NBONDS: found 116387 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 748 ========== set-i-atoms 57 LEU HB2 set-j-atoms 62 LEU HG R= 3.106 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.026 E(NOE)= 0.035 ========== 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= 4.111 NOE= 3.53 (- 1.73/+ 0.53) Delta= -0.051 E(NOE)= 0.130 ========== spectrum 1 restraint 914 ========== set-i-atoms 37 THR HA set-j-atoms 40 ILE HD11 40 ILE HD12 40 ILE HD13 R= 1.775 NOE= 3.39 (- 1.59/+ 0.51) Delta= 0.025 E(NOE)= 0.031 ========== spectrum 1 restraint 1080 ========== set-i-atoms 57 LEU HB1 set-j-atoms 61 GLN HB2 R= 1.781 NOE= 4.58 (- 2.78/+ 0.69) Delta= 0.019 E(NOE)= 0.018 ========== spectrum 1 restraint 1113 ========== set-i-atoms 57 LEU HD21 57 LEU HD22 57 LEU HD23 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 5.737 NOE= 4.95 (- 3.15/+ 0.74) Delta= -0.047 E(NOE)= 0.109 ========== spectrum 1 restraint 1244 ========== set-i-atoms 40 ILE HD11 40 ILE HD12 40 ILE HD13 set-j-atoms 65 VAL HG11 65 VAL HG12 65 VAL HG13 R= 1.758 NOE= 3.44 (- 1.64/+ 0.52) Delta= 0.042 E(NOE)= 0.087 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.541 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.041 E(NOE)= 0.084 ========== spectrum 1 restraint 1354 ========== set-i-atoms 31 MET HG1 set-j-atoms 33 ILE HD11 33 ILE HD12 33 ILE HD13 R= 4.616 NOE= 4.00 (- 2.20/+ 0.60) Delta= -0.016 E(NOE)= 0.013 ========== 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)= 0.036 ========== 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= 4.604 NOE= 3.96 (- 2.16/+ 0.59) Delta= -0.054 E(NOE)= 0.146 ========== spectrum 1 restraint 2016 ========== set-i-atoms 81 TYR HD1 81 TYR HD2 set-j-atoms 82 ARG HG1 82 ARG HG2 R= 1.791 NOE= 4.80 (- 3.00/+ 0.72) Delta= 0.009 E(NOE)= 0.004 NOEPRI: RMS diff. = 0.003, #(violat.> 0.0)= 11 of 2047 NOEs NOEPRI: RMS diff. class DIST = 0.003, #(viol.> 0.0)= 11 of 2047 NOEs (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 ) 174.667 180.000 5.333 0.866 100.000 0 ( 6 CA | 6 C | 7 N | 7 CA ) -172.380 180.000 -7.620 1.769 100.000 0 ( 12 CA | 12 C | 13 N | 13 CA ) -171.933 180.000 -8.067 1.982 100.000 0 ( 13 CA | 13 C | 14 N | 14 CA ) 174.386 180.000 5.614 0.960 100.000 0 ( 20 CA | 20 C | 21 N | 21 CA ) 171.033 180.000 8.967 2.449 100.000 0 ( 21 CA | 21 C | 22 N | 22 CA ) 169.499 180.000 10.501 3.359 100.000 0 ( 23 CA | 23 C | 24 N | 24 CA ) 174.497 180.000 5.503 0.923 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 173.898 180.000 6.102 1.134 100.000 0 ( 29 CA | 29 C | 30 N | 30 CA ) 173.935 180.000 6.065 1.120 100.000 0 ( 37 CA | 37 C | 38 N | 38 CA ) 174.780 180.000 5.220 0.830 100.000 0 ( 43 CA | 43 C | 44 N | 44 CA ) 172.296 180.000 7.704 1.808 100.000 0 ( 57 CA | 57 C | 58 N | 58 CA ) 173.709 180.000 6.291 1.206 100.000 0 ( 73 CA | 73 C | 74 N | 74 CA ) 174.330 180.000 5.670 0.979 100.000 0 ( 76 CA | 76 C | 77 N | 77 CA ) -174.774 180.000 -5.226 0.832 100.000 0 ( 82 CA | 82 C | 83 N | 83 CA ) 174.197 180.000 5.803 1.026 100.000 0 ( 84 CA | 84 C | 85 N | 85 CA ) 171.948 180.000 8.052 1.975 100.000 0 ( 85 CA | 85 C | 86 N | 86 CA ) -174.883 180.000 -5.117 0.798 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) -87.940 -180.000 -92.060 0.388 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) -87.940 -45.000 42.940 0.298 0.150 4 ( 1 CB | 1 CA | 1 C | 2 N ) -92.783 -180.000 -87.217 0.476 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -92.783 -60.000 32.783 0.344 0.300 3 ( 1 CB | 1 CA | 1 C | 2 N ) -92.783 -135.000 -42.217 0.396 0.200 4 ( 1 CB | 1 CA | 1 C | 1 O ) 88.074 180.000 91.926 0.388 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 88.074 45.000 -43.074 0.299 0.150 4 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 131.543 180.000 48.457 0.202 0.600 1 ( 3 CD2 | 3 CG | 3 CB | 3 CA ) -48.126 -90.000 -41.874 0.713 0.800 2 ( 2 C | 3 N | 3 CA | 3 C ) -83.520 -180.000 -96.480 0.417 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -83.520 -45.000 38.520 0.285 0.150 4 ( 2 C | 3 N | 3 CA | 3 CB ) 152.988 90.000 -62.988 0.635 0.400 2 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) -87.564 -180.000 -92.436 0.626 0.600 1 ( 3 C | 4 N | 4 CA | 4 C ) -140.610 -180.000 -39.390 0.085 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -140.610 -90.000 50.610 0.358 0.300 2 ( 3 C | 4 N | 4 CA | 4 C ) -140.610 -180.000 -39.390 0.331 0.225 3 ( 3 C | 4 N | 4 CA | 4 C ) -140.610 -108.000 32.610 0.147 0.075 5 ( 3 C | 4 N | 4 CA | 4 CB ) 97.032 180.000 82.968 0.439 0.500 1 ( 3 C | 4 N | 4 CA | 4 CB ) 97.032 60.000 -37.032 0.408 0.300 3 ( 3 C | 4 N | 4 CA | 4 CB ) 97.032 135.000 37.968 0.376 0.200 4 ( 3 CB | 3 CA | 3 C | 4 N ) 135.636 180.000 44.364 0.143 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) 135.636 90.000 -45.636 0.409 0.400 2 ( 3 CB | 3 CA | 3 C | 4 N ) 135.636 180.000 44.364 0.505 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) -44.274 -180.000 -135.726 0.644 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) -44.274 -90.000 -45.726 0.308 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) 88.371 180.000 91.629 0.617 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -82.064 -180.000 -97.936 0.427 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -82.064 -45.000 37.064 0.278 0.150 4 ( 4 C | 5 N | 5 CA | 5 CB ) 155.320 90.000 -65.320 0.661 0.400 2 ( 4 CB | 4 CA | 4 C | 5 N ) -93.726 -180.000 -86.274 0.468 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) -93.726 -60.000 33.726 0.358 0.300 3 ( 4 CB | 4 CA | 4 C | 5 N ) -93.726 -135.000 -41.274 0.393 0.200 4 ( 4 CB | 4 CA | 4 C | 4 O ) 86.289 180.000 93.711 0.399 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) 86.289 45.000 -41.289 0.295 0.150 4 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -104.004 -180.000 -75.996 0.455 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) -80.372 -180.000 -99.628 0.438 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) -80.372 -45.000 35.372 0.267 0.150 4 ( 5 C | 6 N | 6 CA | 6 CB ) 155.831 90.000 -65.831 0.666 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) -133.521 -180.000 -46.479 0.156 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) -133.521 -90.000 43.521 0.379 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) -133.521 -180.000 -46.479 0.528 0.300 3 ( 5 CB | 5 CA | 5 C | 5 O ) 46.441 180.000 133.559 0.633 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) 46.441 90.000 43.559 0.285 0.300 2 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) 50.753 180.000 129.247 0.980 0.600 1 ( 7 CD2 | 7 CG | 7 CB | 7 CA ) -126.831 -90.000 36.831 0.575 0.800 2 ( 6 C | 7 N | 7 CA | 7 C ) 57.918 180.000 122.082 0.574 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) 57.918 90.000 32.082 0.169 0.300 2 ( 6 C | 7 N | 7 CA | 7 CB ) -65.876 -180.000 -114.124 0.704 0.500 1 ( 6 CB | 6 CA | 6 C | 7 N ) -62.790 -180.000 -117.210 0.729 0.500 1 ( 6 CB | 6 CA | 6 C | 6 O ) 117.680 180.000 62.320 0.201 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) 117.680 60.000 -57.680 0.448 0.225 3 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) -119.941 -180.000 -60.059 0.301 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -76.720 -180.000 -103.280 0.461 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -76.720 -45.000 31.720 0.240 0.150 4 ( 7 C | 8 N | 8 CA | 8 C ) -76.720 -108.000 -31.280 0.144 0.075 5 ( 7 C | 8 N | 8 CA | 8 CB ) 158.583 90.000 -68.583 0.693 0.400 2 ( 7 CB | 7 CA | 7 C | 8 N ) 157.395 90.000 -67.395 0.682 0.400 2 ( 7 CB | 7 CA | 7 C | 7 O ) -23.387 -180.000 -156.613 0.719 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) -23.387 -90.000 -66.613 0.505 0.300 2 ( 7 CB | 7 CA | 7 C | 7 O ) -23.387 -60.000 -36.613 0.301 0.225 3 ( 8 C | 9 N | 9 CA | 9 C ) -169.940 -90.000 79.940 0.582 0.300 2 ( 8 C | 9 N | 9 CA | 9 C ) -169.940 -135.000 34.940 0.265 0.150 4 ( 8 C | 9 N | 9 CA | 9 CB ) 68.462 180.000 111.538 0.684 0.500 1 ( 8 C | 9 N | 9 CA | 9 CB ) 68.462 36.000 -32.462 0.195 0.100 5 ( 8 CB | 8 CA | 8 C | 9 N ) -165.907 -90.000 75.907 0.753 0.400 2 ( 8 CB | 8 CA | 8 C | 9 N ) -165.907 -135.000 30.907 0.311 0.200 4 ( 8 CB | 8 CA | 8 C | 8 O ) 14.345 180.000 165.655 0.738 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 14.345 90.000 75.655 0.563 0.300 2 ( 8 CB | 8 CA | 8 C | 8 O ) 14.345 60.000 45.655 0.389 0.225 3 ( 8 CB | 8 CA | 8 C | 8 O ) 14.345 45.000 30.655 0.231 0.150 4 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) 74.446 180.000 105.554 0.761 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -125.561 -180.000 -54.439 0.157 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -125.561 -90.000 35.561 0.203 0.300 2 ( 9 C | 10 N | 10 CA | 10 C ) -125.561 -180.000 -54.439 0.441 0.225 3 ( 9 C | 10 N | 10 CA | 10 CB ) 110.920 180.000 69.080 0.321 0.500 1 ( 9 C | 10 N | 10 CA | 10 CB ) 110.920 60.000 -50.920 0.567 0.300 3 ( 9 CB | 9 CA | 9 C | 10 N ) -69.062 -180.000 -110.938 0.679 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -69.062 -36.000 33.062 0.197 0.100 5 ( 9 CB | 9 CA | 9 C | 9 O ) 111.391 180.000 68.609 0.238 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 111.391 60.000 -51.391 0.428 0.225 3 ( 10 C | 11 N | 11 CA | 11 C ) -67.943 -180.000 -112.057 0.516 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -67.943 -36.000 31.943 0.145 0.075 5 ( 10 C | 11 N | 11 CA | 11 CB ) 169.154 90.000 -79.154 0.772 0.400 2 ( 10 C | 11 N | 11 CA | 11 CB ) 169.154 135.000 -34.154 0.345 0.200 4 ( 10 CB | 10 CA | 10 C | 11 N ) 147.334 180.000 32.666 0.079 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) 147.334 90.000 -57.334 0.567 0.400 2 ( 10 CB | 10 CA | 10 C | 11 N ) 147.334 180.000 32.666 0.342 0.300 3 ( 10 CB | 10 CA | 10 C | 11 N ) 147.334 180.000 32.666 0.196 0.100 5 ( 10 CB | 10 CA | 10 C | 10 O ) -32.450 -180.000 -147.550 0.691 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) -32.450 -90.000 -57.550 0.427 0.300 2 ( 11 C | 12 N | 12 CA | 12 C ) -81.128 -180.000 -98.872 0.433 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) -81.128 -45.000 36.128 0.272 0.150 4 ( 11 C | 12 N | 12 CA | 12 CB ) 155.933 90.000 -65.933 0.667 0.400 2 ( 11 CB | 11 CA | 11 C | 12 N ) 90.996 180.000 89.004 0.491 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) 90.996 60.000 -30.996 0.316 0.300 3 ( 11 CB | 11 CA | 11 C | 12 N ) 90.996 135.000 44.004 0.400 0.200 4 ( 11 CB | 11 CA | 11 C | 11 O ) -88.822 -180.000 -91.178 0.383 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) -88.822 -45.000 43.822 0.299 0.150 4 ( 12 C | 13 N | 13 CA | 13 C ) -77.895 -180.000 -102.105 0.454 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) -77.895 -45.000 32.895 0.250 0.150 4 ( 12 C | 13 N | 13 CA | 13 C ) -77.895 -108.000 -30.105 0.140 0.075 5 ( 12 C | 13 N | 13 CA | 13 CB ) 159.111 90.000 -69.111 0.698 0.400 2 ( 12 CB | 12 CA | 12 C | 13 N ) -113.818 -180.000 -66.182 0.298 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) -113.818 -60.000 53.818 0.584 0.300 3 ( 12 CB | 12 CA | 12 C | 12 O ) 65.559 180.000 114.441 0.530 0.375 1 ( 13 CB | 13 CA | 13 C | 14 N ) -122.760 -180.000 -57.240 0.229 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -122.760 -90.000 32.760 0.234 0.400 2 ( 13 CB | 13 CA | 13 C | 14 N ) -122.760 -180.000 -57.240 0.597 0.300 3 ( 13 CB | 13 CA | 13 C | 13 O ) 57.318 180.000 122.682 0.577 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 57.318 90.000 32.682 0.175 0.300 2 ( 14 C | 15 N | 15 CA | 15 C ) -135.287 -180.000 -44.713 0.109 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -135.287 -90.000 45.287 0.303 0.300 2 ( 14 C | 15 N | 15 CA | 15 C ) -135.287 -180.000 -44.713 0.382 0.225 3 ( 14 C | 15 N | 15 CA | 15 CB ) 102.606 180.000 77.394 0.391 0.500 1 ( 14 C | 15 N | 15 CA | 15 CB ) 102.606 60.000 -42.606 0.484 0.300 3 ( 14 C | 15 N | 15 CA | 15 CB ) 102.606 135.000 32.394 0.327 0.200 4 ( 14 CB | 14 CA | 14 C | 15 N ) -132.716 -180.000 -47.284 0.161 0.500 1 ( 14 CB | 14 CA | 14 C | 15 N ) -132.716 -90.000 42.716 0.368 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -132.716 -180.000 -47.284 0.536 0.300 3 ( 14 CB | 14 CA | 14 C | 14 O ) 48.340 180.000 131.660 0.624 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 48.340 90.000 41.660 0.265 0.300 2 ( 15 C | 16 N | 16 CA | 16 C ) -57.485 -180.000 -122.515 0.577 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -57.485 -90.000 -32.515 0.173 0.300 2 ( 15 C | 16 N | 16 CA | 16 CB ) 179.441 90.000 -89.441 0.800 0.400 2 ( 15 C | 16 N | 16 CA | 16 CB ) 179.441 135.000 -44.441 0.400 0.200 4 ( 15 CB | 15 CA | 15 C | 16 N ) 51.594 180.000 128.406 0.811 0.500 1 ( 15 CB | 15 CA | 15 C | 16 N ) 51.594 90.000 38.406 0.309 0.400 2 ( 15 CB | 15 CA | 15 C | 15 O ) -129.402 -180.000 -50.598 0.137 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) -129.402 -90.000 39.402 0.242 0.300 2 ( 15 CB | 15 CA | 15 C | 15 O ) -129.402 -180.000 -50.598 0.423 0.225 3 ( 16 C | 17 N | 17 CA | 17 C ) -89.792 -180.000 -90.208 0.376 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -89.792 -45.000 44.792 0.300 0.150 4 ( 16 C | 17 N | 17 CA | 17 CB ) 148.117 180.000 31.883 0.075 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 148.117 90.000 -58.117 0.577 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 148.117 180.000 31.883 0.330 0.300 3 ( 16 C | 17 N | 17 CA | 17 CB ) 148.117 180.000 31.883 0.194 0.100 5 ( 16 CB | 16 CA | 16 C | 17 N ) -134.579 -180.000 -45.421 0.149 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -134.579 -90.000 44.579 0.394 0.400 2 ( 16 CB | 16 CA | 16 C | 17 N ) -134.579 -180.000 -45.421 0.517 0.300 3 ( 16 CB | 16 CA | 16 C | 16 O ) 46.471 180.000 133.529 0.633 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 46.471 90.000 43.529 0.285 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) -121.082 -180.000 -58.918 0.181 0.375 1 ( 17 C | 18 N | 18 CA | 18 C ) -121.082 -90.000 31.082 0.160 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) -121.082 -180.000 -58.918 0.450 0.225 3 ( 17 CB | 17 CA | 17 C | 18 N ) -79.484 -180.000 -100.516 0.591 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -79.484 -45.000 34.484 0.348 0.200 4 ( 17 CB | 17 CA | 17 C | 17 O ) 100.411 180.000 79.589 0.307 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 100.411 60.000 -40.411 0.342 0.225 3 ( 17 CB | 17 CA | 17 C | 17 O ) 100.411 135.000 34.589 0.262 0.150 4 ( 18 C | 19 N | 19 CA | 19 C ) -67.613 -180.000 -112.387 0.518 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -67.613 -36.000 31.613 0.145 0.075 5 ( 18 C | 19 N | 19 CA | 19 CB ) 170.291 90.000 -80.291 0.777 0.400 2 ( 18 C | 19 N | 19 CA | 19 CB ) 170.291 135.000 -35.291 0.356 0.200 4 ( 19 C | 20 N | 20 CA | 20 C ) -111.658 -180.000 -68.342 0.237 0.375 1 ( 19 C | 20 N | 20 CA | 20 C ) -111.658 -60.000 51.658 0.429 0.225 3 ( 19 C | 20 N | 20 CA | 20 CB ) 125.011 180.000 54.989 0.213 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 125.011 90.000 -35.011 0.263 0.400 2 ( 19 C | 20 N | 20 CA | 20 CB ) 125.011 180.000 54.989 0.590 0.300 3 ( 19 CB | 19 CA | 19 C | 20 N ) -96.566 -180.000 -83.434 0.443 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -96.566 -60.000 36.566 0.401 0.300 3 ( 19 CB | 19 CA | 19 C | 20 N ) -96.566 -135.000 -38.434 0.379 0.200 4 ( 19 CB | 19 CA | 19 C | 19 O ) 83.541 180.000 96.459 0.417 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 83.541 45.000 -38.541 0.285 0.150 4 ( 20 C | 21 N | 21 CA | 21 C ) 97.303 180.000 82.697 0.327 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) 97.303 60.000 -37.303 0.309 0.225 3 ( 20 C | 21 N | 21 CA | 21 C ) 97.303 135.000 37.697 0.281 0.150 4 ( 20 CB | 20 CA | 20 C | 21 N ) 55.395 180.000 124.605 0.784 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) 55.395 90.000 34.605 0.258 0.400 2 ( 20 CB | 20 CA | 20 C | 20 O ) -124.378 -180.000 -55.622 0.163 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) -124.378 -90.000 34.378 0.191 0.300 2 ( 20 CB | 20 CA | 20 C | 20 O ) -124.378 -180.000 -55.622 0.444 0.225 3 ( 21 C | 22 N | 22 CA | 22 C ) -86.951 -180.000 -93.049 0.395 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -86.951 -45.000 41.951 0.297 0.150 4 ( 21 C | 22 N | 22 CA | 22 CB ) 151.856 90.000 -61.856 0.622 0.400 2 ( 23 CZ | 23 NE | 23 CD | 23 CG ) -129.310 -180.000 -50.690 0.733 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -49.115 -180.000 -130.885 0.620 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -49.115 -90.000 -40.885 0.257 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -170.444 -90.000 80.444 0.778 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -170.444 -135.000 35.444 0.357 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -84.805 -180.000 -95.195 0.545 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -84.805 -45.000 39.805 0.387 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 95.027 180.000 84.973 0.342 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 95.027 60.000 -35.027 0.284 0.225 3 ( 22 CB | 22 CA | 22 C | 22 O ) 95.027 135.000 39.973 0.291 0.150 4 ( 23 C | 24 N | 24 CA | 24 C ) -55.414 -180.000 -124.586 0.588 0.375 1 ( 23 C | 24 N | 24 CA | 24 C ) -55.414 -90.000 -34.586 0.193 0.300 2 ( 23 C | 24 N | 24 CA | 24 CB ) -178.232 -90.000 88.232 0.799 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) -178.232 -135.000 43.232 0.398 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 77.660 180.000 102.340 0.607 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 77.660 45.000 -32.660 0.330 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 77.660 108.000 30.340 0.188 0.100 5 ( 23 CB | 23 CA | 23 C | 23 O ) -102.660 -180.000 -77.340 0.293 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -102.660 -60.000 42.660 0.363 0.225 3 ( 23 CB | 23 CA | 23 C | 23 O ) -102.660 -135.000 -32.340 0.245 0.150 4 ( 24 C | 25 N | 25 CA | 25 C ) -55.501 -180.000 -124.499 0.587 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -55.501 -90.000 -34.499 0.192 0.300 2 ( 24 C | 25 N | 25 CA | 25 CB ) -177.349 -90.000 87.349 0.798 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) -177.349 -135.000 42.349 0.397 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 64.057 180.000 115.943 0.719 0.500 1 ( 24 CB | 24 CA | 24 C | 24 O ) -116.557 -180.000 -63.443 0.207 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -116.557 -60.000 56.557 0.446 0.225 3 ( 26 CZ | 26 NE | 26 CD | 26 CG ) -149.501 -180.000 -30.499 0.277 2.000 1 ( 25 C | 26 N | 26 CA | 26 C ) -63.719 -180.000 -116.281 0.541 0.375 1 ( 25 C | 26 N | 26 CA | 26 CB ) 172.119 90.000 -82.119 0.785 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 172.119 135.000 -37.119 0.370 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 80.938 180.000 99.062 0.579 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 80.938 45.000 -35.938 0.361 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -99.414 -180.000 -80.586 0.314 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -99.414 -60.000 39.414 0.331 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -99.414 -135.000 -35.586 0.269 0.150 4 ( 26 C | 27 N | 27 CA | 27 C ) -62.954 -180.000 -117.046 0.546 0.375 1 ( 26 C | 27 N | 27 CA | 27 CB ) 174.651 90.000 -84.651 0.793 0.400 2 ( 26 C | 27 N | 27 CA | 27 CB ) 174.651 135.000 -39.651 0.386 0.200 4 ( 26 CB | 26 CA | 26 C | 27 N ) 88.509 180.000 91.491 0.513 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 88.509 45.000 -43.509 0.399 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -92.566 -180.000 -87.434 0.358 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -92.566 -60.000 32.566 0.255 0.225 3 ( 26 CB | 26 CA | 26 C | 26 O ) -92.566 -135.000 -42.434 0.298 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -65.129 -180.000 -114.871 0.533 0.375 1 ( 27 C | 28 N | 28 CA | 28 CB ) 171.943 90.000 -81.943 0.784 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 171.943 135.000 -36.943 0.369 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 86.404 180.000 93.596 0.531 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 86.404 45.000 -41.404 0.394 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -94.237 -180.000 -85.763 0.347 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -94.237 -60.000 34.237 0.275 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -94.237 -135.000 -40.763 0.293 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -70.003 -180.000 -109.997 0.503 0.375 1 ( 28 C | 29 N | 29 CA | 29 C ) -70.003 -36.000 34.003 0.149 0.075 5 ( 28 C | 29 N | 29 CA | 29 CB ) 164.836 90.000 -74.836 0.745 0.400 2 ( 28 CB | 28 CA | 28 C | 29 N ) 69.776 180.000 110.224 0.673 0.500 1 ( 28 CB | 28 CA | 28 C | 29 N ) 69.776 36.000 -33.776 0.198 0.100 5 ( 28 CB | 28 CA | 28 C | 28 O ) -110.164 -180.000 -69.836 0.246 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -110.164 -60.000 50.164 0.421 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -64.842 -180.000 -115.158 0.534 0.375 1 ( 29 C | 30 N | 30 CA | 30 CB ) 172.436 90.000 -82.436 0.786 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 172.436 135.000 -37.436 0.373 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 100.362 180.000 79.638 0.410 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 100.362 60.000 -40.362 0.455 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 100.362 135.000 34.638 0.350 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -79.845 -180.000 -100.155 0.441 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -79.845 -45.000 34.845 0.264 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -96.012 -180.000 -83.988 0.336 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -96.012 -60.000 36.012 0.295 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -96.012 -135.000 -38.988 0.287 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 141.766 180.000 38.234 0.107 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 141.766 90.000 -51.766 0.494 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 141.766 180.000 38.234 0.425 0.300 3 ( 30 C | 31 N | 31 CA | 31 CB ) 141.766 108.000 -33.766 0.198 0.100 5 ( 30 CB | 30 CA | 30 C | 31 N ) 83.727 180.000 96.273 0.555 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 83.727 45.000 -38.727 0.381 0.200 4 ( 30 CB | 30 CA | 30 C | 30 O ) -96.535 -180.000 -83.465 0.332 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -96.535 -60.000 36.535 0.300 0.225 3 ( 30 CB | 30 CA | 30 C | 30 O ) -96.535 -135.000 -38.465 0.285 0.150 4 ( 31 C | 32 N | 32 CA | 32 C ) 56.793 180.000 123.207 0.580 0.375 1 ( 31 C | 32 N | 32 CA | 32 C ) 56.793 90.000 33.207 0.180 0.300 2 ( 31 C | 32 N | 32 CA | 32 CB ) -67.268 -180.000 -112.732 0.693 0.500 1 ( 31 C | 32 N | 32 CA | 32 CB ) -67.268 -36.000 31.268 0.192 0.100 5 ( 31 CB | 31 CA | 31 C | 32 N ) 130.150 180.000 49.850 0.178 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 130.150 90.000 -40.150 0.333 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 130.150 180.000 49.850 0.559 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -49.987 -180.000 -130.013 0.616 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -49.987 -90.000 -40.013 0.248 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -93.252 -180.000 -86.748 0.354 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -93.252 -60.000 33.252 0.263 0.225 3 ( 32 C | 33 N | 33 CA | 33 C ) -93.252 -135.000 -41.748 0.296 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 144.069 180.000 35.931 0.095 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 144.069 90.000 -54.069 0.525 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 144.069 180.000 35.931 0.392 0.300 3 ( 32 C | 33 N | 33 CA | 33 CB ) 144.069 180.000 35.931 0.200 0.100 5 ( 32 CB | 32 CA | 32 C | 33 N ) -165.875 -90.000 75.875 0.752 0.400 2 ( 32 CB | 32 CA | 32 C | 33 N ) -165.875 -135.000 30.875 0.310 0.200 4 ( 32 CB | 32 CA | 32 C | 32 O ) 15.007 180.000 164.993 0.737 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 15.007 90.000 74.993 0.560 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) 15.007 60.000 44.993 0.384 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -119.275 -180.000 -60.725 0.255 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -119.275 -60.000 59.275 0.600 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 61.118 180.000 118.882 0.556 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -155.626 -90.000 65.626 0.498 0.300 2 ( 34 C | 35 N | 35 CA | 35 CB ) 79.672 180.000 100.328 0.590 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 79.672 45.000 -34.672 0.350 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 142.215 180.000 37.785 0.105 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 142.215 90.000 -52.215 0.500 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 142.215 180.000 37.785 0.419 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 142.215 108.000 -34.215 0.199 0.100 5 ( 34 CB | 34 CA | 34 C | 34 O ) -38.516 -180.000 -141.484 0.668 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -38.516 -90.000 -51.484 0.367 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -90.814 -180.000 -89.186 0.493 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -90.814 -60.000 30.814 0.313 0.300 3 ( 35 CB | 35 CA | 35 C | 36 N ) -90.814 -135.000 -44.186 0.400 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 89.537 180.000 90.463 0.378 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 89.537 45.000 -44.537 0.300 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -63.606 -180.000 -116.394 0.542 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 174.211 90.000 -84.211 0.792 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 174.211 135.000 -39.211 0.384 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -106.293 -180.000 -73.707 0.360 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -106.293 -60.000 46.293 0.526 0.300 3 ( 36 CB | 36 CA | 36 C | 36 O ) 71.968 180.000 108.032 0.491 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 71.968 36.000 -35.968 0.150 0.075 5 ( 37 C | 38 N | 38 CA | 38 C ) -48.946 -180.000 -131.054 0.621 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -48.946 -90.000 -41.054 0.259 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -170.280 -90.000 80.280 0.777 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -170.280 -135.000 35.280 0.356 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 89.794 180.000 90.206 0.502 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 89.794 45.000 -44.794 0.400 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -90.338 -180.000 -89.662 0.373 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -90.338 -60.000 30.338 0.229 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -90.338 -135.000 -44.662 0.300 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -62.334 -180.000 -117.666 0.549 0.375 1 ( 38 C | 39 N | 39 CA | 39 CB ) 174.631 90.000 -84.631 0.793 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 174.631 135.000 -39.631 0.386 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 71.689 180.000 108.311 0.657 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 71.689 36.000 -35.689 0.200 0.100 5 ( 38 CB | 38 CA | 38 C | 38 O ) -109.528 -180.000 -70.472 0.250 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -109.528 -60.000 49.528 0.417 0.225 3 ( 39 C | 40 N | 40 CA | 40 C ) -52.704 -180.000 -127.296 0.602 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -52.704 -90.000 -37.296 0.220 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.913 -90.000 83.913 0.791 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -173.913 -135.000 38.913 0.382 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 80.752 180.000 99.248 0.580 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 80.752 45.000 -35.752 0.360 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -100.139 -180.000 -79.861 0.309 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -100.139 -60.000 40.139 0.339 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -100.139 -135.000 -34.861 0.264 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -76.792 -180.000 -103.208 0.461 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -76.792 -45.000 31.792 0.241 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -76.792 -108.000 -31.208 0.144 0.075 5 ( 40 C | 41 N | 41 CA | 41 CB ) 160.774 90.000 -70.774 0.713 0.400 2 ( 40 CB | 40 CA | 40 C | 41 N ) 79.647 180.000 100.353 0.590 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 79.647 45.000 -34.647 0.350 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -100.389 -180.000 -79.611 0.307 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -100.389 -60.000 40.389 0.341 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -100.389 -135.000 -34.611 0.262 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -78.511 -180.000 -101.489 0.450 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -78.511 -45.000 33.511 0.254 0.150 4 ( 41 C | 42 N | 42 CA | 42 CB ) 158.527 90.000 -68.527 0.693 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 89.572 180.000 90.428 0.504 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 89.572 45.000 -44.572 0.400 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -90.610 -180.000 -89.390 0.371 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -90.610 -60.000 30.610 0.232 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -90.610 -135.000 -44.390 0.300 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -69.163 -180.000 -110.837 0.508 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -69.163 -36.000 33.163 0.148 0.075 5 ( 42 C | 43 N | 43 CA | 43 CB ) 168.669 90.000 -78.669 0.769 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 168.669 135.000 -33.669 0.341 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 90.005 180.000 89.995 0.500 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 90.005 60.000 -30.005 0.300 0.300 3 ( 42 CB | 42 CA | 42 C | 43 N ) 90.005 135.000 44.995 0.400 0.200 4 ( 42 CB | 42 CA | 42 C | 42 O ) -89.859 -180.000 -90.141 0.376 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -89.859 -45.000 44.859 0.300 0.150 4 ( 43 CB | 43 CA | 43 C | 44 N ) -89.276 -180.000 -90.724 0.506 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -89.276 -45.000 44.276 0.400 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 91.567 180.000 88.433 0.365 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 91.567 60.000 -31.567 0.243 0.225 3 ( 43 CB | 43 CA | 43 C | 43 O ) 91.567 135.000 43.433 0.299 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -54.600 -180.000 -125.400 0.592 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -54.600 -90.000 -35.400 0.201 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -177.788 -90.000 87.788 0.799 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -177.788 -135.000 42.788 0.398 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -76.830 -180.000 -103.170 0.614 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -76.830 -45.000 31.830 0.321 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -76.830 -108.000 -31.170 0.191 0.100 5 ( 44 CB | 44 CA | 44 C | 44 O ) 102.692 180.000 77.308 0.293 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 102.692 60.000 -42.692 0.364 0.225 3 ( 44 CB | 44 CA | 44 C | 44 O ) 102.692 135.000 32.308 0.245 0.150 4 ( 45 C | 46 N | 46 CA | 46 C ) -57.535 -180.000 -122.465 0.576 0.375 1 ( 45 C | 46 N | 46 CA | 46 C ) -57.535 -90.000 -32.465 0.173 0.300 2 ( 45 C | 46 N | 46 CA | 46 CB ) 179.967 90.000 -89.967 0.800 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 179.967 135.000 -44.967 0.400 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 90.333 180.000 89.667 0.497 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 90.333 60.000 -30.333 0.305 0.300 3 ( 45 CB | 45 CA | 45 C | 46 N ) 90.333 135.000 44.667 0.400 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -90.590 -180.000 -89.410 0.371 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -90.590 -60.000 30.590 0.232 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -90.590 -135.000 -44.410 0.300 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -61.858 -180.000 -118.142 0.552 0.375 1 ( 46 C | 47 N | 47 CA | 47 CB ) 176.065 90.000 -86.065 0.796 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 176.065 135.000 -41.065 0.393 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 60.251 180.000 119.749 0.748 0.500 1 ( 46 CB | 46 CA | 46 C | 46 O ) -119.997 -180.000 -60.003 0.188 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -119.997 -60.000 59.997 0.450 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -58.210 -180.000 -121.790 0.573 0.375 1 ( 47 C | 48 N | 48 CA | 48 C ) -58.210 -90.000 -31.790 0.167 0.300 2 ( 47 C | 48 N | 48 CA | 48 CB ) 179.362 90.000 -89.362 0.800 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 179.362 135.000 -44.362 0.400 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 86.897 180.000 93.103 0.527 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 86.897 45.000 -41.897 0.395 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -92.807 -180.000 -87.193 0.357 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -92.807 -60.000 32.807 0.258 0.225 3 ( 47 CB | 47 CA | 47 C | 47 O ) -92.807 -135.000 -42.193 0.297 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -57.287 -180.000 -122.713 0.578 0.375 1 ( 48 C | 49 N | 49 CA | 49 C ) -57.287 -90.000 -32.713 0.175 0.300 2 ( 48 C | 49 N | 49 CA | 49 CB ) -179.478 -90.000 89.478 0.800 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) -179.478 -135.000 44.478 0.400 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 70.648 180.000 109.352 0.666 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 70.648 36.000 -34.648 0.199 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -109.457 -180.000 -70.543 0.250 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -109.457 -60.000 49.457 0.417 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -59.358 -180.000 -120.642 0.566 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -59.358 -90.000 -30.642 0.156 0.300 2 ( 49 C | 50 N | 50 CA | 50 CB ) 179.389 90.000 -89.389 0.800 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) 179.389 135.000 -44.389 0.400 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 77.970 180.000 102.030 0.604 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 77.970 45.000 -32.970 0.334 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 77.970 108.000 30.030 0.187 0.100 5 ( 49 CB | 49 CA | 49 C | 49 O ) -102.434 -180.000 -77.566 0.294 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -102.434 -60.000 42.434 0.361 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -102.434 -135.000 -32.566 0.247 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -54.789 -180.000 -125.211 0.591 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -54.789 -90.000 -35.211 0.199 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -177.178 -90.000 87.178 0.798 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -177.178 -135.000 42.178 0.396 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 75.454 180.000 104.546 0.626 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 75.454 45.000 -30.454 0.305 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 75.454 108.000 32.546 0.195 0.100 5 ( 50 CB | 50 CA | 50 C | 50 O ) -104.908 -180.000 -75.092 0.279 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -104.908 -60.000 44.908 0.383 0.225 3 ( 50 CB | 50 CA | 50 C | 50 O ) -104.908 -135.000 -30.092 0.226 0.150 4 ( 51 C | 52 N | 52 CA | 52 C ) -66.645 -180.000 -113.355 0.524 0.375 1 ( 51 C | 52 N | 52 CA | 52 C ) -66.645 -36.000 30.645 0.142 0.075 5 ( 51 C | 52 N | 52 CA | 52 CB ) 171.170 90.000 -81.170 0.781 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 171.170 135.000 -36.170 0.363 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 76.055 180.000 103.945 0.620 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 76.055 45.000 -31.055 0.312 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 76.055 108.000 31.945 0.194 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -104.899 -180.000 -75.101 0.279 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -104.899 -60.000 44.899 0.383 0.225 3 ( 51 CB | 51 CA | 51 C | 51 O ) -104.899 -135.000 -30.101 0.226 0.150 4 ( 52 C | 53 N | 53 CA | 53 C ) -83.544 -180.000 -96.456 0.417 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -83.544 -45.000 38.544 0.285 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 153.443 90.000 -63.443 0.640 0.400 2 ( 52 CB | 52 CA | 52 C | 53 N ) 92.544 180.000 87.456 0.478 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 92.544 60.000 -32.544 0.340 0.300 3 ( 52 CB | 52 CA | 52 C | 53 N ) 92.544 135.000 42.456 0.397 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -86.275 -180.000 -93.725 0.399 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -86.275 -45.000 41.275 0.295 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -69.712 -180.000 -110.288 0.505 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -69.712 -36.000 33.712 0.149 0.075 5 ( 53 C | 54 N | 54 CA | 54 CB ) 167.241 90.000 -77.241 0.761 0.400 2 ( 53 C | 54 N | 54 CA | 54 CB ) 167.241 135.000 -32.241 0.326 0.200 4 ( 53 CB | 53 CA | 53 C | 54 N ) 87.222 180.000 92.778 0.524 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 87.222 45.000 -42.222 0.396 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -93.411 -180.000 -86.589 0.353 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -93.411 -60.000 33.411 0.265 0.225 3 ( 53 CB | 53 CA | 53 C | 53 O ) -93.411 -135.000 -41.589 0.296 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -84.750 -180.000 -95.250 0.409 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -84.750 -45.000 39.750 0.290 0.150 4 ( 54 C | 55 N | 55 CA | 55 CB ) 152.307 90.000 -62.307 0.627 0.400 2 ( 54 CB | 54 CA | 54 C | 55 N ) 73.345 180.000 106.655 0.643 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 73.345 108.000 34.655 0.199 0.100 5 ( 54 CB | 54 CA | 54 C | 54 O ) -106.192 -180.000 -73.808 0.270 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -106.192 -60.000 46.192 0.394 0.225 3 ( 55 CB | 55 CA | 55 C | 56 N ) -104.209 -180.000 -75.791 0.377 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -104.209 -60.000 44.209 0.503 0.300 3 ( 55 CB | 55 CA | 55 C | 56 N ) -104.209 -135.000 -30.791 0.309 0.200 4 ( 55 CB | 55 CA | 55 C | 55 O ) 75.361 180.000 104.639 0.470 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 75.361 45.000 -30.361 0.228 0.150 4 ( 55 CB | 55 CA | 55 C | 55 O ) 75.361 108.000 32.639 0.147 0.075 5 ( 56 C | 57 N | 57 CA | 57 C ) -107.782 -180.000 -72.218 0.260 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -107.782 -60.000 47.782 0.406 0.225 3 ( 56 C | 57 N | 57 CA | 57 CB ) 130.912 180.000 49.088 0.173 0.500 1 ( 56 C | 57 N | 57 CA | 57 CB ) 130.912 90.000 -40.912 0.343 0.400 2 ( 56 C | 57 N | 57 CA | 57 CB ) 130.912 180.000 49.088 0.552 0.300 3 ( 56 CB | 56 CA | 56 C | 57 N ) -157.476 -90.000 67.476 0.683 0.400 2 ( 56 CB | 56 CA | 56 C | 56 O ) 23.241 180.000 156.759 0.720 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) 23.241 90.000 66.759 0.507 0.300 2 ( 56 CB | 56 CA | 56 C | 56 O ) 23.241 60.000 36.759 0.303 0.225 3 ( 57 C | 58 N | 58 CA | 58 C ) -80.664 -180.000 -99.336 0.436 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -80.664 -45.000 35.664 0.269 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 158.836 90.000 -68.836 0.696 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -79.179 -180.000 -100.821 0.594 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -79.179 -45.000 34.179 0.346 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 101.557 180.000 78.443 0.300 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 101.557 60.000 -41.557 0.353 0.225 3 ( 57 CB | 57 CA | 57 C | 57 O ) 101.557 135.000 33.443 0.254 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -50.980 -180.000 -129.020 0.611 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -50.980 -90.000 -39.020 0.238 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -174.298 -90.000 84.298 0.792 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -174.298 -135.000 39.298 0.384 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -79.460 -180.000 -100.540 0.591 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -79.460 -45.000 34.460 0.348 0.200 4 ( 58 CB | 58 CA | 58 C | 58 O ) 99.591 180.000 80.409 0.313 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 99.591 60.000 -39.591 0.333 0.225 3 ( 58 CB | 58 CA | 58 C | 58 O ) 99.591 135.000 35.409 0.268 0.150 4 ( 59 C | 60 N | 60 CA | 60 C ) -63.412 -180.000 -116.588 0.543 0.375 1 ( 59 C | 60 N | 60 CA | 60 CB ) 174.472 90.000 -84.472 0.793 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 174.472 135.000 -39.472 0.385 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 86.042 180.000 93.958 0.535 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 86.042 45.000 -41.042 0.392 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -94.512 -180.000 -85.488 0.345 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -94.512 -60.000 34.512 0.278 0.225 3 ( 59 CB | 59 CA | 59 C | 59 O ) -94.512 -135.000 -40.488 0.293 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -64.715 -180.000 -115.285 0.535 0.375 1 ( 60 C | 61 N | 61 CA | 61 CB ) 171.882 90.000 -81.882 0.784 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 171.882 135.000 -36.882 0.369 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 81.463 180.000 98.537 0.574 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 81.463 45.000 -36.463 0.366 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -98.942 -180.000 -81.058 0.317 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -98.942 -60.000 38.942 0.327 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -98.942 -135.000 -36.058 0.272 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -58.487 -180.000 -121.513 0.571 0.375 1 ( 61 C | 62 N | 62 CA | 62 C ) -58.487 -90.000 -31.513 0.164 0.300 2 ( 61 C | 62 N | 62 CA | 62 CB ) 178.951 90.000 -88.951 0.800 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 178.951 135.000 -43.951 0.399 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 78.261 180.000 101.739 0.602 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 78.261 45.000 -33.261 0.337 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -102.272 -180.000 -77.728 0.295 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -102.272 -60.000 42.272 0.360 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -102.272 -135.000 -32.728 0.248 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -61.159 -180.000 -118.841 0.556 0.375 1 ( 62 C | 63 N | 63 CA | 63 CB ) 176.098 90.000 -86.098 0.796 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 176.098 135.000 -41.098 0.393 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 82.163 180.000 97.837 0.568 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 82.163 45.000 -37.163 0.371 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -97.745 -180.000 -82.255 0.324 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -97.745 -60.000 37.745 0.314 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -97.745 -135.000 -37.255 0.279 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -56.790 -180.000 -123.210 0.580 0.375 1 ( 63 C | 64 N | 64 CA | 64 C ) -56.790 -90.000 -33.210 0.180 0.300 2 ( 63 C | 64 N | 64 CA | 64 CB ) -178.383 -90.000 88.383 0.799 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) -178.383 -135.000 43.383 0.399 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 77.821 180.000 102.179 0.605 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 77.821 45.000 -32.821 0.332 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 77.821 108.000 30.179 0.187 0.100 5 ( 63 CB | 63 CA | 63 C | 63 O ) -102.444 -180.000 -77.556 0.294 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -102.444 -60.000 42.444 0.361 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -102.444 -135.000 -32.556 0.247 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -56.470 -180.000 -123.530 0.582 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -56.470 -90.000 -33.530 0.183 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -179.340 -90.000 89.340 0.800 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -179.340 -135.000 44.340 0.400 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 71.559 180.000 108.441 0.658 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 71.559 36.000 -35.559 0.200 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -108.550 -180.000 -71.450 0.256 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -108.550 -60.000 48.550 0.411 0.225 3 ( 66 CZ | 66 NE | 66 CD | 66 CG ) -108.631 -180.000 -71.369 1.361 2.000 1 ( 65 C | 66 N | 66 CA | 66 C ) -67.955 -180.000 -112.045 0.516 0.375 1 ( 65 C | 66 N | 66 CA | 66 C ) -67.955 -36.000 31.955 0.145 0.075 5 ( 65 C | 66 N | 66 CA | 66 CB ) 168.651 90.000 -78.651 0.769 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 168.651 135.000 -33.651 0.340 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 86.529 180.000 93.471 0.530 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 86.529 45.000 -41.529 0.394 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -94.187 -180.000 -85.813 0.348 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -94.187 -60.000 34.187 0.274 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -94.187 -135.000 -40.813 0.294 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -66.259 -180.000 -113.741 0.526 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -66.259 -36.000 30.259 0.141 0.075 5 ( 66 C | 67 N | 67 CA | 67 CB ) 171.070 90.000 -81.070 0.781 0.400 2 ( 66 C | 67 N | 67 CA | 67 CB ) 171.070 135.000 -36.070 0.362 0.200 4 ( 66 CB | 66 CA | 66 C | 67 N ) 86.617 180.000 93.383 0.530 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 86.617 45.000 -41.617 0.394 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -94.018 -180.000 -85.982 0.349 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -94.018 -60.000 34.018 0.272 0.225 3 ( 66 CB | 66 CA | 66 C | 66 O ) -94.018 -135.000 -40.982 0.294 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -57.086 -180.000 -122.914 0.579 0.375 1 ( 67 C | 68 N | 68 CA | 68 C ) -57.086 -90.000 -32.914 0.177 0.300 2 ( 67 C | 68 N | 68 CA | 68 CB ) -178.954 -90.000 88.954 0.800 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) -178.954 -135.000 43.954 0.399 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 80.440 180.000 99.560 0.583 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 80.440 45.000 -35.440 0.357 0.200 4 ( 67 CB | 67 CA | 67 C | 67 O ) -100.432 -180.000 -79.568 0.307 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -100.432 -60.000 40.432 0.342 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -100.432 -135.000 -34.568 0.262 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) -144.167 -180.000 -35.833 0.379 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -59.466 -180.000 -120.534 0.566 0.375 1 ( 68 C | 69 N | 69 CA | 69 C ) -59.466 -90.000 -30.534 0.155 0.300 2 ( 68 C | 69 N | 69 CA | 69 CB ) 178.859 90.000 -88.859 0.800 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) 178.859 135.000 -43.859 0.399 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 76.406 180.000 103.594 0.618 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 76.406 45.000 -31.406 0.316 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 76.406 108.000 31.594 0.193 0.100 5 ( 68 CB | 68 CA | 68 C | 68 O ) -103.960 -180.000 -76.040 0.285 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -103.960 -60.000 43.960 0.375 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -103.960 -135.000 -31.040 0.234 0.150 4 ( 70 CZ | 70 NE | 70 CD | 70 CG ) 90.157 180.000 89.843 1.995 2.000 1 ( 69 C | 70 N | 70 CA | 70 C ) -63.968 -180.000 -116.032 0.540 0.375 1 ( 69 C | 70 N | 70 CA | 70 CB ) 173.354 90.000 -83.354 0.789 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) 173.354 135.000 -38.354 0.379 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 76.571 180.000 103.429 0.616 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 76.571 45.000 -31.571 0.318 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 76.571 108.000 31.429 0.192 0.100 5 ( 69 CB | 69 CA | 69 C | 69 O ) -103.665 -180.000 -76.335 0.286 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -103.665 -60.000 43.665 0.373 0.225 3 ( 69 CB | 69 CA | 69 C | 69 O ) -103.665 -135.000 -31.335 0.237 0.150 4 ( 71 CZ | 71 NE | 71 CD | 71 CG ) -146.868 -180.000 -33.132 0.325 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -76.864 -180.000 -103.136 0.460 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -76.864 -45.000 31.864 0.241 0.150 4 ( 70 C | 71 N | 71 CA | 71 C ) -76.864 -108.000 -31.136 0.143 0.075 5 ( 70 C | 71 N | 71 CA | 71 CB ) 159.972 90.000 -69.972 0.706 0.400 2 ( 70 CB | 70 CA | 70 C | 71 N ) 73.715 180.000 106.285 0.640 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 73.715 108.000 34.285 0.199 0.100 5 ( 70 CB | 70 CA | 70 C | 70 O ) -106.042 -180.000 -73.958 0.271 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -106.042 -60.000 46.042 0.393 0.225 3 ( 71 C | 72 N | 72 CA | 72 C ) -69.210 -180.000 -110.790 0.508 0.375 1 ( 71 C | 72 N | 72 CA | 72 C ) -69.210 -36.000 33.210 0.148 0.075 5 ( 71 CB | 71 CA | 71 C | 72 N ) 93.050 180.000 86.950 0.473 0.500 1 ( 71 CB | 71 CA | 71 C | 72 N ) 93.050 60.000 -33.050 0.348 0.300 3 ( 71 CB | 71 CA | 71 C | 72 N ) 93.050 135.000 41.950 0.395 0.200 4 ( 71 CB | 71 CA | 71 C | 71 O ) -87.106 -180.000 -92.894 0.394 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -87.106 -45.000 42.106 0.297 0.150 4 ( 72 C | 73 N | 73 CA | 73 C ) -67.130 -180.000 -112.870 0.521 0.375 1 ( 72 C | 73 N | 73 CA | 73 C ) -67.130 -36.000 31.130 0.143 0.075 5 ( 72 C | 73 N | 73 CA | 73 CB ) 169.717 90.000 -79.717 0.775 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 169.717 135.000 -34.717 0.351 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -54.327 -180.000 -125.673 0.594 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -54.327 -90.000 -35.673 0.204 0.300 2 ( 73 C | 74 N | 74 CA | 74 CB ) -176.351 -90.000 86.351 0.797 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) -176.351 -135.000 41.351 0.394 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 97.051 180.000 82.949 0.439 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 97.051 60.000 -37.051 0.408 0.300 3 ( 73 CB | 73 CA | 73 C | 74 N ) 97.051 135.000 37.949 0.376 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -83.980 -180.000 -96.020 0.414 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -83.980 -45.000 38.980 0.287 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -56.350 -180.000 -123.650 0.583 0.375 1 ( 74 C | 75 N | 75 CA | 75 C ) -56.350 -90.000 -33.650 0.184 0.300 2 ( 74 C | 75 N | 75 CA | 75 CB ) -177.818 -90.000 87.818 0.799 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) -177.818 -135.000 42.818 0.398 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 90.010 180.000 89.990 0.500 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 90.010 60.000 -30.010 0.300 0.300 3 ( 74 CB | 74 CA | 74 C | 75 N ) 90.010 135.000 44.990 0.400 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -90.369 -180.000 -89.631 0.373 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -90.369 -60.000 30.369 0.229 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -90.369 -135.000 -44.631 0.300 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -91.371 -180.000 -88.629 0.366 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -91.371 -60.000 31.371 0.241 0.225 3 ( 75 C | 76 N | 76 CA | 76 C ) -91.371 -135.000 -43.629 0.299 0.150 4 ( 75 C | 76 N | 76 CA | 76 CB ) 146.654 180.000 33.346 0.082 0.500 1 ( 75 C | 76 N | 76 CA | 76 CB ) 146.654 90.000 -56.654 0.558 0.400 2 ( 75 C | 76 N | 76 CA | 76 CB ) 146.654 180.000 33.346 0.352 0.300 3 ( 75 C | 76 N | 76 CA | 76 CB ) 146.654 180.000 33.346 0.197 0.100 5 ( 75 CB | 75 CA | 75 C | 76 N ) 80.829 180.000 99.171 0.580 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 80.829 45.000 -35.829 0.360 0.200 4 ( 75 CB | 75 CA | 75 C | 75 O ) -99.894 -180.000 -80.106 0.311 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -99.894 -60.000 39.894 0.336 0.225 3 ( 75 CB | 75 CA | 75 C | 75 O ) -99.894 -135.000 -35.106 0.266 0.150 4 ( 76 C | 77 N | 77 CA | 77 C ) -44.657 -180.000 -135.343 0.642 0.375 1 ( 76 C | 77 N | 77 CA | 77 C ) -44.657 -90.000 -45.343 0.304 0.300 2 ( 76 C | 77 N | 77 CA | 77 CB ) -168.222 -90.000 78.222 0.767 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) -168.222 -135.000 33.222 0.336 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 104.440 180.000 75.560 0.375 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 104.440 60.000 -44.440 0.506 0.300 3 ( 76 CB | 76 CA | 76 C | 77 N ) 104.440 135.000 30.560 0.307 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -76.920 -180.000 -103.080 0.460 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -76.920 -45.000 31.920 0.242 0.150 4 ( 76 CB | 76 CA | 76 C | 76 O ) -76.920 -108.000 -31.080 0.143 0.075 5 ( 77 C | 78 N | 78 CA | 78 C ) -59.407 -180.000 -120.593 0.566 0.375 1 ( 77 C | 78 N | 78 CA | 78 C ) -59.407 -90.000 -30.593 0.155 0.300 2 ( 77 C | 78 N | 78 CA | 78 CB ) 177.724 90.000 -87.724 0.799 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) 177.724 135.000 -42.724 0.397 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 77.073 180.000 102.927 0.612 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 77.073 45.000 -32.073 0.324 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 77.073 108.000 30.927 0.190 0.100 5 ( 77 CB | 77 CA | 77 C | 77 O ) -102.864 -180.000 -77.136 0.292 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -102.864 -60.000 42.864 0.365 0.225 3 ( 77 CB | 77 CA | 77 C | 77 O ) -102.864 -135.000 -32.136 0.243 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -81.509 -180.000 -98.491 0.430 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -81.509 -45.000 36.509 0.274 0.150 4 ( 78 C | 79 N | 79 CA | 79 CB ) 156.108 90.000 -66.108 0.669 0.400 2 ( 78 CB | 78 CA | 78 C | 79 N ) 84.516 180.000 95.484 0.548 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 84.516 45.000 -39.516 0.386 0.200 4 ( 78 CB | 78 CA | 78 C | 78 O ) -95.767 -180.000 -84.233 0.337 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -95.767 -60.000 35.767 0.292 0.225 3 ( 78 CB | 78 CA | 78 C | 78 O ) -95.767 -135.000 -39.233 0.288 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -76.383 -180.000 -103.617 0.463 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -76.383 -45.000 31.383 0.237 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -76.383 -108.000 -31.617 0.145 0.075 5 ( 79 C | 80 N | 80 CA | 80 CB ) 160.868 90.000 -70.868 0.714 0.400 2 ( 79 CB | 79 CA | 79 C | 80 N ) 89.420 180.000 90.580 0.505 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 89.420 45.000 -44.420 0.400 0.200 4 ( 79 CB | 79 CA | 79 C | 79 O ) -90.322 -180.000 -89.678 0.373 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -90.322 -60.000 30.322 0.229 0.225 3 ( 79 CB | 79 CA | 79 C | 79 O ) -90.322 -135.000 -44.678 0.300 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -59.084 -180.000 -120.916 0.568 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -59.084 -90.000 -30.916 0.158 0.300 2 ( 80 C | 81 N | 81 CA | 81 CB ) 178.856 90.000 -88.856 0.800 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 178.856 135.000 -43.856 0.399 0.200 4 ( 80 CB | 80 CA | 80 C | 81 N ) 103.941 180.000 76.059 0.380 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 103.941 60.000 -43.941 0.500 0.300 3 ( 80 CB | 80 CA | 80 C | 81 N ) 103.941 135.000 31.059 0.313 0.200 4 ( 80 CB | 80 CA | 80 C | 80 O ) -76.407 -180.000 -103.593 0.463 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -76.407 -45.000 31.407 0.237 0.150 4 ( 80 CB | 80 CA | 80 C | 80 O ) -76.407 -108.000 -31.593 0.145 0.075 5 ( 81 C | 82 N | 82 CA | 82 C ) 72.359 180.000 107.641 0.489 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) 72.359 108.000 35.641 0.150 0.075 5 ( 81 C | 82 N | 82 CA | 82 CB ) -52.110 -180.000 -127.890 0.807 0.500 1 ( 81 C | 82 N | 82 CA | 82 CB ) -52.110 -90.000 -37.890 0.302 0.400 2 ( 81 CB | 81 CA | 81 C | 82 N ) -81.030 -180.000 -98.970 0.578 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) -81.030 -45.000 36.030 0.362 0.200 4 ( 81 CB | 81 CA | 81 C | 81 O ) 98.915 180.000 81.085 0.317 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) 98.915 60.000 -38.915 0.326 0.225 3 ( 81 CB | 81 CA | 81 C | 81 O ) 98.915 135.000 36.085 0.272 0.150 4 ( 82 C | 83 N | 83 CA | 83 C ) -94.316 -180.000 -85.684 0.347 0.375 1 ( 82 C | 83 N | 83 CA | 83 C ) -94.316 -60.000 34.316 0.275 0.225 3 ( 82 C | 83 N | 83 CA | 83 C ) -94.316 -135.000 -40.684 0.293 0.150 4 ( 82 C | 83 N | 83 CA | 83 CB ) 143.036 180.000 36.964 0.100 0.500 1 ( 82 C | 83 N | 83 CA | 83 CB ) 143.036 90.000 -53.036 0.511 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 143.036 180.000 36.964 0.407 0.300 3 ( 82 C | 83 N | 83 CA | 83 CB ) 143.036 108.000 -35.036 0.200 0.100 5 ( 82 CB | 82 CA | 82 C | 83 N ) 144.710 180.000 35.290 0.092 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) 144.710 90.000 -54.710 0.533 0.400 2 ( 82 CB | 82 CA | 82 C | 83 N ) 144.710 180.000 35.290 0.382 0.300 3 ( 82 CB | 82 CA | 82 C | 83 N ) 144.710 180.000 35.290 0.200 0.100 5 ( 82 CB | 82 CA | 82 C | 82 O ) -36.658 -180.000 -143.342 0.676 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) -36.658 -90.000 -53.342 0.386 0.300 2 ( 84 CZ | 84 NE | 84 CD | 84 CG ) 134.770 180.000 45.230 0.591 2.000 1 ( 83 C | 84 N | 84 CA | 84 C ) -96.648 -180.000 -83.352 0.332 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -96.648 -60.000 36.648 0.302 0.225 3 ( 83 C | 84 N | 84 CA | 84 C ) -96.648 -135.000 -38.352 0.284 0.150 4 ( 83 C | 84 N | 84 CA | 84 CB ) 141.710 180.000 38.290 0.108 0.500 1 ( 83 C | 84 N | 84 CA | 84 CB ) 141.710 90.000 -51.710 0.493 0.400 2 ( 83 C | 84 N | 84 CA | 84 CB ) 141.710 180.000 38.290 0.426 0.300 3 ( 83 C | 84 N | 84 CA | 84 CB ) 141.710 108.000 -33.710 0.198 0.100 5 ( 83 CB | 83 CA | 83 C | 84 N ) -116.932 -180.000 -63.068 0.274 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -116.932 -60.000 56.932 0.596 0.300 3 ( 83 CB | 83 CA | 83 C | 83 O ) 64.608 180.000 115.392 0.536 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -92.328 -180.000 -87.672 0.360 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -92.328 -60.000 32.328 0.252 0.225 3 ( 84 C | 85 N | 85 CA | 85 C ) -92.328 -135.000 -42.672 0.298 0.150 4 ( 84 C | 85 N | 85 CA | 85 CB ) 146.523 180.000 33.477 0.083 0.500 1 ( 84 C | 85 N | 85 CA | 85 CB ) 146.523 90.000 -56.523 0.557 0.400 2 ( 84 C | 85 N | 85 CA | 85 CB ) 146.523 180.000 33.477 0.354 0.300 3 ( 84 C | 85 N | 85 CA | 85 CB ) 146.523 180.000 33.477 0.198 0.100 5 ( 84 CB | 84 CA | 84 C | 85 N ) -67.354 -180.000 -112.646 0.693 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) -67.354 -36.000 31.354 0.192 0.100 5 ( 84 CB | 84 CA | 84 C | 84 O ) 112.781 180.000 67.219 0.230 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 112.781 60.000 -52.781 0.434 0.225 3 ( 85 C | 86 N | 86 CA | 86 C ) -101.079 -180.000 -78.921 0.303 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -101.079 -60.000 41.079 0.348 0.225 3 ( 85 C | 86 N | 86 CA | 86 C ) -101.079 -135.000 -33.921 0.257 0.150 4 ( 85 C | 86 N | 86 CA | 86 CB ) 136.068 180.000 43.932 0.140 0.500 1 ( 85 C | 86 N | 86 CA | 86 CB ) 136.068 90.000 -46.068 0.415 0.400 2 ( 85 C | 86 N | 86 CA | 86 CB ) 136.068 180.000 43.932 0.500 0.300 3 ( 85 CB | 85 CA | 85 C | 86 N ) -130.532 -180.000 -49.468 0.175 0.500 1 ( 85 CB | 85 CA | 85 C | 86 N ) -130.532 -90.000 40.532 0.338 0.400 2 ( 85 CB | 85 CA | 85 C | 86 N ) -130.532 -180.000 -49.468 0.556 0.300 3 ( 85 CB | 85 CA | 85 C | 85 O ) 49.931 180.000 130.069 0.616 0.375 1 ( 85 CB | 85 CA | 85 C | 85 O ) 49.931 90.000 40.069 0.249 0.300 2 ( 86 C | 87 N | 87 CA | 87 C ) -83.755 -180.000 -96.245 0.416 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -83.755 -45.000 38.755 0.286 0.150 4 ( 86 C | 87 N | 87 CA | 87 CB ) 153.494 90.000 -63.494 0.641 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) -165.669 -90.000 75.669 0.751 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) -165.669 -135.000 30.669 0.308 0.200 4 ( 86 CB | 86 CA | 86 C | 86 O ) 14.891 180.000 165.109 0.737 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) 14.891 90.000 75.109 0.560 0.300 2 ( 86 CB | 86 CA | 86 C | 86 O ) 14.891 60.000 45.109 0.385 0.225 3 ( 86 CB | 86 CA | 86 C | 86 O ) 14.891 45.000 30.109 0.226 0.150 4 ( 87 C | 88 N | 88 CA | 88 C ) -139.593 -180.000 -40.407 0.089 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -139.593 -90.000 49.593 0.348 0.300 2 ( 87 C | 88 N | 88 CA | 88 C ) -139.593 -180.000 -40.407 0.342 0.225 3 ( 87 C | 88 N | 88 CA | 88 C ) -139.593 -108.000 31.593 0.145 0.075 5 ( 87 C | 88 N | 88 CA | 88 CB ) 98.174 180.000 81.826 0.429 0.500 1 ( 87 C | 88 N | 88 CA | 88 CB ) 98.174 60.000 -38.174 0.425 0.300 3 ( 87 C | 88 N | 88 CA | 88 CB ) 98.174 135.000 36.826 0.368 0.200 4 ( 87 CB | 87 CA | 87 C | 88 N ) -87.258 -180.000 -92.742 0.524 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -87.258 -45.000 42.258 0.396 0.200 4 ( 87 CB | 87 CA | 87 C | 87 O ) 92.255 180.000 87.745 0.360 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 92.255 60.000 -32.255 0.252 0.225 3 ( 87 CB | 87 CA | 87 C | 87 O ) 92.255 135.000 42.745 0.298 0.150 4 ( 88 C | 89 N | 89 CA | 89 C ) -73.765 -180.000 -106.235 0.480 0.375 1 ( 88 C | 89 N | 89 CA | 89 C ) -73.765 -108.000 -34.235 0.149 0.075 5 ( 88 C | 89 N | 89 CA | 89 CB ) 164.111 90.000 -74.111 0.740 0.400 2 ( 88 CB | 88 CA | 88 C | 89 N ) -58.631 -180.000 -121.369 0.760 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -58.631 -90.000 -31.369 0.217 0.400 2 ( 88 CB | 88 CA | 88 C | 88 O ) 121.843 180.000 58.157 0.177 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 121.843 90.000 -31.843 0.167 0.300 2 ( 88 CB | 88 CA | 88 C | 88 O ) 121.843 180.000 58.157 0.449 0.225 3 ( 89 C | 90 N | 90 CA | 90 C ) -152.355 -90.000 62.355 0.471 0.300 2 ( 89 C | 90 N | 90 CA | 90 CB ) 84.609 180.000 95.391 0.547 0.500 1 ( 89 C | 90 N | 90 CA | 90 CB ) 84.609 45.000 -39.609 0.386 0.200 4 ( 89 CB | 89 CA | 89 C | 90 N ) -96.771 -180.000 -83.229 0.441 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -96.771 -60.000 36.771 0.404 0.300 3 ( 89 CB | 89 CA | 89 C | 90 N ) -96.771 -135.000 -38.229 0.378 0.200 4 ( 89 CB | 89 CA | 89 C | 89 O ) 83.522 180.000 96.478 0.417 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 83.522 45.000 -38.522 0.285 0.150 4 ( 90 C | 91 N | 91 CA | 91 C ) -80.965 -180.000 -99.035 0.434 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) -80.965 -45.000 35.965 0.271 0.150 4 ( 90 C | 91 N | 91 CA | 91 CB ) 155.737 90.000 -65.737 0.665 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -104.594 -180.000 -75.406 0.374 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -104.594 -60.000 44.594 0.508 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -104.594 -135.000 -30.406 0.305 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 75.995 180.000 104.005 0.466 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 75.995 45.000 -30.995 0.234 0.150 4 ( 90 CB | 90 CA | 90 C | 90 O ) 75.995 108.000 32.005 0.145 0.075 5 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: -1621.63, 79.8658, 87.8658, 46.7363, 418.137, -265.998, -1988.93, 0.692836, 0, $coup, $sani, $vean