 Bond lengths (A) and angles (deg) with estimated standard uncertainties in parentheses.

 N_A:1^a -       Distance        Angles
 CA_A:1^a  1.5015 (0.0105) 
                 N_A:1^a        

 CA_A:1^a -      Distance        Angles
 C_A:1^a   1.4980 (0.0083) 
 N_A:1^a   1.5015 (0.0105)  106.18 (0.62)
 CB_A:1^a  1.5423 (0.0088)  109.16 (0.66) 108.38 (0.63)
                 CA_A:1^a        C_A:1^a       N_A:1^a      

 CB_A:1^a -      Distance        Angles
 OG1_A:1^a 1.4344 (0.0073) 
 CG2_A:1^a 1.4948 (0.0119)  108.08 (0.72)
 CA_A:1^a  1.5423 (0.0088)  107.53 (0.61) 113.44 (0.65)
                 CB_A:1^a        OG1_A:1^a     CG2_A:1^a    

 CG2_A:1^a -     Distance        Angles
 CB_A:1^a  1.4948 (0.0119) 
                 CG2_A:1^a      

 OG1_A:1^a -     Distance        Angles
 CB_A:1^a  1.4344 (0.0073) 
                 OG1_A:1^a      

 C_A:1^a -       Distance        Angles
 O_A:1^a   1.2231 (0.0107) 
 N_A:2^a   1.3275 (0.0097)  125.16 (0.79)
 CA_A:1^a  1.4980 (0.0083)  121.22 (0.77) 113.61 (0.77)
                 C_A:1^a         O_A:1^a       N_A:2^a      

 O_A:1^a -       Distance        Angles
 C_A:1^a   1.2231 (0.0107) 
                 O_A:1^a        

 CG2_A:1^b -     Distance        Angles
 CB_A:1^b  1.5260 (0.0167) 
                 CG2_A:1^b      

 CA_A:1^b -      Distance        Angles
 N_A:1^b   1.4462 (0.0143) 
 CB_A:1^b  1.5143 (0.0142)  113.47 (1.02)
 C_A:1^b   1.5496 (0.0134)  112.11 (0.96) 110.11 (0.92)
                 CA_A:1^b        N_A:1^b       CB_A:1^b     

 N_A:1^b -       Distance        Angles
 CA_A:1^b  1.4462 (0.0143) 
                 N_A:1^b        

 C_A:1^b -       Distance        Angles
 O_A:1^b   1.2687 (0.0169) 
 N_A:2^b   1.3002 (0.0150)  120.31 (1.64)
 CA_A:1^b  1.5496 (0.0134)  115.56 (1.29) 124.02 (1.58)
                 C_A:1^b         O_A:1^b       N_A:2^b      

 O_A:1^b -       Distance        Angles
 C_A:1^b   1.2687 (0.0169) 
                 O_A:1^b        

 CB_A:1^b -      Distance        Angles
 OG1_A:1^b 1.4438 (0.0161) 
 CA_A:1^b  1.5143 (0.0142)  109.96 (1.11)
 CG2_A:1^b 1.5260 (0.0167)  106.08 (1.04) 111.93 (1.09)
                 CB_A:1^b        OG1_A:1^b     CA_A:1^b     

 OG1_A:1^b -     Distance        Angles
 CB_A:1^b  1.4438 (0.0161) 
                 OG1_A:1^b      

 N_A:2^a -       Distance        Angles
 C_A:1^a   1.3275 (0.0097) 
 CA_A:2^a  1.4887 (0.0082)  116.35 (0.77)
                 N_A:2^a         C_A:1^a      

 O_A:2^a -       Distance        Angles
 C_A:2^a   1.2135 (0.0097) 
                 O_A:2^a        

 C_A:2^a -       Distance        Angles
 O_A:2^a   1.2135 (0.0096) 
 N_A:3     1.3495 (0.0061)  123.11 (0.92)
 CA_A:2^a  1.5142 (0.0092)  124.06 (0.79) 112.72 (0.64)
                 C_A:2^a         O_A:2^a       N_A:3        

 OG1_A:2^a -     Distance        Angles
 CB_A:2^a  1.4296 (0.0122) 
                 OG1_A:2^a      

 CB_A:2^a -      Distance        Angles
 OG1_A:2^a 1.4296 (0.0122) 
 CG2_A:2^a 1.4902 (0.0112)  111.04 (0.78)
 CA_A:2^a  1.5239 (0.0090)  107.57 (0.69) 111.94 (0.76)
                 CB_A:2^a        OG1_A:2^a     CG2_A:2^a    

 CA_A:2^a -      Distance        Angles
 N_A:2^a   1.4887 (0.0082) 
 C_A:2^a   1.5142 (0.0092)  108.06 (0.61)
 CB_A:2^a  1.5239 (0.0090)  108.99 (0.61) 111.81 (0.54)
                 CA_A:2^a        N_A:2^a       C_A:2^a      

 CG2_A:2^a -     Distance        Angles
 CB_A:2^a  1.4902 (0.0111) 
                 CG2_A:2^a      

 C_A:2^b -       Distance        Angles
 O_A:2^b   1.2308 (0.0156) 
 N_A:3     1.3191 (0.0151)  125.86 (1.56)
 CA_A:2^b  1.5652 (0.0141)  118.53 (1.29) 115.54 (1.35)
                 C_A:2^b         O_A:2^b       N_A:3        

 O_A:2^b -       Distance        Angles
 C_A:2^b   1.2308 (0.0156) 
                 O_A:2^b        

 CG2_A:2^b -     Distance        Angles
 CB_A:2^b  1.5456 (0.0153) 
                 CG2_A:2^b      

 OG1_A:2^b -     Distance        Angles
 CB_A:2^b  1.4162 (0.0146) 
                 OG1_A:2^b      

 CA_A:2^b -      Distance        Angles
 N_A:2^b   1.4184 (0.0137) 
 CB_A:2^b  1.5378 (0.0133)  114.53 (1.07)
 C_A:2^b   1.5652 (0.0141)  109.99 (1.01) 107.16 (0.88)
                 CA_A:2^b        N_A:2^b       CB_A:2^b     

 CB_A:2^b -      Distance        Angles
 OG1_A:2^b 1.4162 (0.0147) 
 CA_A:2^b  1.5378 (0.0133)  110.09 (1.08)
 CG2_A:2^b 1.5456 (0.0153)  105.97 (1.02) 111.51 (0.99)
                 CB_A:2^b        OG1_A:2^b     CA_A:2^b     

 N_A:2^b -       Distance        Angles
 C_A:1^b   1.3002 (0.0150) 
 CA_A:2^b  1.4184 (0.0137)  132.45 (1.82)
                 N_A:2^b         C_A:1^b      

 C_A:3 -         Distance        Angles
 O_A:3     1.2195 (0.0036) 
 N_A:4     1.3278 (0.0034)  123.02 (0.22)
 CA_A:3    1.5380 (0.0033)  119.42 (0.23) 117.54 (0.22)
                 C_A:3           O_A:3         N_A:4        

 SG_A:3 -        Distance        Angles
 CB_A:3    1.8089 (0.0030) 
 SG_A:40   2.0089 (0.0023)  103.68 (0.14)
                 SG_A:3          CB_A:3       

 O_A:3 -         Distance        Angles
 C_A:3     1.2195 (0.0036) 
                 O_A:3          

 N_A:3 -         Distance        Angles
 C_A:2^b   1.3191 (0.0151) 
 C_A:2^a   1.3495 (0.0062)    4.30 (1.18)
 CA_A:3    1.4517 (0.0036)  119.40 (0.86) 123.66 (0.46)
                 N_A:3           C_A:2^b       C_A:2^a      

 CA_A:3 -        Distance        Angles
 N_A:3     1.4517 (0.0036) 
 CB_A:3    1.5287 (0.0042)  111.65 (0.24)
 C_A:3     1.5380 (0.0033)  106.65 (0.21) 108.03 (0.21)
                 CA_A:3          N_A:3         CB_A:3       

 CB_A:3 -        Distance        Angles
 CA_A:3    1.5287 (0.0042) 
 SG_A:3    1.8089 (0.0030)  114.97 (0.19)
                 CB_A:3          CA_A:3       

 N_A:4 -         Distance        Angles
 C_A:3     1.3278 (0.0034) 
 CA_A:4    1.4624 (0.0029)  119.64 (0.20)
                 N_A:4           C_A:3        

 C_A:4 -         Distance        Angles
 O_A:4     1.2243 (0.0032) 
 N_A:5     1.3503 (0.0028)  122.44 (0.21)
 CA_A:4    1.5287 (0.0033)  121.76 (0.19) 115.77 (0.20)
                 C_A:4           O_A:4         N_A:5        

 O_A:4 -         Distance        Angles
 C_A:4     1.2243 (0.0032) 
                 O_A:4          

 SG_A:4 -        Distance        Angles
 CB_A:4    1.8190 (0.0031) 
 SG_A:32   2.0373 (0.0019)  103.96 (0.10)
                 SG_A:4          CB_A:4       

 CA_A:4 -        Distance        Angles
 N_A:4     1.4624 (0.0029) 
 C_A:4     1.5287 (0.0033)  110.21 (0.18)
 CB_A:4    1.5302 (0.0034)  110.50 (0.18) 110.38 (0.19)
                 CA_A:4          N_A:4         C_A:4        

 CB_A:4 -        Distance        Angles
 CA_A:4    1.5302 (0.0034) 
 SG_A:4    1.8190 (0.0031)  113.44 (0.17)
                 CB_A:4          CA_A:4       

 N_A:5 -         Distance        Angles
 C_A:4     1.3503 (0.0028) 
 CA_A:5    1.4738 (0.0032)  119.72 (0.20)
 CD_A:5    1.4762 (0.0033)  126.72 (0.20) 111.94 (0.19)
                 N_A:5           C_A:4         CA_A:5       

 O_A:5 -         Distance        Angles
 C_A:5     1.2263 (0.0035) 
                 O_A:5          

 C_A:5 -         Distance        Angles
 O_A:5     1.2263 (0.0035) 
 N_A:6     1.3337 (0.0034)  122.93 (0.27)
 CA_A:5    1.5116 (0.0039)  118.39 (0.24) 118.65 (0.22)
                 C_A:5           O_A:5         N_A:6        

 CA_A:5 -        Distance        Angles
 N_A:5     1.4738 (0.0032) 
 C_A:5     1.5116 (0.0039)  114.31 (0.20)
 CB_A:5    1.5348 (0.0041)  102.64 (0.22) 111.16 (0.21)
                 CA_A:5          N_A:5         C_A:5        

 CB_A:5 -        Distance        Angles
 CG_A:5    1.5119 (0.0055) 
 CA_A:5    1.5348 (0.0041)  104.15 (0.22)
                 CB_A:5          CG_A:5       

 CG_A:5 -        Distance        Angles
 CB_A:5    1.5119 (0.0055) 
 CD_A:5    1.5241 (0.0036)  102.77 (0.25)
                 CG_A:5          CB_A:5       

 CD_A:5 -        Distance        Angles
 N_A:5     1.4762 (0.0033) 
 CG_A:5    1.5241 (0.0036)  102.78 (0.23)
                 CD_A:5          N_A:5        

 N_A:6 -         Distance        Angles
 C_A:5     1.3337 (0.0034) 
 CA_A:6    1.4437 (0.0034)  122.69 (0.21)
                 N_A:6           C_A:5        

 O_A:6 -         Distance        Angles
 C_A:6     1.2322 (0.0031) 
                 O_A:6          

 C_A:6 -         Distance        Angles
 O_A:6     1.2322 (0.0031) 
 N_A:7^a   1.3020 (0.0087)  123.66 (0.51)
 N_A:7^b   1.3664 (0.0133)  123.45 (0.78)   3.42 (2.02)
 CA_A:6    1.5296 (0.0034)  121.26 (0.23) 115.08 (0.51) 115.11 (0.82)
                 C_A:6           O_A:6         N_A:7^a       N_A:7^b      

 CA_A:6 -        Distance        Angles
 N_A:6     1.4437 (0.0034) 
 CB_A:6    1.5241 (0.0037)  112.65 (0.21)
 C_A:6     1.5296 (0.0034)  107.80 (0.18) 110.21 (0.21)
                 CA_A:6          N_A:6         CB_A:6       

 OG_A:6 -        Distance        Angles
 CB_A:6    1.4032 (0.0044) 
                 OG_A:6         

 CB_A:6 -        Distance        Angles
 OG_A:6    1.4032 (0.0044) 
 CA_A:6    1.5241 (0.0037)  108.83 (0.22)
                 CB_A:6          OG_A:6       

 C_A:7^a -       Distance        Angles
 O_A:7^a   1.2526 (0.0111) 
 N_A:8^a   1.3512 (0.0144)  115.87 (1.27)
 CA_A:7^a  1.5025 (0.0098)  120.57 (1.05) 123.56 (1.21)
                 C_A:7^a         O_A:7^a       N_A:8^a      

 O_A:7^a -       Distance        Angles
 C_A:7^a   1.2526 (0.0111) 
                 O_A:7^a        

 CA_A:7^a -      Distance        Angles
 N_A:7^a   1.4608 (0.0089) 
 C_A:7^a   1.5025 (0.0099)  112.66 (0.61)
 CB_A:7^a  1.5550 (0.0090)  108.15 (0.58) 111.94 (0.68)
                 CA_A:7^a        N_A:7^a       C_A:7^a      

 N_A:7^a -       Distance        Angles
 C_A:6     1.3020 (0.0087) 
 CA_A:7^a  1.4608 (0.0089)  120.35 (0.77)
                 N_A:7^a         C_A:6        

 CG1_A:7^a -     Distance        Angles
 CD1_A:7^a 1.5304 (0.0108) 
 CB_A:7^a  1.5462 (0.0119)  111.42 (0.91)
                 CG1_A:7^a       CD1_A:7^a    

 CG2_A:7^a -     Distance        Angles
 CB_A:7^a  1.4934 (0.0098) 
                 CG2_A:7^a      

 CD1_A:7^a -     Distance        Angles
 CG1_A:7^a 1.5304 (0.0108) 
                 CD1_A:7^a      

 CB_A:7^a -      Distance        Angles
 CG2_A:7^a 1.4934 (0.0097) 
 CG1_A:7^a 1.5462 (0.0119)  112.07 (0.80)
 CA_A:7^a  1.5550 (0.0090)  111.07 (0.66) 109.36 (0.74)
                 CB_A:7^a        CG2_A:7^a     CG1_A:7^a    

 CA_A:7^b -      Distance        Angles
 N_A:7^b   1.4640 (0.0135) 
 C_A:7^b   1.5177 (0.0131)  111.37 (0.96)
 CB_A:7^b  1.5309 (0.0131)  110.84 (0.93) 111.34 (0.92)
                 CA_A:7^b        N_A:7^b       C_A:7^b      

 CG1_A:7^b -     Distance        Angles
 CD1_A:7^b 1.5218 (0.0199) 
 CB_A:7^b  1.5423 (0.0145)  112.58 (1.46)
                 CG1_A:7^b       CD1_A:7^b    

 CG2_A:7^b -     Distance        Angles
 CB_A:7^b  1.5103 (0.0118) 
                 CG2_A:7^b      

 N_A:7^b -       Distance        Angles
 C_A:6     1.3664 (0.0133) 
 CA_A:7^b  1.4640 (0.0135)  123.00 (1.30)
                 N_A:7^b         C_A:6        

 C_A:7^b -       Distance        Angles
 O_A:7^b   1.2243 (0.0150) 
 N_A:8^b   1.3409 (0.0167)  125.39 (1.55)
 CA_A:7^b  1.5177 (0.0131)  121.53 (1.27) 113.08 (1.43)
                 C_A:7^b         O_A:7^b       N_A:8^b      

 O_A:7^b -       Distance        Angles
 C_A:7^b   1.2243 (0.0150) 
                 O_A:7^b        

 CB_A:7^b -      Distance        Angles
 CG2_A:7^b 1.5103 (0.0118) 
 CA_A:7^b  1.5309 (0.0131)  111.70 (0.91)
 CG1_A:7^b 1.5423 (0.0145)  110.86 (0.94) 112.86 (0.99)
                 CB_A:7^b        CG2_A:7^b     CA_A:7^b     

 CD1_A:7^b -     Distance        Angles
 CG1_A:7^b 1.5218 (0.0199) 
                 CD1_A:7^b      

 O_A:8^a -       Distance        Angles
 C_A:8^a   1.2432 (0.0147) 
                 O_A:8^a        

 CB_A:8^a -      Distance        Angles
 CG1_A:8^a 1.5224 (0.0146) 
 CG2_A:8^a 1.5422 (0.0151)  111.38 (1.27)
 CA_A:8^a  1.5605 (0.0137)  112.13 (1.05) 107.03 (1.18)
                 CB_A:8^a        CG1_A:8^a     CG2_A:8^a    

 CA_A:8^a -      Distance        Angles
 N_A:8^a   1.4478 (0.0146) 
 C_A:8^a   1.5293 (0.0134)  109.65 (1.34)
 CB_A:8^a  1.5605 (0.0137)  113.33 (1.14) 112.69 (1.24)
                 CA_A:8^a        N_A:8^a       C_A:8^a      

 CG1_A:8^a -     Distance        Angles
 CB_A:8^a  1.5224 (0.0146) 
                 CG1_A:8^a      

 C_A:8^a -       Distance        Angles
 O_A:8^a   1.2432 (0.0147) 
 N_A:9     1.3068 (0.0135)  123.39 (1.86)
 CA_A:8^a  1.5293 (0.0134)  121.17 (1.97) 115.41 (1.23)
                 C_A:8^a         O_A:8^a       N_A:9        

 N_A:8^a -       Distance        Angles
 C_A:7^a   1.3512 (0.0145) 
 CA_A:8^a  1.4478 (0.0146)  128.95 (1.63)
                 N_A:8^a         C_A:7^a      

 CG2_A:8^a -     Distance        Angles
 CB_A:8^a  1.5422 (0.0150) 
                 CG2_A:8^a      

 CA_A:8^b -      Distance        Angles
 N_A:8^b   1.4734 (0.0156) 
 C_A:8^b   1.5164 (0.0152)  110.38 (1.52)
 CB_A:8^b  1.5435 (0.0151)  110.38 (1.35) 112.79 (1.35)
                 CA_A:8^b        N_A:8^b       C_A:8^b      

 CB_A:8^b -      Distance        Angles
 CG2_A:8^b 1.4971 (0.0160) 
 CG1_A:8^b 1.5364 (0.0171)  109.24 (1.56)
 CA_A:8^b  1.5435 (0.0152)  111.19 (1.39) 113.82 (1.21)
                 CB_A:8^b        CG2_A:8^b     CG1_A:8^b    

 C_A:8^b -       Distance        Angles
 O_A:8^b   1.2344 (0.0159) 
 N_A:9     1.3734 (0.0141)  119.68 (1.84)
 CA_A:8^b  1.5164 (0.0152)  121.63 (1.93) 118.68 (1.41)
                 C_A:8^b         O_A:8^b       N_A:9        

 O_A:8^b -       Distance        Angles
 C_A:8^b   1.2344 (0.0159) 
                 O_A:8^b        

 CG2_A:8^b -     Distance        Angles
 CB_A:8^b  1.4971 (0.0160) 
                 CG2_A:8^b      

 N_A:8^b -       Distance        Angles
 C_A:7^b   1.3409 (0.0167) 
 CA_A:8^b  1.4734 (0.0156)  113.34 (1.68)
                 N_A:8^b         C_A:7^b      

 CG1_A:8^b -     Distance        Angles
 CB_A:8^b  1.5364 (0.0171) 
                 CG1_A:8^b      

 CA_A:8^c -      Distance        Angles
 N_A:8^c   1.4558 (0.0184) 
 C_A:8^c   1.5178 (0.0172)  110.01 (2.14)
 CB_A:8^c  1.5522 (0.0172)  109.95 (2.13) 111.54 (1.90)
                 CA_A:8^c        N_A:8^c       C_A:8^c      

 CB_A:8^c -      Distance        Angles
 CG1_A:8^c 1.5095 (0.0187) 
 CG2_A:8^c 1.5336 (0.0186)  114.40 (2.26)
 CA_A:8^c  1.5522 (0.0172)  113.48 (2.13) 107.55 (1.81)
                 CB_A:8^c        CG1_A:8^c     CG2_A:8^c    

 CG2_A:8^c -     Distance        Angles
 CB_A:8^c  1.5336 (0.0186) 
                 CG2_A:8^c      

 CG1_A:8^c -     Distance        Angles
 CB_A:8^c  1.5095 (0.0187) 
                 CG1_A:8^c      

 O_A:8^c -       Distance        Angles
 C_A:8^c   1.2536 (0.0189) 
                 O_A:8^c        

 C_A:8^c -       Distance        Angles
 O_A:8^c   1.2536 (0.0189) 
 N_A:9     1.3263 (0.0176)  119.81 (2.61)
 CA_A:8^c  1.5178 (0.0172)  114.98 (2.59) 125.21 (2.04)
                 C_A:8^c         O_A:8^c       N_A:9        

 N_A:8^c -       Distance        Angles
 CA_A:8^c  1.4558 (0.0184) 
                 N_A:8^c        

 C_A:9 -         Distance        Angles
 O_A:9     1.2284 (0.0031) 
 N_A:10^a  1.3053 (0.0126)  122.03 (0.95)
 N_A:10^b  1.3591 (0.0112)  123.98 (0.88)   3.45 (2.14)
 CA_A:9    1.5396 (0.0034)  119.65 (0.24) 118.28 (0.95) 116.37 (0.86)
                 C_A:9           O_A:9         N_A:10^a      N_A:10^b     

 O_A:9 -         Distance        Angles
 C_A:9     1.2284 (0.0031) 
                 O_A:9          

 N_A:9 -         Distance        Angles
 C_A:8^a   1.3068 (0.0135) 
 C_A:8^c   1.3263 (0.0176)    6.63 (2.09)
 C_A:8^b   1.3734 (0.0141)    4.27 (1.89)   5.47 (1.77)
 CA_A:9    1.4545 (0.0038)  120.22 (0.72) 123.59 (1.38) 118.47 (0.83)
                 N_A:9           C_A:8^a       C_A:8^c       C_A:8^b      

 CA_A:9 -        Distance        Angles
 N_A:9     1.4545 (0.0038) 
 CB_A:9    1.5229 (0.0041)  110.80 (0.22)
 C_A:9     1.5396 (0.0034)  110.61 (0.22) 111.18 (0.23)
                 CA_A:9          N_A:9         CB_A:9       

 CB_A:9 -        Distance        Angles
 CA_A:9    1.5229 (0.0041) 
                 CB_A:9         

 N_A:10^a -      Distance        Angles
 C_A:9     1.3053 (0.0127) 
 CA_A:10^a 1.4629 (0.0238)  123.84 (1.57)
                 N_A:10^a        C_A:9        

 CA_A:10^a -     Distance        Angles
 N_A:10^a  1.4629 (0.0238) 
 CB_A:10^a 1.5158 (0.0259)  111.43 (1.67)
 C_A:10^a  1.5324 (0.0348)  110.83 (1.50) 110.90 (1.49)
                 CA_A:10^a       N_A:10^a      CB_A:10^a    

 CB_A:10^a -     Distance        Angles
 CA_A:10^a 1.5158 (0.0259) 
 CG_A:10^a 1.5439 (0.0230)  112.18 (1.64)
                 CB_A:10^a       CA_A:10^a    

 CD_A:10^a -     Distance        Angles
 NE_A:10^a 1.4256 (0.0280) 
 CG_A:10^a 1.4820 (0.0256)  116.57 (2.13)
                 CD_A:10^a       NE_A:10^a    

 NE_A:10^a -     Distance        Angles
 CZ_A:10^a 1.2727 (0.0263) 
 CD_A:10^a 1.4256 (0.0280)  132.03 (2.40)
                 NE_A:10^a       CZ_A:10^a    

 CG_A:10^a -     Distance        Angles
 CD_A:10^a 1.4820 (0.0257) 
 CB_A:10^a 1.5439 (0.0230)  115.70 (1.56)
                 CG_A:10^a       CD_A:10^a    

 CZ_A:10^a -     Distance        Angles
 NE_A:10^a 1.2727 (0.0263) 
 NH2_A:10^ 1.3212 (0.0239)  122.37 (2.02)
 NH1_A:10^ 1.3307 (0.0235)  121.65 (1.87) 115.96 (1.65)
                 CZ_A:10^a       NE_A:10^a     NH2_A:10^a   

 NH1_A:10^a -    Distance        Angles
 CZ_A:10^a 1.3307 (0.0234) 
                 NH1_A:10^a     

 NH2_A:10^a -    Distance        Angles
 CZ_A:10^a 1.3212 (0.0239) 
                 NH2_A:10^a     

 C_A:10^a -      Distance        Angles
 O_A:10^a  1.2462 (0.0400) 
 N_A:11    1.3557 (0.0123)  122.80 (3.29)
 CA_A:10^a 1.5324 (0.0348)  119.89 (2.80) 117.27 (1.97)
                 C_A:10^a        O_A:10^a      N_A:11       

 O_A:10^a -      Distance        Angles
 C_A:10^a  1.2462 (0.0400) 
                 O_A:10^a       

 N_A:10^b -      Distance        Angles
 C_A:9     1.3591 (0.0112) 
 CA_A:10^b 1.4709 (0.0199)  117.22 (1.47)
                 N_A:10^b        C_A:9        

 C_A:10^b -      Distance        Angles
 O_A:10^b  1.2222 (0.0480) 
 N_A:11    1.3162 (0.0149)  121.35 (3.70)
 CA_A:10^b 1.5291 (0.0365)  121.37 (3.10) 117.28 (2.38)
                 C_A:10^b        O_A:10^b      N_A:11       

 O_A:10^b -      Distance        Angles
 C_A:10^b  1.2222 (0.0480) 
                 O_A:10^b       

 CA_A:10^b -     Distance        Angles
 N_A:10^b  1.4709 (0.0198) 
 C_A:10^b  1.5291 (0.0365)  112.21 (1.51)
 CB_A:10^b 1.5311 (0.0292)  109.57 (1.65) 109.50 (1.47)
                 CA_A:10^b       N_A:10^b      C_A:10^b     

 CB_A:10^b -     Distance        Angles
 CG_A:10^b 1.5099 (0.0275) 
 CA_A:10^b 1.5311 (0.0292)  116.43 (2.00)
                 CB_A:10^b       CG_A:10^b    

 CD_A:10^b -     Distance        Angles
 CG_A:10^b 1.4993 (0.0262) 
 NE_A:10^b 1.5020 (0.0297)  104.97 (1.81)
                 CD_A:10^b       CG_A:10^b    

 CG_A:10^b -     Distance        Angles
 CD_A:10^b 1.4993 (0.0262) 
 CB_A:10^b 1.5099 (0.0275)  116.42 (1.75)
                 CG_A:10^b       CD_A:10^b    

 NE_A:10^b -     Distance        Angles
 CZ_A:10^b 1.3545 (0.0307) 
 CD_A:10^b 1.5020 (0.0297)  120.17 (2.31)
                 NE_A:10^b       CZ_A:10^b    

 CZ_A:10^b -     Distance        Angles
 NH1_A:10^ 1.3146 (0.0376) 
 NH2_A:10^ 1.3402 (0.0332)  124.96 (2.50)
 NE_A:10^b 1.3545 (0.0307)  117.94 (2.53) 117.09 (2.68)
                 CZ_A:10^b       NH1_A:10^b    NH2_A:10^b   

 NH1_A:10^b -    Distance        Angles
 CZ_A:10^b 1.3146 (0.0376) 
                 NH1_A:10^b     

 NH2_A:10^b -    Distance        Angles
 CZ_A:10^b 1.3402 (0.0332) 
                 NH2_A:10^b     

 N_A:11 -        Distance        Angles
 C_A:10^b  1.3162 (0.0150) 
 C_A:10^a  1.3557 (0.0123)    1.50 (2.44)
 CA_A:11   1.4558 (0.0031)  118.14 (1.51) 119.48 (1.24)
                 N_A:11          C_A:10^b      C_A:10^a     

 CA_A:11 -       Distance        Angles
 N_A:11    1.4558 (0.0031) 
 CB_A:11   1.5205 (0.0039)  110.19 (0.22)
 C_A:11    1.5395 (0.0037)  110.53 (0.21) 110.26 (0.23)
                 CA_A:11         N_A:11        CB_A:11      

 CB_A:11 -       Distance        Angles
 OG_A:11   1.4164 (0.0046) 
 CA_A:11   1.5205 (0.0039)  109.13 (0.29)
                 CB_A:11         OG_A:11      

 OG_A:11 -       Distance        Angles
 CB_A:11   1.4164 (0.0046) 
                 OG_A:11        

 C_A:11 -        Distance        Angles
 O_A:11    1.2390 (0.0031) 
 N_A:12    1.3352 (0.0036)  122.58 (0.25)
 CA_A:11   1.5395 (0.0037)  120.76 (0.24) 116.66 (0.20)
                 C_A:11          O_A:11        N_A:12       

 O_A:11 -        Distance        Angles
 C_A:11    1.2390 (0.0031) 
                 O_A:11         

 N_A:12 -        Distance        Angles
 C_A:11    1.3352 (0.0036) 
 CA_A:12   1.4543 (0.0035)  120.33 (0.20)
                 N_A:12          C_A:11       

 CA_A:12 -       Distance        Angles
 N_A:12    1.4543 (0.0035) 
 CB_A:12   1.5223 (0.0040)  110.21 (0.21)
 C_A:12    1.5397 (0.0033)  111.38 (0.20) 110.15 (0.24)
                 CA_A:12         N_A:12        CB_A:12      

 ND2_A:12 -      Distance        Angles
 CG_A:12   1.3257 (0.0081) 
                 ND2_A:12       

 OD1_A:12 -      Distance        Angles
 CG_A:12   1.2085 (0.0092) 
                 OD1_A:12       

 CB_A:12 -       Distance        Angles
 CG_A:12   1.5081 (0.0052) 
 CA_A:12   1.5223 (0.0040)  112.41 (0.37)
                 CB_A:12         CG_A:12      

 C_A:12 -        Distance        Angles
 O_A:12    1.2302 (0.0031) 
 N_A:13^b  1.3024 (0.0132)  123.31 (1.04)
 N_A:13^a  1.3456 (0.0131)  122.59 (1.03)   1.06 (3.94)
 CA_A:12   1.5397 (0.0033)  119.79 (0.23) 116.90 (1.04) 117.62 (1.01)
                 C_A:12          O_A:12        N_A:13^b      N_A:13^a     

 O_A:12 -        Distance        Angles
 C_A:12    1.2302 (0.0031) 
                 O_A:12         

 CG_A:12 -       Distance        Angles
 OD1_A:12  1.2085 (0.0092) 
 ND2_A:12  1.3257 (0.0081)  123.59 (0.53)
 CB_A:12   1.5081 (0.0052)  121.80 (0.48) 114.60 (0.61)
                 CG_A:12         OD1_A:12      ND2_A:12     

 N_A:13^a -      Distance        Angles
 C_A:12    1.3456 (0.0131) 
 CA_A:13^a 1.4619 (0.0135)  120.57 (1.55)
                 N_A:13^a        C_A:12       

 O_A:13^a -      Distance        Angles
 C_A:13^a  1.2220 (0.0141) 
                 O_A:13^a       

 C_A:13^a -      Distance        Angles
 O_A:13^a  1.2220 (0.0141) 
 N_A:14    1.3699 (0.0141)  122.10 (1.67)
 CA_A:13^a 1.5271 (0.0135)  121.19 (1.58) 116.70 (1.39)
                 C_A:13^a        O_A:13^a      N_A:14       

 CA_A:13^a -     Distance        Angles
 N_A:13^a  1.4619 (0.0135) 
 C_A:13^a  1.5271 (0.0135)  110.02 (1.56)
 CB_A:13^a 1.5573 (0.0137)  106.92 (1.20) 109.56 (1.32)
                 CA_A:13^a       N_A:13^a      C_A:13^a     

 CB_A:13^a -     Distance        Angles
 CG_A:13^a 1.4876 (0.0147) 
 CA_A:13^a 1.5573 (0.0137)  113.21 (1.26)
                 CB_A:13^a       CG_A:13^a    

 CG_A:13^a -     Distance        Angles
 CD1_A:13^ 1.3467 (0.0151) 
 CD2_A:13^ 1.3964 (0.0139)  116.70 (1.30)
 CB_A:13^a 1.4876 (0.0147)  122.99 (1.67) 120.28 (1.62)
                 CG_A:13^a       CD1_A:13^a    CD2_A:13^a   

 CD2_A:13^a -    Distance        Angles
 CE2_A:13^ 1.3909 (0.0137) 
 CG_A:13^a 1.3964 (0.0139)  121.11 (1.16)
                 CD2_A:13^a      CE2_A:13^a   

 CD1_A:13^a -    Distance        Angles
 CG_A:13^a 1.3467 (0.0151) 
 CE1_A:13^ 1.3949 (0.0162)  124.61 (1.58)
                 CD1_A:13^a      CG_A:13^a    

 CE1_A:13^a -    Distance        Angles
 CZ_A:13^a 1.3699 (0.0175) 
 CD1_A:13^ 1.3949 (0.0162)  116.26 (1.46)
                 CE1_A:13^a      CZ_A:13^a    

 CE2_A:13^a -    Distance        Angles
 CZ_A:13^a 1.3630 (0.0149) 
 CD2_A:13^ 1.3909 (0.0137)  118.80 (1.41)
                 CE2_A:13^a      CZ_A:13^a    

 CZ_A:13^a -     Distance        Angles
 CE2_A:13^ 1.3630 (0.0149) 
 CE1_A:13^ 1.3699 (0.0175)  122.41 (1.59)
                 CZ_A:13^a       CE2_A:13^a   

 N_A:13^b -      Distance        Angles
 C_A:12    1.3024 (0.0132) 
 CA_A:13^b 1.4683 (0.0136)  121.72 (1.57)
                 N_A:13^b        C_A:12       

 CA_A:13^b -     Distance        Angles
 N_A:13^b  1.4683 (0.0136) 
 CB_A:13^b 1.5253 (0.0132)  109.90 (1.19)
 C_A:13^b  1.5429 (0.0129)  110.21 (1.56) 113.71 (1.27)
                 CA_A:13^b       N_A:13^b      CB_A:13^b    

 CB_A:13^b -     Distance        Angles
 CA_A:13^b 1.5253 (0.0132) 
 CG_A:13^b 1.5315 (0.0124)  113.21 (1.10)
                 CB_A:13^b       CA_A:13^b    

 CG_A:13^b -     Distance        Angles
 CD2_A:13^ 1.3616 (0.0148) 
 CD1_A:13^ 1.3720 (0.0148)  117.62 (1.21)
 CB_A:13^b 1.5315 (0.0124)  121.71 (1.54) 120.66 (1.47)
                 CG_A:13^b       CD2_A:13^b    CD1_A:13^b   

 CD1_A:13^b -    Distance        Angles
 CG_A:13^b 1.3720 (0.0148) 
 CE1_A:13^ 1.3911 (0.0156)  120.33 (1.57)
                 CD1_A:13^b      CG_A:13^b    

 CD2_A:13^b -    Distance        Angles
 CG_A:13^b 1.3616 (0.0148) 
 CE2_A:13^ 1.3739 (0.0149)  123.54 (1.33)
                 CD2_A:13^b      CG_A:13^b    

 CE1_A:13^b -    Distance        Angles
 CZ_A:13^b 1.3776 (0.0175) 
 CD1_A:13^ 1.3911 (0.0156)  120.29 (1.62)
                 CE1_A:13^b      CZ_A:13^b    

 CE2_A:13^b -    Distance        Angles
 CZ_A:13^b 1.3688 (0.0168) 
 CD2_A:13^ 1.3739 (0.0148)  118.42 (1.35)
                 CE2_A:13^b      CZ_A:13^b    

 CZ_A:13^b -     Distance        Angles
 CE2_A:13^ 1.3688 (0.0167) 
 CE1_A:13^ 1.3776 (0.0175)  119.72 (1.40)
                 CZ_A:13^b       CE2_A:13^b   

 C_A:13^b -      Distance        Angles
 O_A:13^b  1.2354 (0.0135) 
 N_A:14    1.2976 (0.0141)  123.99 (1.49)
 CA_A:13^b 1.5429 (0.0129)  119.86 (1.42) 116.16 (1.30)
                 C_A:13^b        O_A:13^b      N_A:14       

 O_A:13^b -      Distance        Angles
 C_A:13^b  1.2354 (0.0135) 
                 O_A:13^b       

 N_A:14 -        Distance        Angles
 C_A:13^b  1.2976 (0.0141) 
 C_A:13^a  1.3699 (0.0141)    0.57 (1.68)
 CA_A:14   1.4578 (0.0031)  119.24 (0.77) 119.76 (0.80)
                 N_A:14          C_A:13^b      C_A:13^a     

 CA_A:14 -       Distance        Angles
 N_A:14    1.4578 (0.0031) 
 CB_A:14   1.5163 (0.0044)  111.09 (0.21)
 C_A:14    1.5285 (0.0033)  111.67 (0.20) 111.46 (0.24)
                 CA_A:14         N_A:14        CB_A:14      

 CB_A:14 -       Distance        Angles
 CA_A:14   1.5163 (0.0044) 
 CG_A:14   1.5398 (0.0051)  110.92 (0.32)
                 CB_A:14         CA_A:14      

 CG_A:14 -       Distance        Angles
 OD1_A:14  1.2158 (0.0071) 
 ND2_A:14  1.3171 (0.0069)  124.23 (0.44)
 CB_A:14   1.5398 (0.0051)  120.57 (0.40) 115.10 (0.46)
                 CG_A:14         OD1_A:14      ND2_A:14     

 OD1_A:14 -      Distance        Angles
 CG_A:14   1.2158 (0.0071) 
                 OD1_A:14       

 ND2_A:14 -      Distance        Angles
 CG_A:14   1.3171 (0.0069) 
                 ND2_A:14       

 O_A:14 -        Distance        Angles
 C_A:14    1.2284 (0.0030) 
                 O_A:14         

 C_A:14 -        Distance        Angles
 O_A:14    1.2284 (0.0030) 
 N_A:15    1.3389 (0.0031)  121.89 (0.22)
 CA_A:14   1.5285 (0.0033)  119.99 (0.22) 118.11 (0.20)
                 C_A:14          O_A:14        N_A:15       

 N_A:15 -        Distance        Angles
 C_A:14    1.3389 (0.0031) 
 CA_A:15   1.4604 (0.0030)  119.74 (0.19)
                 N_A:15          C_A:14       

 CA_A:15 -       Distance        Angles
 N_A:15    1.4604 (0.0030) 
 C_A:15    1.5350 (0.0035)  110.88 (0.19)
 CB_A:15   1.5352 (0.0034)  110.77 (0.19) 112.45 (0.21)
                 CA_A:15         N_A:15        C_A:15       

 CB_A:15 -       Distance        Angles
 CG2_A:15  1.5214 (0.0049) 
 CG1_A:15  1.5231 (0.0046)  110.57 (0.29)
 CA_A:15   1.5352 (0.0034)  109.51 (0.28) 111.01 (0.24)
                 CB_A:15         CG2_A:15      CG1_A:15     

 CG1_A:15 -      Distance        Angles
 CB_A:15   1.5231 (0.0046) 
                 CG1_A:15       

 CG2_A:15 -      Distance        Angles
 CB_A:15   1.5214 (0.0049) 
                 CG2_A:15       

 C_A:15 -        Distance        Angles
 O_A:15    1.2298 (0.0030) 
 N_A:16    1.3417 (0.0034)  122.14 (0.23)
 CA_A:15   1.5350 (0.0035)  120.93 (0.23) 116.92 (0.20)
                 C_A:15          O_A:15        N_A:16       

 O_A:15 -        Distance        Angles
 C_A:15    1.2298 (0.0030) 
                 O_A:15         

 N_A:16 -        Distance        Angles
 C_A:15    1.3417 (0.0034) 
 CA_A:16   1.4551 (0.0034)  121.06 (0.19)
                 N_A:16          C_A:15       

 CB_A:16 -       Distance        Angles
 CA_A:16   1.5366 (0.0037) 
 SG_A:16   1.8175 (0.0034)  115.03 (0.19)
                 CB_A:16         CA_A:16      

 SG_A:16 -       Distance        Angles
 CB_A:16   1.8175 (0.0034) 
 SG_A:26   2.0349 (0.0021)  104.13 (0.12)
                 SG_A:16         CB_A:16      

 CA_A:16 -       Distance        Angles
 N_A:16    1.4551 (0.0034) 
 CB_A:16   1.5366 (0.0037)  107.33 (0.20)
 C_A:16    1.5368 (0.0033)  112.14 (0.19) 112.08 (0.21)
                 CA_A:16         N_A:16        CB_A:16      

 O_A:16 -        Distance        Angles
 C_A:16    1.2222 (0.0030) 
                 O_A:16         

 C_A:16 -        Distance        Angles
 O_A:16    1.2222 (0.0030) 
 N_A:17    1.3354 (0.0033)  123.18 (0.21)
 CA_A:16   1.5368 (0.0033)  120.57 (0.22) 116.25 (0.19)
                 C_A:16          O_A:16        N_A:17       

 N_A:17 -        Distance        Angles
 C_A:16    1.3354 (0.0033) 
 CA_A:17   1.4540 (0.0030)  121.17 (0.19)
                 N_A:17          C_A:16       

 CA_A:17 -       Distance        Angles
 N_A:17    1.4540 (0.0030) 
 C_A:17    1.5282 (0.0035)  113.38 (0.19)
 CB_A:17   1.5353 (0.0036)  109.97 (0.19) 109.74 (0.21)
                 CA_A:17         N_A:17        C_A:17       

 CB_A:17 -       Distance        Angles
 CG_A:17   1.5238 (0.0040) 
 CA_A:17   1.5353 (0.0036)  112.72 (0.23)
                 CB_A:17         CG_A:17      

 CG_A:17 -       Distance        Angles
 CD_A:17   1.5150 (0.0042) 
 CB_A:17   1.5238 (0.0040)  113.37 (0.23)
                 CG_A:17         CD_A:17      

 CD_A:17 -       Distance        Angles
 NE_A:17   1.4625 (0.0037) 
 CG_A:17   1.5150 (0.0042)  110.07 (0.27)
                 CD_A:17         NE_A:17      

 NE_A:17 -       Distance        Angles
 CZ_A:17   1.3244 (0.0041) 
 CD_A:17   1.4625 (0.0037)  125.77 (0.28)
                 NE_A:17         CZ_A:17      

 CZ_A:17 -       Distance        Angles
 NH1_A:17  1.3089 (0.0048) 
 NE_A:17   1.3244 (0.0041)  121.72 (0.27)
 NH2_A:17  1.3311 (0.0040)  118.98 (0.31) 119.28 (0.31)
                 CZ_A:17         NH1_A:17      NE_A:17      

 NH2_A:17 -      Distance        Angles
 CZ_A:17   1.3311 (0.0040) 
                 NH2_A:17       

 NH1_A:17 -      Distance        Angles
 CZ_A:17   1.3089 (0.0048) 
                 NH1_A:17       

 C_A:17 -        Distance        Angles
 O_A:17    1.2380 (0.0031) 
 N_A:18    1.3313 (0.0035)  121.53 (0.24)
 CA_A:17   1.5282 (0.0035)  118.60 (0.23) 119.86 (0.20)
                 C_A:17          O_A:17        N_A:18       

 O_A:17 -        Distance        Angles
 C_A:17    1.2380 (0.0031) 
                 O_A:17         

 N_A:18 -        Distance        Angles
 C_A:17    1.3313 (0.0035) 
 CA_A:18   1.4684 (0.0034)  120.69 (0.20)
                 N_A:18          C_A:17       

 CA_A:18 -       Distance        Angles
 N_A:18    1.4684 (0.0034) 
 C_A:18    1.5282 (0.0039)  113.65 (0.23)
 CB_A:18   1.5366 (0.0041)  111.89 (0.22) 109.66 (0.24)
                 CA_A:18         N_A:18        C_A:18       

 CB_A:18 -       Distance        Angles
 CG_A:18   1.5147 (0.0055) 
 CA_A:18   1.5366 (0.0041)  115.15 (0.33)
                 CB_A:18         CG_A:18      

 CD1_A:18 -      Distance        Angles
 CG_A:18   1.5272 (0.0071) 
                 CD1_A:18       

 CD2_A:18 -      Distance        Angles
 CG_A:18   1.5204 (0.0093) 
                 CD2_A:18       

 C_A:18 -        Distance        Angles
 O_A:18    1.2443 (0.0031) 
 N_A:19^b  1.3273 (0.0136)  124.84 (0.98)
 N_A:19^a  1.3389 (0.0074)  118.35 (0.54)   6.86 (1.32)
 CA_A:18   1.5282 (0.0039)  118.26 (0.26) 116.86 (0.97) 123.38 (0.53)
                 C_A:18          O_A:18        N_A:19^b      N_A:19^a     

 O_A:18 -        Distance        Angles
 C_A:18    1.2443 (0.0031) 
                 O_A:18         

 CG_A:18 -       Distance        Angles
 CB_A:18   1.5147 (0.0055) 
 CD2_A:18  1.5204 (0.0093)  111.89 (0.38)
 CD1_A:18  1.5272 (0.0071)  108.17 (0.46) 109.92 (0.54)
                 CG_A:18         CB_A:18       CD2_A:18     

 N_A:19^a -      Distance        Angles
 C_A:18    1.3389 (0.0074) 
 CA_A:19^a 1.4485 (0.0101)  121.30 (0.74)
 CD_A:19^a 1.4847 (0.0099)  124.40 (0.86) 113.00 (0.58)
                 N_A:19^a        C_A:18        CA_A:19^a    

 CA_A:19^a -     Distance        Angles
 N_A:19^a  1.4485 (0.0101) 
 C_A:19^a  1.5300 (0.0088)  114.43 (0.64)
 CB_A:19^a 1.5467 (0.0108)  102.89 (0.71) 112.00 (0.66)
                 CA_A:19^a       N_A:19^a      C_A:19^a     

 CB_A:19^a -     Distance        Angles
 CG_A:19^a 1.5194 (0.0119) 
 CA_A:19^a 1.5467 (0.0108)  104.92 (0.77)
                 CB_A:19^a       CG_A:19^a    

 CG_A:19^a -     Distance        Angles
 CD_A:19^a 1.4805 (0.0092) 
 CB_A:19^a 1.5194 (0.0119)  105.61 (0.68)
                 CG_A:19^a       CD_A:19^a    

 CD_A:19^a -     Distance        Angles
 CG_A:19^a 1.4805 (0.0092) 
 N_A:19^a  1.4847 (0.0099)  104.39 (0.57)
                 CD_A:19^a       CG_A:19^a    

 C_A:19^a -      Distance        Angles
 O_A:19^a  1.2291 (0.0107) 
 N_A:20    1.3531 (0.0076)  125.48 (0.74)
 CA_A:19^a 1.5300 (0.0088)  119.01 (0.70) 115.50 (0.74)
                 C_A:19^a        O_A:19^a      N_A:20       

 O_A:19^a -      Distance        Angles
 C_A:19^a  1.2291 (0.0107) 
                 O_A:19^a       

 N_A:19^b -      Distance        Angles
 C_A:18    1.3273 (0.0136) 
 CA_A:19^b 1.4527 (0.0162)  115.90 (1.52)
 CD_A:19^b 1.4885 (0.0171)  134.47 (1.72) 109.10 (1.30)
                 N_A:19^b        C_A:18        CA_A:19^b    

 CA_A:19^b -     Distance        Angles
 N_A:19^b  1.4527 (0.0162) 
 C_A:19^b  1.5090 (0.0158)  112.11 (1.35)
 CB_A:19^b 1.5248 (0.0166)  108.92 (1.25) 106.33 (1.49)
                 CA_A:19^b       N_A:19^b      C_A:19^b     

 CB_A:19^b -     Distance        Angles
 CG_A:19^b 1.4824 (0.0172) 
 CA_A:19^b 1.5248 (0.0166)  100.06 (1.49)
                 CB_A:19^b       CG_A:19^b    

 CG_A:19^b -     Distance        Angles
 CB_A:19^b 1.4824 (0.0173) 
 CD_A:19^b 1.4967 (0.0173)  109.68 (1.33)
                 CG_A:19^b       CB_A:19^b    

 CD_A:19^b -     Distance        Angles
 N_A:19^b  1.4885 (0.0171) 
 CG_A:19^b 1.4967 (0.0174)  100.60 (1.32)
                 CD_A:19^b       N_A:19^b     

 O_A:19^b -      Distance        Angles
 C_A:19^b  1.2311 (0.0175) 
                 O_A:19^b       

 C_A:19^b -      Distance        Angles
 O_A:19^b  1.2311 (0.0176) 
 N_A:20    1.2519 (0.0159)  118.98 (2.17)
 CA_A:19^b 1.5090 (0.0158)  114.39 (2.04) 126.39 (1.62)
                 C_A:19^b        O_A:19^b      N_A:20       

 CA_A:20 -       Distance        Angles
 N_A:20    1.4486 (0.0039) 
 C_A:20    1.5120 (0.0042)  115.10 (0.23)
                 CA_A:20         N_A:20       

 N_A:20 -        Distance        Angles
 C_A:19^b  1.2519 (0.0159) 
 C_A:19^a  1.3531 (0.0076)    8.63 (1.25)
 CA_A:20   1.4486 (0.0039)  128.51 (1.02) 120.06 (0.46)
                 N_A:20          C_A:19^b      C_A:19^a     

 C_A:20 -        Distance        Angles
 O_A:20    1.2207 (0.0040) 
 N_A:21    1.3334 (0.0034)  122.94 (0.27)
 CA_A:20   1.5120 (0.0042)  119.52 (0.25) 117.50 (0.24)
                 C_A:20          O_A:20        N_A:21       

 O_A:20 -        Distance        Angles
 C_A:20    1.2207 (0.0040) 
                 O_A:20         

 N_A:21 -        Distance        Angles
 C_A:20    1.3334 (0.0034) 
 CA_A:21   1.4499 (0.0033)  122.92 (0.23)
                 N_A:21          C_A:20       

 CA_A:21 -       Distance        Angles
 N_A:21    1.4499 (0.0033) 
 C_A:21    1.5317 (0.0033)  109.58 (0.20)
 CB_A:21   1.5449 (0.0035)  108.29 (0.21) 107.63 (0.19)
                 CA_A:21         N_A:21        C_A:21       

 CB_A:21 -       Distance        Angles
 OG1_A:21  1.4283 (0.0034) 
 CG2_A:21  1.5069 (0.0042)  111.62 (0.24)
 CA_A:21   1.5449 (0.0035)  109.09 (0.20) 111.64 (0.24)
                 CB_A:21         OG1_A:21      CG2_A:21     

 OG1_A:21 -      Distance        Angles
 CB_A:21   1.4283 (0.0034) 
                 OG1_A:21       

 CG2_A:21 -      Distance        Angles
 CB_A:21   1.5069 (0.0042) 
                 CG2_A:21       

 C_A:21 -        Distance        Angles
 O_A:21    1.2298 (0.0033) 
 N_A:22^c  1.2824 (0.0127)  120.99 (0.86)
 N_A:22^a  1.3389 (0.0141)  125.86 (0.85)   5.22 (2.10)
 N_A:22^b  1.3709 (0.0096)  120.65 (0.64)   3.70 (2.42)   7.56 (1.95)
 CA_A:21   1.5317 (0.0033)  120.05 (0.24) 118.68 (0.95) 113.62 (0.95) 119.28 (0.65)
                 C_A:21          O_A:21        N_A:22^c      N_A:22^a      N_A:22^b     

 O_A:21 -        Distance        Angles
 C_A:21    1.2298 (0.0034) 
                 O_A:21         

 N_A:22^a -      Distance        Angles
 C_A:21    1.3389 (0.0141) 
 CA_A:22^a 1.4727 (0.0155)  114.98 (1.51)
                 N_A:22^a        C_A:21       

 CA_A:22^a -     Distance        Angles
 N_A:22^a  1.4727 (0.0155) 
 C_A:22^a  1.5114 (0.0143)  111.77 (1.05)
 CB_A:22^a 1.5619 (0.0146)  106.95 (0.99) 109.32 (0.98)
                 CA_A:22^a       N_A:22^a      C_A:22^a     

 CB_A:22^a -     Distance        Angles
 OG_A:22^a 1.4305 (0.0197) 
 CA_A:22^a 1.5619 (0.0145)  107.96 (1.22)
                 CB_A:22^a       OG_A:22^a    

 OG_A:22^a -     Distance        Angles
 CB_A:22^a 1.4305 (0.0197) 
                 OG_A:22^a      

 O_A:22^a -      Distance        Angles
 C_A:22^a  1.2444 (0.0162) 
                 O_A:22^a       

 C_A:22^a -      Distance        Angles
 O_A:22^a  1.2444 (0.0161) 
 N_A:23    1.3638 (0.0138)  119.49 (1.81)
 CA_A:22^a 1.5114 (0.0143)  121.04 (1.49) 119.47 (1.50)
                 C_A:22^a        O_A:22^a      N_A:23       

 N_A:22^b -      Distance        Angles
 C_A:21    1.3709 (0.0096) 
 CA_A:22^b 1.4656 (0.0128)  120.34 (1.09)
 CD_A:22^b 1.4663 (0.0124)  127.16 (0.96) 112.34 (0.63)
                 N_A:22^b        C_A:21        CA_A:22^b    

 CA_A:22^b -     Distance        Angles
 N_A:22^b  1.4656 (0.0128) 
 CB_A:22^b 1.5148 (0.0138)  103.64 (0.63)
 C_A:22^b  1.5182 (0.0125)  112.36 (0.93) 111.41 (1.03)
                 CA_A:22^b       N_A:22^b      CB_A:22^b    

 CB_A:22^b -     Distance        Angles
 CG_A:22^b 1.5022 (0.0137) 
 CA_A:22^b 1.5148 (0.0138)  105.60 (0.78)
                 CB_A:22^b       CG_A:22^b    

 CG_A:22^b -     Distance        Angles
 CB_A:22^b 1.5022 (0.0137) 
 CD_A:22^b 1.5038 (0.0125)  105.40 (0.73)
                 CG_A:22^b       CB_A:22^b    

 CD_A:22^b -     Distance        Angles
 N_A:22^b  1.4663 (0.0124) 
 CG_A:22^b 1.5038 (0.0125)  103.98 (0.63)
                 CD_A:22^b       N_A:22^b     

 C_A:22^b -      Distance        Angles
 O_A:22^b  1.2192 (0.0151) 
 N_A:23    1.3240 (0.0142)  123.22 (1.54)
 CA_A:22^b 1.5182 (0.0125)  123.25 (1.37) 113.42 (1.23)
                 C_A:22^b        O_A:22^b      N_A:23       

 O_A:22^b -      Distance        Angles
 C_A:22^b  1.2192 (0.0151) 
                 O_A:22^b       

 N_A:22^c -      Distance        Angles
 C_A:21    1.2824 (0.0126) 
 CA_A:22^c 1.4656 (0.0143)  124.23 (1.37)
                 N_A:22^c        C_A:21       

 CA_A:22^c -     Distance        Angles
 N_A:22^c  1.4656 (0.0143) 
 C_A:22^c  1.5108 (0.0145)  112.05 (1.03)
 CB_A:22^c 1.5422 (0.0148)  108.07 (1.02) 110.35 (1.02)
                 CA_A:22^c       N_A:22^c      C_A:22^c     

 CB_A:22^c -     Distance        Angles
 OG_A:22^c 1.3872 (0.0154) 
 CA_A:22^c 1.5422 (0.0147)  111.87 (1.30)
                 CB_A:22^c       OG_A:22^c    

 OG_A:22^c -     Distance        Angles
 CB_A:22^c 1.3872 (0.0154) 
                 OG_A:22^c      

 O_A:22^c -      Distance        Angles
 C_A:22^c  1.2283 (0.0158) 
                 O_A:22^c       

 C_A:22^c -      Distance        Angles
 O_A:22^c  1.2283 (0.0157) 
 N_A:23    1.3499 (0.0150)  123.93 (1.84)
 CA_A:22^c 1.5108 (0.0145)  122.76 (1.54) 113.05 (1.47)
                 C_A:22^c        O_A:22^c      N_A:23       

 N_A:23 -        Distance        Angles
 C_A:22^b  1.3240 (0.0142) 
 C_A:22^c  1.3499 (0.0150)    4.91 (1.58)
 C_A:22^a  1.3638 (0.0139)    2.65 (1.75)   5.97 (1.54)
 CA_A:23   1.4574 (0.0035)  120.78 (0.88) 117.28 (0.95) 122.95 (0.94)
                 N_A:23          C_A:22^b      C_A:22^c      C_A:22^a     

 CA_A:23 -       Distance        Angles
 N_A:23    1.4574 (0.0035) 
 C_A:23    1.5252 (0.0036)  111.80 (0.22)
 CB_A:23   1.5289 (0.0041)  112.09 (0.21) 109.42 (0.22)
                 CA_A:23         N_A:23        C_A:23       

 CB_A:23 -       Distance        Angles
 CG_A:23   1.5234 (0.0048) 
 CA_A:23   1.5289 (0.0041)  114.16 (0.27)
                 CB_A:23         CG_A:23      

 CD_A:23 -       Distance        Angles
 OE2_A:23  1.2133 (0.0089) 
 OE1_A:23  1.2304 (0.0090)  122.52 (0.57)
 CG_A:23   1.5314 (0.0063)  119.95 (0.51) 117.36 (0.65)
                 CD_A:23         OE2_A:23      OE1_A:23     

 CG_A:23 -       Distance        Angles
 CB_A:23   1.5234 (0.0049) 
 CD_A:23   1.5314 (0.0063)  113.11 (0.37)
                 CG_A:23         CB_A:23      

 OE1_A:23 -      Distance        Angles
 CD_A:23   1.2304 (0.0090) 
                 OE1_A:23       

 OE2_A:23 -      Distance        Angles
 CD_A:23   1.2133 (0.0089) 
                 OE2_A:23       

 C_A:23 -        Distance        Angles
 O_A:23    1.2311 (0.0031) 
 N_A:24    1.3359 (0.0038)  122.13 (0.24)
 CA_A:23   1.5252 (0.0036)  119.48 (0.25) 118.36 (0.21)
                 C_A:23          O_A:23        N_A:24       

 O_A:23 -        Distance        Angles
 C_A:23    1.2311 (0.0031) 
                 O_A:23         

 N_A:24 -        Distance        Angles
 C_A:23    1.3359 (0.0038) 
 CA_A:24   1.4580 (0.0035)  119.52 (0.21)
                 N_A:24          C_A:23       

 CA_A:24 -       Distance        Angles
 N_A:24    1.4580 (0.0035) 
 CB_A:24   1.5275 (0.0048)  109.84 (0.25)
 C_A:24    1.5282 (0.0040)  112.05 (0.21) 110.74 (0.28)
                 CA_A:24         N_A:24        CB_A:24      

 CB_A:24 -       Distance        Angles
 CA_A:24   1.5275 (0.0048) 
                 CB_A:24        

 C_A:24 -        Distance        Angles
 O_A:24    1.2318 (0.0033) 
 N_A:25^a  1.3208 (0.0130)  118.27 (1.07)
 N_A:25^b  1.3467 (0.0133)  123.46 (0.87)   5.46 (1.52)
 N_A:25^c  1.3756 (0.0148)  124.38 (1.23)   6.36 (1.86)   0.93 (1.74)
 CA_A:24   1.5282 (0.0040)  120.24 (0.23) 121.49 (1.06) 116.26 (0.86) 115.34 (1.20)
                 C_A:24          O_A:24        N_A:25^a      N_A:25^b      N_A:25^c     

 O_A:24 -        Distance        Angles
 C_A:24    1.2318 (0.0033) 
                 O_A:24         

 N_A:25^a -      Distance        Angles
 C_A:24    1.3208 (0.0129) 
 CA_A:25^a 1.4783 (0.0138)  127.34 (1.66)
                 N_A:25^a        C_A:24       

 CA_A:25^a -     Distance        Angles
 N_A:25^a  1.4783 (0.0139) 
 C_A:25^a  1.5178 (0.0131)  109.91 (0.91)
 CB_A:25^a 1.5305 (0.0126)  110.81 (0.92) 111.15 (0.95)
                 CA_A:25^a       N_A:25^a      C_A:25^a     

 CB_A:25^a -     Distance        Angles
 CG2_A:25^ 1.5148 (0.0142) 
 CA_A:25^a 1.5305 (0.0126)  112.35 (0.97)
 CG1_A:25^ 1.5488 (0.0144)  109.35 (0.89) 112.74 (0.97)
                 CB_A:25^a       CG2_A:25^a    CA_A:25^a    

 CG1_A:25^a -    Distance        Angles
 CD1_A:25^ 1.5263 (0.0187) 
 CB_A:25^a 1.5488 (0.0144)  111.16 (1.40)
                 CG1_A:25^a      CD1_A:25^a   

 CG2_A:25^a -    Distance        Angles
 CB_A:25^a 1.5148 (0.0142) 
                 CG2_A:25^a     

 CD1_A:25^a -    Distance        Angles
 CG1_A:25^ 1.5263 (0.0186) 
                 CD1_A:25^a     

 C_A:25^a -      Distance        Angles
 O_A:25^a  1.2263 (0.0142) 
 N_A:26    1.3499 (0.0142)  122.61 (1.52)
 CA_A:25^a 1.5178 (0.0131)  121.82 (1.34) 115.33 (1.18)
                 C_A:25^a        O_A:25^a      N_A:26       

 O_A:25^a -      Distance        Angles
 C_A:25^a  1.2263 (0.0142) 
                 O_A:25^a       

 N_A:25^b -      Distance        Angles
 C_A:24    1.3467 (0.0132) 
 CA_A:25^b 1.4164 (0.0139)  116.62 (1.43)
                 N_A:25^b        C_A:24       

 CA_A:25^b -     Distance        Angles
 N_A:25^b  1.4164 (0.0139) 
 C_A:25^b  1.5281 (0.0130)  113.28 (0.92)
 CB_A:25^b 1.5629 (0.0131)  110.45 (0.94) 109.39 (0.92)
                 CA_A:25^b       N_A:25^b      C_A:25^b     

 CB_A:25^b -     Distance        Angles
 CG_A:25^b 1.5375 (0.0127) 
 CA_A:25^b 1.5629 (0.0131)  112.10 (0.90)
                 CB_A:25^b       CG_A:25^b    

 CD1_A:25^b -    Distance        Angles
 CG_A:25^b 1.5118 (0.0092) 
                 CD1_A:25^b     

 CD2_A:25^b -    Distance        Angles
 CG_A:25^b 1.5129 (0.0095) 
                 CD2_A:25^b     

 CG_A:25^b -     Distance        Angles
 CD1_A:25^ 1.5118 (0.0092) 
 CD2_A:25^ 1.5129 (0.0094)  112.26 (0.85)
 CB_A:25^b 1.5375 (0.0127)  110.68 (0.87) 110.57 (0.81)
                 CG_A:25^b       CD1_A:25^b    CD2_A:25^b   

 C_A:25^b -      Distance        Angles
 O_A:25^b  1.2399 (0.0143) 
 N_A:26    1.3233 (0.0146)  122.52 (1.33)
 CA_A:25^b 1.5281 (0.0131)  119.52 (1.28) 117.86 (1.14)
                 C_A:25^b        O_A:25^b      N_A:26       

 O_A:25^b -      Distance        Angles
 C_A:25^b  1.2399 (0.0143) 
                 O_A:25^b       

 N_A:25^c -      Distance        Angles
 C_A:24    1.3756 (0.0147) 
 CA_A:25^c 1.4598 (0.0151)  118.20 (1.84)
                 N_A:25^c        C_A:24       

 CA_A:25^c -     Distance        Angles
 N_A:25^c  1.4598 (0.0151) 
 C_A:25^c  1.5189 (0.0143)  110.85 (1.05)
 CB_A:25^c 1.5394 (0.0141)  111.50 (1.04) 110.58 (1.03)
                 CA_A:25^c       N_A:25^c      C_A:25^c     

 CB_A:25^c -     Distance        Angles
 CG2_A:25^ 1.5168 (0.0161) 
 CA_A:25^c 1.5394 (0.0140)  111.17 (1.08)
 CG1_A:25^ 1.5460 (0.0152)  109.49 (1.00) 112.55 (1.05)
                 CB_A:25^c       CG2_A:25^c    CA_A:25^c    

 CG1_A:25^c -    Distance        Angles
 CD1_A:25^ 1.5189 (0.0200) 
 CB_A:25^c 1.5460 (0.0152)  112.03 (1.36)
                 CG1_A:25^c      CD1_A:25^c   

 CG2_A:25^c -    Distance        Angles
 CB_A:25^c 1.5168 (0.0161) 
                 CG2_A:25^c     

 CD1_A:25^c -    Distance        Angles
 CG1_A:25^ 1.5189 (0.0200) 
                 CD1_A:25^c     

 C_A:25^c -      Distance        Angles
 O_A:25^c  1.2234 (0.0157) 
 N_A:26    1.3597 (0.0148)  119.12 (1.60)
 CA_A:25^c 1.5189 (0.0143)  121.89 (1.43) 118.99 (1.41)
                 C_A:25^c        O_A:25^c      N_A:26       

 O_A:25^c -      Distance        Angles
 C_A:25^c  1.2234 (0.0157) 
                 O_A:25^c       

 N_A:26 -        Distance        Angles
 C_A:25^b  1.3233 (0.0146) 
 C_A:25^a  1.3499 (0.0142)    4.87 (1.64)
 C_A:25^c  1.3597 (0.0148)    3.45 (1.61)   5.01 (1.60)
 CA_A:26   1.4567 (0.0031)  118.99 (0.73) 116.13 (0.75) 121.02 (0.95)
                 N_A:26          C_A:25^b      C_A:25^a      C_A:25^c     

 CA_A:26 -       Distance        Angles
 N_A:26    1.4567 (0.0031) 
 CB_A:26   1.5093 (0.0036)  111.76 (0.20)
 C_A:26    1.5405 (0.0034)  111.32 (0.21) 110.78 (0.21)
                 CA_A:26         N_A:26        CB_A:26      

 SG_A:26 -       Distance        Angles
 CB_A:26   1.8248 (0.0032) 
 SG_A:16   2.0349 (0.0021)  103.15 (0.12)
                 SG_A:26         CB_A:26      

 CB_A:26 -       Distance        Angles
 CA_A:26   1.5093 (0.0036) 
 SG_A:26   1.8248 (0.0032)  112.99 (0.19)
                 CB_A:26         CA_A:26      

 O_A:26 -        Distance        Angles
 C_A:26    1.2381 (0.0031) 
                 O_A:26         

 C_A:26 -        Distance        Angles
 O_A:26    1.2381 (0.0031) 
 N_A:27    1.3188 (0.0037)  123.62 (0.23)
 CA_A:26   1.5405 (0.0034)  118.12 (0.24) 118.25 (0.20)
                 C_A:26          O_A:26        N_A:27       

 N_A:27 -        Distance        Angles
 C_A:26    1.3188 (0.0037) 
 CA_A:27   1.4688 (0.0033)  122.15 (0.20)
                 N_A:27          C_A:26       

 CA_A:27 -       Distance        Angles
 N_A:27    1.4688 (0.0033) 
 CB_A:27   1.5155 (0.0042)  110.33 (0.21)
 C_A:27    1.5327 (0.0038)  110.97 (0.21) 111.69 (0.27)
                 CA_A:27         N_A:27        CB_A:27      

 CB_A:27 -       Distance        Angles
 CA_A:27   1.5155 (0.0042) 
                 CB_A:27        

 C_A:27 -        Distance        Angles
 O_A:27    1.2274 (0.0032) 
 N_A:28    1.3453 (0.0039)  121.98 (0.26)
 CA_A:27   1.5327 (0.0038)  120.19 (0.26) 117.83 (0.21)
                 C_A:27          O_A:27        N_A:28       

 O_A:27 -        Distance        Angles
 C_A:27    1.2274 (0.0032) 
                 O_A:27         

 N_A:28 -        Distance        Angles
 C_A:27    1.3453 (0.0039) 
 CA_A:28   1.4568 (0.0040)  118.41 (0.22)
                 N_A:28          C_A:27       

 CA_A:28 -       Distance        Angles
 N_A:28    1.4568 (0.0040) 
 C_A:28    1.5207 (0.0048)  112.27 (0.25)
 CB_A:28   1.5334 (0.0048)  111.99 (0.25) 111.37 (0.27)
                 CA_A:28         N_A:28        C_A:28       

 CB_A:28 -       Distance        Angles
 OG1_A:28  1.4149 (0.0045) 
 CG2_A:28  1.4999 (0.0055)  111.39 (0.35)
 CA_A:28   1.5334 (0.0048)  107.74 (0.26) 112.59 (0.32)
                 CB_A:28         OG1_A:28      CG2_A:28     

 OG1_A:28 -      Distance        Angles
 CB_A:28   1.4149 (0.0045) 
                 OG1_A:28       

 CG2_A:28 -      Distance        Angles
 CB_A:28   1.4999 (0.0055) 
                 CG2_A:28       

 C_A:28 -        Distance        Angles
 O_A:28    1.2327 (0.0040) 
 N_A:29^c  1.2831 (0.0140)  122.51 (0.94)
 N_A:29^a  1.3339 (0.0137)  120.89 (1.06)  10.45 (2.95)
 N_A:29^b  1.3591 (0.0151)  123.90 (1.20)   6.04 (3.12)   5.26 (3.69)
 CA_A:28   1.5207 (0.0048)  119.84 (0.31) 117.21 (0.96) 119.14 (0.98) 116.26 (1.19)
                 C_A:28          O_A:28        N_A:29^c      N_A:29^a      N_A:29^b     

 O_A:28 -        Distance        Angles
 C_A:28    1.2327 (0.0040) 
                 O_A:28         

 N_A:29^a -      Distance        Angles
 C_A:28    1.3339 (0.0136) 
 CA_A:29^a 1.4631 (0.0135)  124.99 (1.57)
                 N_A:29^a        C_A:28       

 CA_A:29^a -     Distance        Angles
 N_A:29^a  1.4631 (0.0136) 
 CB_A:29^a 1.5184 (0.0142)  109.54 (1.01)
 C_A:29^a  1.5255 (0.0139)  111.09 (1.23) 112.56 (1.05)
                 CA_A:29^a       N_A:29^a      CB_A:29^a    

 CB_A:29^a -     Distance        Angles
 CG_A:29^a 1.5130 (0.0129) 
 CA_A:29^a 1.5184 (0.0142)  116.68 (0.95)
                 CB_A:29^a       CG_A:29^a    

 CG_A:29^a -     Distance        Angles
 CD1_A:29^ 1.3665 (0.0149) 
 CD2_A:29^ 1.4023 (0.0151)  117.80 (1.07)
 CB_A:29^a 1.5130 (0.0129)  121.80 (1.28) 120.39 (1.28)
                 CG_A:29^a       CD1_A:29^a    CD2_A:29^a   

 CD1_A:29^a -    Distance        Angles
 CG_A:29^a 1.3665 (0.0149) 
 CE1_A:29^ 1.4062 (0.0120)  121.95 (1.30)
                 CD1_A:29^a      CG_A:29^a    

 CD2_A:29^a -    Distance        Angles
 CE2_A:29^ 1.3774 (0.0123) 
 CG_A:29^a 1.4023 (0.0151)  121.81 (1.32)
                 CD2_A:29^a      CE2_A:29^a   

 CE1_A:29^a -    Distance        Angles
 CZ_A:29^a 1.3792 (0.0127) 
 CD1_A:29^ 1.4062 (0.0121)  118.09 (1.23)
                 CE1_A:29^a      CZ_A:29^a    

 CE2_A:29^a -    Distance        Angles
 CD2_A:29^ 1.3774 (0.0123) 
 CZ_A:29^a 1.3799 (0.0128)  118.70 (1.29)
                 CE2_A:29^a      CD2_A:29^a   

 CZ_A:29^a -     Distance        Angles
 OH_A:29^a 1.3757 (0.0142) 
 CE1_A:29^ 1.3792 (0.0127)  120.68 (1.48)
 CE2_A:29^ 1.3799 (0.0128)  117.67 (1.45) 121.65 (1.15)
                 CZ_A:29^a       OH_A:29^a     CE1_A:29^a   

 OH_A:29^a -     Distance        Angles
 CZ_A:29^a 1.3757 (0.0143) 
                 OH_A:29^a      

 C_A:29^a -      Distance        Angles
 O_A:29^a  1.2280 (0.0155) 
 N_A:30    1.3557 (0.0143)  119.14 (1.51)
 CA_A:29^a 1.5255 (0.0139)  120.12 (1.26) 120.73 (1.45)
                 C_A:29^a        O_A:29^a      N_A:30       

 O_A:29^a -      Distance        Angles
 C_A:29^a  1.2280 (0.0156) 
                 O_A:29^a       

 N_A:29^b -      Distance        Angles
 C_A:28    1.3591 (0.0151) 
 CA_A:29^b 1.4656 (0.0155)  116.06 (1.83)
                 N_A:29^b        C_A:28       

 CA_A:29^b -     Distance        Angles
 N_A:29^b  1.4656 (0.0155) 
 C_A:29^b  1.5114 (0.0155)  112.49 (1.45)
 CB_A:29^b 1.5234 (0.0161)  109.02 (1.27) 110.76 (1.32)
                 CA_A:29^b       N_A:29^b      C_A:29^b     

 CB_A:29^b -     Distance        Angles
 CG_A:29^b 1.5131 (0.0146) 
 CA_A:29^b 1.5234 (0.0161)  114.15 (1.34)
                 CB_A:29^b       CG_A:29^b    

 CG_A:29^b -     Distance        Angles
 CD1_A:29^ 1.3755 (0.0162) 
 CD2_A:29^ 1.3807 (0.0160)  117.72 (1.14)
 CB_A:29^b 1.5131 (0.0146)  121.20 (1.50) 121.09 (1.53)
                 CG_A:29^b       CD1_A:29^b    CD2_A:29^b   

 CD1_A:29^b -    Distance        Angles
 CG_A:29^b 1.3755 (0.0162) 
 CE1_A:29^ 1.3852 (0.0124)  121.13 (1.32)
                 CD1_A:29^b      CG_A:29^b    

 CD2_A:29^b -    Distance        Angles
 CE2_A:29^ 1.3783 (0.0128) 
 CG_A:29^b 1.3807 (0.0160)  122.04 (1.35)
                 CD2_A:29^b      CE2_A:29^b   

 CE1_A:29^b -    Distance        Angles
 CZ_A:29^b 1.3755 (0.0126) 
 CD1_A:29^ 1.3852 (0.0124)  120.28 (1.29)
                 CE1_A:29^b      CZ_A:29^b    

 CE2_A:29^b -    Distance        Angles
 CD2_A:29^ 1.3783 (0.0128) 
 CZ_A:29^b 1.3814 (0.0128)  119.44 (1.35)
                 CE2_A:29^b      CD2_A:29^b   

 CZ_A:29^b -     Distance        Angles
 OH_A:29^b 1.3659 (0.0149) 
 CE1_A:29^ 1.3755 (0.0126)  121.02 (1.50)
 CE2_A:29^ 1.3814 (0.0128)  119.58 (1.48) 119.40 (1.19)
                 CZ_A:29^b       OH_A:29^b     CE1_A:29^b   

 OH_A:29^b -     Distance        Angles
 CZ_A:29^b 1.3659 (0.0149) 
                 OH_A:29^b      

 C_A:29^b -      Distance        Angles
 O_A:29^b  1.2207 (0.0169) 
 N_A:30    1.3018 (0.0168)  118.65 (1.93)
 CA_A:29^b 1.5114 (0.0155)  123.84 (1.69) 117.49 (1.82)
                 C_A:29^b        O_A:29^b      N_A:30       

 O_A:29^b -      Distance        Angles
 C_A:29^b  1.2207 (0.0170) 
                 O_A:29^b       

 N_A:29^c -      Distance        Angles
 C_A:28    1.2831 (0.0140) 
 CA_A:29^c 1.4380 (0.0140)  118.94 (1.62)
                 N_A:29^c        C_A:28       

 CA_A:29^c -     Distance        Angles
 N_A:29^c  1.4380 (0.0140) 
 CB_A:29^c 1.5158 (0.0138)  108.66 (1.04)
 C_A:29^c  1.5338 (0.0130)  112.94 (1.15) 110.26 (0.99)
                 CA_A:29^c       N_A:29^c      CB_A:29^c    

 CB_A:29^c -     Distance        Angles
 CG_A:29^c 1.5000 (0.0131) 
 CA_A:29^c 1.5158 (0.0138)  117.56 (1.11)
                 CB_A:29^c       CG_A:29^c    

 CG_A:29^c -     Distance        Angles
 CD1_A:29^ 1.3768 (0.0114) 
 CD2_A:29^ 1.3950 (0.0131)  117.60 (0.90)
 CB_A:29^c 1.5000 (0.0131)  122.53 (1.09) 119.87 (1.11)
                 CG_A:29^c       CD1_A:29^c    CD2_A:29^c   

 CD1_A:29^c -    Distance        Angles
 CE1_A:29^ 1.3755 (0.0110) 
 CG_A:29^c 1.3768 (0.0115)  120.81 (0.93)
                 CD1_A:29^c      CE1_A:29^c   

 CD2_A:29^c -    Distance        Angles
 CE2_A:29^ 1.3760 (0.0109) 
 CG_A:29^c 1.3950 (0.0131)  121.84 (0.99)
                 CD2_A:29^c      CE2_A:29^c   

 CE2_A:29^c -    Distance        Angles
 CD2_A:29^ 1.3760 (0.0109) 
 CZ_A:29^c 1.3806 (0.0115)  119.60 (0.99)
                 CE2_A:29^c      CD2_A:29^c   

 CE1_A:29^c -    Distance        Angles
 CD1_A:29^ 1.3755 (0.0110) 
 CZ_A:29^c 1.3783 (0.0115)  121.16 (0.96)
                 CE1_A:29^c      CD1_A:29^c   

 CZ_A:29^c -     Distance        Angles
 OH_A:29^c 1.3588 (0.0117) 
 CE1_A:29^ 1.3783 (0.0115)  121.29 (1.08)
 CE2_A:29^ 1.3806 (0.0115)  119.72 (1.11) 118.98 (0.92)
                 CZ_A:29^c       OH_A:29^c     CE1_A:29^c   

 OH_A:29^c -     Distance        Angles
 CZ_A:29^c 1.3588 (0.0117) 
                 OH_A:29^c      

 C_A:29^c -      Distance        Angles
 O_A:29^c  1.2334 (0.0138) 
 N_A:30    1.3499 (0.0120)  126.08 (1.34)
 CA_A:29^c 1.5338 (0.0131)  120.83 (1.24) 113.08 (1.14)
                 C_A:29^c        O_A:29^c      N_A:30       

 O_A:29^c -      Distance        Angles
 C_A:29^c  1.2334 (0.0139) 
                 O_A:29^c       

 N_A:30 -        Distance        Angles
 C_A:29^b  1.3018 (0.0168) 
 C_A:29^c  1.3499 (0.0120)    5.78 (1.50)
 C_A:29^a  1.3557 (0.0144)    6.33 (1.50)   4.39 (1.24)
 CA_A:30   1.4556 (0.0035)  123.48 (1.13) 120.85 (0.69) 125.10 (0.87)
                 N_A:30          C_A:29^b      C_A:29^c      C_A:29^a     

 CA_A:30 -       Distance        Angles
 N_A:30    1.4556 (0.0035) 
 C_A:30    1.5233 (0.0052)  115.42 (0.28)
 CB_A:30   1.5315 (0.0046)  110.80 (0.25) 106.82 (0.28)
                 CA_A:30         N_A:30        C_A:30       

 CG2_A:30 -      Distance        Angles
 CB_A:30   1.5056 (0.0083) 
                 CG2_A:30       

 OG1_A:30 -      Distance        Angles
 CB_A:30   1.4383 (0.0051) 
                 OG1_A:30       

 CB_A:30 -       Distance        Angles
 OG1_A:30  1.4383 (0.0051) 
 CG2_A:30  1.5056 (0.0083)  112.79 (0.35)
 CA_A:30   1.5315 (0.0046)  109.25 (0.32) 111.01 (0.38)
                 CB_A:30         OG1_A:30      CG2_A:30     

 C_A:30 -        Distance        Angles
 O_A:30    1.2251 (0.0041) 
 N_A:31    1.3302 (0.0053)  123.89 (0.38)
 CA_A:30   1.5233 (0.0053)  118.18 (0.38) 117.74 (0.25)
                 C_A:30          O_A:30        N_A:31       

 O_A:30 -        Distance        Angles
 C_A:30    1.2251 (0.0041) 
                 O_A:30         

 N_A:31 -        Distance        Angles
 C_A:30    1.3302 (0.0053) 
 CA_A:31   1.4486 (0.0048)  122.58 (0.29)
                 N_A:31          C_A:30       

 C_A:31 -        Distance        Angles
 O_A:31    1.2288 (0.0040) 
 N_A:32    1.3334 (0.0036)  122.30 (0.27)
 CA_A:31   1.5149 (0.0044)  119.09 (0.27) 118.60 (0.27)
                 C_A:31          O_A:31        N_A:32       

 O_A:31 -        Distance        Angles
 C_A:31    1.2288 (0.0040) 
                 O_A:31         

 CA_A:31 -       Distance        Angles
 N_A:31    1.4486 (0.0048) 
 C_A:31    1.5149 (0.0044)  114.86 (0.26)
                 CA_A:31         N_A:31       

 N_A:32 -        Distance        Angles
 C_A:31    1.3334 (0.0036) 
 CA_A:32   1.4481 (0.0034)  120.60 (0.24)
                 N_A:32          C_A:31       

 CA_A:32 -       Distance        Angles
 N_A:32    1.4481 (0.0034) 
 CB_A:32   1.5232 (0.0037)  110.48 (0.21)
 C_A:32    1.5485 (0.0040)  109.50 (0.22) 110.33 (0.20)
                 CA_A:32         N_A:32        CB_A:32      

 CB_A:32 -       Distance        Angles
 CA_A:32   1.5232 (0.0037) 
 SG_A:32   1.8286 (0.0033)  114.24 (0.18)
                 CB_A:32         CA_A:32      

 SG_A:32 -       Distance        Angles
 CB_A:32   1.8286 (0.0033) 
 SG_A:4    2.0373 (0.0019)  105.40 (0.11)
                 SG_A:32         CB_A:32      

 C_A:32 -        Distance        Angles
 O_A:32    1.2241 (0.0038) 
 N_A:33    1.3302 (0.0038)  124.34 (0.28)
 CA_A:32   1.5485 (0.0040)  120.88 (0.25) 114.79 (0.23)
                 C_A:32          O_A:32        N_A:33       

 O_A:32 -        Distance        Angles
 C_A:32    1.2241 (0.0038) 
                 O_A:32         

 N_A:33 -        Distance        Angles
 C_A:32    1.3302 (0.0038) 
 CA_A:33   1.4526 (0.0038)  122.17 (0.25)
                 N_A:33          C_A:32       

 CA_A:33 -       Distance        Angles
 N_A:33    1.4526 (0.0038) 
 C_A:33    1.5286 (0.0042)  109.06 (0.24)
 CB_A:33   1.5484 (0.0051)  111.32 (0.27) 110.98 (0.27)
                 CA_A:33         N_A:33        C_A:33       

 CB_A:33 -       Distance        Angles
 CG2_A:33  1.5214 (0.0067) 
 CG1_A:33  1.5378 (0.0068)  112.89 (0.40)
 CA_A:33   1.5484 (0.0051)  108.53 (0.38) 112.71 (0.31)
                 CB_A:33         CG2_A:33      CG1_A:33     

 CG2_A:33 -      Distance        Angles
 CB_A:33   1.5214 (0.0067) 
                 CG2_A:33       

 CG1_A:33 -      Distance        Angles
 CD1_A:33  1.5112 (0.0069) 
 CB_A:33   1.5378 (0.0068)  114.67 (0.51)
                 CG1_A:33        CD1_A:33     

 CD1_A:33 -      Distance        Angles
 CG1_A:33  1.5112 (0.0069) 
                 CD1_A:33       

 C_A:33 -        Distance        Angles
 O_A:33    1.2235 (0.0044) 
 N_A:34    1.3338 (0.0042)  124.23 (0.29)
 CA_A:33   1.5286 (0.0042)  122.09 (0.27) 113.67 (0.28)
                 C_A:33          O_A:33        N_A:34       

 O_A:33 -        Distance        Angles
 C_A:33    1.2235 (0.0044) 
                 O_A:33         

 N_A:34 -        Distance        Angles
 C_A:33    1.3338 (0.0042) 
 CA_A:34   1.4608 (0.0041)  123.24 (0.31)
                 N_A:34          C_A:33       

 CA_A:34 -       Distance        Angles
 N_A:34    1.4608 (0.0041) 
 C_A:34    1.5240 (0.0051)  107.24 (0.32)
 CB_A:34   1.5308 (0.0056)  111.24 (0.29) 109.37 (0.33)
                 CA_A:34         N_A:34        C_A:34       

 CB_A:34 -       Distance        Angles
 CG1_A:34  1.5172 (0.0081) 
 CA_A:34   1.5308 (0.0056)  111.41 (0.48)
 CG2_A:34  1.5359 (0.0075)  111.67 (0.63) 108.29 (0.41)
                 CB_A:34         CG1_A:34      CA_A:34      

 CG1_A:34 -      Distance        Angles
 CB_A:34   1.5172 (0.0081) 
 CD1_A:34^ 1.5304 (0.0147)  110.41 (0.81)
 CD1_A:34^ 1.8422 (0.0408)  125.30 (1.41) 115.25 (1.08)
                 CG1_A:34        CB_A:34       CD1_A:34^a   

 CG2_A:34 -      Distance        Angles
 CB_A:34   1.5359 (0.0075) 
                 CG2_A:34       

 C_A:34 -        Distance        Angles
 O_A:34    1.2456 (0.0058) 
 N_A:35    1.3286 (0.0047)  123.34 (0.35)
 CA_A:34   1.5240 (0.0051)  119.97 (0.32) 116.69 (0.37)
                 C_A:34          O_A:34        N_A:35       

 O_A:34 -        Distance        Angles
 C_A:34    1.2456 (0.0058) 
                 O_A:34         

 CD1_A:34^a -    Distance        Angles
 CG1_A:34  1.5304 (0.0147) 
                 CD1_A:34^a     

 CD1_A:34^b -    Distance        Angles
 CG1_A:34  1.8422 (0.0408) 
                 CD1_A:34^b     

 N_A:35 -        Distance        Angles
 C_A:34    1.3286 (0.0047) 
 CA_A:35   1.4605 (0.0047)  122.11 (0.38)
                 N_A:35          C_A:34       

 CA_A:35 -       Distance        Angles
 N_A:35    1.4605 (0.0047) 
 C_A:35    1.5177 (0.0056)  109.04 (0.35)
 CB_A:35   1.5545 (0.0066)  112.09 (0.36) 110.39 (0.33)
                 CA_A:35         N_A:35        C_A:35       

 CB_A:35 -       Distance        Angles
 CG1_A:35  1.5389 (0.0099) 
 CG2_A:35  1.5399 (0.0086)  113.57 (0.67)
 CA_A:35   1.5545 (0.0066)  112.19 (0.46) 107.85 (0.51)
                 CB_A:35         CG1_A:35      CG2_A:35     

 CG1_A:35 -      Distance        Angles
 CD1_A:35  1.5254 (0.0083) 
 CB_A:35   1.5389 (0.0099)  112.03 (0.71)
                 CG1_A:35        CD1_A:35     

 CG2_A:35 -      Distance        Angles
 CB_A:35   1.5399 (0.0086) 
                 CG2_A:35       

 CD1_A:35 -      Distance        Angles
 CG1_A:35  1.5254 (0.0084) 
                 CD1_A:35       

 C_A:35 -        Distance        Angles
 O_A:35    1.2303 (0.0059) 
 N_A:36    1.3432 (0.0051)  121.63 (0.38)
 CA_A:35   1.5177 (0.0056)  121.19 (0.35) 117.09 (0.41)
                 C_A:35          O_A:35        N_A:36       

 O_A:35 -        Distance        Angles
 C_A:35    1.2303 (0.0059) 
                 O_A:35         

 N_A:36 -        Distance        Angles
 C_A:35    1.3432 (0.0051) 
 CA_A:36   1.4634 (0.0062)  119.73 (0.46)
 CD_A:36   1.4789 (0.0083)  125.95 (0.41) 112.66 (0.43)
                 N_A:36          C_A:35        CA_A:36      

 CA_A:36 -       Distance        Angles
 N_A:36    1.4634 (0.0062) 
 C_A:36    1.5044 (0.0080)  113.83 (0.40)
 CB_A:36   1.5282 (0.0108)  103.72 (0.64) 111.65 (0.55)
                 CA_A:36         N_A:36        C_A:36       

 CB_A:36 -       Distance        Angles
 CG_A:36   1.3649 (0.0166) 
 CA_A:36   1.5282 (0.0108)  107.86 (0.64)
                 CB_A:36         CG_A:36      

 CG_A:36 -       Distance        Angles
 CB_A:36   1.3649 (0.0166) 
 CD_A:36   1.5180 (0.0108)  112.67 (0.78)
                 CG_A:36         CB_A:36      

 CD_A:36 -       Distance        Angles
 N_A:36    1.4789 (0.0083) 
 CG_A:36   1.5180 (0.0108)  101.08 (0.71)
                 CD_A:36         N_A:36       

 C_A:36 -        Distance        Angles
 O_A:36    1.2259 (0.0078) 
 N_A:37^a  1.2937 (0.0147)  118.20 (1.35)
 N_A:37^b  1.3471 (0.0133)  125.72 (1.02)   7.70 (1.63)
 CA_A:36   1.5044 (0.0080)  119.74 (0.55) 122.04 (1.30) 114.45 (0.97)
                 C_A:36          O_A:36        N_A:37^a      N_A:37^b     

 O_A:36 -        Distance        Angles
 C_A:36    1.2259 (0.0078) 
                 O_A:36         

 N_A:37^a -      Distance        Angles
 C_A:36    1.2937 (0.0146) 
 CA_A:37^a 1.4483 (0.0166)  123.69 (2.00)
                 N_A:37^a        C_A:36       

 CA_A:37^a -     Distance        Angles
 N_A:37^a  1.4483 (0.0166) 
 C_A:37^a  1.5065 (0.0170)  109.45 (1.74)
                 CA_A:37^a       N_A:37^a     

 C_A:37^a -      Distance        Angles
 O_A:37^a  1.2255 (0.0157) 
 N_A:38    1.3192 (0.0144)  126.00 (2.12)
 CA_A:37^a 1.5065 (0.0170)  119.07 (1.84) 114.88 (1.48)
                 C_A:37^a        O_A:37^a      N_A:38       

 O_A:37^a -      Distance        Angles
 C_A:37^a  1.2255 (0.0157) 
                 O_A:37^a       

 N_A:37^b -      Distance        Angles
 C_A:36    1.3471 (0.0133) 
 CA_A:37^b 1.4501 (0.0139)  123.35 (1.81)
                 N_A:37^b        C_A:36       

 CA_A:37^b -     Distance        Angles
 N_A:37^b  1.4501 (0.0139) 
 C_A:37^b  1.5275 (0.0135)  112.95 (1.25)
                 CA_A:37^b       N_A:37^b     

 C_A:37^b -      Distance        Angles
 O_A:37^b  1.2247 (0.0133) 
 N_A:38    1.3255 (0.0122)  120.43 (1.47)
 CA_A:37^b 1.5275 (0.0135)  123.43 (1.56) 116.09 (1.08)
                 C_A:37^b        O_A:37^b      N_A:38       

 O_A:37^b -      Distance        Angles
 C_A:37^b  1.2247 (0.0133) 
                 O_A:37^b       

 N_A:38 -        Distance        Angles
 C_A:37^a  1.3192 (0.0144) 
 C_A:37^b  1.3255 (0.0122)    9.23 (1.78)
 CA_A:38   1.4378 (0.0083)  122.55 (1.10) 124.18 (0.68)
                 N_A:38          C_A:37^a      C_A:37^b     

 CA_A:38 -       Distance        Angles
 N_A:38    1.4378 (0.0083) 
 CB_A:38   1.5077 (0.0109)  110.36 (0.54)
 C_A:38    1.5230 (0.0090)  113.29 (0.56) 109.54 (0.63)
                 CA_A:38         N_A:38        CB_A:38      

 CB_A:38 -       Distance        Angles
 CA_A:38   1.5077 (0.0109) 
                 CB_A:38        

 C_A:38 -        Distance        Angles
 O_A:38    1.2202 (0.0084) 
 N_A:39^b  1.2962 (0.0170)  122.24 (1.80)
 N_A:39^a  1.3309 (0.0116)  123.96 (0.94)   8.18 (2.57)
 CA_A:38   1.5230 (0.0090)  118.48 (0.73) 118.76 (1.69) 117.55 (0.84)
                 C_A:38          O_A:38        N_A:39^b      N_A:39^a     

 O_A:38 -        Distance        Angles
 C_A:38    1.2202 (0.0084) 
                 O_A:38         

 N_A:39^a -      Distance        Angles
 C_A:38    1.3309 (0.0116) 
 CA_A:39^a 1.4848 (0.0166)  123.41 (1.35)
                 N_A:39^a        C_A:38       

 CA_A:39^a -     Distance        Angles
 N_A:39^a  1.4848 (0.0166) 
 C_A:39^a  1.5295 (0.0233)  110.44 (1.51)
 CB_A:39^a 1.5305 (0.0209)  111.86 (1.16) 111.76 (1.68)
                 CA_A:39^a       N_A:39^a      C_A:39^a     

 CB_A:39^a -     Distance        Angles
 OG1_A:39^ 1.4268 (0.0181) 
 CA_A:39^a 1.5305 (0.0209)  109.27 (1.72)
 CG2_A:39^ 1.6138 (0.0301)  107.11 (1.47) 106.26 (1.86)
                 CB_A:39^a       OG1_A:39^a    CA_A:39^a    

 OG1_A:39^a -    Distance        Angles
 CB_A:39^a 1.4268 (0.0181) 
                 OG1_A:39^a     

 CG2_A:39^a -    Distance        Angles
 CB_A:39^a 1.6138 (0.0301) 
                 CG2_A:39^a     

 C_A:39^a -      Distance        Angles
 O_A:39^a  1.2194 (0.0307) 
 N_A:40    1.3449 (0.0139)  123.98 (1.68)
 CA_A:39^a 1.5295 (0.0233)  122.96 (1.57) 113.06 (1.73)
                 C_A:39^a        O_A:39^a      N_A:40       

 O_A:39^a -      Distance        Angles
 C_A:39^a  1.2194 (0.0307) 
                 O_A:39^a       

 N_A:39^b -      Distance        Angles
 C_A:38    1.2962 (0.0170) 
 CA_A:39^b 1.4123 (0.0401)  119.89 (3.18)
                 N_A:39^b        C_A:38       

 CA_A:39^b -     Distance        Angles
 N_A:39^b  1.4123 (0.0401) 
 CB_A:39^b 1.4830 (0.0660)  105.55 (3.09)
 C_A:39^b  1.5071 (0.0488)  108.77 (3.54) 108.64 (4.05)
                 CA_A:39^b       N_A:39^b      CB_A:39^b    

 CB_A:39^b -     Distance        Angles
 OG1_A:39^ 1.4660 (0.0596) 
 CA_A:39^b 1.4830 (0.0661)  109.26 (5.09)
 CG2_A:39^ 1.4940 (0.0201)  102.30 (3.46) 114.84 (4.00)
                 CB_A:39^b       OG1_A:39^b    CA_A:39^b    

 CG2_A:39^b -    Distance        Angles
 CB_A:39^b 1.4940 (0.0201) 
                 CG2_A:39^b     

 OG1_A:39^b -    Distance        Angles
 CB_A:39^b 1.4660 (0.0596) 
                 OG1_A:39^b     

 C_A:39^b -      Distance        Angles
 O_A:39^b  1.2260 (0.0532) 
 N_A:40    1.3258 (0.0147)  120.28 (3.28)
 CA_A:39^b 1.5071 (0.0488)  121.90 (3.15) 117.74 (3.16)
                 C_A:39^b        O_A:39^b      N_A:40       

 O_A:39^b -      Distance        Angles
 C_A:39^b  1.2260 (0.0532) 
                 O_A:39^b       

 N_A:40 -        Distance        Angles
 C_A:39^b  1.3258 (0.0147) 
 C_A:39^a  1.3449 (0.0139)    9.84 (2.97)
 CA_A:40   1.4591 (0.0043)  124.85 (1.68) 117.38 (0.98)
                 N_A:40          C_A:39^b      C_A:39^a     

 CB_A:40 -       Distance        Angles
 CA_A:40   1.5272 (0.0063) 
 SG_A:40   1.8196 (0.0050)  113.60 (0.27)
                 CB_A:40         CA_A:40      

 CA_A:40 -       Distance        Angles
 N_A:40    1.4591 (0.0043) 
 C_A:40    1.5138 (0.0064)  110.39 (0.30)
 CB_A:40   1.5272 (0.0063)  109.36 (0.38) 109.09 (0.33)
                 CA_A:40         N_A:40        C_A:40       

 SG_A:40 -       Distance        Angles
 CB_A:40   1.8196 (0.0050) 
 SG_A:3    2.0089 (0.0023)  102.93 (0.17)
                 SG_A:40         CB_A:40      

 C_A:40 -        Distance        Angles
 O_A:40    1.2414 (0.0063) 
 N_A:41    1.3299 (0.0068)  121.98 (0.47)
 CA_A:40   1.5138 (0.0064)  120.63 (0.46) 117.28 (0.40)
                 C_A:40          O_A:40        N_A:41       

 O_A:40 -        Distance        Angles
 C_A:40    1.2414 (0.0063) 
                 O_A:40         

 N_A:41 -        Distance        Angles
 C_A:40    1.3299 (0.0068) 
 CD_A:41   1.4534 (0.0083)  126.86 (0.48)
 CA_A:41   1.4665 (0.0071)  119.88 (0.47) 113.26 (0.50)
                 N_A:41          C_A:40        CD_A:41      

 CA_A:41 -       Distance        Angles
 N_A:41    1.4665 (0.0071) 
 CB_A:41   1.4936 (0.0108)  101.99 (0.62)
 C_A:41    1.5096 (0.0085)  111.41 (0.47) 113.22 (0.52)
                 CA_A:41         N_A:41        CB_A:41      

 CG_A:41 -       Distance        Angles
 CB_A:41   1.4948 (0.0130) 
 CD_A:41   1.5012 (0.0110)  105.42 (0.72)
                 CG_A:41         CB_A:41      

 CB_A:41 -       Distance        Angles
 CA_A:41   1.4936 (0.0108) 
 CG_A:41   1.4948 (0.0130)  103.56 (0.68)
                 CB_A:41         CA_A:41      

 CD_A:41 -       Distance        Angles
 N_A:41    1.4534 (0.0083) 
 CG_A:41   1.5012 (0.0110)  101.70 (0.70)
                 CD_A:41         N_A:41       

 C_A:41 -        Distance        Angles
 O_A:41    1.2248 (0.0058) 
 N_A:42    1.3376 (0.0063)  122.35 (0.54)
 CA_A:41   1.5096 (0.0085)  123.26 (0.46) 114.36 (0.46)
                 C_A:41          O_A:41        N_A:42       

 O_A:41 -        Distance        Angles
 C_A:41    1.2248 (0.0058) 
                 O_A:41         

 N_A:42 -        Distance        Angles
 C_A:41    1.3376 (0.0063) 
 CA_A:42   1.4474 (0.0092)  121.22 (0.50)
                 N_A:42          C_A:41       

 CA_A:42 -       Distance        Angles
 N_A:42    1.4474 (0.0092) 
 C_A:42    1.5124 (0.0078)  116.92 (0.43)
                 CA_A:42         N_A:42       

 C_A:42 -        Distance        Angles
 O_A:42    1.2136 (0.0076) 
 N_A:43^b  1.3266 (0.0123)  121.83 (0.80)
 N_A:43^a  1.3454 (0.0114)  124.58 (0.82)   2.85 (1.30)
 CA_A:42   1.5124 (0.0078)  118.93 (0.48) 119.23 (0.83) 116.49 (0.82)
                 C_A:42          O_A:42        N_A:43^b      N_A:43^a     

 O_A:42 -        Distance        Angles
 C_A:42    1.2136 (0.0076) 
                 O_A:42         

 N_A:43^a -      Distance        Angles
 C_A:42    1.3454 (0.0114) 
 CA_A:43^a 1.4569 (0.0133)  121.31 (1.20)
                 N_A:43^a        C_A:42       

 CA_A:43^a -     Distance        Angles
 N_A:43^a  1.4569 (0.0133) 
 CB_A:43^a 1.5156 (0.0135)  115.78 (1.28)
 C_A:43^a  1.5390 (0.0133)  109.54 (1.05) 109.34 (1.06)
                 CA_A:43^a       N_A:43^a      CB_A:43^a    

 CB_A:43^a -     Distance        Angles
 CG_A:43^a 1.4805 (0.0156) 
 CA_A:43^a 1.5156 (0.0135)  116.48 (1.11)
                 CB_A:43^a       CG_A:43^a    

 CG_A:43^a -     Distance        Angles
 OD2_A:43^ 1.2341 (0.0120) 
 OD1_A:43^ 1.2793 (0.0154)  117.48 (1.79)
 CB_A:43^a 1.4805 (0.0156)  122.78 (1.48) 119.36 (1.20)
                 CG_A:43^a       OD2_A:43^a    OD1_A:43^a   

 OD1_A:43^a -    Distance        Angles
 CG_A:43^a 1.2793 (0.0154) 
                 OD1_A:43^a     

 OD2_A:43^a -    Distance        Angles
 CG_A:43^a 1.2341 (0.0119) 
                 OD2_A:43^a     

 C_A:43^a -      Distance        Angles
 O_A:43^a  1.2309 (0.0136) 
 N_A:44    1.3129 (0.0119)  119.78 (1.42)
 CA_A:43^a 1.5390 (0.0133)  119.28 (1.33) 120.93 (1.13)
                 C_A:43^a        O_A:43^a      N_A:44       

 O_A:43^a -      Distance        Angles
 C_A:43^a  1.2309 (0.0136) 
                 O_A:43^a       

 N_A:43^b -      Distance        Angles
 C_A:42    1.3266 (0.0123) 
 CA_A:43^b 1.4613 (0.0136)  121.64 (1.19)
                 N_A:43^b        C_A:42       

 CA_A:43^b -     Distance        Angles
 N_A:43^b  1.4613 (0.0136) 
 CB_A:43^b 1.5249 (0.0148)  109.80 (1.49)
 C_A:43^b  1.5398 (0.0140)  115.82 (1.10) 112.61 (1.32)
                 CA_A:43^b       N_A:43^b      CB_A:43^b    

 CB_A:43^b -     Distance        Angles
 CG_A:43^b 1.4779 (0.0165) 
 CA_A:43^b 1.5249 (0.0148)  116.77 (1.45)
                 CB_A:43^b       CG_A:43^b    

 OD1_A:43^b -    Distance        Angles
 CG_A:43^b 1.2576 (0.0144) 
                 OD1_A:43^b     

 OD2_A:43^b -    Distance        Angles
 CG_A:43^b 1.2829 (0.0153) 
                 OD2_A:43^b     

 CG_A:43^b -     Distance        Angles
 OD1_A:43^ 1.2576 (0.0144) 
 OD2_A:43^ 1.2829 (0.0153)  118.17 (1.79)
 CB_A:43^b 1.4779 (0.0165)  122.10 (1.66) 119.72 (1.38)
                 CG_A:43^b       OD1_A:43^b    OD2_A:43^b   

 C_A:43^b -      Distance        Angles
 O_A:43^b  1.2126 (0.0147) 
 N_A:44    1.3581 (0.0108)  127.23 (1.31)
 CA_A:43^b 1.5398 (0.0139)  119.34 (1.16) 113.29 (1.18)
                 C_A:43^b        O_A:43^b      N_A:44       

 O_A:43^b -      Distance        Angles
 C_A:43^b  1.2126 (0.0147) 
                 O_A:43^b       

 N_A:44 -        Distance        Angles
 C_A:43^a  1.3129 (0.0119) 
 C_A:43^b  1.3581 (0.0108)    5.96 (1.35)
 CA_A:44   1.4527 (0.0036)  126.35 (0.73) 121.00 (0.73)
                 N_A:44          C_A:43^a      C_A:43^b     

 CA_A:44 -       Distance        Angles
 N_A:44    1.4527 (0.0036) 
 CB_A:44   1.5210 (0.0045)  113.39 (0.25)
 C_A:44    1.5431 (0.0038)  107.40 (0.22) 111.56 (0.23)
                 CA_A:44         N_A:44        CB_A:44      

 CB_A:44 -       Distance        Angles
 CG_A:44   1.5041 (0.0049) 
 CA_A:44   1.5210 (0.0045)  113.19 (0.23)
                 CB_A:44         CG_A:44      

 CG_A:44 -       Distance        Angles
 CD1_A:44  1.3812 (0.0050) 
 CD2_A:44  1.3900 (0.0050)  118.32 (0.32)
 CB_A:44   1.5041 (0.0049)  123.24 (0.31) 118.44 (0.31)
                 CG_A:44         CD1_A:44      CD2_A:44     

 CD1_A:44 -      Distance        Angles
 CE1_A:44  1.3732 (0.0058) 
 CG_A:44   1.3812 (0.0050)  121.33 (0.34)
                 CD1_A:44        CE1_A:44     

 CD2_A:44 -      Distance        Angles
 CE2_A:44  1.3873 (0.0056) 
 CG_A:44   1.3900 (0.0050)  121.44 (0.34)
                 CD2_A:44        CE2_A:44     

 CE1_A:44 -      Distance        Angles
 CD1_A:44  1.3732 (0.0058) 
 CZ_A:44   1.4066 (0.0059)  119.30 (0.36)
                 CE1_A:44        CD1_A:44     

 CE2_A:44 -      Distance        Angles
 CZ_A:44   1.3665 (0.0060) 
 CD2_A:44  1.3873 (0.0056)  119.25 (0.34)
                 CE2_A:44        CZ_A:44      

 CZ_A:44 -       Distance        Angles
 CE2_A:44  1.3665 (0.0060) 
 OH_A:44   1.3691 (0.0049)  121.86 (0.37)
 CE1_A:44  1.4066 (0.0059)  120.35 (0.34) 117.79 (0.37)
                 CZ_A:44         CE2_A:44      OH_A:44      

 OH_A:44 -       Distance        Angles
 CZ_A:44   1.3691 (0.0049) 
                 OH_A:44        

 C_A:44 -        Distance        Angles
 O_A:44    1.2279 (0.0036) 
 N_A:45    1.3259 (0.0044)  124.25 (0.28)
 CA_A:44   1.5431 (0.0038)  121.91 (0.30) 113.84 (0.23)
                 C_A:44          O_A:44        N_A:45       

 O_A:44 -        Distance        Angles
 C_A:44    1.2279 (0.0036) 
                 O_A:44         

 N_A:45 -        Distance        Angles
 C_A:44    1.3259 (0.0044) 
 CA_A:45   1.4605 (0.0038)  123.73 (0.25)
                 N_A:45          C_A:44       

 CA_A:45 -       Distance        Angles
 N_A:45    1.4605 (0.0038) 
 CB_A:45   1.5175 (0.0058)  108.90 (0.26)
 C_A:45    1.5230 (0.0044)  114.32 (0.23) 109.12 (0.34)
                 CA_A:45         N_A:45        CB_A:45      

 CB_A:45 -       Distance        Angles
 CA_A:45   1.5175 (0.0058) 
                 CB_A:45        

 C_A:45 -        Distance        Angles
 O_A:45    1.2355 (0.0037) 
 N_A:46    1.3252 (0.0037)  124.36 (0.29)
 CA_A:45   1.5230 (0.0044)  118.59 (0.25) 117.01 (0.24)
                 C_A:45          O_A:45        N_A:46       

 O_A:45 -        Distance        Angles
 C_A:45    1.2355 (0.0037) 
                 O_A:45         

 N_A:46 -        Distance        Angles
 C_A:45    1.3252 (0.0037) 
 CA_A:46   1.4513 (0.0040)  123.76 (0.24)
                 N_A:46          C_A:45       

 CA_A:46 -       Distance        Angles
 N_A:46    1.4513 (0.0040) 
 C_A:46    1.5308 (0.0054)  112.44 (0.30)
 CB_A:46   1.5353 (0.0051)  109.24 (0.29) 112.28 (0.27)
                 CA_A:46         N_A:46        C_A:46       

 CB_A:46 -       Distance        Angles
 CG_A:46   1.5057 (0.0080) 
 CA_A:46   1.5353 (0.0051)  112.23 (0.33)
                 CB_A:46         CG_A:46      

 CG_A:46 -       Distance        Angles
 OD1_A:46  1.2263 (0.0079) 
 ND2_A:46  1.3143 (0.0086)  124.16 (0.68)
 CB_A:46   1.5057 (0.0080)  119.77 (0.60) 115.99 (0.53)
                 CG_A:46         OD1_A:46      ND2_A:46     

 ND2_A:46 -      Distance        Angles
 CG_A:46   1.3143 (0.0086) 
                 ND2_A:46       

 OD1_A:46 -      Distance        Angles
 CG_A:46   1.2263 (0.0079) 
                 OD1_A:46       

 C_A:46 -        Distance        Angles
 OT1_A:46  1.2513 (0.0049) 
 OT2_A:46  1.2524 (0.0045)  124.70 (0.38)
 CA_A:46   1.5308 (0.0054)  119.46 (0.29) 115.84 (0.35)
                 C_A:46          OT1_A:46      OT2_A:46     

 OT1_A:46 -      Distance        Angles
 C_A:46    1.2513 (0.0049) 
                 OT1_A:46       

 OT2_A:46 -      Distance        Angles
 C_A:46    1.2524 (0.0045) 
                 OT2_A:46       

