NBONDS: found 121504 intra-atom interactions ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ CLASS DIST +++++++++++++++++++++++++++++++++++ for this class: SCALe= 50.000 AVERage=sum POTEntial=soft-square SQCOnstant= 1.000 SQEXponent= 2 SQOFfsets(+/-)= 0.000 0.000 SOEXponent= 1 RSWItch= 0.500 ASYMptote= 0.100 ========== spectrum 1 restraint 352 ========== set-i-atoms 28 ALA HN set-j-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 R= 5.019 NOE= 4.36 (- 2.56/+ 0.65) Delta= -0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.181 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.101 E(NOE)= 0.506 ========== spectrum 1 restraint 857 ========== set-i-atoms 28 ALA HB1 28 ALA HB2 28 ALA HB3 set-j-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 R= 4.079 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.019 E(NOE)= 0.018 ========== spectrum 1 restraint 1163 ========== set-i-atoms 36 PRO HB2 set-j-atoms 39 LYS HD2 R= 6.183 NOE= 5.36 (- 3.56/+ 0.80) Delta= -0.023 E(NOE)= 0.027 ========== spectrum 1 restraint 1239 ========== set-i-atoms 27 ARG HB1 set-j-atoms 64 LEU HD21 64 LEU HD22 64 LEU HD23 R= 1.789 NOE= 3.71 (- 1.91/+ 0.56) Delta= 0.011 E(NOE)= 0.006 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.531 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.031 E(NOE)= 0.049 ========== spectrum 1 restraint 1354 ========== set-i-atoms 31 MET HG1 set-j-atoms 33 ILE HD11 33 ILE HD12 33 ILE HD13 R= 4.624 NOE= 4.00 (- 2.20/+ 0.60) Delta= -0.024 E(NOE)= 0.030 ========== spectrum 1 restraint 1363 ========== set-i-atoms 46 ASP HA set-j-atoms 49 ASN HB1 R= 5.552 NOE= 4.80 (- 3.00/+ 0.72) Delta= -0.032 E(NOE)= 0.050 ========== spectrum 1 restraint 1418 ========== set-i-atoms 36 PRO HB1 set-j-atoms 39 LYS HD2 R= 6.578 NOE= 5.71 (- 3.91/+ 0.86) Delta= -0.008 E(NOE)= 0.004 ========== spectrum 1 restraint 1541 ========== set-i-atoms 70 ARG HA set-j-atoms 73 LYS HB2 R= 4.989 NOE= 4.33 (- 2.53/+ 0.65) Delta= -0.009 E(NOE)= 0.004 ========== spectrum 1 restraint 1658 ========== set-i-atoms 54 ARG HB1 set-j-atoms 55 TYR HE1 55 TYR HE2 R= 4.327 NOE= 3.74 (- 1.94/+ 0.56) Delta= -0.027 E(NOE)= 0.037 ========== spectrum 1 restraint 2005 ========== set-i-atoms 76 VAL HG11 76 VAL HG12 76 VAL HG13 76 VAL HG21 76 VAL HG22 76 VAL HG23 set-j-atoms 80 ASN HD21 80 ASN HD22 R= 4.632 NOE= 3.96 (- 2.16/+ 0.59) Delta= -0.082 E(NOE)= 0.336 NOEPRI: RMS diff. = 0.003, #(violat.> 0.0)= 12 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.003, #(viol.> 0.0)= 12 of 2047 NOEs ======================================== 46 ASP N 46 ASP CA 46 ASP C 47 ASP N Dihedral= -62.528 Energy= 0.000 C= 1.000 Equil= -42.400 Delta= 0.128 Range= 20.000 Exponent= 2 ======================================== 52 LEU C 53 ALA N 53 ALA CA 53 ALA C Dihedral= -88.653 Energy= 0.000 C= 1.000 Equil= -68.600 Delta= 0.053 Range= 20.000 Exponent= 2 ======================================== 72 GLY N 72 GLY CA 72 GLY C 73 LYS N Dihedral= -49.245 Energy= 0.000 C= 1.000 Equil= -23.650 Delta= 0.345 Range= 25.250 Exponent= 2 (atom-i |atom-j ) dist. equil. delta energy const. (atom-i |atom-j |atom-k ) angle equil. delta energy const. (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 4 CA | 4 C | 5 N | 5 CA ) 172.926 180.000 7.074 1.524 100.000 0 ( 13 CA | 13 C | 14 N | 14 CA ) 174.847 180.000 5.153 0.809 100.000 0 ( 23 CA | 23 C | 24 N | 24 CA ) 173.204 180.000 6.796 1.407 100.000 0 ( 24 CA | 24 C | 25 N | 25 CA ) 172.375 180.000 7.625 1.771 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 172.766 180.000 7.234 1.594 100.000 0 ( 33 CA | 33 C | 34 N | 34 CA ) -172.642 180.000 -7.358 1.649 100.000 0 ( 35 CA | 35 C | 36 N | 36 CA ) -173.433 180.000 -6.567 1.314 100.000 0 ( 37 CA | 37 C | 38 N | 38 CA ) 173.229 180.000 6.771 1.397 100.000 0 ( 57 CA | 57 C | 58 N | 58 CA ) 174.642 180.000 5.358 0.875 100.000 0 ( 73 CA | 73 C | 74 N | 74 CA ) 174.076 180.000 5.924 1.069 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) 92.558 180.000 87.442 0.358 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) 92.558 60.000 -32.558 0.255 0.225 3 ( 1 C | 2 N | 2 CA | 2 C ) 92.558 135.000 42.442 0.298 0.150 4 ( 1 CB | 1 CA | 1 C | 2 N ) -93.518 -180.000 -86.482 0.469 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -93.518 -60.000 33.518 0.355 0.300 3 ( 1 CB | 1 CA | 1 C | 2 N ) -93.518 -135.000 -41.482 0.394 0.200 4 ( 1 CB | 1 CA | 1 C | 1 O ) 86.772 180.000 93.228 0.396 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 86.772 45.000 -41.772 0.296 0.150 4 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) -116.948 -180.000 -63.052 0.328 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -82.873 -180.000 -97.127 0.422 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -82.873 -45.000 37.873 0.282 0.150 4 ( 2 C | 3 N | 3 CA | 3 CB ) 155.945 90.000 -65.945 0.667 0.400 2 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) 109.111 180.000 70.889 0.404 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) -59.400 -180.000 -120.600 0.566 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -59.400 -90.000 -30.600 0.155 0.300 2 ( 3 C | 4 N | 4 CA | 4 CB ) 177.534 90.000 -87.534 0.799 0.400 2 ( 3 C | 4 N | 4 CA | 4 CB ) 177.534 135.000 -42.534 0.397 0.200 4 ( 3 CB | 3 CA | 3 C | 4 N ) -115.330 -180.000 -64.670 0.286 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -115.330 -60.000 55.330 0.591 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) 64.891 180.000 115.109 0.534 0.375 1 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) 83.557 180.000 96.443 0.667 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) 56.222 180.000 123.778 0.583 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) 56.222 90.000 33.778 0.185 0.300 2 ( 4 C | 5 N | 5 CA | 5 CB ) -66.815 -180.000 -113.185 0.697 0.500 1 ( 4 C | 5 N | 5 CA | 5 CB ) -66.815 -36.000 30.815 0.190 0.100 5 ( 4 CB | 4 CA | 4 C | 5 N ) 56.009 180.000 123.991 0.780 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) 56.009 90.000 33.991 0.250 0.400 2 ( 4 CB | 4 CA | 4 C | 4 O ) -123.332 -180.000 -56.668 0.169 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) -123.332 -90.000 33.332 0.181 0.300 2 ( 4 CB | 4 CA | 4 C | 4 O ) -123.332 -180.000 -56.668 0.447 0.225 3 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) 133.773 180.000 46.227 0.185 0.600 1 ( 6 CD2 | 6 CG | 6 CB | 6 CA ) -47.569 -90.000 -42.431 0.728 0.800 2 ( 5 C | 6 N | 6 CA | 6 C ) -76.010 -180.000 -103.990 0.466 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) -76.010 -45.000 31.010 0.234 0.150 4 ( 5 C | 6 N | 6 CA | 6 C ) -76.010 -108.000 -31.990 0.145 0.075 5 ( 5 C | 6 N | 6 CA | 6 CB ) 161.540 90.000 -71.540 0.720 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) 157.839 90.000 -67.839 0.686 0.400 2 ( 5 CB | 5 CA | 5 C | 5 O ) -23.571 -180.000 -156.429 0.719 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) -23.571 -90.000 -66.429 0.504 0.300 2 ( 5 CB | 5 CA | 5 C | 5 O ) -23.571 -60.000 -36.429 0.299 0.225 3 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) -89.537 -180.000 -90.463 0.605 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -71.678 -180.000 -108.322 0.493 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) -71.678 -36.000 35.678 0.150 0.075 5 ( 6 C | 7 N | 7 CA | 7 CB ) 166.266 90.000 -76.266 0.755 0.400 2 ( 6 C | 7 N | 7 CA | 7 CB ) 166.266 135.000 -31.266 0.315 0.200 4 ( 6 CB | 6 CA | 6 C | 7 N ) -119.125 -180.000 -60.875 0.257 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -119.125 -60.000 59.125 0.600 0.300 3 ( 6 CB | 6 CA | 6 C | 6 O ) 60.305 180.000 119.695 0.561 0.375 1 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) 117.322 180.000 62.678 0.325 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -100.501 -180.000 -79.499 0.307 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -100.501 -60.000 40.501 0.343 0.225 3 ( 7 C | 8 N | 8 CA | 8 C ) -100.501 -135.000 -34.499 0.261 0.150 4 ( 7 C | 8 N | 8 CA | 8 CB ) 136.627 180.000 43.373 0.137 0.500 1 ( 7 C | 8 N | 8 CA | 8 CB ) 136.627 90.000 -46.627 0.423 0.400 2 ( 7 C | 8 N | 8 CA | 8 CB ) 136.627 180.000 43.373 0.493 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -124.702 -180.000 -55.298 0.215 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) -124.702 -90.000 34.702 0.259 0.400 2 ( 7 CB | 7 CA | 7 C | 8 N ) -124.702 -180.000 -55.298 0.591 0.300 3 ( 7 CB | 7 CA | 7 C | 7 O ) 56.017 180.000 123.983 0.585 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) 56.017 90.000 33.983 0.187 0.300 2 ( 8 C | 9 N | 9 CA | 9 C ) -155.880 -90.000 65.880 0.500 0.300 2 ( 8 C | 9 N | 9 CA | 9 CB ) 81.373 180.000 98.627 0.575 0.500 1 ( 8 C | 9 N | 9 CA | 9 CB ) 81.373 45.000 -36.373 0.365 0.200 4 ( 8 CB | 8 CA | 8 C | 9 N ) 79.417 180.000 100.583 0.592 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) 79.417 45.000 -34.417 0.348 0.200 4 ( 8 CB | 8 CA | 8 C | 8 O ) -100.903 -180.000 -79.097 0.304 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) -100.903 -60.000 40.903 0.347 0.225 3 ( 8 CB | 8 CA | 8 C | 8 O ) -100.903 -135.000 -34.097 0.259 0.150 4 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) -88.872 -180.000 -91.128 0.612 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -152.529 -90.000 62.529 0.472 0.300 2 ( 9 C | 10 N | 10 CA | 10 CB ) 85.573 180.000 94.427 0.539 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 85.573 45.000 -40.573 0.391 0.200 4 ( 9 CB | 9 CA | 9 C | 10 N ) -59.322 -180.000 -120.678 0.755 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -59.322 -90.000 -30.678 0.208 0.400 2 ( 9 CB | 9 CA | 9 C | 9 O ) 121.351 180.000 58.649 0.180 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 121.351 90.000 -31.351 0.162 0.300 2 ( 9 CB | 9 CA | 9 C | 9 O ) 121.351 180.000 58.649 0.449 0.225 3 ( 10 C | 11 N | 11 CA | 11 C ) -95.587 -180.000 -84.413 0.338 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -95.587 -60.000 35.587 0.290 0.225 3 ( 10 C | 11 N | 11 CA | 11 C ) -95.587 -135.000 -39.413 0.289 0.150 4 ( 10 C | 11 N | 11 CA | 11 CB ) 141.134 180.000 38.866 0.111 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 141.134 90.000 -51.134 0.485 0.400 2 ( 10 C | 11 N | 11 CA | 11 CB ) 141.134 180.000 38.866 0.434 0.300 3 ( 10 C | 11 N | 11 CA | 11 CB ) 141.134 108.000 -33.134 0.197 0.100 5 ( 10 CB | 10 CA | 10 C | 11 N ) -115.281 -180.000 -64.719 0.286 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) -115.281 -60.000 55.281 0.591 0.300 3 ( 10 CB | 10 CA | 10 C | 10 O ) 64.969 180.000 115.031 0.534 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) -164.124 -90.000 74.124 0.555 0.300 2 ( 11 C | 12 N | 12 CA | 12 CB ) 73.361 180.000 106.639 0.643 0.500 1 ( 11 C | 12 N | 12 CA | 12 CB ) 73.361 108.000 34.639 0.199 0.100 5 ( 11 CB | 11 CA | 11 C | 12 N ) -94.022 -180.000 -85.978 0.465 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -94.022 -60.000 34.022 0.363 0.300 3 ( 11 CB | 11 CA | 11 C | 12 N ) -94.022 -135.000 -40.978 0.392 0.200 4 ( 11 CB | 11 CA | 11 C | 11 O ) 86.125 180.000 93.875 0.400 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 86.125 45.000 -41.125 0.295 0.150 4 ( 12 C | 13 N | 13 CA | 13 C ) -114.369 -180.000 -65.631 0.220 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -114.369 -60.000 54.369 0.440 0.225 3 ( 12 C | 13 N | 13 CA | 13 CB ) 122.569 180.000 57.431 0.231 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) 122.569 90.000 -32.569 0.232 0.400 2 ( 12 C | 13 N | 13 CA | 13 CB ) 122.569 180.000 57.431 0.597 0.300 3 ( 12 CB | 12 CA | 12 C | 13 N ) -69.542 -180.000 -110.458 0.675 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -69.542 -36.000 33.542 0.198 0.100 5 ( 12 CB | 12 CA | 12 C | 12 O ) 110.919 180.000 69.081 0.241 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) 110.919 60.000 -50.919 0.425 0.225 3 ( 13 CB | 13 CA | 13 C | 14 N ) -138.992 -180.000 -41.008 0.123 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -138.992 -90.000 48.992 0.456 0.400 2 ( 13 CB | 13 CA | 13 C | 14 N ) -138.992 -180.000 -41.008 0.463 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -138.992 -108.000 30.992 0.191 0.100 5 ( 13 CB | 13 CA | 13 C | 13 O ) 42.535 180.000 137.465 0.651 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 42.535 90.000 47.465 0.326 0.300 2 ( 14 C | 15 N | 15 CA | 15 C ) -165.366 -90.000 75.366 0.562 0.300 2 ( 14 C | 15 N | 15 CA | 15 C ) -165.366 -135.000 30.366 0.228 0.150 4 ( 14 C | 15 N | 15 CA | 15 CB ) 72.605 180.000 107.395 0.649 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 72.605 108.000 35.395 0.200 0.100 5 ( 14 CB | 14 CA | 14 C | 15 N ) -103.806 -180.000 -76.194 0.381 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -103.806 -60.000 43.806 0.498 0.300 3 ( 14 CB | 14 CA | 14 C | 15 N ) -103.806 -135.000 -31.194 0.314 0.200 4 ( 14 CB | 14 CA | 14 C | 14 O ) 75.939 180.000 104.061 0.466 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 75.939 45.000 -30.939 0.233 0.150 4 ( 14 CB | 14 CA | 14 C | 14 O ) 75.939 108.000 32.061 0.146 0.075 5 ( 15 C | 16 N | 16 CA | 16 C ) -99.684 -180.000 -80.316 0.312 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -99.684 -60.000 39.684 0.334 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -99.684 -135.000 -35.316 0.267 0.150 4 ( 15 C | 16 N | 16 CA | 16 CB ) 137.682 180.000 42.318 0.130 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 137.682 90.000 -47.682 0.437 0.400 2 ( 15 C | 16 N | 16 CA | 16 CB ) 137.682 180.000 42.318 0.480 0.300 3 ( 15 CB | 15 CA | 15 C | 16 N ) -74.991 -180.000 -105.009 0.629 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) -74.991 -108.000 -33.009 0.197 0.100 5 ( 15 CB | 15 CA | 15 C | 15 O ) 105.600 180.000 74.400 0.274 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) 105.600 60.000 -45.600 0.389 0.225 3 ( 17 CZ | 17 NE | 17 CD | 17 CG ) 96.190 180.000 83.810 1.784 2.000 1 ( 16 C | 17 N | 17 CA | 17 C ) -67.320 -180.000 -112.680 0.520 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -67.320 -36.000 31.320 0.144 0.075 5 ( 16 C | 17 N | 17 CA | 17 CB ) 169.628 90.000 -79.628 0.774 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 169.628 135.000 -34.628 0.350 0.200 4 ( 16 CB | 16 CA | 16 C | 17 N ) -131.081 -180.000 -48.919 0.171 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -131.081 -90.000 41.081 0.345 0.400 2 ( 16 CB | 16 CA | 16 C | 17 N ) -131.081 -180.000 -48.919 0.551 0.300 3 ( 16 CB | 16 CA | 16 C | 16 O ) 49.512 180.000 130.488 0.618 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 49.512 90.000 40.488 0.253 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) 174.615 90.000 -84.615 0.595 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) 174.615 135.000 -39.615 0.290 0.150 4 ( 17 CB | 17 CA | 17 C | 18 N ) -136.791 -180.000 -43.209 0.136 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -136.791 -90.000 46.791 0.425 0.400 2 ( 17 CB | 17 CA | 17 C | 18 N ) -136.791 -180.000 -43.209 0.491 0.300 3 ( 17 CB | 17 CA | 17 C | 17 O ) 44.327 180.000 135.673 0.643 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 44.327 90.000 45.673 0.307 0.300 2 ( 18 C | 19 N | 19 CA | 19 C ) -169.219 -90.000 79.219 0.579 0.300 2 ( 18 C | 19 N | 19 CA | 19 C ) -169.219 -135.000 34.219 0.259 0.150 4 ( 18 C | 19 N | 19 CA | 19 CB ) 68.601 180.000 111.399 0.682 0.500 1 ( 18 C | 19 N | 19 CA | 19 CB ) 68.601 36.000 -32.601 0.196 0.100 5 ( 19 C | 20 N | 20 CA | 20 C ) -98.181 -180.000 -81.819 0.322 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -98.181 -60.000 38.181 0.318 0.225 3 ( 19 C | 20 N | 20 CA | 20 C ) -98.181 -135.000 -36.819 0.276 0.150 4 ( 19 C | 20 N | 20 CA | 20 CB ) 139.012 180.000 40.988 0.123 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 139.012 90.000 -49.012 0.456 0.400 2 ( 19 C | 20 N | 20 CA | 20 CB ) 139.012 180.000 40.988 0.463 0.300 3 ( 19 C | 20 N | 20 CA | 20 CB ) 139.012 108.000 -31.012 0.191 0.100 5 ( 19 CB | 19 CA | 19 C | 20 N ) 85.062 180.000 94.938 0.543 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) 85.062 45.000 -40.062 0.388 0.200 4 ( 19 CB | 19 CA | 19 C | 19 O ) -95.352 -180.000 -84.648 0.340 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) -95.352 -60.000 35.352 0.287 0.225 3 ( 19 CB | 19 CA | 19 C | 19 O ) -95.352 -135.000 -39.648 0.290 0.150 4 ( 20 C | 21 N | 21 CA | 21 C ) 110.285 180.000 69.715 0.245 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) 110.285 60.000 -50.285 0.422 0.225 3 ( 20 CB | 20 CA | 20 C | 21 N ) -47.915 -180.000 -132.085 0.835 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) -47.915 -90.000 -42.085 0.359 0.400 2 ( 20 CB | 20 CA | 20 C | 20 O ) 132.275 180.000 47.725 0.123 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 132.275 90.000 -42.275 0.272 0.300 2 ( 20 CB | 20 CA | 20 C | 20 O ) 132.275 180.000 47.725 0.405 0.225 3 ( 21 C | 22 N | 22 CA | 22 C ) -66.522 -180.000 -113.478 0.524 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -66.522 -36.000 30.522 0.142 0.075 5 ( 21 C | 22 N | 22 CA | 22 CB ) 171.663 90.000 -81.663 0.783 0.400 2 ( 21 C | 22 N | 22 CA | 22 CB ) 171.663 135.000 -36.663 0.367 0.200 4 ( 23 CZ | 23 NE | 23 CD | 23 CG ) 67.288 180.000 112.712 2.772 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -60.097 -180.000 -119.903 0.562 0.375 1 ( 22 C | 23 N | 23 CA | 23 CB ) 176.090 90.000 -86.090 0.796 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) 176.090 135.000 -41.090 0.393 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -82.199 -180.000 -97.801 0.568 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -82.199 -45.000 37.199 0.371 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 97.054 180.000 82.946 0.329 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 97.054 60.000 -37.054 0.306 0.225 3 ( 22 CB | 22 CA | 22 C | 22 O ) 97.054 135.000 37.946 0.282 0.150 4 ( 23 C | 24 N | 24 CA | 24 C ) -70.494 -180.000 -109.506 0.500 0.375 1 ( 23 C | 24 N | 24 CA | 24 C ) -70.494 -36.000 34.494 0.149 0.075 5 ( 23 C | 24 N | 24 CA | 24 CB ) 165.554 90.000 -75.554 0.750 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 165.554 135.000 -30.554 0.307 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 98.551 180.000 81.449 0.426 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 98.551 60.000 -38.551 0.430 0.300 3 ( 23 CB | 23 CA | 23 C | 24 N ) 98.551 135.000 36.449 0.365 0.200 4 ( 23 CB | 23 CA | 23 C | 23 O ) -80.776 -180.000 -99.224 0.435 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -80.776 -45.000 35.776 0.270 0.150 4 ( 25 OE1 | 25 CD | 25 CG | 25 CB ) 120.590 90.000 -30.590 0.518 1.000 2 ( 24 C | 25 N | 25 CA | 25 C ) -50.386 -180.000 -129.614 0.614 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -50.386 -90.000 -39.614 0.244 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -172.179 -90.000 82.179 0.785 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -172.179 -135.000 37.179 0.371 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 80.617 180.000 99.383 0.582 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 80.617 45.000 -35.617 0.359 0.200 4 ( 24 CB | 24 CA | 24 C | 24 O ) -99.463 -180.000 -80.537 0.313 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -99.463 -60.000 39.463 0.332 0.225 3 ( 24 CB | 24 CA | 24 C | 24 O ) -99.463 -135.000 -35.537 0.268 0.150 4 ( 26 CZ | 26 NE | 26 CD | 26 CG ) -73.071 -180.000 -106.929 2.582 2.000 1 ( 25 C | 26 N | 26 CA | 26 C ) -61.795 -180.000 -118.205 0.552 0.375 1 ( 25 C | 26 N | 26 CA | 26 CB ) 174.503 90.000 -84.503 0.793 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 174.503 135.000 -39.503 0.385 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 80.445 180.000 99.555 0.583 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 80.445 45.000 -35.445 0.357 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -100.302 -180.000 -79.698 0.308 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -100.302 -60.000 40.302 0.341 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -100.302 -135.000 -34.698 0.263 0.150 4 ( 26 C | 27 N | 27 CA | 27 C ) -69.575 -180.000 -110.425 0.506 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -69.575 -36.000 33.575 0.148 0.075 5 ( 26 C | 27 N | 27 CA | 27 CB ) 168.393 90.000 -78.393 0.768 0.400 2 ( 26 C | 27 N | 27 CA | 27 CB ) 168.393 135.000 -33.393 0.338 0.200 4 ( 26 CB | 26 CA | 26 C | 27 N ) 96.686 180.000 83.314 0.442 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 96.686 60.000 -36.686 0.403 0.300 3 ( 26 CB | 26 CA | 26 C | 27 N ) 96.686 135.000 38.314 0.379 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -82.348 -180.000 -97.652 0.425 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -82.348 -45.000 37.348 0.279 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -58.429 -180.000 -121.571 0.571 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -58.429 -90.000 -31.571 0.164 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) 178.373 90.000 -88.373 0.799 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 178.373 135.000 -43.373 0.399 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 78.114 180.000 101.886 0.603 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 78.114 45.000 -33.114 0.335 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -102.918 -180.000 -77.082 0.291 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -102.918 -60.000 42.918 0.366 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -102.918 -135.000 -32.082 0.243 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -61.770 -180.000 -118.230 0.552 0.375 1 ( 28 C | 29 N | 29 CA | 29 CB ) 173.691 90.000 -83.691 0.790 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 173.691 135.000 -38.691 0.381 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 62.022 180.000 117.978 0.735 0.500 1 ( 28 CB | 28 CA | 28 C | 28 O ) -118.531 -180.000 -61.469 0.196 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -118.531 -60.000 58.531 0.449 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -70.624 -180.000 -109.376 0.499 0.375 1 ( 29 C | 30 N | 30 CA | 30 C ) -70.624 -36.000 34.624 0.149 0.075 5 ( 29 C | 30 N | 30 CA | 30 CB ) 166.458 90.000 -76.458 0.756 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 166.458 135.000 -31.458 0.317 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 97.926 180.000 82.074 0.431 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 97.926 60.000 -37.926 0.421 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 97.926 135.000 37.074 0.370 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -82.745 -180.000 -97.255 0.422 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -82.745 -45.000 37.745 0.281 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -101.080 -180.000 -78.920 0.303 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -101.080 -60.000 41.080 0.348 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -101.080 -135.000 -33.920 0.257 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 136.065 180.000 43.935 0.140 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 136.065 90.000 -46.065 0.415 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 136.065 180.000 43.935 0.500 0.300 3 ( 30 CB | 30 CA | 30 C | 31 N ) 85.243 180.000 94.757 0.541 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 85.243 45.000 -40.243 0.389 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -94.738 -180.000 -85.262 0.344 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -94.738 -60.000 34.738 0.280 0.225 3 ( 30 CB | 30 CA | 30 C | 30 O ) -94.738 -135.000 -40.262 0.292 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 60.611 180.000 119.389 0.559 0.375 1 ( 31 C | 32 N | 32 CA | 32 CB ) -62.852 -180.000 -117.148 0.728 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 145.736 180.000 34.264 0.087 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 145.736 90.000 -55.736 0.546 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 145.736 180.000 34.264 0.366 0.300 3 ( 31 CB | 31 CA | 31 C | 32 N ) 145.736 180.000 34.264 0.199 0.100 5 ( 31 CB | 31 CA | 31 C | 31 O ) -34.641 -180.000 -145.359 0.684 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -34.641 -90.000 -55.359 0.406 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -83.942 -180.000 -96.058 0.415 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -83.942 -45.000 38.942 0.287 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 154.424 90.000 -64.424 0.651 0.400 2 ( 32 CB | 32 CA | 32 C | 33 N ) 159.950 90.000 -69.950 0.706 0.400 2 ( 32 CB | 32 CA | 32 C | 32 O ) -20.565 -180.000 -159.435 0.726 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) -20.565 -90.000 -69.435 0.526 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) -20.565 -60.000 -39.435 0.332 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -131.852 -180.000 -48.148 0.166 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -131.852 -90.000 41.852 0.356 0.400 2 ( 33 CB | 33 CA | 33 C | 34 N ) -131.852 -180.000 -48.148 0.544 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 47.913 180.000 132.087 0.626 0.375 1 ( 33 CB | 33 CA | 33 C | 33 O ) 47.913 90.000 42.087 0.270 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -132.631 -180.000 -47.369 0.121 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -132.631 -90.000 42.631 0.275 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -132.631 -180.000 -47.369 0.403 0.225 3 ( 34 C | 35 N | 35 CA | 35 CB ) 102.525 180.000 77.475 0.392 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 102.525 60.000 -42.525 0.483 0.300 3 ( 34 C | 35 N | 35 CA | 35 CB ) 102.525 135.000 32.475 0.328 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 130.195 180.000 49.805 0.177 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 130.195 90.000 -40.195 0.333 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 130.195 180.000 49.805 0.558 0.300 3 ( 34 CB | 34 CA | 34 C | 34 O ) -50.656 -180.000 -129.344 0.613 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -50.656 -90.000 -39.344 0.241 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -91.915 -180.000 -88.085 0.483 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -91.915 -60.000 31.915 0.330 0.300 3 ( 35 CB | 35 CA | 35 C | 36 N ) -91.915 -135.000 -43.085 0.398 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 88.046 180.000 91.954 0.388 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 88.046 45.000 -43.046 0.299 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -61.513 -180.000 -118.487 0.554 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 175.675 90.000 -85.675 0.795 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 175.675 135.000 -40.675 0.391 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -93.683 -180.000 -86.317 0.468 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -93.683 -60.000 33.683 0.357 0.300 3 ( 36 CB | 36 CA | 36 C | 37 N ) -93.683 -135.000 -41.317 0.393 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 84.453 180.000 95.547 0.411 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 84.453 45.000 -39.453 0.289 0.150 4 ( 37 C | 38 N | 38 CA | 38 C ) -51.411 -180.000 -128.589 0.609 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -51.411 -90.000 -38.589 0.233 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -172.841 -90.000 82.841 0.788 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -172.841 -135.000 37.841 0.376 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 95.760 180.000 84.240 0.450 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 95.760 60.000 -35.760 0.389 0.300 3 ( 37 CB | 37 CA | 37 C | 38 N ) 95.760 135.000 39.240 0.384 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -84.716 -180.000 -95.284 0.410 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -84.716 -45.000 39.716 0.290 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -55.854 -180.000 -124.146 0.585 0.375 1 ( 38 C | 39 N | 39 CA | 39 C ) -55.854 -90.000 -34.146 0.189 0.300 2 ( 38 C | 39 N | 39 CA | 39 CB ) -178.427 -90.000 88.427 0.799 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) -178.427 -135.000 43.427 0.399 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 68.755 180.000 111.245 0.681 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 68.755 36.000 -32.755 0.196 0.100 5 ( 38 CB | 38 CA | 38 C | 38 O ) -112.122 -180.000 -67.878 0.234 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -112.122 -60.000 52.122 0.431 0.225 3 ( 39 C | 40 N | 40 CA | 40 C ) -58.760 -180.000 -121.240 0.569 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -58.760 -90.000 -31.240 0.161 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) 179.568 90.000 -89.568 0.800 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) 179.568 135.000 -44.568 0.400 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 77.777 180.000 102.223 0.606 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 77.777 45.000 -32.777 0.331 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 77.777 108.000 30.223 0.188 0.100 5 ( 39 CB | 39 CA | 39 C | 39 O ) -103.839 -180.000 -76.161 0.285 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -103.839 -60.000 43.839 0.374 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -103.839 -135.000 -31.161 0.235 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -81.184 -180.000 -98.816 0.432 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -81.184 -45.000 36.184 0.272 0.150 4 ( 40 C | 41 N | 41 CA | 41 CB ) 155.951 90.000 -65.951 0.667 0.400 2 ( 40 CB | 40 CA | 40 C | 41 N ) 77.684 180.000 102.316 0.607 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 77.684 45.000 -32.684 0.331 0.200 4 ( 40 CB | 40 CA | 40 C | 41 N ) 77.684 108.000 30.316 0.188 0.100 5 ( 40 CB | 40 CA | 40 C | 40 O ) -102.551 -180.000 -77.449 0.294 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -102.551 -60.000 42.551 0.362 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -102.551 -135.000 -32.449 0.246 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -77.774 -180.000 -102.226 0.454 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -77.774 -45.000 32.774 0.249 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -77.774 -108.000 -30.226 0.141 0.075 5 ( 41 C | 42 N | 42 CA | 42 CB ) 159.050 90.000 -69.050 0.698 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 92.386 180.000 87.614 0.479 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 92.386 60.000 -32.386 0.337 0.300 3 ( 41 CB | 41 CA | 41 C | 42 N ) 92.386 135.000 42.614 0.397 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -88.420 -180.000 -91.580 0.385 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -88.420 -45.000 43.420 0.299 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -64.869 -180.000 -115.131 0.534 0.375 1 ( 42 C | 43 N | 43 CA | 43 CB ) 172.358 90.000 -82.358 0.786 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 172.358 135.000 -37.358 0.372 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 77.619 180.000 102.381 0.607 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 77.619 45.000 -32.619 0.330 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 77.619 108.000 30.381 0.188 0.100 5 ( 42 CB | 42 CA | 42 C | 42 O ) -102.170 -180.000 -77.830 0.296 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -102.170 -60.000 42.170 0.359 0.225 3 ( 42 CB | 42 CA | 42 C | 42 O ) -102.170 -135.000 -32.830 0.249 0.150 4 ( 43 CB | 43 CA | 43 C | 44 N ) -99.512 -180.000 -80.488 0.417 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -99.512 -60.000 39.512 0.443 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -99.512 -135.000 -35.488 0.358 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 80.438 180.000 99.562 0.437 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 80.438 45.000 -35.438 0.268 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -57.123 -180.000 -122.877 0.579 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -57.123 -90.000 -32.877 0.177 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) 179.756 90.000 -89.756 0.800 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) 179.756 135.000 -44.756 0.400 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -73.750 -180.000 -106.250 0.640 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -73.750 -108.000 -34.250 0.199 0.100 5 ( 44 CB | 44 CA | 44 C | 44 O ) 105.429 180.000 74.571 0.275 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 105.429 60.000 -45.429 0.388 0.225 3 ( 45 C | 46 N | 46 CA | 46 C ) -53.938 -180.000 -126.062 0.596 0.375 1 ( 45 C | 46 N | 46 CA | 46 C ) -53.938 -90.000 -36.062 0.208 0.300 2 ( 45 C | 46 N | 46 CA | 46 CB ) -175.559 -90.000 85.559 0.795 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) -175.559 -135.000 40.559 0.390 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 93.280 180.000 86.720 0.471 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 93.280 60.000 -33.280 0.351 0.300 3 ( 45 CB | 45 CA | 45 C | 46 N ) 93.280 135.000 41.720 0.395 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -88.108 -180.000 -91.892 0.387 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -88.108 -45.000 43.108 0.299 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -70.300 -180.000 -109.700 0.501 0.375 1 ( 46 C | 47 N | 47 CA | 47 C ) -70.300 -36.000 34.300 0.149 0.075 5 ( 46 C | 47 N | 47 CA | 47 CB ) 167.269 90.000 -77.269 0.761 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 167.269 135.000 -32.269 0.326 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 58.906 180.000 121.094 0.758 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 58.906 90.000 31.094 0.213 0.400 2 ( 46 CB | 46 CA | 46 C | 46 O ) -121.605 -180.000 -58.395 0.178 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -121.605 -90.000 31.605 0.165 0.300 2 ( 46 CB | 46 CA | 46 C | 46 O ) -121.605 -180.000 -58.395 0.449 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -58.333 -180.000 -121.667 0.572 0.375 1 ( 47 C | 48 N | 48 CA | 48 C ) -58.333 -90.000 -31.667 0.165 0.300 2 ( 47 C | 48 N | 48 CA | 48 CB ) 179.311 90.000 -89.311 0.800 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 179.311 135.000 -44.311 0.400 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 92.291 180.000 87.709 0.480 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 92.291 60.000 -32.291 0.336 0.300 3 ( 47 CB | 47 CA | 47 C | 48 N ) 92.291 135.000 42.709 0.397 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -87.806 -180.000 -92.194 0.389 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -87.806 -45.000 42.806 0.298 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -58.339 -180.000 -121.661 0.572 0.375 1 ( 48 C | 49 N | 49 CA | 49 C ) -58.339 -90.000 -31.661 0.165 0.300 2 ( 48 C | 49 N | 49 CA | 49 CB ) 179.526 90.000 -89.526 0.800 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 179.526 135.000 -44.526 0.400 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 73.266 180.000 106.734 0.644 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 73.266 108.000 34.734 0.199 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -106.936 -180.000 -73.064 0.266 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -106.936 -60.000 46.936 0.399 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -72.062 -180.000 -107.938 0.490 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -72.062 -108.000 -35.938 0.150 0.075 5 ( 49 C | 50 N | 50 CA | 50 CB ) 165.659 90.000 -75.659 0.751 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) 165.659 135.000 -30.659 0.308 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 79.871 180.000 100.129 0.588 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 79.871 45.000 -34.871 0.352 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -99.917 -180.000 -80.083 0.310 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -99.917 -60.000 39.917 0.337 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -99.917 -135.000 -35.083 0.265 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -59.432 -180.000 -120.568 0.566 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -59.432 -90.000 -30.568 0.155 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) 179.100 90.000 -89.100 0.800 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) 179.100 135.000 -44.100 0.400 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 88.698 180.000 91.302 0.511 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 88.698 45.000 -43.698 0.399 0.200 4 ( 50 CB | 50 CA | 50 C | 50 O ) -92.281 -180.000 -87.719 0.360 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -92.281 -60.000 32.281 0.252 0.225 3 ( 50 CB | 50 CA | 50 C | 50 O ) -92.281 -135.000 -42.719 0.298 0.150 4 ( 51 C | 52 N | 52 CA | 52 C ) -63.685 -180.000 -116.315 0.541 0.375 1 ( 51 C | 52 N | 52 CA | 52 CB ) 174.570 90.000 -84.570 0.793 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 174.570 135.000 -39.570 0.386 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 68.469 180.000 111.531 0.684 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 68.469 36.000 -32.469 0.195 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -112.992 -180.000 -67.008 0.229 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -112.992 -60.000 52.992 0.435 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -88.653 -180.000 -91.347 0.384 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -88.653 -45.000 43.653 0.299 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 148.529 180.000 31.471 0.074 0.500 1 ( 52 C | 53 N | 53 CA | 53 CB ) 148.529 90.000 -58.529 0.582 0.400 2 ( 52 C | 53 N | 53 CA | 53 CB ) 148.529 180.000 31.471 0.323 0.300 3 ( 52 C | 53 N | 53 CA | 53 CB ) 148.529 180.000 31.471 0.192 0.100 5 ( 52 CB | 52 CA | 52 C | 53 N ) 102.668 180.000 77.332 0.390 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 102.668 60.000 -42.668 0.485 0.300 3 ( 52 CB | 52 CA | 52 C | 53 N ) 102.668 135.000 32.332 0.327 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -75.625 -180.000 -104.375 0.468 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -75.625 -45.000 30.625 0.231 0.150 4 ( 52 CB | 52 CA | 52 C | 52 O ) -75.625 -108.000 -32.375 0.146 0.075 5 ( 54 CZ | 54 NE | 54 CD | 54 CG ) -72.581 -180.000 -107.419 2.599 2.000 1 ( 53 C | 54 N | 54 CA | 54 C ) -72.047 -180.000 -107.953 0.491 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -72.047 -108.000 -35.953 0.150 0.075 5 ( 53 C | 54 N | 54 CA | 54 CB ) 164.941 90.000 -74.941 0.746 0.400 2 ( 53 CB | 53 CA | 53 C | 54 N ) 90.631 180.000 89.369 0.494 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 90.631 60.000 -30.631 0.310 0.300 3 ( 53 CB | 53 CA | 53 C | 54 N ) 90.631 135.000 44.369 0.400 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -89.033 -180.000 -90.967 0.381 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -89.033 -45.000 44.033 0.300 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -86.133 -180.000 -93.867 0.400 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -86.133 -45.000 41.133 0.295 0.150 4 ( 54 C | 55 N | 55 CA | 55 CB ) 151.318 90.000 -61.318 0.616 0.400 2 ( 54 CB | 54 CA | 54 C | 55 N ) 80.608 180.000 99.392 0.582 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 80.608 45.000 -35.608 0.359 0.200 4 ( 54 CB | 54 CA | 54 C | 54 O ) -99.405 -180.000 -80.595 0.314 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -99.405 -60.000 39.405 0.331 0.225 3 ( 54 CB | 54 CA | 54 C | 54 O ) -99.405 -135.000 -35.595 0.269 0.150 4 ( 55 CB | 55 CA | 55 C | 56 N ) -94.322 -180.000 -85.678 0.462 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -94.322 -60.000 34.322 0.367 0.300 3 ( 55 CB | 55 CA | 55 C | 56 N ) -94.322 -135.000 -40.678 0.391 0.200 4 ( 55 CB | 55 CA | 55 C | 55 O ) 85.726 180.000 94.274 0.403 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 85.726 45.000 -40.726 0.293 0.150 4 ( 56 C | 57 N | 57 CA | 57 C ) -70.449 -180.000 -109.551 0.500 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -70.449 -36.000 34.449 0.149 0.075 5 ( 56 C | 57 N | 57 CA | 57 CB ) 167.476 90.000 -77.476 0.762 0.400 2 ( 56 C | 57 N | 57 CA | 57 CB ) 167.476 135.000 -32.476 0.328 0.200 4 ( 56 CB | 56 CA | 56 C | 57 N ) 157.934 90.000 -67.934 0.687 0.400 2 ( 56 CB | 56 CA | 56 C | 56 O ) -24.734 -180.000 -155.266 0.716 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) -24.734 -90.000 -65.266 0.495 0.300 2 ( 56 CB | 56 CA | 56 C | 56 O ) -24.734 -60.000 -35.266 0.286 0.225 3 ( 57 C | 58 N | 58 CA | 58 C ) -92.144 -180.000 -87.856 0.361 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -92.144 -60.000 32.144 0.250 0.225 3 ( 57 C | 58 N | 58 CA | 58 C ) -92.144 -135.000 -42.856 0.298 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 147.574 180.000 32.426 0.078 0.500 1 ( 57 C | 58 N | 58 CA | 58 CB ) 147.574 90.000 -57.574 0.570 0.400 2 ( 57 C | 58 N | 58 CA | 58 CB ) 147.574 180.000 32.426 0.338 0.300 3 ( 57 C | 58 N | 58 CA | 58 CB ) 147.574 180.000 32.426 0.195 0.100 5 ( 57 CB | 57 CA | 57 C | 58 N ) -89.338 -180.000 -90.662 0.506 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -89.338 -45.000 44.338 0.400 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 91.063 180.000 88.937 0.368 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 91.063 60.000 -31.063 0.238 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 91.063 135.000 43.937 0.300 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -47.677 -180.000 -132.323 0.627 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -47.677 -90.000 -42.323 0.272 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -170.014 -90.000 80.014 0.776 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -170.014 -135.000 35.014 0.353 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -75.819 -180.000 -104.181 0.622 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -75.819 -45.000 30.819 0.310 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -75.819 -108.000 -32.181 0.194 0.100 5 ( 58 CB | 58 CA | 58 C | 58 O ) 103.411 180.000 76.589 0.288 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 103.411 60.000 -43.411 0.370 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 103.411 135.000 31.589 0.239 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -57.325 -180.000 -122.675 0.577 0.375 1 ( 59 C | 60 N | 60 CA | 60 C ) -57.325 -90.000 -32.675 0.175 0.300 2 ( 59 C | 60 N | 60 CA | 60 CB ) -179.318 -90.000 89.318 0.800 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) -179.318 -135.000 44.318 0.400 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 79.922 180.000 100.078 0.587 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 79.922 45.000 -34.922 0.353 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -100.635 -180.000 -79.365 0.306 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -100.635 -60.000 40.635 0.344 0.225 3 ( 59 CB | 59 CA | 59 C | 59 O ) -100.635 -135.000 -34.365 0.261 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -77.384 -180.000 -102.616 0.457 0.375 1 ( 60 C | 61 N | 61 CA | 61 C ) -77.384 -45.000 32.384 0.245 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -77.384 -108.000 -30.616 0.142 0.075 5 ( 60 C | 61 N | 61 CA | 61 CB ) 159.540 90.000 -69.540 0.702 0.400 2 ( 60 CB | 60 CA | 60 C | 61 N ) 87.187 180.000 92.813 0.525 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 87.187 45.000 -42.187 0.396 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -92.833 -180.000 -87.167 0.356 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -92.833 -60.000 32.833 0.258 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -92.833 -135.000 -42.167 0.297 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -56.405 -180.000 -123.595 0.582 0.375 1 ( 61 C | 62 N | 62 CA | 62 C ) -56.405 -90.000 -33.595 0.184 0.300 2 ( 61 C | 62 N | 62 CA | 62 CB ) -178.685 -90.000 88.685 0.800 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) -178.685 -135.000 43.685 0.399 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 75.962 180.000 104.038 0.621 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 75.962 45.000 -30.962 0.311 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 75.962 108.000 32.038 0.194 0.100 5 ( 61 CB | 61 CA | 61 C | 61 O ) -104.569 -180.000 -75.431 0.281 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -104.569 -60.000 44.569 0.380 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -104.569 -135.000 -30.431 0.229 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -53.538 -180.000 -126.462 0.598 0.375 1 ( 62 C | 63 N | 63 CA | 63 C ) -53.538 -90.000 -36.462 0.212 0.300 2 ( 62 C | 63 N | 63 CA | 63 CB ) -176.461 -90.000 86.461 0.797 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) -176.461 -135.000 41.461 0.394 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 77.702 180.000 102.298 0.606 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 77.702 45.000 -32.702 0.331 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 77.702 108.000 30.298 0.188 0.100 5 ( 62 CB | 62 CA | 62 C | 62 O ) -102.148 -180.000 -77.852 0.296 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -102.148 -60.000 42.148 0.359 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -102.148 -135.000 -32.852 0.249 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -64.532 -180.000 -115.468 0.536 0.375 1 ( 63 C | 64 N | 64 CA | 64 CB ) 173.120 90.000 -83.120 0.789 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 173.120 135.000 -38.120 0.377 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 79.161 180.000 100.839 0.594 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 79.161 45.000 -34.161 0.345 0.200 4 ( 63 CB | 63 CA | 63 C | 63 O ) -101.461 -180.000 -78.539 0.300 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -101.461 -60.000 41.461 0.352 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -101.461 -135.000 -33.539 0.254 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -54.272 -180.000 -125.728 0.594 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -54.272 -90.000 -35.728 0.205 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -176.745 -90.000 86.745 0.797 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -176.745 -135.000 41.745 0.395 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 76.421 180.000 103.579 0.617 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 76.421 45.000 -31.421 0.317 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 76.421 108.000 31.579 0.193 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -103.660 -180.000 -76.340 0.286 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -103.660 -60.000 43.660 0.373 0.225 3 ( 64 CB | 64 CA | 64 C | 64 O ) -103.660 -135.000 -31.340 0.237 0.150 4 ( 66 CZ | 66 NE | 66 CD | 66 CG ) 134.938 180.000 45.062 0.587 2.000 1 ( 65 C | 66 N | 66 CA | 66 C ) -62.815 -180.000 -117.185 0.546 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 175.427 90.000 -85.427 0.795 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 175.427 135.000 -40.427 0.390 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 86.164 180.000 93.836 0.533 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 86.164 45.000 -41.164 0.393 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -94.639 -180.000 -85.361 0.345 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -94.639 -60.000 34.639 0.279 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -94.639 -135.000 -40.361 0.292 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -60.826 -180.000 -119.174 0.558 0.375 1 ( 66 C | 67 N | 67 CA | 67 CB ) 176.881 90.000 -86.881 0.798 0.400 2 ( 66 C | 67 N | 67 CA | 67 CB ) 176.881 135.000 -41.881 0.395 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 74.516 180.000 105.484 0.633 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 74.516 108.000 33.484 0.198 0.100 5 ( 66 CB | 66 CA | 66 C | 66 O ) -105.533 -180.000 -74.467 0.275 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -105.533 -60.000 45.533 0.388 0.225 3 ( 67 C | 68 N | 68 CA | 68 C ) -61.269 -180.000 -118.731 0.555 0.375 1 ( 67 C | 68 N | 68 CA | 68 CB ) 176.293 90.000 -86.293 0.797 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 176.293 135.000 -41.293 0.393 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 79.467 180.000 100.533 0.591 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 79.467 45.000 -34.467 0.348 0.200 4 ( 67 CB | 67 CA | 67 C | 67 O ) -101.319 -180.000 -78.681 0.301 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -101.319 -60.000 41.319 0.351 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -101.319 -135.000 -33.681 0.256 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) 109.349 180.000 70.651 1.337 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -60.456 -180.000 -119.544 0.560 0.375 1 ( 68 C | 69 N | 69 CA | 69 CB ) 176.840 90.000 -86.840 0.798 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 176.840 135.000 -41.840 0.395 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 78.099 180.000 101.901 0.603 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 78.099 45.000 -33.099 0.335 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -102.067 -180.000 -77.933 0.297 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -102.067 -60.000 42.067 0.358 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -102.067 -135.000 -32.933 0.250 0.150 4 ( 70 CZ | 70 NE | 70 CD | 70 CG ) -144.148 -180.000 -35.852 0.379 2.000 1 ( 69 C | 70 N | 70 CA | 70 C ) -62.110 -180.000 -117.890 0.550 0.375 1 ( 69 C | 70 N | 70 CA | 70 CB ) 175.528 90.000 -85.528 0.795 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 175.528 135.000 -40.528 0.390 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 77.290 180.000 102.710 0.610 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 77.290 45.000 -32.290 0.326 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 77.290 108.000 30.710 0.190 0.100 5 ( 69 CB | 69 CA | 69 C | 69 O ) -103.273 -180.000 -76.727 0.289 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -103.273 -60.000 43.273 0.369 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -103.273 -135.000 -31.727 0.240 0.150 4 ( 71 CZ | 71 NE | 71 CD | 71 CG ) -122.685 -180.000 -57.315 0.920 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -69.627 -180.000 -110.373 0.506 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -69.627 -36.000 33.627 0.148 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 167.906 90.000 -77.906 0.765 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) 167.906 135.000 -32.906 0.333 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 67.937 180.000 112.063 0.688 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 67.937 36.000 -31.937 0.194 0.100 5 ( 70 CB | 70 CA | 70 C | 70 O ) -112.408 -180.000 -67.592 0.232 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -112.408 -60.000 52.408 0.432 0.225 3 ( 71 C | 72 N | 72 CA | 72 C ) -67.479 -180.000 -112.521 0.519 0.375 1 ( 71 C | 72 N | 72 CA | 72 C ) -67.479 -36.000 31.479 0.144 0.075 5 ( 71 CB | 71 CA | 71 C | 72 N ) 89.662 180.000 90.338 0.503 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 89.662 45.000 -44.662 0.400 0.200 4 ( 71 CB | 71 CA | 71 C | 71 O ) -89.691 -180.000 -90.309 0.377 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -89.691 -45.000 44.691 0.300 0.150 4 ( 72 C | 73 N | 73 CA | 73 C ) -74.564 -180.000 -105.436 0.475 0.375 1 ( 72 C | 73 N | 73 CA | 73 C ) -74.564 -108.000 -33.436 0.148 0.075 5 ( 72 C | 73 N | 73 CA | 73 CB ) 161.477 90.000 -71.477 0.719 0.400 2 ( 73 C | 74 N | 74 CA | 74 C ) -54.619 -180.000 -125.381 0.592 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -54.619 -90.000 -35.381 0.201 0.300 2 ( 73 C | 74 N | 74 CA | 74 CB ) -176.912 -90.000 86.912 0.798 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) -176.912 -135.000 41.912 0.395 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 102.753 180.000 77.247 0.390 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 102.753 60.000 -42.753 0.486 0.300 3 ( 73 CB | 73 CA | 73 C | 74 N ) 102.753 135.000 32.247 0.326 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -77.989 -180.000 -102.011 0.453 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -77.989 -45.000 32.989 0.250 0.150 4 ( 73 CB | 73 CA | 73 C | 73 O ) -77.989 -108.000 -30.011 0.140 0.075 5 ( 74 C | 75 N | 75 CA | 75 C ) -61.093 -180.000 -118.907 0.556 0.375 1 ( 74 C | 75 N | 75 CA | 75 CB ) 175.609 90.000 -85.609 0.795 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) 175.609 135.000 -40.609 0.391 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 88.230 180.000 91.770 0.515 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 88.230 45.000 -43.230 0.398 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -92.907 -180.000 -87.093 0.356 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -92.907 -60.000 32.907 0.259 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -92.907 -135.000 -42.093 0.297 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -78.518 -180.000 -101.482 0.450 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -78.518 -45.000 33.518 0.254 0.150 4 ( 75 C | 76 N | 76 CA | 76 CB ) 158.367 90.000 -68.367 0.691 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 79.772 180.000 100.228 0.589 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 79.772 45.000 -34.772 0.351 0.200 4 ( 75 CB | 75 CA | 75 C | 75 O ) -100.863 -180.000 -79.137 0.304 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -100.863 -60.000 40.863 0.346 0.225 3 ( 75 CB | 75 CA | 75 C | 75 O ) -100.863 -135.000 -34.137 0.259 0.150 4 ( 76 C | 77 N | 77 CA | 77 C ) -71.161 -180.000 -108.839 0.496 0.375 1 ( 76 C | 77 N | 77 CA | 77 C ) -71.161 -36.000 35.161 0.150 0.075 5 ( 76 C | 77 N | 77 CA | 77 CB ) 165.590 90.000 -75.590 0.750 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 165.590 135.000 -30.590 0.307 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 94.779 180.000 85.221 0.458 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 94.779 60.000 -34.779 0.374 0.300 3 ( 76 CB | 76 CA | 76 C | 77 N ) 94.779 135.000 40.221 0.389 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -86.517 -180.000 -93.483 0.398 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -86.517 -45.000 41.517 0.296 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -61.789 -180.000 -118.211 0.552 0.375 1 ( 77 C | 78 N | 78 CA | 78 CB ) 175.073 90.000 -85.073 0.794 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) 175.073 135.000 -40.073 0.388 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 114.530 180.000 65.470 0.292 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 114.530 60.000 -54.530 0.588 0.300 3 ( 77 CB | 77 CA | 77 C | 77 O ) -65.187 -180.000 -114.813 0.532 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -70.836 -180.000 -109.164 0.498 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -70.836 -36.000 34.836 0.150 0.075 5 ( 78 C | 79 N | 79 CA | 79 CB ) 165.927 90.000 -75.927 0.753 0.400 2 ( 78 C | 79 N | 79 CA | 79 CB ) 165.927 135.000 -30.927 0.311 0.200 4 ( 78 CB | 78 CA | 78 C | 79 N ) 94.404 180.000 85.596 0.462 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 94.404 60.000 -34.404 0.369 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 94.404 135.000 40.596 0.391 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -85.789 -180.000 -94.211 0.403 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -85.789 -45.000 40.789 0.294 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -86.766 -180.000 -93.234 0.396 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -86.766 -45.000 41.766 0.296 0.150 4 ( 79 C | 80 N | 80 CA | 80 CB ) 149.977 180.000 30.023 0.067 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 149.977 90.000 -59.977 0.600 0.400 2 ( 79 C | 80 N | 80 CA | 80 CB ) 149.977 180.000 30.023 0.300 0.300 3 ( 79 C | 80 N | 80 CA | 80 CB ) 149.977 180.000 30.023 0.187 0.100 5 ( 79 CB | 79 CA | 79 C | 80 N ) 77.307 180.000 102.693 0.610 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 77.307 45.000 -32.307 0.326 0.200 4 ( 79 CB | 79 CA | 79 C | 80 N ) 77.307 108.000 30.693 0.189 0.100 5 ( 79 CB | 79 CA | 79 C | 79 O ) -103.896 -180.000 -76.104 0.285 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -103.896 -60.000 43.896 0.375 0.225 3 ( 79 CB | 79 CA | 79 C | 79 O ) -103.896 -135.000 -31.104 0.235 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -69.963 -180.000 -110.037 0.503 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -69.963 -36.000 33.963 0.149 0.075 5 ( 80 C | 81 N | 81 CA | 81 CB ) 167.923 90.000 -77.923 0.765 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 167.923 135.000 -32.923 0.333 0.200 4 ( 80 CB | 80 CA | 80 C | 81 N ) 133.642 180.000 46.358 0.155 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 133.642 90.000 -43.642 0.381 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 133.642 180.000 46.358 0.527 0.300 3 ( 80 CB | 80 CA | 80 C | 80 O ) -46.755 -180.000 -133.245 0.632 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -46.755 -90.000 -43.245 0.282 0.300 2 ( 82 CZ | 82 NE | 82 CD | 82 CG ) -132.979 -180.000 -47.021 0.637 2.000 1 ( 81 C | 82 N | 82 CA | 82 C ) -75.923 -180.000 -104.077 0.466 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) -75.923 -45.000 30.923 0.233 0.150 4 ( 81 C | 82 N | 82 CA | 82 C ) -75.923 -108.000 -32.077 0.146 0.075 5 ( 81 C | 82 N | 82 CA | 82 CB ) 160.769 90.000 -70.769 0.713 0.400 2 ( 81 CB | 81 CA | 81 C | 82 N ) 95.133 180.000 84.867 0.455 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) 95.133 60.000 -35.133 0.380 0.300 3 ( 81 CB | 81 CA | 81 C | 82 N ) 95.133 135.000 39.867 0.387 0.200 4 ( 81 CB | 81 CA | 81 C | 81 O ) -84.717 -180.000 -95.283 0.410 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) -84.717 -45.000 39.717 0.290 0.150 4 ( 82 C | 83 N | 83 CA | 83 C ) -150.028 -90.000 60.028 0.450 0.300 2 ( 82 C | 83 N | 83 CA | 83 CB ) 88.413 180.000 91.587 0.514 0.500 1 ( 82 C | 83 N | 83 CA | 83 CB ) 88.413 45.000 -43.413 0.399 0.200 4 ( 82 CB | 82 CA | 82 C | 83 N ) -131.053 -180.000 -48.947 0.172 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) -131.053 -90.000 41.053 0.345 0.400 2 ( 82 CB | 82 CA | 82 C | 83 N ) -131.053 -180.000 -48.947 0.551 0.300 3 ( 82 CB | 82 CA | 82 C | 82 O ) 49.255 180.000 130.745 0.620 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 49.255 90.000 40.745 0.256 0.300 2 ( 84 CZ | 84 NE | 84 CD | 84 CG ) -122.868 -180.000 -57.132 0.915 2.000 1 ( 83 C | 84 N | 84 CA | 84 C ) -66.317 -180.000 -113.683 0.526 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -66.317 -36.000 30.317 0.141 0.075 5 ( 83 C | 84 N | 84 CA | 84 CB ) 171.814 90.000 -81.814 0.784 0.400 2 ( 83 C | 84 N | 84 CA | 84 CB ) 171.814 135.000 -36.814 0.368 0.200 4 ( 83 CB | 83 CA | 83 C | 84 N ) -51.552 -180.000 -128.448 0.811 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -51.552 -90.000 -38.448 0.309 0.400 2 ( 83 CB | 83 CA | 83 C | 83 O ) 128.900 180.000 51.100 0.140 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 128.900 90.000 -38.900 0.237 0.300 2 ( 83 CB | 83 CA | 83 C | 83 O ) 128.900 180.000 51.100 0.426 0.225 3 ( 84 C | 85 N | 85 CA | 85 C ) -75.371 -180.000 -104.629 0.470 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -75.371 -45.000 30.371 0.228 0.150 4 ( 84 C | 85 N | 85 CA | 85 C ) -75.371 -108.000 -32.629 0.147 0.075 5 ( 84 C | 85 N | 85 CA | 85 CB ) 162.176 90.000 -72.176 0.725 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) -110.896 -180.000 -69.104 0.322 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) -110.896 -60.000 50.896 0.567 0.300 3 ( 84 CB | 84 CA | 84 C | 84 O ) 69.031 180.000 110.969 0.509 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 69.031 36.000 -33.031 0.147 0.075 5 ( 85 C | 86 N | 86 CA | 86 C ) -68.578 -180.000 -111.422 0.512 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -68.578 -36.000 32.578 0.147 0.075 5 ( 85 C | 86 N | 86 CA | 86 CB ) 169.162 90.000 -79.162 0.772 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 169.162 135.000 -34.162 0.345 0.200 4 ( 85 CB | 85 CA | 85 C | 86 N ) -151.357 -90.000 61.357 0.616 0.400 2 ( 85 CB | 85 CA | 85 C | 85 O ) 30.864 180.000 149.136 0.697 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 30.864 90.000 59.136 0.442 0.300 2 ( 86 C | 87 N | 87 CA | 87 C ) -66.700 -180.000 -113.300 0.523 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -66.700 -36.000 30.700 0.142 0.075 5 ( 86 C | 87 N | 87 CA | 87 CB ) 170.390 90.000 -80.390 0.778 0.400 2 ( 86 C | 87 N | 87 CA | 87 CB ) 170.390 135.000 -35.390 0.357 0.200 4 ( 86 CB | 86 CA | 86 C | 87 N ) -78.468 -180.000 -101.532 0.600 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -78.468 -45.000 33.468 0.339 0.200 4 ( 86 CB | 86 CA | 86 C | 86 O ) 101.591 180.000 78.409 0.300 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 101.591 60.000 -41.591 0.353 0.225 3 ( 86 CB | 86 CA | 86 C | 86 O ) 101.591 135.000 33.409 0.254 0.150 4 ( 87 C | 88 N | 88 CA | 88 C ) -90.999 -180.000 -89.001 0.368 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -90.999 -60.000 30.999 0.237 0.225 3 ( 87 C | 88 N | 88 CA | 88 C ) -90.999 -135.000 -44.001 0.300 0.150 4 ( 87 C | 88 N | 88 CA | 88 CB ) 146.746 180.000 33.254 0.082 0.500 1 ( 87 C | 88 N | 88 CA | 88 CB ) 146.746 90.000 -56.746 0.559 0.400 2 ( 87 C | 88 N | 88 CA | 88 CB ) 146.746 180.000 33.254 0.351 0.300 3 ( 87 C | 88 N | 88 CA | 88 CB ) 146.746 180.000 33.254 0.197 0.100 5 ( 87 CB | 87 CA | 87 C | 88 N ) -152.096 -90.000 62.096 0.625 0.400 2 ( 87 CB | 87 CA | 87 C | 87 O ) 29.697 180.000 150.303 0.701 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 29.697 90.000 60.303 0.453 0.300 2 ( 87 CB | 87 CA | 87 C | 87 O ) 29.697 60.000 30.303 0.229 0.225 3 ( 88 C | 89 N | 89 CA | 89 C ) 72.079 180.000 107.921 0.490 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) 72.079 108.000 35.921 0.150 0.075 5 ( 88 C | 89 N | 89 CA | 89 CB ) -52.282 -180.000 -127.718 0.806 0.500 1 ( 88 C | 89 N | 89 CA | 89 CB ) -52.282 -90.000 -37.718 0.299 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) 143.358 180.000 36.642 0.099 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) 143.358 90.000 -53.358 0.515 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) 143.358 180.000 36.642 0.402 0.300 3 ( 88 CB | 88 CA | 88 C | 89 N ) 143.358 108.000 -35.358 0.200 0.100 5 ( 88 CB | 88 CA | 88 C | 88 O ) -36.025 -180.000 -143.975 0.678 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) -36.025 -90.000 -53.975 0.392 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -61.487 -180.000 -118.513 0.554 0.375 1 ( 89 C | 90 N | 90 CA | 90 CB ) 175.693 90.000 -85.693 0.795 0.400 2 ( 89 C | 90 N | 90 CA | 90 CB ) 175.693 135.000 -40.693 0.391 0.200 4 ( 89 CB | 89 CA | 89 C | 90 N ) 92.235 180.000 87.765 0.480 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) 92.235 60.000 -32.235 0.335 0.300 3 ( 89 CB | 89 CA | 89 C | 90 N ) 92.235 135.000 42.765 0.398 0.200 4 ( 89 CB | 89 CA | 89 C | 89 O ) -87.984 -180.000 -92.016 0.388 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) -87.984 -45.000 42.984 0.299 0.150 4 ( 90 C | 91 N | 91 CA | 91 C ) -76.909 -180.000 -103.091 0.460 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) -76.909 -45.000 31.909 0.242 0.150 4 ( 90 C | 91 N | 91 CA | 91 C ) -76.909 -108.000 -31.091 0.143 0.075 5 ( 90 C | 91 N | 91 CA | 91 CB ) 159.325 90.000 -69.325 0.700 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -92.764 -180.000 -87.236 0.476 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -92.764 -60.000 32.764 0.343 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -92.764 -135.000 -42.236 0.396 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 87.511 180.000 92.489 0.391 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 87.511 45.000 -42.511 0.298 0.150 4 The following couplings have delta J greater than the cutoff: (calculated J) (observed J) (delta J) RMS diff. = 0.000, #(violat.> 1.00)= 0. of 0 J-couplings overall,bonds,angles,improper,dihe,vdw,elec,noe,cdih,coup,sani,vean energies: -1598.56, 79.3639, 88.8165, 33.7769, 432.743, -267.405, -1966.94, 1.07115, 8.417839E-03, $coup, $sani, $vean