NBONDS: found 126056 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 357 ========== set-i-atoms 33 ILE HG21 33 ILE HG22 33 ILE HG23 set-j-atoms 35 PHE HN R= 1.793 NOE= 3.09 (- 1.29/+ 0.46) Delta= 0.007 E(NOE)= 0.002 ========== spectrum 1 restraint 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.155 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.075 E(NOE)= 0.278 ========== 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= 4.066 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.006 E(NOE)= 0.002 ========== spectrum 1 restraint 933 ========== set-i-atoms 40 ILE HG21 40 ILE HG22 40 ILE HG23 set-j-atoms 48 PHE HE1 48 PHE HE2 R= 1.770 NOE= 3.80 (- 2.00/+ 0.57) Delta= 0.030 E(NOE)= 0.044 ========== spectrum 1 restraint 1146 ========== set-i-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 set-j-atoms 37 THR HG21 37 THR HG22 37 THR HG23 R= 5.835 NOE= 5.02 (- 3.22/+ 0.75) Delta= -0.065 E(NOE)= 0.212 ========== spectrum 1 restraint 1181 ========== set-i-atoms 41 VAL HG11 41 VAL HG12 41 VAL HG13 set-j-atoms 73 LYS HG2 R= 5.617 NOE= 4.86 (- 3.06/+ 0.73) Delta= -0.027 E(NOE)= 0.036 ========== spectrum 1 restraint 1264 ========== set-i-atoms 31 MET HE1 31 MET HE2 31 MET HE3 set-j-atoms 64 LEU HN R= 5.058 NOE= 4.37 (- 2.57/+ 0.66) Delta= -0.028 E(NOE)= 0.039 ========== spectrum 1 restraint 1418 ========== set-i-atoms 36 PRO HB1 set-j-atoms 39 LYS HD2 R= 6.580 NOE= 5.71 (- 3.91/+ 0.86) Delta= -0.010 E(NOE)= 0.005 ========== spectrum 1 restraint 1613 ========== set-i-atoms 35 PHE HE1 35 PHE HE2 set-j-atoms 40 ILE HG12 R= 1.773 NOE= 3.22 (- 1.42/+ 0.48) Delta= 0.027 E(NOE)= 0.035 ========== spectrum 1 restraint 1671 ========== set-i-atoms 34 PRO HG1 set-j-atoms 55 TYR HE1 55 TYR HE2 R= 5.157 NOE= 4.47 (- 2.67/+ 0.67) Delta= -0.017 E(NOE)= 0.014 ========== spectrum 1 restraint 1746 ========== set-i-atoms 26 ARG HD1 26 ARG HD2 set-j-atoms 29 LEU HD11 29 LEU HD12 29 LEU HD13 R= 5.478 NOE= 4.72 (- 2.92/+ 0.71) Delta= -0.048 E(NOE)= 0.116 ========== spectrum 1 restraint 1956 ========== set-i-atoms 71 ARG HA set-j-atoms 74 ASN HD21 74 ASN HD22 R= 5.700 NOE= 4.96 (- 3.16/+ 0.74) Delta= 0.000 E(NOE)= 0.000 ========== spectrum 1 restraint 2015 ========== set-i-atoms 81 TYR HD1 81 TYR HD2 set-j-atoms 82 ARG HB1 82 ARG HB2 R= 5.392 NOE= 4.68 (- 2.88/+ 0.70) Delta= -0.012 E(NOE)= 0.008 NOEPRI: RMS diff. = 0.003, #(violat.> 0.0)= 13 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.003, #(viol.> 0.0)= 13 of 2047 NOEs ======================================== 26 ARG C 27 ARG N 27 ARG CA 27 ARG C Dihedral= -85.503 Energy= 0.000 C= 1.000 Equil= -64.900 Delta= 0.603 Range= 20.000 Exponent= 2 ======================================== 52 LEU C 53 ALA N 53 ALA CA 53 ALA C Dihedral= -90.535 Energy= 0.001 C= 1.000 Equil= -68.600 Delta= 1.935 Range= 20.000 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 ( 3 CA | 3 C | 4 N | 4 CA ) -173.589 180.000 -6.411 1.252 100.000 0 ( 15 CA | 15 C | 16 N | 16 CA ) 173.977 180.000 6.023 1.105 100.000 0 ( 17 CA | 17 C | 18 N | 18 CA ) -174.352 180.000 -5.648 0.972 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 174.829 180.000 5.171 0.814 100.000 0 ( 41 CA | 41 C | 42 N | 42 CA ) -173.138 180.000 -6.862 1.434 100.000 0 ( 43 CA | 43 C | 44 N | 44 CA ) 174.511 180.000 5.489 0.918 100.000 0 ( 44 CA | 44 C | 45 N | 45 CA ) -172.559 180.000 -7.441 1.687 100.000 0 ( 47 CA | 47 C | 48 N | 48 CA ) 174.906 180.000 5.094 0.791 100.000 0 ( 57 CA | 57 C | 58 N | 58 CA ) 174.132 180.000 5.868 1.049 100.000 0 ( 58 CA | 58 C | 59 N | 59 CA ) -174.156 180.000 -5.844 1.041 100.000 0 ( 61 CA | 61 C | 62 N | 62 CA ) 174.294 180.000 5.706 0.992 100.000 0 ( 68 CA | 68 C | 69 N | 69 CA ) 173.583 180.000 6.417 1.254 100.000 0 ( 79 CA | 79 C | 80 N | 80 CA ) -172.380 180.000 -7.620 1.769 100.000 0 ( 86 CA | 86 C | 87 N | 87 CA ) 173.794 180.000 6.206 1.173 100.000 0 ( 90 CA | 90 C | 91 N | 91 CA ) -173.347 180.000 -6.653 1.348 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) 128.377 180.000 51.623 0.142 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) 128.377 90.000 -38.377 0.231 0.300 2 ( 1 C | 2 N | 2 CA | 2 C ) 128.377 180.000 51.623 0.429 0.225 3 ( 1 CB | 1 CA | 1 C | 2 N ) -100.519 -180.000 -79.481 0.409 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -100.519 -60.000 40.519 0.457 0.300 3 ( 1 CB | 1 CA | 1 C | 2 N ) -100.519 -135.000 -34.481 0.348 0.200 4 ( 1 CB | 1 CA | 1 C | 1 O ) 79.160 180.000 100.840 0.446 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 79.160 45.000 -34.160 0.259 0.150 4 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) -104.149 -180.000 -75.851 0.453 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) 59.980 180.000 120.020 0.563 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) 59.980 90.000 30.020 0.150 0.300 2 ( 2 C | 3 N | 3 CA | 3 CB ) -63.187 -180.000 -116.813 0.726 0.500 1 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) -105.738 -180.000 -74.262 0.437 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) -125.194 -180.000 -54.806 0.159 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -125.194 -90.000 35.194 0.199 0.300 2 ( 3 C | 4 N | 4 CA | 4 C ) -125.194 -180.000 -54.806 0.442 0.225 3 ( 3 C | 4 N | 4 CA | 4 CB ) 112.697 180.000 67.303 0.307 0.500 1 ( 3 C | 4 N | 4 CA | 4 CB ) 112.697 60.000 -52.697 0.578 0.300 3 ( 3 CB | 3 CA | 3 C | 4 N ) 144.109 180.000 35.891 0.095 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) 144.109 90.000 -54.109 0.525 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) 144.109 180.000 35.891 0.391 0.300 3 ( 3 CB | 3 CA | 3 C | 4 N ) 144.109 180.000 35.891 0.200 0.100 5 ( 3 CB | 3 CA | 3 C | 3 O ) -38.542 -180.000 -141.458 0.668 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) -38.542 -90.000 -51.458 0.367 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) 70.624 180.000 109.376 0.799 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -132.515 -180.000 -47.485 0.122 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -132.515 -90.000 42.515 0.274 0.300 2 ( 4 C | 5 N | 5 CA | 5 C ) -132.515 -180.000 -47.485 0.403 0.225 3 ( 4 C | 5 N | 5 CA | 5 CB ) 104.660 180.000 75.340 0.373 0.500 1 ( 4 C | 5 N | 5 CA | 5 CB ) 104.660 60.000 -44.660 0.508 0.300 3 ( 4 C | 5 N | 5 CA | 5 CB ) 104.660 135.000 30.340 0.304 0.200 4 ( 4 CB | 4 CA | 4 C | 5 N ) -105.634 -180.000 -74.366 0.365 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) -105.634 -60.000 45.634 0.519 0.300 3 ( 4 CB | 4 CA | 4 C | 4 O ) 73.919 180.000 106.081 0.479 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) 73.919 108.000 34.081 0.149 0.075 5 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -83.353 -180.000 -96.647 0.669 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -87.333 -180.000 -92.667 0.392 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) -87.333 -45.000 42.333 0.297 0.150 4 ( 5 C | 6 N | 6 CA | 6 CB ) 151.171 90.000 -61.171 0.614 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) -108.419 -180.000 -71.581 0.342 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -108.419 -60.000 48.419 0.547 0.300 3 ( 5 CB | 5 CA | 5 C | 5 O ) 70.889 180.000 109.111 0.498 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 70.889 36.000 -34.889 0.150 0.075 5 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) 75.010 180.000 104.990 0.755 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -154.600 -90.000 64.600 0.490 0.300 2 ( 6 C | 7 N | 7 CA | 7 CB ) 82.774 180.000 97.226 0.563 0.500 1 ( 6 C | 7 N | 7 CA | 7 CB ) 82.774 45.000 -37.774 0.375 0.200 4 ( 6 CB | 6 CA | 6 C | 7 N ) -78.683 -180.000 -101.317 0.598 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -78.683 -45.000 33.683 0.341 0.200 4 ( 6 CB | 6 CA | 6 C | 6 O ) 101.454 180.000 78.546 0.301 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) 101.454 60.000 -41.454 0.352 0.225 3 ( 6 CB | 6 CA | 6 C | 6 O ) 101.454 135.000 33.546 0.255 0.150 4 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) 104.138 180.000 75.862 0.453 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -77.884 -180.000 -102.116 0.454 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -77.884 -45.000 32.884 0.249 0.150 4 ( 7 C | 8 N | 8 CA | 8 C ) -77.884 -108.000 -30.116 0.140 0.075 5 ( 7 C | 8 N | 8 CA | 8 CB ) 157.725 90.000 -67.725 0.685 0.400 2 ( 7 CB | 7 CA | 7 C | 8 N ) 156.665 90.000 -66.665 0.674 0.400 2 ( 7 CB | 7 CA | 7 C | 7 O ) -24.390 -180.000 -155.610 0.717 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) -24.390 -90.000 -65.610 0.498 0.300 2 ( 7 CB | 7 CA | 7 C | 7 O ) -24.390 -60.000 -35.610 0.290 0.225 3 ( 8 C | 9 N | 9 CA | 9 C ) -95.989 -180.000 -84.011 0.336 0.375 1 ( 8 C | 9 N | 9 CA | 9 C ) -95.989 -60.000 35.989 0.294 0.225 3 ( 8 C | 9 N | 9 CA | 9 C ) -95.989 -135.000 -39.011 0.287 0.150 4 ( 8 C | 9 N | 9 CA | 9 CB ) 142.051 180.000 37.949 0.106 0.500 1 ( 8 C | 9 N | 9 CA | 9 CB ) 142.051 90.000 -52.051 0.497 0.400 2 ( 8 C | 9 N | 9 CA | 9 CB ) 142.051 180.000 37.949 0.421 0.300 3 ( 8 C | 9 N | 9 CA | 9 CB ) 142.051 108.000 -34.051 0.199 0.100 5 ( 8 CB | 8 CA | 8 C | 9 N ) -148.712 -180.000 -31.288 0.073 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -148.712 -90.000 58.712 0.584 0.400 2 ( 8 CB | 8 CA | 8 C | 9 N ) -148.712 -180.000 -31.288 0.320 0.300 3 ( 8 CB | 8 CA | 8 C | 9 N ) -148.712 -180.000 -31.288 0.192 0.100 5 ( 8 CB | 8 CA | 8 C | 8 O ) 32.659 180.000 147.341 0.691 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 32.659 90.000 57.341 0.425 0.300 2 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) 106.680 180.000 73.320 0.428 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -155.773 -90.000 65.773 0.499 0.300 2 ( 9 C | 10 N | 10 CA | 10 CB ) 81.471 180.000 98.529 0.574 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 81.471 45.000 -36.471 0.366 0.200 4 ( 9 CB | 9 CA | 9 C | 10 N ) -79.377 -180.000 -100.623 0.592 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -79.377 -45.000 34.377 0.347 0.200 4 ( 9 CB | 9 CA | 9 C | 9 O ) 101.231 180.000 78.769 0.302 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 101.231 60.000 -41.231 0.350 0.225 3 ( 9 CB | 9 CA | 9 C | 9 O ) 101.231 135.000 33.769 0.256 0.150 4 ( 10 C | 11 N | 11 CA | 11 C ) -75.206 -180.000 -104.794 0.471 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -75.206 -45.000 30.206 0.227 0.150 4 ( 10 C | 11 N | 11 CA | 11 C ) -75.206 -108.000 -32.794 0.147 0.075 5 ( 10 C | 11 N | 11 CA | 11 CB ) 161.800 90.000 -71.800 0.722 0.400 2 ( 10 CB | 10 CA | 10 C | 11 N ) -105.341 -180.000 -74.659 0.368 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) -105.341 -60.000 45.341 0.516 0.300 3 ( 10 CB | 10 CA | 10 C | 10 O ) 74.742 180.000 105.258 0.474 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) 74.742 108.000 33.258 0.148 0.075 5 ( 11 C | 12 N | 12 CA | 12 C ) -160.181 -90.000 70.181 0.531 0.300 2 ( 11 C | 12 N | 12 CA | 12 CB ) 77.327 180.000 102.673 0.610 0.500 1 ( 11 C | 12 N | 12 CA | 12 CB ) 77.327 45.000 -32.327 0.327 0.200 4 ( 11 C | 12 N | 12 CA | 12 CB ) 77.327 108.000 30.673 0.189 0.100 5 ( 11 CB | 11 CA | 11 C | 12 N ) -93.272 -180.000 -86.728 0.471 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -93.272 -60.000 33.272 0.351 0.300 3 ( 11 CB | 11 CA | 11 C | 12 N ) -93.272 -135.000 -41.728 0.395 0.200 4 ( 11 CB | 11 CA | 11 C | 11 O ) 86.331 180.000 93.669 0.399 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 86.331 45.000 -41.331 0.295 0.150 4 ( 12 C | 13 N | 13 CA | 13 C ) -123.926 -180.000 -56.074 0.166 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -123.926 -90.000 33.926 0.187 0.300 2 ( 12 C | 13 N | 13 CA | 13 C ) -123.926 -180.000 -56.074 0.445 0.225 3 ( 12 C | 13 N | 13 CA | 13 CB ) 113.410 180.000 66.590 0.301 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) 113.410 60.000 -53.410 0.582 0.300 3 ( 12 CB | 12 CA | 12 C | 13 N ) -53.087 -180.000 -126.913 0.800 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -53.087 -90.000 -36.913 0.289 0.400 2 ( 12 CB | 12 CA | 12 C | 12 O ) 126.800 180.000 53.200 0.150 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) 126.800 90.000 -36.800 0.215 0.300 2 ( 12 CB | 12 CA | 12 C | 12 O ) 126.800 180.000 53.200 0.436 0.225 3 ( 13 CB | 13 CA | 13 C | 14 N ) -92.950 -180.000 -87.050 0.474 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -92.950 -60.000 32.950 0.346 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -92.950 -135.000 -42.050 0.396 0.200 4 ( 13 CB | 13 CA | 13 C | 13 O ) 87.709 180.000 92.291 0.390 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 87.709 45.000 -42.709 0.298 0.150 4 ( 14 C | 15 N | 15 CA | 15 C ) -73.827 -180.000 -106.173 0.479 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -73.827 -108.000 -34.173 0.149 0.075 5 ( 14 C | 15 N | 15 CA | 15 CB ) 164.346 90.000 -74.346 0.742 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -131.525 -180.000 -48.475 0.169 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -131.525 -90.000 41.525 0.352 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -131.525 -180.000 -48.475 0.547 0.300 3 ( 14 CB | 14 CA | 14 C | 14 O ) 49.035 180.000 130.965 0.621 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 49.035 90.000 40.965 0.258 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -93.404 -180.000 -86.596 0.353 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -93.404 -60.000 33.404 0.265 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -93.404 -135.000 -41.596 0.296 0.150 4 ( 15 C | 16 N | 16 CA | 16 CB ) 144.077 180.000 35.923 0.095 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 144.077 90.000 -54.077 0.525 0.400 2 ( 15 C | 16 N | 16 CA | 16 CB ) 144.077 180.000 35.923 0.392 0.300 3 ( 15 C | 16 N | 16 CA | 16 CB ) 144.077 180.000 35.923 0.200 0.100 5 ( 15 CB | 15 CA | 15 C | 16 N ) 91.954 180.000 88.046 0.483 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) 91.954 60.000 -31.954 0.331 0.300 3 ( 15 CB | 15 CA | 15 C | 16 N ) 91.954 135.000 43.046 0.398 0.200 4 ( 15 CB | 15 CA | 15 C | 15 O ) -87.239 -180.000 -92.761 0.393 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) -87.239 -45.000 42.239 0.297 0.150 4 ( 16 C | 17 N | 17 CA | 17 C ) -107.374 -180.000 -72.626 0.263 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -107.374 -60.000 47.374 0.403 0.225 3 ( 16 C | 17 N | 17 CA | 17 CB ) 131.632 180.000 48.368 0.168 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 131.632 90.000 -41.632 0.353 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 131.632 180.000 48.368 0.546 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -85.583 -180.000 -94.417 0.539 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -85.583 -45.000 40.583 0.391 0.200 4 ( 16 CB | 16 CA | 16 C | 16 O ) 94.712 180.000 85.288 0.344 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 94.712 60.000 -34.712 0.280 0.225 3 ( 16 CB | 16 CA | 16 C | 16 O ) 94.712 135.000 40.288 0.292 0.150 4 ( 17 C | 18 N | 18 CA | 18 C ) 112.875 180.000 67.125 0.229 0.375 1 ( 17 C | 18 N | 18 CA | 18 C ) 112.875 60.000 -52.875 0.435 0.225 3 ( 17 CB | 17 CA | 17 C | 18 N ) 82.369 180.000 97.631 0.566 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) 82.369 45.000 -37.369 0.372 0.200 4 ( 17 CB | 17 CA | 17 C | 17 O ) -97.195 -180.000 -82.805 0.328 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) -97.195 -60.000 37.195 0.308 0.225 3 ( 17 CB | 17 CA | 17 C | 17 O ) -97.195 -135.000 -37.805 0.281 0.150 4 ( 18 C | 19 N | 19 CA | 19 C ) -81.511 -180.000 -98.489 0.430 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -81.511 -45.000 36.511 0.274 0.150 4 ( 18 C | 19 N | 19 CA | 19 CB ) 155.701 90.000 -65.701 0.665 0.400 2 ( 19 C | 20 N | 20 CA | 20 C ) 64.786 180.000 115.214 0.535 0.375 1 ( 19 C | 20 N | 20 CA | 20 CB ) -59.076 -180.000 -120.924 0.757 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) -59.076 -90.000 -30.924 0.211 0.400 2 ( 19 CB | 19 CA | 19 C | 20 N ) 102.462 180.000 77.538 0.392 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) 102.462 60.000 -42.462 0.482 0.300 3 ( 19 CB | 19 CA | 19 C | 20 N ) 102.462 135.000 32.538 0.329 0.200 4 ( 19 CB | 19 CA | 19 C | 19 O ) -76.867 -180.000 -103.133 0.460 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) -76.867 -45.000 31.867 0.241 0.150 4 ( 19 CB | 19 CA | 19 C | 19 O ) -76.867 -108.000 -31.133 0.143 0.075 5 ( 20 C | 21 N | 21 CA | 21 C ) -89.799 -180.000 -90.201 0.376 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) -89.799 -45.000 44.799 0.300 0.150 4 ( 20 CB | 20 CA | 20 C | 21 N ) 147.077 180.000 32.923 0.080 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) 147.077 90.000 -57.077 0.564 0.400 2 ( 20 CB | 20 CA | 20 C | 21 N ) 147.077 180.000 32.923 0.346 0.300 3 ( 20 CB | 20 CA | 20 C | 21 N ) 147.077 180.000 32.923 0.196 0.100 5 ( 20 CB | 20 CA | 20 C | 20 O ) -33.816 -180.000 -146.184 0.687 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) -33.816 -90.000 -56.184 0.414 0.300 2 ( 21 C | 22 N | 22 CA | 22 C ) -80.004 -180.000 -99.996 0.440 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -80.004 -45.000 35.004 0.265 0.150 4 ( 21 C | 22 N | 22 CA | 22 CB ) 157.229 90.000 -67.229 0.680 0.400 2 ( 23 CZ | 23 NE | 23 CD | 23 CG ) -139.122 -180.000 -40.878 0.488 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -50.926 -180.000 -129.074 0.611 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -50.926 -90.000 -39.074 0.238 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -173.452 -90.000 83.452 0.790 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -173.452 -135.000 38.452 0.379 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -90.026 -180.000 -89.974 0.500 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -90.026 -60.000 30.026 0.300 0.300 3 ( 22 CB | 22 CA | 22 C | 23 N ) -90.026 -135.000 -44.974 0.400 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 89.727 180.000 90.273 0.377 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 89.727 45.000 -44.727 0.300 0.150 4 ( 23 C | 24 N | 24 CA | 24 C ) -62.910 -180.000 -117.090 0.546 0.375 1 ( 23 C | 24 N | 24 CA | 24 CB ) 174.058 90.000 -84.058 0.791 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 174.058 135.000 -39.058 0.383 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 83.440 180.000 96.560 0.557 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 83.440 45.000 -38.440 0.379 0.200 4 ( 23 CB | 23 CA | 23 C | 23 O ) -96.506 -180.000 -83.494 0.333 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -96.506 -60.000 36.506 0.300 0.225 3 ( 23 CB | 23 CA | 23 C | 23 O ) -96.506 -135.000 -38.494 0.285 0.150 4 ( 24 C | 25 N | 25 CA | 25 C ) -51.858 -180.000 -128.142 0.607 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -51.858 -90.000 -38.142 0.229 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -174.384 -90.000 84.384 0.792 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -174.384 -135.000 39.384 0.385 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 78.059 180.000 101.941 0.603 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 78.059 45.000 -33.059 0.334 0.200 4 ( 24 CB | 24 CA | 24 C | 24 O ) -102.630 -180.000 -77.370 0.293 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -102.630 -60.000 42.630 0.363 0.225 3 ( 24 CB | 24 CA | 24 C | 24 O ) -102.630 -135.000 -32.370 0.245 0.150 4 ( 26 CZ | 26 NE | 26 CD | 26 CG ) 146.423 180.000 33.577 0.334 2.000 1 ( 25 C | 26 N | 26 CA | 26 C ) -53.117 -180.000 -126.883 0.600 0.375 1 ( 25 C | 26 N | 26 CA | 26 C ) -53.117 -90.000 -36.883 0.216 0.300 2 ( 25 C | 26 N | 26 CA | 26 CB ) -176.447 -90.000 86.447 0.797 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) -176.447 -135.000 41.447 0.394 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 80.144 180.000 99.856 0.586 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 80.144 45.000 -35.144 0.354 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -100.545 -180.000 -79.455 0.306 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -100.545 -60.000 40.545 0.343 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -100.545 -135.000 -34.455 0.261 0.150 4 ( 26 C | 27 N | 27 CA | 27 C ) -85.503 -180.000 -94.497 0.404 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -85.503 -45.000 40.503 0.293 0.150 4 ( 26 C | 27 N | 27 CA | 27 CB ) 152.223 90.000 -62.223 0.626 0.400 2 ( 26 CB | 26 CA | 26 C | 27 N ) 94.708 180.000 85.292 0.459 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 94.708 60.000 -34.708 0.373 0.300 3 ( 26 CB | 26 CA | 26 C | 27 N ) 94.708 135.000 40.292 0.389 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -85.471 -180.000 -94.529 0.405 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -85.471 -45.000 40.471 0.293 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -57.119 -180.000 -122.881 0.579 0.375 1 ( 27 C | 28 N | 28 CA | 28 C ) -57.119 -90.000 -32.881 0.177 0.300 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.579 90.000 -89.579 0.800 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 179.579 135.000 -44.579 0.400 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 80.265 180.000 99.735 0.585 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 80.265 45.000 -35.265 0.356 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -100.024 -180.000 -79.976 0.310 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -100.024 -60.000 40.024 0.338 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -100.024 -135.000 -34.976 0.265 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -68.458 -180.000 -111.542 0.513 0.375 1 ( 28 C | 29 N | 29 CA | 29 C ) -68.458 -36.000 32.458 0.146 0.075 5 ( 28 C | 29 N | 29 CA | 29 CB ) 166.822 90.000 -76.822 0.758 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 166.822 135.000 -31.822 0.321 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 69.531 180.000 110.469 0.675 0.500 1 ( 28 CB | 28 CA | 28 C | 29 N ) 69.531 36.000 -33.531 0.198 0.100 5 ( 28 CB | 28 CA | 28 C | 28 O ) -111.030 -180.000 -68.970 0.240 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -111.030 -60.000 51.030 0.426 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -63.288 -180.000 -116.712 0.544 0.375 1 ( 29 C | 30 N | 30 CA | 30 CB ) 173.927 90.000 -83.927 0.791 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 173.927 135.000 -38.927 0.382 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 93.850 180.000 86.150 0.466 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 93.850 60.000 -33.850 0.360 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 93.850 135.000 41.150 0.393 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -87.175 -180.000 -92.825 0.393 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -87.175 -45.000 42.175 0.297 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -98.893 -180.000 -81.107 0.317 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -98.893 -60.000 38.893 0.326 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -98.893 -135.000 -36.107 0.272 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 138.545 180.000 41.455 0.125 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 138.545 90.000 -48.545 0.449 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 138.545 180.000 41.455 0.469 0.300 3 ( 30 C | 31 N | 31 CA | 31 CB ) 138.545 108.000 -30.545 0.189 0.100 5 ( 30 CB | 30 CA | 30 C | 31 N ) 89.885 180.000 90.115 0.501 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 89.885 45.000 -44.885 0.400 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -89.820 -180.000 -90.180 0.376 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -89.820 -45.000 44.820 0.300 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 71.547 180.000 108.453 0.494 0.375 1 ( 31 C | 32 N | 32 CA | 32 C ) 71.547 36.000 -35.547 0.150 0.075 5 ( 31 C | 32 N | 32 CA | 32 CB ) -53.080 -180.000 -126.920 0.800 0.500 1 ( 31 C | 32 N | 32 CA | 32 CB ) -53.080 -90.000 -36.920 0.289 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 107.863 180.000 72.137 0.347 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 107.863 60.000 -47.863 0.541 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -72.780 -180.000 -107.220 0.486 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -72.780 -108.000 -35.220 0.150 0.075 5 ( 32 C | 33 N | 33 CA | 33 C ) -106.791 -180.000 -73.209 0.267 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -106.791 -60.000 46.791 0.398 0.225 3 ( 32 C | 33 N | 33 CA | 33 CB ) 131.244 180.000 48.756 0.170 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 131.244 90.000 -41.244 0.348 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 131.244 180.000 48.756 0.549 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -145.393 -180.000 -34.607 0.088 0.500 1 ( 32 CB | 32 CA | 32 C | 33 N ) -145.393 -90.000 55.393 0.542 0.400 2 ( 32 CB | 32 CA | 32 C | 33 N ) -145.393 -180.000 -34.607 0.372 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -145.393 -180.000 -34.607 0.199 0.100 5 ( 32 CB | 32 CA | 32 C | 32 O ) 34.871 180.000 145.129 0.683 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 34.871 90.000 55.129 0.404 0.300 2 ( 33 CB | 33 CA | 33 C | 34 N ) -119.009 -180.000 -60.991 0.258 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -119.009 -60.000 59.009 0.600 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 61.011 180.000 118.989 0.557 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -149.153 -180.000 -30.847 0.053 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -149.153 -90.000 59.153 0.442 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -149.153 -180.000 -30.847 0.235 0.225 3 ( 34 C | 35 N | 35 CA | 35 C ) -149.153 -180.000 -30.847 0.143 0.075 5 ( 34 C | 35 N | 35 CA | 35 CB ) 86.695 180.000 93.305 0.529 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 86.695 45.000 -41.695 0.395 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 133.755 180.000 46.245 0.154 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 133.755 90.000 -43.755 0.383 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 133.755 180.000 46.245 0.526 0.300 3 ( 34 CB | 34 CA | 34 C | 34 O ) -47.138 -180.000 -132.862 0.630 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -47.138 -90.000 -42.862 0.278 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -89.368 -180.000 -90.632 0.506 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -89.368 -45.000 44.368 0.400 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 90.997 180.000 89.003 0.368 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 90.997 60.000 -30.997 0.237 0.225 3 ( 35 CB | 35 CA | 35 C | 35 O ) 90.997 135.000 44.003 0.300 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -62.910 -180.000 -117.090 0.546 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 174.958 90.000 -84.958 0.794 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 174.958 135.000 -39.958 0.388 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -93.060 -180.000 -86.940 0.473 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -93.060 -60.000 33.060 0.348 0.300 3 ( 36 CB | 36 CA | 36 C | 37 N ) -93.060 -135.000 -41.940 0.395 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 85.384 180.000 94.616 0.405 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 85.384 45.000 -40.384 0.292 0.150 4 ( 37 C | 38 N | 38 CA | 38 C ) -60.071 -180.000 -119.929 0.562 0.375 1 ( 37 C | 38 N | 38 CA | 38 CB ) 176.618 90.000 -86.618 0.797 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) 176.618 135.000 -41.618 0.394 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 87.493 180.000 92.507 0.522 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 87.493 45.000 -42.493 0.397 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -92.369 -180.000 -87.631 0.359 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -92.369 -60.000 32.369 0.253 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -92.369 -135.000 -42.631 0.298 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -51.749 -180.000 -128.251 0.607 0.375 1 ( 38 C | 39 N | 39 CA | 39 C ) -51.749 -90.000 -38.251 0.230 0.300 2 ( 38 C | 39 N | 39 CA | 39 CB ) -173.594 -90.000 83.594 0.790 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) -173.594 -135.000 38.594 0.380 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 79.460 180.000 100.540 0.591 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 79.460 45.000 -34.460 0.348 0.200 4 ( 38 CB | 38 CA | 38 C | 38 O ) -101.428 -180.000 -78.572 0.301 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -101.428 -60.000 41.428 0.352 0.225 3 ( 38 CB | 38 CA | 38 C | 38 O ) -101.428 -135.000 -33.572 0.255 0.150 4 ( 39 C | 40 N | 40 CA | 40 C ) -51.634 -180.000 -128.366 0.608 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -51.634 -90.000 -38.366 0.231 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.445 -90.000 83.445 0.790 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.445 -135.000 38.445 0.379 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 79.300 180.000 100.700 0.593 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 79.300 45.000 -34.300 0.347 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -102.759 -180.000 -77.241 0.292 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -102.759 -60.000 42.759 0.364 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -102.759 -135.000 -32.241 0.244 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -88.407 -180.000 -91.593 0.385 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -88.407 -45.000 43.407 0.299 0.150 4 ( 40 C | 41 N | 41 CA | 41 CB ) 149.136 180.000 30.864 0.071 0.500 1 ( 40 C | 41 N | 41 CA | 41 CB ) 149.136 90.000 -59.136 0.589 0.400 2 ( 40 C | 41 N | 41 CA | 41 CB ) 149.136 180.000 30.864 0.314 0.300 3 ( 40 C | 41 N | 41 CA | 41 CB ) 149.136 180.000 30.864 0.190 0.100 5 ( 40 CB | 40 CA | 40 C | 41 N ) 79.550 180.000 100.450 0.591 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 79.550 45.000 -34.550 0.349 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -100.358 -180.000 -79.642 0.308 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -100.358 -60.000 40.358 0.341 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -100.358 -135.000 -34.642 0.262 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -79.638 -180.000 -100.362 0.442 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -79.638 -45.000 34.638 0.262 0.150 4 ( 41 C | 42 N | 42 CA | 42 CB ) 155.969 90.000 -65.969 0.667 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 87.467 180.000 92.533 0.522 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 87.467 45.000 -42.467 0.397 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -93.562 -180.000 -86.438 0.352 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -93.562 -60.000 33.562 0.267 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -93.562 -135.000 -41.438 0.295 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -66.411 -180.000 -113.589 0.525 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -66.411 -36.000 30.411 0.141 0.075 5 ( 42 C | 43 N | 43 CA | 43 CB ) 171.358 90.000 -81.358 0.782 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 171.358 135.000 -36.358 0.365 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 100.987 180.000 79.013 0.405 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 100.987 60.000 -40.987 0.463 0.300 3 ( 42 CB | 42 CA | 42 C | 43 N ) 100.987 135.000 34.013 0.344 0.200 4 ( 42 CB | 42 CA | 42 C | 42 O ) -78.360 -180.000 -101.640 0.451 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -78.360 -45.000 33.360 0.253 0.150 4 ( 43 CB | 43 CA | 43 C | 44 N ) -93.977 -180.000 -86.023 0.465 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -93.977 -60.000 33.977 0.362 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -93.977 -135.000 -41.023 0.392 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 85.688 180.000 94.312 0.403 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 85.688 45.000 -40.688 0.293 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -56.445 -180.000 -123.555 0.582 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -56.445 -90.000 -33.555 0.183 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) 178.501 90.000 -88.501 0.799 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) 178.501 135.000 -43.501 0.399 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -85.519 -180.000 -94.481 0.539 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -85.519 -45.000 40.519 0.390 0.200 4 ( 44 CB | 44 CA | 44 C | 44 O ) 93.689 180.000 86.311 0.351 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 93.689 60.000 -33.689 0.268 0.225 3 ( 44 CB | 44 CA | 44 C | 44 O ) 93.689 135.000 41.311 0.295 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -58.932 -180.000 -121.068 0.569 0.375 1 ( 45 C | 46 N | 46 CA | 46 C ) -58.932 -90.000 -31.068 0.160 0.300 2 ( 45 C | 46 N | 46 CA | 46 CB ) 178.388 90.000 -88.388 0.799 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 178.388 135.000 -43.388 0.399 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 80.904 180.000 99.096 0.579 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 80.904 45.000 -35.904 0.361 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -99.611 -180.000 -80.389 0.312 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -99.611 -60.000 39.611 0.334 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -99.611 -135.000 -35.389 0.267 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -62.794 -180.000 -117.206 0.546 0.375 1 ( 46 C | 47 N | 47 CA | 47 CB ) 173.742 90.000 -83.742 0.790 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 173.742 135.000 -38.742 0.381 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 67.520 180.000 112.480 0.691 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 67.520 36.000 -31.520 0.192 0.100 5 ( 46 CB | 46 CA | 46 C | 46 O ) -113.507 -180.000 -66.493 0.225 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -113.507 -60.000 53.507 0.437 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -68.015 -180.000 -111.985 0.515 0.375 1 ( 47 C | 48 N | 48 CA | 48 C ) -68.015 -36.000 32.015 0.146 0.075 5 ( 47 C | 48 N | 48 CA | 48 CB ) 169.563 90.000 -79.563 0.774 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 169.563 135.000 -34.563 0.349 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 98.323 180.000 81.677 0.428 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 98.323 60.000 -38.323 0.427 0.300 3 ( 47 CB | 47 CA | 47 C | 48 N ) 98.323 135.000 36.677 0.367 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -82.004 -180.000 -97.996 0.427 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -82.004 -45.000 37.004 0.277 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -61.059 -180.000 -118.941 0.556 0.375 1 ( 48 C | 49 N | 49 CA | 49 CB ) 176.420 90.000 -86.420 0.797 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 176.420 135.000 -41.420 0.394 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 71.816 180.000 108.184 0.656 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 71.816 36.000 -35.816 0.200 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -108.393 -180.000 -71.607 0.257 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -108.393 -60.000 48.393 0.410 0.225 3 ( 50 OE1 | 50 CD | 50 CG | 50 CB ) -137.749 -90.000 47.749 1.096 1.000 2 ( 49 C | 50 N | 50 CA | 50 C ) -73.568 -180.000 -106.432 0.481 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -73.568 -108.000 -34.432 0.149 0.075 5 ( 49 C | 50 N | 50 CA | 50 CB ) 163.446 90.000 -73.446 0.735 0.400 2 ( 49 CB | 49 CA | 49 C | 50 N ) 84.109 180.000 95.891 0.551 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 84.109 45.000 -39.109 0.383 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -96.200 -180.000 -83.800 0.335 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -96.200 -60.000 36.200 0.297 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -96.200 -135.000 -38.800 0.286 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -52.752 -180.000 -127.248 0.602 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -52.752 -90.000 -37.248 0.220 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -174.330 -90.000 84.330 0.792 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -174.330 -135.000 39.330 0.385 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 96.519 180.000 83.481 0.443 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 96.519 60.000 -36.519 0.400 0.300 3 ( 50 CB | 50 CA | 50 C | 51 N ) 96.519 135.000 38.481 0.380 0.200 4 ( 50 CB | 50 CA | 50 C | 50 O ) -83.700 -180.000 -96.300 0.416 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -83.700 -45.000 38.700 0.286 0.150 4 ( 51 C | 52 N | 52 CA | 52 C ) -72.164 -180.000 -107.836 0.490 0.375 1 ( 51 C | 52 N | 52 CA | 52 C ) -72.164 -108.000 -35.836 0.150 0.075 5 ( 51 C | 52 N | 52 CA | 52 CB ) 165.527 90.000 -75.527 0.750 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 165.527 135.000 -30.527 0.306 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 78.862 180.000 101.138 0.597 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 78.862 45.000 -33.862 0.343 0.200 4 ( 51 CB | 51 CA | 51 C | 51 O ) -102.853 -180.000 -77.147 0.292 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -102.853 -60.000 42.853 0.365 0.225 3 ( 51 CB | 51 CA | 51 C | 51 O ) -102.853 -135.000 -32.147 0.244 0.150 4 ( 52 C | 53 N | 53 CA | 53 C ) -90.535 -180.000 -89.465 0.372 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -90.535 -60.000 30.535 0.231 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -90.535 -135.000 -44.465 0.300 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 146.403 180.000 33.597 0.084 0.500 1 ( 52 C | 53 N | 53 CA | 53 CB ) 146.403 90.000 -56.403 0.555 0.400 2 ( 52 C | 53 N | 53 CA | 53 CB ) 146.403 180.000 33.597 0.356 0.300 3 ( 52 C | 53 N | 53 CA | 53 CB ) 146.403 180.000 33.597 0.198 0.100 5 ( 52 CB | 52 CA | 52 C | 53 N ) 102.994 180.000 77.006 0.388 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 102.994 60.000 -42.994 0.489 0.300 3 ( 52 CB | 52 CA | 52 C | 53 N ) 102.994 135.000 32.006 0.323 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -74.657 -180.000 -105.343 0.474 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -74.657 -108.000 -33.343 0.148 0.075 5 ( 53 C | 54 N | 54 CA | 54 C ) -74.599 -180.000 -105.401 0.475 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -74.599 -108.000 -33.401 0.148 0.075 5 ( 53 C | 54 N | 54 CA | 54 CB ) 163.455 90.000 -73.455 0.735 0.400 2 ( 53 CB | 53 CA | 53 C | 54 N ) 88.393 180.000 91.607 0.514 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 88.393 45.000 -43.393 0.399 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -90.827 -180.000 -89.173 0.370 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -90.827 -60.000 30.827 0.235 0.225 3 ( 53 CB | 53 CA | 53 C | 53 O ) -90.827 -135.000 -44.173 0.300 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -110.187 -180.000 -69.813 0.246 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -110.187 -60.000 50.187 0.421 0.225 3 ( 54 C | 55 N | 55 CA | 55 CB ) 128.076 180.000 51.924 0.192 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 128.076 90.000 -38.076 0.304 0.400 2 ( 54 C | 55 N | 55 CA | 55 CB ) 128.076 180.000 51.924 0.574 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 87.901 180.000 92.099 0.518 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 87.901 45.000 -42.901 0.398 0.200 4 ( 54 CB | 54 CA | 54 C | 54 O ) -91.512 -180.000 -88.488 0.365 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -91.512 -60.000 31.512 0.243 0.225 3 ( 54 CB | 54 CA | 54 C | 54 O ) -91.512 -135.000 -43.488 0.299 0.150 4 ( 55 CB | 55 CA | 55 C | 56 N ) -110.212 -180.000 -69.788 0.327 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -110.212 -60.000 50.212 0.561 0.300 3 ( 55 CB | 55 CA | 55 C | 55 O ) 69.333 180.000 110.667 0.507 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 69.333 36.000 -33.333 0.148 0.075 5 ( 56 C | 57 N | 57 CA | 57 C ) -130.130 -180.000 -49.870 0.133 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -130.130 -90.000 40.130 0.249 0.300 2 ( 56 C | 57 N | 57 CA | 57 C ) -130.130 -180.000 -49.870 0.419 0.225 3 ( 56 C | 57 N | 57 CA | 57 CB ) 108.027 180.000 71.973 0.345 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 108.027 60.000 -48.027 0.543 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -136.227 -180.000 -43.773 0.139 0.500 1 ( 56 CB | 56 CA | 56 C | 57 N ) -136.227 -90.000 46.227 0.417 0.400 2 ( 56 CB | 56 CA | 56 C | 57 N ) -136.227 -180.000 -43.773 0.498 0.300 3 ( 56 CB | 56 CA | 56 C | 56 O ) 43.933 180.000 136.067 0.645 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 43.933 90.000 46.067 0.311 0.300 2 ( 57 C | 58 N | 58 CA | 58 C ) -85.435 -180.000 -94.565 0.405 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -85.435 -45.000 40.435 0.292 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 152.972 90.000 -62.972 0.635 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -88.770 -180.000 -91.230 0.511 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -88.770 -45.000 43.770 0.399 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 91.649 180.000 88.351 0.364 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 91.649 60.000 -31.649 0.244 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 91.649 135.000 43.351 0.299 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -43.715 -180.000 -136.285 0.646 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -43.715 -90.000 -46.285 0.313 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -166.942 -90.000 76.942 0.759 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -166.942 -135.000 31.942 0.322 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -76.615 -180.000 -103.385 0.616 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -76.615 -45.000 31.615 0.319 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -76.615 -108.000 -31.385 0.192 0.100 5 ( 58 CB | 58 CA | 58 C | 58 O ) 102.587 180.000 77.413 0.293 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 102.587 60.000 -42.587 0.363 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 102.587 135.000 32.413 0.246 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -63.576 -180.000 -116.424 0.542 0.375 1 ( 59 C | 60 N | 60 CA | 60 CB ) 173.855 90.000 -83.855 0.791 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 173.855 135.000 -38.855 0.382 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 73.560 180.000 106.440 0.642 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 73.560 108.000 34.440 0.199 0.100 5 ( 59 CB | 59 CA | 59 C | 59 O ) -106.858 -180.000 -73.142 0.266 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -106.858 -60.000 46.858 0.399 0.225 3 ( 60 C | 61 N | 61 CA | 61 C ) -68.041 -180.000 -111.959 0.515 0.375 1 ( 60 C | 61 N | 61 CA | 61 C ) -68.041 -36.000 32.041 0.146 0.075 5 ( 60 C | 61 N | 61 CA | 61 CB ) 169.021 90.000 -79.021 0.771 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 169.021 135.000 -34.021 0.344 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 91.976 180.000 88.024 0.483 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 91.976 60.000 -31.976 0.331 0.300 3 ( 60 CB | 60 CA | 60 C | 61 N ) 91.976 135.000 43.024 0.398 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -87.754 -180.000 -92.246 0.390 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -87.754 -45.000 42.754 0.298 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -60.989 -180.000 -119.011 0.557 0.375 1 ( 61 C | 62 N | 62 CA | 62 CB ) 176.720 90.000 -86.720 0.797 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 176.720 135.000 -41.720 0.395 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 82.496 180.000 97.504 0.565 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 82.496 45.000 -37.496 0.373 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -98.217 -180.000 -81.783 0.321 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -98.217 -60.000 38.217 0.319 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -98.217 -135.000 -36.783 0.276 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -61.330 -180.000 -118.670 0.555 0.375 1 ( 62 C | 63 N | 63 CA | 63 CB ) 175.973 90.000 -85.973 0.796 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 175.973 135.000 -40.973 0.392 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 79.455 180.000 100.545 0.592 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 79.455 45.000 -34.455 0.348 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -100.862 -180.000 -79.138 0.304 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -100.862 -60.000 40.862 0.346 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -100.862 -135.000 -34.138 0.259 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -62.570 -180.000 -117.430 0.548 0.375 1 ( 63 C | 64 N | 64 CA | 64 CB ) 175.358 90.000 -85.358 0.795 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 175.358 135.000 -40.358 0.390 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 82.015 180.000 97.985 0.569 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 82.015 45.000 -37.015 0.370 0.200 4 ( 63 CB | 63 CA | 63 C | 63 O ) -98.323 -180.000 -81.677 0.321 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -98.323 -60.000 38.323 0.320 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -98.323 -135.000 -36.677 0.275 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -57.223 -180.000 -122.777 0.578 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -57.223 -90.000 -32.777 0.176 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -179.911 -90.000 89.911 0.800 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -179.911 -135.000 44.911 0.400 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 72.102 180.000 107.898 0.654 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 72.102 108.000 35.898 0.200 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -108.003 -180.000 -71.997 0.259 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -108.003 -60.000 48.003 0.407 0.225 3 ( 65 C | 66 N | 66 CA | 66 C ) -65.427 -180.000 -114.573 0.531 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 171.972 90.000 -81.972 0.784 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 171.972 135.000 -36.972 0.369 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 78.931 180.000 101.069 0.596 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 78.931 45.000 -33.931 0.343 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -101.850 -180.000 -78.150 0.298 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -101.850 -60.000 41.850 0.356 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -101.850 -135.000 -33.150 0.252 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -75.312 -180.000 -104.688 0.470 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -75.312 -45.000 30.312 0.228 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -75.312 -108.000 -32.688 0.147 0.075 5 ( 66 C | 67 N | 67 CA | 67 CB ) 162.328 90.000 -72.328 0.726 0.400 2 ( 66 CB | 66 CA | 66 C | 67 N ) 95.043 180.000 84.957 0.456 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 95.043 60.000 -35.043 0.378 0.300 3 ( 66 CB | 66 CA | 66 C | 67 N ) 95.043 135.000 39.957 0.388 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -84.673 -180.000 -95.327 0.410 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -84.673 -45.000 39.673 0.290 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -57.836 -180.000 -122.164 0.575 0.375 1 ( 67 C | 68 N | 68 CA | 68 C ) -57.836 -90.000 -32.164 0.170 0.300 2 ( 67 C | 68 N | 68 CA | 68 CB ) 179.639 90.000 -89.639 0.800 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 179.639 135.000 -44.639 0.400 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 77.481 180.000 102.519 0.608 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 77.481 45.000 -32.481 0.328 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 77.481 108.000 30.519 0.189 0.100 5 ( 67 CB | 67 CA | 67 C | 67 O ) -103.168 -180.000 -76.832 0.290 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -103.168 -60.000 43.168 0.368 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -103.168 -135.000 -31.832 0.241 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) -135.189 -180.000 -44.811 0.581 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -60.901 -180.000 -119.099 0.557 0.375 1 ( 68 C | 69 N | 69 CA | 69 CB ) 175.980 90.000 -85.980 0.796 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 175.980 135.000 -40.980 0.392 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 79.619 180.000 100.381 0.590 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 79.619 45.000 -34.619 0.350 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -101.082 -180.000 -78.918 0.303 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -101.082 -60.000 41.082 0.348 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -101.082 -135.000 -33.918 0.257 0.150 4 ( 69 C | 70 N | 70 CA | 70 C ) -60.585 -180.000 -119.415 0.559 0.375 1 ( 69 C | 70 N | 70 CA | 70 CB ) 177.628 90.000 -87.628 0.799 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 177.628 135.000 -42.628 0.397 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 86.497 180.000 93.503 0.531 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 86.497 45.000 -41.497 0.394 0.200 4 ( 69 CB | 69 CA | 69 C | 69 O ) -93.782 -180.000 -86.218 0.350 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -93.782 -60.000 33.782 0.269 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -93.782 -135.000 -41.218 0.295 0.150 4 ( 70 C | 71 N | 71 CA | 71 C ) -67.506 -180.000 -112.494 0.518 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -67.506 -36.000 31.506 0.144 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 169.936 90.000 -79.936 0.776 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) 169.936 135.000 -34.936 0.353 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 71.331 180.000 108.669 0.660 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 71.331 36.000 -35.331 0.200 0.100 5 ( 70 CB | 70 CA | 70 C | 70 O ) -109.314 -180.000 -70.686 0.251 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -109.314 -60.000 49.314 0.416 0.225 3 ( 71 C | 72 N | 72 CA | 72 C ) -69.324 -180.000 -110.676 0.507 0.375 1 ( 71 C | 72 N | 72 CA | 72 C ) -69.324 -36.000 33.324 0.148 0.075 5 ( 71 CB | 71 CA | 71 C | 72 N ) 83.690 180.000 96.310 0.555 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 83.690 45.000 -38.690 0.381 0.200 4 ( 71 CB | 71 CA | 71 C | 71 O ) -95.964 -180.000 -84.036 0.336 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -95.964 -60.000 35.964 0.294 0.225 3 ( 71 CB | 71 CA | 71 C | 71 O ) -95.964 -135.000 -39.036 0.287 0.150 4 ( 72 C | 73 N | 73 CA | 73 C ) -62.770 -180.000 -117.230 0.547 0.375 1 ( 72 C | 73 N | 73 CA | 73 CB ) 174.901 90.000 -84.901 0.794 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 174.901 135.000 -39.901 0.387 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -58.100 -180.000 -121.900 0.573 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -58.100 -90.000 -31.900 0.168 0.300 2 ( 73 C | 74 N | 74 CA | 74 CB ) 179.408 90.000 -89.408 0.800 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) 179.408 135.000 -44.408 0.400 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 91.415 180.000 88.585 0.488 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 91.415 60.000 -31.415 0.322 0.300 3 ( 73 CB | 73 CA | 73 C | 74 N ) 91.415 135.000 43.585 0.399 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -89.024 -180.000 -90.976 0.381 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -89.024 -45.000 44.024 0.300 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -63.298 -180.000 -116.702 0.544 0.375 1 ( 74 C | 75 N | 75 CA | 75 CB ) 174.816 90.000 -84.816 0.793 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) 174.816 135.000 -39.816 0.387 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 87.857 180.000 92.143 0.519 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 87.857 45.000 -42.857 0.398 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -92.574 -180.000 -87.426 0.358 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -92.574 -60.000 32.574 0.255 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -92.574 -135.000 -42.426 0.298 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -73.803 -180.000 -106.197 0.480 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -73.803 -108.000 -34.197 0.149 0.075 5 ( 75 C | 76 N | 76 CA | 76 CB ) 164.173 90.000 -74.173 0.740 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 76.054 180.000 103.946 0.621 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 76.054 45.000 -31.054 0.312 0.200 4 ( 75 CB | 75 CA | 75 C | 76 N ) 76.054 108.000 31.946 0.194 0.100 5 ( 75 CB | 75 CA | 75 C | 75 O ) -103.909 -180.000 -76.091 0.285 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -103.909 -60.000 43.909 0.375 0.225 3 ( 75 CB | 75 CA | 75 C | 75 O ) -103.909 -135.000 -31.091 0.235 0.150 4 ( 76 C | 77 N | 77 CA | 77 C ) -62.454 -180.000 -117.546 0.548 0.375 1 ( 76 C | 77 N | 77 CA | 77 CB ) 174.272 90.000 -84.272 0.792 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 174.272 135.000 -39.272 0.384 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 81.092 180.000 98.908 0.577 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 81.092 45.000 -36.092 0.363 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -99.630 -180.000 -80.370 0.312 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -99.630 -60.000 39.630 0.334 0.225 3 ( 76 CB | 76 CA | 76 C | 76 O ) -99.630 -135.000 -35.370 0.267 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -53.301 -180.000 -126.699 0.599 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -53.301 -90.000 -36.699 0.214 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.835 -90.000 86.835 0.798 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) -176.835 -135.000 41.835 0.395 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 98.527 180.000 81.473 0.426 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 98.527 60.000 -38.527 0.430 0.300 3 ( 77 CB | 77 CA | 77 C | 78 N ) 98.527 135.000 36.473 0.366 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -82.705 -180.000 -97.295 0.423 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -82.705 -45.000 37.705 0.281 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -106.457 -180.000 -73.543 0.269 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -106.457 -60.000 46.457 0.396 0.225 3 ( 78 C | 79 N | 79 CA | 79 CB ) 130.449 180.000 49.551 0.176 0.500 1 ( 78 C | 79 N | 79 CA | 79 CB ) 130.449 90.000 -40.449 0.337 0.400 2 ( 78 C | 79 N | 79 CA | 79 CB ) 130.449 180.000 49.551 0.556 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 102.574 180.000 77.426 0.391 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 102.574 60.000 -42.574 0.484 0.300 3 ( 78 CB | 78 CA | 78 C | 79 N ) 102.574 135.000 32.426 0.328 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -77.385 -180.000 -102.615 0.457 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -77.385 -45.000 32.385 0.245 0.150 4 ( 78 CB | 78 CA | 78 C | 78 O ) -77.385 -108.000 -30.615 0.142 0.075 5 ( 79 C | 80 N | 80 CA | 80 C ) -98.144 -180.000 -81.856 0.322 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -98.144 -60.000 38.144 0.318 0.225 3 ( 79 C | 80 N | 80 CA | 80 C ) -98.144 -135.000 -36.856 0.276 0.150 4 ( 79 C | 80 N | 80 CA | 80 CB ) 137.988 180.000 42.012 0.128 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 137.988 90.000 -47.988 0.442 0.400 2 ( 79 C | 80 N | 80 CA | 80 CB ) 137.988 180.000 42.012 0.476 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 76.965 180.000 103.035 0.613 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 76.965 45.000 -31.965 0.323 0.200 4 ( 79 CB | 79 CA | 79 C | 80 N ) 76.965 108.000 31.035 0.191 0.100 5 ( 79 CB | 79 CA | 79 C | 79 O ) -103.474 -180.000 -76.526 0.288 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -103.474 -60.000 43.474 0.371 0.225 3 ( 79 CB | 79 CA | 79 C | 79 O ) -103.474 -135.000 -31.526 0.238 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -62.561 -180.000 -117.439 0.548 0.375 1 ( 80 C | 81 N | 81 CA | 81 CB ) 175.100 90.000 -85.100 0.794 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 175.100 135.000 -40.100 0.388 0.200 4 ( 80 CB | 80 CA | 80 C | 81 N ) 135.709 180.000 44.291 0.142 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 135.709 90.000 -45.709 0.410 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 135.709 180.000 44.291 0.504 0.300 3 ( 80 CB | 80 CA | 80 C | 80 O ) -45.120 -180.000 -134.880 0.640 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -45.120 -90.000 -44.880 0.299 0.300 2 ( 81 C | 82 N | 82 CA | 82 C ) -75.207 -180.000 -104.793 0.471 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) -75.207 -45.000 30.207 0.227 0.150 4 ( 81 C | 82 N | 82 CA | 82 C ) -75.207 -108.000 -32.793 0.147 0.075 5 ( 81 C | 82 N | 82 CA | 82 CB ) 162.331 90.000 -72.331 0.726 0.400 2 ( 81 CB | 81 CA | 81 C | 82 N ) 103.152 180.000 76.848 0.386 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) 103.152 60.000 -43.152 0.491 0.300 3 ( 81 CB | 81 CA | 81 C | 82 N ) 103.152 135.000 31.848 0.321 0.200 4 ( 81 CB | 81 CA | 81 C | 81 O ) -76.891 -180.000 -103.109 0.460 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) -76.891 -45.000 31.891 0.241 0.150 4 ( 81 CB | 81 CA | 81 C | 81 O ) -76.891 -108.000 -31.109 0.143 0.075 5 ( 83 CD | 83 CG | 83 CB | 83 CA ) -122.587 -180.000 -57.413 3.982 2.000 3 ( 82 C | 83 N | 83 CA | 83 C ) -94.375 -180.000 -85.625 0.346 0.375 1 ( 82 C | 83 N | 83 CA | 83 C ) -94.375 -60.000 34.375 0.276 0.225 3 ( 82 C | 83 N | 83 CA | 83 C ) -94.375 -135.000 -40.625 0.293 0.150 4 ( 82 C | 83 N | 83 CA | 83 CB ) 143.522 180.000 36.478 0.098 0.500 1 ( 82 C | 83 N | 83 CA | 83 CB ) 143.522 90.000 -53.522 0.517 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 143.522 180.000 36.478 0.400 0.300 3 ( 82 C | 83 N | 83 CA | 83 CB ) 143.522 108.000 -35.522 0.200 0.100 5 ( 82 CB | 82 CA | 82 C | 83 N ) -170.455 -90.000 80.455 0.778 0.400 2 ( 82 CB | 82 CA | 82 C | 83 N ) -170.455 -135.000 35.455 0.357 0.200 4 ( 82 CB | 82 CA | 82 C | 82 O ) 9.666 180.000 170.334 0.745 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 9.666 90.000 80.334 0.583 0.300 2 ( 82 CB | 82 CA | 82 C | 82 O ) 9.666 60.000 50.334 0.422 0.225 3 ( 82 CB | 82 CA | 82 C | 82 O ) 9.666 45.000 35.334 0.267 0.150 4 ( 83 C | 84 N | 84 CA | 84 C ) -79.666 -180.000 -100.334 0.442 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -79.666 -45.000 34.666 0.263 0.150 4 ( 83 C | 84 N | 84 CA | 84 CB ) 158.067 90.000 -68.067 0.688 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -100.067 -180.000 -79.933 0.413 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -100.067 -60.000 40.067 0.451 0.300 3 ( 83 CB | 83 CA | 83 C | 84 N ) -100.067 -135.000 -34.933 0.353 0.200 4 ( 83 CB | 83 CA | 83 C | 83 O ) 79.848 180.000 100.152 0.441 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 79.848 45.000 -34.848 0.264 0.150 4 ( 84 C | 85 N | 85 CA | 85 C ) 65.453 180.000 114.547 0.531 0.375 1 ( 84 C | 85 N | 85 CA | 85 CB ) -58.588 -180.000 -121.412 0.761 0.500 1 ( 84 C | 85 N | 85 CA | 85 CB ) -58.588 -90.000 -31.412 0.217 0.400 2 ( 84 CB | 84 CA | 84 C | 85 N ) -62.821 -180.000 -117.179 0.728 0.500 1 ( 84 CB | 84 CA | 84 C | 84 O ) 116.893 180.000 63.107 0.205 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 116.893 60.000 -56.893 0.447 0.225 3 ( 85 C | 86 N | 86 CA | 86 C ) -109.322 -180.000 -70.678 0.251 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -109.322 -60.000 49.322 0.416 0.225 3 ( 85 C | 86 N | 86 CA | 86 CB ) 129.668 180.000 50.332 0.181 0.500 1 ( 85 C | 86 N | 86 CA | 86 CB ) 129.668 90.000 -39.668 0.326 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 129.668 180.000 50.332 0.562 0.300 3 ( 85 CB | 85 CA | 85 C | 86 N ) -162.956 -90.000 72.956 0.731 0.400 2 ( 85 CB | 85 CA | 85 C | 85 O ) 18.229 180.000 161.771 0.731 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 18.229 90.000 71.771 0.541 0.300 2 ( 85 CB | 85 CA | 85 C | 85 O ) 18.229 60.000 41.771 0.355 0.225 3 ( 86 C | 87 N | 87 CA | 87 C ) -76.134 -180.000 -103.866 0.465 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -76.134 -45.000 31.134 0.235 0.150 4 ( 86 C | 87 N | 87 CA | 87 C ) -76.134 -108.000 -31.866 0.145 0.075 5 ( 86 C | 87 N | 87 CA | 87 CB ) 161.015 90.000 -71.015 0.715 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) -57.934 -180.000 -122.066 0.765 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) -57.934 -90.000 -32.066 0.225 0.400 2 ( 86 CB | 86 CA | 86 C | 86 O ) 121.877 180.000 58.123 0.177 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 121.877 90.000 -31.877 0.167 0.300 2 ( 86 CB | 86 CA | 86 C | 86 O ) 121.877 180.000 58.123 0.449 0.225 3 ( 87 C | 88 N | 88 CA | 88 C ) -59.917 -180.000 -120.083 0.563 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -59.917 -90.000 -30.083 0.151 0.300 2 ( 87 C | 88 N | 88 CA | 88 CB ) 177.505 90.000 -87.505 0.798 0.400 2 ( 87 C | 88 N | 88 CA | 88 CB ) 177.505 135.000 -42.505 0.397 0.200 4 ( 87 CB | 87 CA | 87 C | 88 N ) -124.743 -180.000 -55.257 0.215 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -124.743 -90.000 34.743 0.260 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -124.743 -180.000 -55.257 0.591 0.300 3 ( 87 CB | 87 CA | 87 C | 87 O ) 56.201 180.000 123.799 0.584 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 56.201 90.000 33.799 0.186 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -59.445 -180.000 -120.555 0.566 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -59.445 -90.000 -30.555 0.155 0.300 2 ( 88 C | 89 N | 89 CA | 89 CB ) 177.648 90.000 -87.648 0.799 0.400 2 ( 88 C | 89 N | 89 CA | 89 CB ) 177.648 135.000 -42.648 0.397 0.200 4 ( 88 CB | 88 CA | 88 C | 89 N ) -125.306 -180.000 -54.694 0.211 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -125.306 -90.000 35.306 0.267 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) -125.306 -180.000 -54.694 0.588 0.300 3 ( 88 CB | 88 CA | 88 C | 88 O ) 55.458 180.000 124.542 0.588 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 55.458 90.000 34.542 0.193 0.300 2 ( 89 C | 90 N | 90 CA | 90 C ) -102.680 -180.000 -77.320 0.293 0.375 1 ( 89 C | 90 N | 90 CA | 90 C ) -102.680 -60.000 42.680 0.364 0.225 3 ( 89 C | 90 N | 90 CA | 90 C ) -102.680 -135.000 -32.320 0.245 0.150 4 ( 89 C | 90 N | 90 CA | 90 CB ) 133.957 180.000 46.043 0.153 0.500 1 ( 89 C | 90 N | 90 CA | 90 CB ) 133.957 90.000 -43.957 0.385 0.400 2 ( 89 C | 90 N | 90 CA | 90 CB ) 133.957 180.000 46.043 0.523 0.300 3 ( 89 CB | 89 CA | 89 C | 90 N ) -103.692 -180.000 -76.308 0.382 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -103.692 -60.000 43.692 0.497 0.300 3 ( 89 CB | 89 CA | 89 C | 90 N ) -103.692 -135.000 -31.308 0.315 0.200 4 ( 89 CB | 89 CA | 89 C | 89 O ) 77.219 180.000 102.781 0.458 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 77.219 45.000 -32.219 0.244 0.150 4 ( 89 CB | 89 CA | 89 C | 89 O ) 77.219 108.000 30.781 0.142 0.075 5 ( 90 C | 91 N | 91 CA | 91 C ) 65.698 180.000 114.302 0.529 0.375 1 ( 90 C | 91 N | 91 CA | 91 CB ) -58.181 -180.000 -121.819 0.764 0.500 1 ( 90 C | 91 N | 91 CA | 91 CB ) -58.181 -90.000 -31.819 0.222 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -85.679 -180.000 -94.321 0.538 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -85.679 -45.000 40.679 0.391 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 94.200 180.000 85.800 0.348 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 94.200 60.000 -34.200 0.274 0.225 3 ( 90 CB | 90 CA | 90 C | 90 O ) 94.200 135.000 40.800 0.294 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: -1608.92, 82.4885, 92.8543, 40.1879, 420.227, -264.299, -1981.42, 0.792286, 0.250178, $coup, $sani, $vean