%atoms " -83 -LYS -HB2 " and " -83 -LYS -HZ2 " only 1.47 A apart %atoms " -85 -LYS -HB1 " and " -85 -LYS -HZ2 " only 1.46 A apart NBONDS: found 125164 intra-atom interactions NBONDS: found 2 nonbonded violations ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ +++++++++++++++++++++++++++++++ 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= 3.144 NOE= 2.68 (- 0.88/+ 0.40) Delta= -0.064 E(NOE)= 0.206 ========== spectrum 1 restraint 914 ========== set-i-atoms 37 THR HA set-j-atoms 40 ILE HD11 40 ILE HD12 40 ILE HD13 R= 1.779 NOE= 3.39 (- 1.59/+ 0.51) Delta= 0.021 E(NOE)= 0.022 ========== spectrum 1 restraint 1080 ========== set-i-atoms 57 LEU HB1 set-j-atoms 61 GLN HB2 R= 1.794 NOE= 4.58 (- 2.78/+ 0.69) Delta= 0.006 E(NOE)= 0.002 ========== 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= 5.706 NOE= 4.95 (- 3.15/+ 0.74) Delta= -0.016 E(NOE)= 0.013 ========== spectrum 1 restraint 1235 ========== set-i-atoms 27 ARG HB1 set-j-atoms 64 LEU HD11 64 LEU HD12 64 LEU HD13 R= 1.788 NOE= 3.55 (- 1.75/+ 0.53) Delta= 0.012 E(NOE)= 0.007 ========== 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= 1.756 NOE= 3.44 (- 1.64/+ 0.52) Delta= 0.044 E(NOE)= 0.097 ========== spectrum 1 restraint 1264 ========== set-i-atoms 31 MET HE1 31 MET HE2 31 MET HE3 set-j-atoms 64 LEU HN R= 5.057 NOE= 4.37 (- 2.57/+ 0.66) Delta= -0.027 E(NOE)= 0.035 ========== spectrum 1 restraint 1320 ========== set-i-atoms 51 LEU HA set-j-atoms 54 ARG HB1 R= 4.551 NOE= 3.91 (- 2.11/+ 0.59) Delta= -0.051 E(NOE)= 0.131 ========== spectrum 1 restraint 1354 ========== set-i-atoms 31 MET HG1 set-j-atoms 33 ILE HD11 33 ILE HD12 33 ILE HD13 R= 4.611 NOE= 4.00 (- 2.20/+ 0.60) Delta= -0.011 E(NOE)= 0.006 ========== spectrum 1 restraint 1553 ========== set-i-atoms 35 PHE HB1 set-j-atoms 39 LYS HD1 R= 6.872 NOE= 5.97 (- 4.17/+ 0.90) Delta= -0.002 E(NOE)= 0.000 ========== spectrum 1 restraint 1616 ========== set-i-atoms 35 PHE HE1 35 PHE HE2 set-j-atoms 57 LEU HD11 57 LEU HD12 57 LEU HD13 R= 1.796 NOE= 3.69 (- 1.89/+ 0.55) Delta= 0.004 E(NOE)= 0.001 ========== spectrum 1 restraint 1676 ========== set-i-atoms 77 ALA HB1 77 ALA HB2 77 ALA HB3 set-j-atoms 81 TYR HD1 81 TYR HD2 R= 4.937 NOE= 4.29 (- 2.49/+ 0.64) Delta= -0.007 E(NOE)= 0.002 ========== spectrum 1 restraint 1735 ========== set-i-atoms 25 GLU HG1 25 GLU HG2 set-j-atoms 29 LEU HD21 29 LEU HD22 29 LEU HD23 R= 5.113 NOE= 4.38 (- 2.58/+ 0.66) Delta= -0.073 E(NOE)= 0.264 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 ======================================== 23 ARG N 23 ARG CA 23 ARG C 24 ASP N Dihedral= -63.508 Energy= 0.000 C= 1.000 Equil= -42.600 Delta= 0.908 Range= 20.000 Exponent= 2 ======================================== 30 ALA N 30 ALA CA 30 ALA C 31 MET N Dihedral= -48.683 Energy= 0.000 C= 1.000 Equil= -26.300 Delta= 0.083 Range= 22.300 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 ) -164.794 180.000 -15.206 7.043 100.000 0 ( 5 CA | 5 C | 6 N | 6 CA ) 168.305 180.000 11.695 4.166 100.000 0 ( 7 CA | 7 C | 8 N | 8 CA ) 174.087 180.000 5.913 1.065 100.000 0 ( 22 CA | 22 C | 23 N | 23 CA ) -171.115 180.000 -8.885 2.405 100.000 0 ( 23 CA | 23 C | 24 N | 24 CA ) -174.875 180.000 -5.125 0.800 100.000 0 ( 26 CA | 26 C | 27 N | 27 CA ) 173.946 180.000 6.054 1.116 100.000 0 ( 32 CA | 32 C | 33 N | 33 CA ) 174.935 180.000 5.065 0.782 100.000 0 ( 33 CA | 33 C | 34 N | 34 CA ) -172.246 180.000 -7.754 1.831 100.000 0 ( 35 CA | 35 C | 36 N | 36 CA ) -174.012 180.000 -5.988 1.092 100.000 0 ( 44 CA | 44 C | 45 N | 45 CA ) -173.012 180.000 -6.988 1.487 100.000 0 ( 49 CA | 49 C | 50 N | 50 CA ) 173.925 180.000 6.075 1.124 100.000 0 ( 55 CA | 55 C | 56 N | 56 CA ) -174.645 180.000 -5.355 0.874 100.000 0 ( 68 CA | 68 C | 69 N | 69 CA ) 173.270 180.000 6.730 1.380 100.000 0 ( 85 CA | 85 C | 86 N | 86 CA ) -173.888 180.000 -6.112 1.138 100.000 0 (atom-i |atom-j |atom-k |atom-L ) angle equil. delta energy const. period ( 1 C | 2 N | 2 CA | 2 C ) 79.861 180.000 100.139 0.441 0.375 1 ( 1 C | 2 N | 2 CA | 2 C ) 79.861 45.000 -34.861 0.264 0.150 4 ( 1 CB | 1 CA | 1 C | 2 N ) -55.639 -180.000 -124.361 0.782 0.500 1 ( 1 CB | 1 CA | 1 C | 2 N ) -55.639 -90.000 -34.361 0.255 0.400 2 ( 1 CB | 1 CA | 1 C | 1 O ) 126.093 180.000 53.907 0.154 0.375 1 ( 1 CB | 1 CA | 1 C | 1 O ) 126.093 90.000 -36.093 0.208 0.300 2 ( 1 CB | 1 CA | 1 C | 1 O ) 126.093 180.000 53.907 0.439 0.225 3 ( 3 ND1 | 3 CG | 3 CB | 3 CA ) 106.192 180.000 73.808 0.433 0.600 1 ( 2 C | 3 N | 3 CA | 3 C ) -54.521 -180.000 -125.479 0.593 0.375 1 ( 2 C | 3 N | 3 CA | 3 C ) -54.521 -90.000 -35.479 0.202 0.300 2 ( 2 C | 3 N | 3 CA | 3 CB ) -177.903 -90.000 87.903 0.799 0.400 2 ( 2 C | 3 N | 3 CA | 3 CB ) -177.903 -135.000 42.903 0.398 0.200 4 ( 4 ND1 | 4 CG | 4 CB | 4 CA ) -140.695 -180.000 -39.305 0.136 0.600 1 ( 4 CD2 | 4 CG | 4 CB | 4 CA ) 39.216 90.000 50.784 0.960 0.800 2 ( 3 C | 4 N | 4 CA | 4 C ) -57.661 -180.000 -122.339 0.576 0.375 1 ( 3 C | 4 N | 4 CA | 4 C ) -57.661 -90.000 -32.339 0.172 0.300 2 ( 3 C | 4 N | 4 CA | 4 CB ) 177.408 90.000 -87.408 0.798 0.400 2 ( 3 C | 4 N | 4 CA | 4 CB ) 177.408 135.000 -42.408 0.397 0.200 4 ( 3 CB | 3 CA | 3 C | 4 N ) -119.837 -180.000 -60.163 0.251 0.500 1 ( 3 CB | 3 CA | 3 C | 4 N ) -119.837 -60.000 59.837 0.600 0.300 3 ( 3 CB | 3 CA | 3 C | 3 O ) 58.461 180.000 121.539 0.571 0.375 1 ( 3 CB | 3 CA | 3 C | 3 O ) 58.461 90.000 31.539 0.164 0.300 2 ( 5 ND1 | 5 CG | 5 CB | 5 CA ) 111.325 180.000 68.675 0.382 0.600 1 ( 4 C | 5 N | 5 CA | 5 C ) -139.529 -180.000 -40.471 0.090 0.375 1 ( 4 C | 5 N | 5 CA | 5 C ) -139.529 -90.000 49.529 0.347 0.300 2 ( 4 C | 5 N | 5 CA | 5 C ) -139.529 -180.000 -40.471 0.342 0.225 3 ( 4 C | 5 N | 5 CA | 5 C ) -139.529 -108.000 31.529 0.144 0.075 5 ( 4 C | 5 N | 5 CA | 5 CB ) 94.594 180.000 85.406 0.460 0.500 1 ( 4 C | 5 N | 5 CA | 5 CB ) 94.594 60.000 -34.594 0.371 0.300 3 ( 4 C | 5 N | 5 CA | 5 CB ) 94.594 135.000 40.406 0.390 0.200 4 ( 4 CB | 4 CA | 4 C | 5 N ) 98.438 180.000 81.562 0.427 0.500 1 ( 4 CB | 4 CA | 4 C | 5 N ) 98.438 60.000 -38.438 0.428 0.300 3 ( 4 CB | 4 CA | 4 C | 5 N ) 98.438 135.000 36.562 0.366 0.200 4 ( 4 CB | 4 CA | 4 C | 4 O ) -81.319 -180.000 -98.681 0.432 0.375 1 ( 4 CB | 4 CA | 4 C | 4 O ) -81.319 -45.000 36.319 0.273 0.150 4 ( 6 ND1 | 6 CG | 6 CB | 6 CA ) -104.340 -180.000 -75.660 0.451 0.600 1 ( 5 C | 6 N | 6 CA | 6 C ) 48.504 180.000 131.496 0.623 0.375 1 ( 5 C | 6 N | 6 CA | 6 C ) 48.504 90.000 41.496 0.263 0.300 2 ( 5 C | 6 N | 6 CA | 6 CB ) -75.041 -180.000 -104.959 0.629 0.500 1 ( 5 C | 6 N | 6 CA | 6 CB ) -75.041 -45.000 30.041 0.301 0.200 4 ( 5 C | 6 N | 6 CA | 6 CB ) -75.041 -108.000 -32.959 0.196 0.100 5 ( 5 CB | 5 CA | 5 C | 6 N ) 136.709 180.000 43.291 0.136 0.500 1 ( 5 CB | 5 CA | 5 C | 6 N ) 136.709 90.000 -46.709 0.424 0.400 2 ( 5 CB | 5 CA | 5 C | 6 N ) 136.709 180.000 43.291 0.492 0.300 3 ( 5 CB | 5 CA | 5 C | 5 O ) -43.180 -180.000 -136.820 0.648 0.375 1 ( 5 CB | 5 CA | 5 C | 5 O ) -43.180 -90.000 -46.820 0.319 0.300 2 ( 7 ND1 | 7 CG | 7 CB | 7 CA ) -87.515 -180.000 -92.485 0.626 0.600 1 ( 6 C | 7 N | 7 CA | 7 C ) -69.510 -180.000 -110.490 0.506 0.375 1 ( 6 C | 7 N | 7 CA | 7 C ) -69.510 -36.000 33.510 0.148 0.075 5 ( 6 C | 7 N | 7 CA | 7 CB ) 167.327 90.000 -77.327 0.761 0.400 2 ( 6 C | 7 N | 7 CA | 7 CB ) 167.327 135.000 -32.327 0.327 0.200 4 ( 6 CB | 6 CA | 6 C | 7 N ) 152.072 90.000 -62.072 0.625 0.400 2 ( 6 CB | 6 CA | 6 C | 6 O ) -29.954 -180.000 -150.046 0.700 0.375 1 ( 6 CB | 6 CA | 6 C | 6 O ) -29.954 -90.000 -60.046 0.450 0.300 2 ( 6 CB | 6 CA | 6 C | 6 O ) -29.954 -60.000 -30.046 0.226 0.225 3 ( 8 ND1 | 8 CG | 8 CB | 8 CA ) -102.882 -180.000 -77.118 0.466 0.600 1 ( 7 C | 8 N | 8 CA | 8 C ) -141.353 -180.000 -38.647 0.082 0.375 1 ( 7 C | 8 N | 8 CA | 8 C ) -141.353 -90.000 51.353 0.366 0.300 2 ( 7 C | 8 N | 8 CA | 8 C ) -141.353 -180.000 -38.647 0.323 0.225 3 ( 7 C | 8 N | 8 CA | 8 C ) -141.353 -108.000 33.353 0.148 0.075 5 ( 7 C | 8 N | 8 CA | 8 CB ) 96.536 180.000 83.464 0.443 0.500 1 ( 7 C | 8 N | 8 CA | 8 CB ) 96.536 60.000 -36.536 0.401 0.300 3 ( 7 C | 8 N | 8 CA | 8 CB ) 96.536 135.000 38.464 0.380 0.200 4 ( 7 CB | 7 CA | 7 C | 8 N ) -141.511 -180.000 -38.489 0.109 0.500 1 ( 7 CB | 7 CA | 7 C | 8 N ) -141.511 -90.000 51.511 0.490 0.400 2 ( 7 CB | 7 CA | 7 C | 8 N ) -141.511 -180.000 -38.489 0.429 0.300 3 ( 7 CB | 7 CA | 7 C | 8 N ) -141.511 -108.000 33.511 0.198 0.100 5 ( 7 CB | 7 CA | 7 C | 7 O ) 38.954 180.000 141.046 0.667 0.375 1 ( 7 CB | 7 CA | 7 C | 7 O ) 38.954 90.000 51.046 0.363 0.300 2 ( 8 C | 9 N | 9 CA | 9 C ) -62.683 -180.000 -117.317 0.547 0.375 1 ( 8 C | 9 N | 9 CA | 9 CB ) 174.346 90.000 -84.346 0.792 0.400 2 ( 8 C | 9 N | 9 CA | 9 CB ) 174.346 135.000 -39.346 0.385 0.200 4 ( 8 CB | 8 CA | 8 C | 9 N ) -86.674 -180.000 -93.326 0.529 0.500 1 ( 8 CB | 8 CA | 8 C | 9 N ) -86.674 -45.000 41.674 0.395 0.200 4 ( 8 CB | 8 CA | 8 C | 8 O ) 94.243 180.000 85.757 0.347 0.375 1 ( 8 CB | 8 CA | 8 C | 8 O ) 94.243 60.000 -34.243 0.275 0.225 3 ( 8 CB | 8 CA | 8 C | 8 O ) 94.243 135.000 40.757 0.293 0.150 4 ( 10 ND1 | 10 CG | 10 CB | 10 CA ) 94.515 180.000 85.485 0.553 0.600 1 ( 9 C | 10 N | 10 CA | 10 C ) -81.115 -180.000 -98.885 0.433 0.375 1 ( 9 C | 10 N | 10 CA | 10 C ) -81.115 -45.000 36.115 0.272 0.150 4 ( 9 C | 10 N | 10 CA | 10 CB ) 156.958 90.000 -66.958 0.677 0.400 2 ( 9 CB | 9 CA | 9 C | 10 N ) -145.061 -180.000 -34.939 0.090 0.500 1 ( 9 CB | 9 CA | 9 C | 10 N ) -145.061 -90.000 55.061 0.538 0.400 2 ( 9 CB | 9 CA | 9 C | 10 N ) -145.061 -180.000 -34.939 0.377 0.300 3 ( 9 CB | 9 CA | 9 C | 10 N ) -145.061 -180.000 -34.939 0.200 0.100 5 ( 9 CB | 9 CA | 9 C | 9 O ) 36.747 180.000 143.253 0.675 0.375 1 ( 9 CB | 9 CA | 9 C | 9 O ) 36.747 90.000 53.253 0.385 0.300 2 ( 10 C | 11 N | 11 CA | 11 C ) -112.374 -180.000 -67.626 0.232 0.375 1 ( 10 C | 11 N | 11 CA | 11 C ) -112.374 -60.000 52.374 0.432 0.225 3 ( 10 C | 11 N | 11 CA | 11 CB ) 124.775 180.000 55.225 0.215 0.500 1 ( 10 C | 11 N | 11 CA | 11 CB ) 124.775 90.000 -34.775 0.260 0.400 2 ( 10 C | 11 N | 11 CA | 11 CB ) 124.775 180.000 55.225 0.591 0.300 3 ( 10 CB | 10 CA | 10 C | 11 N ) 91.967 180.000 88.033 0.483 0.500 1 ( 10 CB | 10 CA | 10 C | 11 N ) 91.967 60.000 -31.967 0.331 0.300 3 ( 10 CB | 10 CA | 10 C | 11 N ) 91.967 135.000 43.033 0.398 0.200 4 ( 10 CB | 10 CA | 10 C | 10 O ) -88.674 -180.000 -91.326 0.384 0.375 1 ( 10 CB | 10 CA | 10 C | 10 O ) -88.674 -45.000 43.674 0.299 0.150 4 ( 11 C | 12 N | 12 CA | 12 C ) -83.334 -180.000 -96.666 0.419 0.375 1 ( 11 C | 12 N | 12 CA | 12 C ) -83.334 -45.000 38.334 0.284 0.150 4 ( 11 C | 12 N | 12 CA | 12 CB ) 153.483 90.000 -63.483 0.641 0.400 2 ( 11 CB | 11 CA | 11 C | 12 N ) -72.528 -180.000 -107.472 0.650 0.500 1 ( 11 CB | 11 CA | 11 C | 12 N ) -72.528 -108.000 -35.472 0.200 0.100 5 ( 11 CB | 11 CA | 11 C | 11 O ) 106.309 180.000 73.691 0.270 0.375 1 ( 11 CB | 11 CA | 11 C | 11 O ) 106.309 60.000 -46.309 0.395 0.225 3 ( 12 C | 13 N | 13 CA | 13 C ) 68.368 180.000 111.632 0.513 0.375 1 ( 12 C | 13 N | 13 CA | 13 C ) 68.368 36.000 -32.368 0.146 0.075 5 ( 12 C | 13 N | 13 CA | 13 CB ) -54.926 -180.000 -125.074 0.787 0.500 1 ( 12 C | 13 N | 13 CA | 13 CB ) -54.926 -90.000 -35.074 0.264 0.400 2 ( 12 CB | 12 CA | 12 C | 13 N ) 148.454 180.000 31.546 0.074 0.500 1 ( 12 CB | 12 CA | 12 C | 13 N ) 148.454 90.000 -58.454 0.581 0.400 2 ( 12 CB | 12 CA | 12 C | 13 N ) 148.454 180.000 31.546 0.324 0.300 3 ( 12 CB | 12 CA | 12 C | 13 N ) 148.454 180.000 31.546 0.193 0.100 5 ( 12 CB | 12 CA | 12 C | 12 O ) -33.158 -180.000 -146.842 0.689 0.375 1 ( 12 CB | 12 CA | 12 C | 12 O ) -33.158 -90.000 -56.842 0.421 0.300 2 ( 13 CB | 13 CA | 13 C | 14 N ) -104.046 -180.000 -75.954 0.379 0.500 1 ( 13 CB | 13 CA | 13 C | 14 N ) -104.046 -60.000 44.046 0.501 0.300 3 ( 13 CB | 13 CA | 13 C | 14 N ) -104.046 -135.000 -30.954 0.311 0.200 4 ( 13 CB | 13 CA | 13 C | 13 O ) 75.589 180.000 104.411 0.468 0.375 1 ( 13 CB | 13 CA | 13 C | 13 O ) 75.589 45.000 -30.589 0.230 0.150 4 ( 13 CB | 13 CA | 13 C | 13 O ) 75.589 108.000 32.411 0.146 0.075 5 ( 14 C | 15 N | 15 CA | 15 C ) -77.812 -180.000 -102.188 0.454 0.375 1 ( 14 C | 15 N | 15 CA | 15 C ) -77.812 -45.000 32.812 0.249 0.150 4 ( 14 C | 15 N | 15 CA | 15 C ) -77.812 -108.000 -30.188 0.141 0.075 5 ( 14 C | 15 N | 15 CA | 15 CB ) 159.668 90.000 -69.668 0.703 0.400 2 ( 14 CB | 14 CA | 14 C | 15 N ) -157.726 -90.000 67.726 0.685 0.400 2 ( 14 CB | 14 CA | 14 C | 14 O ) 24.022 180.000 155.978 0.718 0.375 1 ( 14 CB | 14 CA | 14 C | 14 O ) 24.022 90.000 65.978 0.501 0.300 2 ( 14 CB | 14 CA | 14 C | 14 O ) 24.022 60.000 35.978 0.294 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -92.319 -180.000 -87.681 0.360 0.375 1 ( 15 C | 16 N | 16 CA | 16 C ) -92.319 -60.000 32.319 0.252 0.225 3 ( 15 C | 16 N | 16 CA | 16 C ) -92.319 -135.000 -42.681 0.298 0.150 4 ( 15 C | 16 N | 16 CA | 16 CB ) 144.774 180.000 35.226 0.092 0.500 1 ( 15 C | 16 N | 16 CA | 16 CB ) 144.774 90.000 -54.774 0.534 0.400 2 ( 15 C | 16 N | 16 CA | 16 CB ) 144.774 180.000 35.226 0.381 0.300 3 ( 15 C | 16 N | 16 CA | 16 CB ) 144.774 180.000 35.226 0.200 0.100 5 ( 15 CB | 15 CA | 15 C | 16 N ) -150.697 -90.000 60.697 0.608 0.400 2 ( 15 CB | 15 CA | 15 C | 15 O ) 31.465 180.000 148.535 0.695 0.375 1 ( 15 CB | 15 CA | 15 C | 15 O ) 31.465 90.000 58.535 0.437 0.300 2 ( 17 CZ | 17 NE | 17 CD | 17 CG ) 142.440 180.000 37.560 0.415 2.000 1 ( 16 C | 17 N | 17 CA | 17 C ) -109.025 -180.000 -70.975 0.253 0.375 1 ( 16 C | 17 N | 17 CA | 17 C ) -109.025 -60.000 49.025 0.414 0.225 3 ( 16 C | 17 N | 17 CA | 17 CB ) 129.022 180.000 50.978 0.185 0.500 1 ( 16 C | 17 N | 17 CA | 17 CB ) 129.022 90.000 -39.022 0.317 0.400 2 ( 16 C | 17 N | 17 CA | 17 CB ) 129.022 180.000 50.978 0.567 0.300 3 ( 16 CB | 16 CA | 16 C | 17 N ) -125.126 -180.000 -54.874 0.212 0.500 1 ( 16 CB | 16 CA | 16 C | 17 N ) -125.126 -90.000 35.126 0.265 0.400 2 ( 16 CB | 16 CA | 16 C | 17 N ) -125.126 -180.000 -54.874 0.589 0.300 3 ( 16 CB | 16 CA | 16 C | 16 O ) 54.954 180.000 125.046 0.590 0.375 1 ( 16 CB | 16 CA | 16 C | 16 O ) 54.954 90.000 35.046 0.198 0.300 2 ( 17 C | 18 N | 18 CA | 18 C ) -161.641 -90.000 71.641 0.540 0.300 2 ( 17 CB | 17 CA | 17 C | 18 N ) -123.543 -180.000 -56.457 0.224 0.500 1 ( 17 CB | 17 CA | 17 C | 18 N ) -123.543 -90.000 33.543 0.244 0.400 2 ( 17 CB | 17 CA | 17 C | 18 N ) -123.543 -180.000 -56.457 0.595 0.300 3 ( 17 CB | 17 CA | 17 C | 17 O ) 57.043 180.000 122.957 0.579 0.375 1 ( 17 CB | 17 CA | 17 C | 17 O ) 57.043 90.000 32.957 0.178 0.300 2 ( 19 OE1 | 19 CD | 19 CG | 19 CB ) -22.447 -90.000 -67.553 1.708 1.000 2 ( 18 C | 19 N | 19 CA | 19 C ) -148.430 -180.000 -31.570 0.055 0.375 1 ( 18 C | 19 N | 19 CA | 19 C ) -148.430 -90.000 58.430 0.436 0.300 2 ( 18 C | 19 N | 19 CA | 19 C ) -148.430 -180.000 -31.570 0.243 0.225 3 ( 18 C | 19 N | 19 CA | 19 C ) -148.430 -180.000 -31.570 0.144 0.075 5 ( 18 C | 19 N | 19 CA | 19 CB ) 89.111 180.000 90.889 0.508 0.500 1 ( 18 C | 19 N | 19 CA | 19 CB ) 89.111 45.000 -44.111 0.400 0.200 4 ( 19 C | 20 N | 20 CA | 20 C ) -159.526 -90.000 69.526 0.527 0.300 2 ( 19 C | 20 N | 20 CA | 20 CB ) 77.489 180.000 102.511 0.608 0.500 1 ( 19 C | 20 N | 20 CA | 20 CB ) 77.489 45.000 -32.489 0.328 0.200 4 ( 19 C | 20 N | 20 CA | 20 CB ) 77.489 108.000 30.511 0.189 0.100 5 ( 19 CB | 19 CA | 19 C | 20 N ) -103.277 -180.000 -76.723 0.385 0.500 1 ( 19 CB | 19 CA | 19 C | 20 N ) -103.277 -60.000 43.277 0.492 0.300 3 ( 19 CB | 19 CA | 19 C | 20 N ) -103.277 -135.000 -31.723 0.320 0.200 4 ( 19 CB | 19 CA | 19 C | 19 O ) 77.277 180.000 102.723 0.458 0.375 1 ( 19 CB | 19 CA | 19 C | 19 O ) 77.277 45.000 -32.277 0.245 0.150 4 ( 19 CB | 19 CA | 19 C | 19 O ) 77.277 108.000 30.723 0.142 0.075 5 ( 20 C | 21 N | 21 CA | 21 C ) -122.338 -180.000 -57.662 0.174 0.375 1 ( 20 C | 21 N | 21 CA | 21 C ) -122.338 -90.000 32.338 0.172 0.300 2 ( 20 C | 21 N | 21 CA | 21 C ) -122.338 -180.000 -57.662 0.448 0.225 3 ( 20 CB | 20 CA | 20 C | 21 N ) -81.896 -180.000 -98.104 0.570 0.500 1 ( 20 CB | 20 CA | 20 C | 21 N ) -81.896 -45.000 36.896 0.369 0.200 4 ( 20 CB | 20 CA | 20 C | 20 O ) 97.403 180.000 82.597 0.327 0.375 1 ( 20 CB | 20 CA | 20 C | 20 O ) 97.403 60.000 -37.403 0.310 0.225 3 ( 20 CB | 20 CA | 20 C | 20 O ) 97.403 135.000 37.597 0.280 0.150 4 ( 21 C | 22 N | 22 CA | 22 C ) -99.217 -180.000 -80.783 0.315 0.375 1 ( 21 C | 22 N | 22 CA | 22 C ) -99.217 -60.000 39.217 0.329 0.225 3 ( 21 C | 22 N | 22 CA | 22 C ) -99.217 -135.000 -35.783 0.270 0.150 4 ( 21 C | 22 N | 22 CA | 22 CB ) 138.514 180.000 41.486 0.125 0.500 1 ( 21 C | 22 N | 22 CA | 22 CB ) 138.514 90.000 -48.514 0.449 0.400 2 ( 21 C | 22 N | 22 CA | 22 CB ) 138.514 180.000 41.486 0.470 0.300 3 ( 21 C | 22 N | 22 CA | 22 CB ) 138.514 108.000 -30.514 0.189 0.100 5 ( 23 CZ | 23 NE | 23 CD | 23 CG ) 126.640 180.000 53.360 0.806 2.000 1 ( 22 C | 23 N | 23 CA | 23 C ) -58.291 -180.000 -121.709 0.572 0.375 1 ( 22 C | 23 N | 23 CA | 23 C ) -58.291 -90.000 -31.709 0.166 0.300 2 ( 22 C | 23 N | 23 CA | 23 CB ) -179.256 -90.000 89.256 0.800 0.400 2 ( 22 C | 23 N | 23 CA | 23 CB ) -179.256 -135.000 44.256 0.400 0.200 4 ( 22 CB | 22 CA | 22 C | 23 N ) -85.805 -180.000 -94.195 0.537 0.500 1 ( 22 CB | 22 CA | 22 C | 23 N ) -85.805 -45.000 40.805 0.391 0.200 4 ( 22 CB | 22 CA | 22 C | 22 O ) 92.383 180.000 87.617 0.359 0.375 1 ( 22 CB | 22 CA | 22 C | 22 O ) 92.383 60.000 -32.383 0.253 0.225 3 ( 22 CB | 22 CA | 22 C | 22 O ) 92.383 135.000 42.617 0.298 0.150 4 ( 23 C | 24 N | 24 CA | 24 C ) -58.831 -180.000 -121.169 0.569 0.375 1 ( 23 C | 24 N | 24 CA | 24 C ) -58.831 -90.000 -31.169 0.161 0.300 2 ( 23 C | 24 N | 24 CA | 24 CB ) 178.586 90.000 -88.586 0.800 0.400 2 ( 23 C | 24 N | 24 CA | 24 CB ) 178.586 135.000 -43.586 0.399 0.200 4 ( 23 CB | 23 CA | 23 C | 24 N ) 59.863 180.000 120.137 0.751 0.500 1 ( 23 CB | 23 CA | 23 C | 24 N ) 59.863 90.000 30.137 0.202 0.400 2 ( 23 CB | 23 CA | 23 C | 23 O ) -120.625 -180.000 -59.375 0.184 0.375 1 ( 23 CB | 23 CA | 23 C | 23 O ) -120.625 -90.000 30.625 0.156 0.300 2 ( 23 CB | 23 CA | 23 C | 23 O ) -120.625 -180.000 -59.375 0.450 0.225 3 ( 25 OE1 | 25 CD | 25 CG | 25 CB ) 47.064 90.000 42.936 0.928 1.000 2 ( 24 C | 25 N | 25 CA | 25 C ) -70.201 -180.000 -109.799 0.502 0.375 1 ( 24 C | 25 N | 25 CA | 25 C ) -70.201 -36.000 34.201 0.149 0.075 5 ( 24 C | 25 N | 25 CA | 25 CB ) 167.468 90.000 -77.468 0.762 0.400 2 ( 24 C | 25 N | 25 CA | 25 CB ) 167.468 135.000 -32.468 0.328 0.200 4 ( 24 CB | 24 CA | 24 C | 25 N ) 85.404 180.000 94.596 0.540 0.500 1 ( 24 CB | 24 CA | 24 C | 25 N ) 85.404 45.000 -40.404 0.390 0.200 4 ( 24 CB | 24 CA | 24 C | 24 O ) -95.044 -180.000 -84.956 0.342 0.375 1 ( 24 CB | 24 CA | 24 C | 24 O ) -95.044 -60.000 35.044 0.284 0.225 3 ( 24 CB | 24 CA | 24 C | 24 O ) -95.044 -135.000 -39.956 0.291 0.150 4 ( 25 C | 26 N | 26 CA | 26 C ) -64.660 -180.000 -115.340 0.535 0.375 1 ( 25 C | 26 N | 26 CA | 26 CB ) 171.615 90.000 -81.615 0.783 0.400 2 ( 25 C | 26 N | 26 CA | 26 CB ) 171.615 135.000 -36.615 0.367 0.200 4 ( 25 CB | 25 CA | 25 C | 26 N ) 87.337 180.000 92.663 0.523 0.500 1 ( 25 CB | 25 CA | 25 C | 26 N ) 87.337 45.000 -42.337 0.397 0.200 4 ( 25 CB | 25 CA | 25 C | 25 O ) -92.846 -180.000 -87.154 0.356 0.375 1 ( 25 CB | 25 CA | 25 C | 25 O ) -92.846 -60.000 32.846 0.258 0.225 3 ( 25 CB | 25 CA | 25 C | 25 O ) -92.846 -135.000 -42.154 0.297 0.150 4 ( 27 CZ | 27 NE | 27 CD | 27 CG ) 114.378 180.000 65.622 1.174 2.000 1 ( 26 C | 27 N | 27 CA | 27 C ) -58.747 -180.000 -121.253 0.570 0.375 1 ( 26 C | 27 N | 27 CA | 27 C ) -58.747 -90.000 -31.253 0.162 0.300 2 ( 26 C | 27 N | 27 CA | 27 CB ) 179.740 90.000 -89.740 0.800 0.400 2 ( 26 C | 27 N | 27 CA | 27 CB ) 179.740 135.000 -44.740 0.400 0.200 4 ( 26 CB | 26 CA | 26 C | 27 N ) 99.095 180.000 80.905 0.421 0.500 1 ( 26 CB | 26 CA | 26 C | 27 N ) 99.095 60.000 -39.095 0.438 0.300 3 ( 26 CB | 26 CA | 26 C | 27 N ) 99.095 135.000 35.905 0.361 0.200 4 ( 26 CB | 26 CA | 26 C | 26 O ) -80.646 -180.000 -99.354 0.436 0.375 1 ( 26 CB | 26 CA | 26 C | 26 O ) -80.646 -45.000 35.646 0.269 0.150 4 ( 27 C | 28 N | 28 CA | 28 C ) -61.962 -180.000 -118.038 0.551 0.375 1 ( 27 C | 28 N | 28 CA | 28 CB ) 174.874 90.000 -84.874 0.794 0.400 2 ( 27 C | 28 N | 28 CA | 28 CB ) 174.874 135.000 -39.874 0.387 0.200 4 ( 27 CB | 27 CA | 27 C | 28 N ) 78.379 180.000 101.621 0.601 0.500 1 ( 27 CB | 27 CA | 27 C | 28 N ) 78.379 45.000 -33.379 0.338 0.200 4 ( 27 CB | 27 CA | 27 C | 27 O ) -102.536 -180.000 -77.464 0.294 0.375 1 ( 27 CB | 27 CA | 27 C | 27 O ) -102.536 -60.000 42.536 0.362 0.225 3 ( 27 CB | 27 CA | 27 C | 27 O ) -102.536 -135.000 -32.464 0.246 0.150 4 ( 28 C | 29 N | 29 CA | 29 C ) -63.863 -180.000 -116.137 0.540 0.375 1 ( 28 C | 29 N | 29 CA | 29 CB ) 171.347 90.000 -81.347 0.782 0.400 2 ( 28 C | 29 N | 29 CA | 29 CB ) 171.347 135.000 -36.347 0.365 0.200 4 ( 28 CB | 28 CA | 28 C | 29 N ) 65.631 180.000 114.369 0.706 0.500 1 ( 28 CB | 28 CA | 28 C | 28 O ) -114.844 -180.000 -65.156 0.217 0.375 1 ( 28 CB | 28 CA | 28 C | 28 O ) -114.844 -60.000 54.844 0.442 0.225 3 ( 29 C | 30 N | 30 CA | 30 C ) -67.439 -180.000 -112.561 0.519 0.375 1 ( 29 C | 30 N | 30 CA | 30 C ) -67.439 -36.000 31.439 0.144 0.075 5 ( 29 C | 30 N | 30 CA | 30 CB ) 169.588 90.000 -79.588 0.774 0.400 2 ( 29 C | 30 N | 30 CA | 30 CB ) 169.588 135.000 -34.588 0.349 0.200 4 ( 29 CB | 29 CA | 29 C | 30 N ) 95.605 180.000 84.395 0.451 0.500 1 ( 29 CB | 29 CA | 29 C | 30 N ) 95.605 60.000 -35.605 0.387 0.300 3 ( 29 CB | 29 CA | 29 C | 30 N ) 95.605 135.000 39.395 0.385 0.200 4 ( 29 CB | 29 CA | 29 C | 29 O ) -85.262 -180.000 -94.738 0.406 0.375 1 ( 29 CB | 29 CA | 29 C | 29 O ) -85.262 -45.000 40.262 0.292 0.150 4 ( 30 C | 31 N | 31 CA | 31 C ) -91.886 -180.000 -88.114 0.363 0.375 1 ( 30 C | 31 N | 31 CA | 31 C ) -91.886 -60.000 31.886 0.247 0.225 3 ( 30 C | 31 N | 31 CA | 31 C ) -91.886 -135.000 -43.114 0.299 0.150 4 ( 30 C | 31 N | 31 CA | 31 CB ) 145.818 180.000 34.182 0.086 0.500 1 ( 30 C | 31 N | 31 CA | 31 CB ) 145.818 90.000 -55.818 0.547 0.400 2 ( 30 C | 31 N | 31 CA | 31 CB ) 145.818 180.000 34.182 0.365 0.300 3 ( 30 C | 31 N | 31 CA | 31 CB ) 145.818 180.000 34.182 0.199 0.100 5 ( 30 CB | 30 CA | 30 C | 31 N ) 74.270 180.000 105.730 0.636 0.500 1 ( 30 CB | 30 CA | 30 C | 31 N ) 74.270 108.000 33.730 0.198 0.100 5 ( 30 CB | 30 CA | 30 C | 30 O ) -105.958 -180.000 -74.042 0.272 0.375 1 ( 30 CB | 30 CA | 30 C | 30 O ) -105.958 -60.000 45.958 0.392 0.225 3 ( 31 C | 32 N | 32 CA | 32 C ) 58.861 180.000 121.139 0.569 0.375 1 ( 31 C | 32 N | 32 CA | 32 C ) 58.861 90.000 31.139 0.160 0.300 2 ( 31 C | 32 N | 32 CA | 32 CB ) -66.289 -180.000 -113.711 0.701 0.500 1 ( 31 C | 32 N | 32 CA | 32 CB ) -66.289 -36.000 30.289 0.188 0.100 5 ( 31 CB | 31 CA | 31 C | 32 N ) 129.946 180.000 50.054 0.179 0.500 1 ( 31 CB | 31 CA | 31 C | 32 N ) 129.946 90.000 -39.946 0.330 0.400 2 ( 31 CB | 31 CA | 31 C | 32 N ) 129.946 180.000 50.054 0.560 0.300 3 ( 31 CB | 31 CA | 31 C | 31 O ) -50.032 -180.000 -129.968 0.616 0.375 1 ( 31 CB | 31 CA | 31 C | 31 O ) -50.032 -90.000 -39.968 0.248 0.300 2 ( 32 C | 33 N | 33 CA | 33 C ) -102.136 -180.000 -77.864 0.296 0.375 1 ( 32 C | 33 N | 33 CA | 33 C ) -102.136 -60.000 42.136 0.359 0.225 3 ( 32 C | 33 N | 33 CA | 33 C ) -102.136 -135.000 -32.864 0.249 0.150 4 ( 32 C | 33 N | 33 CA | 33 CB ) 136.317 180.000 43.683 0.138 0.500 1 ( 32 C | 33 N | 33 CA | 33 CB ) 136.317 90.000 -46.317 0.418 0.400 2 ( 32 C | 33 N | 33 CA | 33 CB ) 136.317 180.000 43.683 0.497 0.300 3 ( 32 CB | 32 CA | 32 C | 33 N ) -162.983 -90.000 72.983 0.731 0.400 2 ( 32 CB | 32 CA | 32 C | 32 O ) 17.778 180.000 162.222 0.732 0.375 1 ( 32 CB | 32 CA | 32 C | 32 O ) 17.778 90.000 72.222 0.544 0.300 2 ( 32 CB | 32 CA | 32 C | 32 O ) 17.778 60.000 42.222 0.359 0.225 3 ( 33 CB | 33 CA | 33 C | 34 N ) -126.149 -180.000 -53.851 0.205 0.500 1 ( 33 CB | 33 CA | 33 C | 34 N ) -126.149 -90.000 36.149 0.278 0.400 2 ( 33 CB | 33 CA | 33 C | 34 N ) -126.149 -180.000 -53.851 0.585 0.300 3 ( 33 CB | 33 CA | 33 C | 33 O ) 53.726 180.000 126.274 0.597 0.375 1 ( 33 CB | 33 CA | 33 C | 33 O ) 53.726 90.000 36.274 0.210 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -146.436 -180.000 -33.564 0.063 0.375 1 ( 34 C | 35 N | 35 CA | 35 C ) -146.436 -90.000 56.436 0.417 0.300 2 ( 34 C | 35 N | 35 CA | 35 C ) -146.436 -180.000 -33.564 0.267 0.225 3 ( 34 C | 35 N | 35 CA | 35 C ) -146.436 -180.000 -33.564 0.148 0.075 5 ( 34 C | 35 N | 35 CA | 35 CB ) 88.457 180.000 91.543 0.513 0.500 1 ( 34 C | 35 N | 35 CA | 35 CB ) 88.457 45.000 -43.457 0.399 0.200 4 ( 34 CB | 34 CA | 34 C | 35 N ) 140.836 180.000 39.164 0.112 0.500 1 ( 34 CB | 34 CA | 34 C | 35 N ) 140.836 90.000 -50.836 0.481 0.400 2 ( 34 CB | 34 CA | 34 C | 35 N ) 140.836 180.000 39.164 0.438 0.300 3 ( 34 CB | 34 CA | 34 C | 35 N ) 140.836 108.000 -32.836 0.196 0.100 5 ( 34 CB | 34 CA | 34 C | 34 O ) -40.749 -180.000 -139.251 0.659 0.375 1 ( 34 CB | 34 CA | 34 C | 34 O ) -40.749 -90.000 -49.251 0.344 0.300 2 ( 35 CB | 35 CA | 35 C | 36 N ) -87.188 -180.000 -92.812 0.525 0.500 1 ( 35 CB | 35 CA | 35 C | 36 N ) -87.188 -45.000 42.188 0.396 0.200 4 ( 35 CB | 35 CA | 35 C | 35 O ) 92.897 180.000 87.103 0.356 0.375 1 ( 35 CB | 35 CA | 35 C | 35 O ) 92.897 60.000 -32.897 0.259 0.225 3 ( 35 CB | 35 CA | 35 C | 35 O ) 92.897 135.000 42.103 0.297 0.150 4 ( 36 C | 37 N | 37 CA | 37 C ) -65.688 -180.000 -114.312 0.529 0.375 1 ( 36 C | 37 N | 37 CA | 37 CB ) 173.015 90.000 -83.015 0.788 0.400 2 ( 36 C | 37 N | 37 CA | 37 CB ) 173.015 135.000 -38.015 0.377 0.200 4 ( 36 CB | 36 CA | 36 C | 37 N ) -104.048 -180.000 -75.952 0.379 0.500 1 ( 36 CB | 36 CA | 36 C | 37 N ) -104.048 -60.000 44.048 0.501 0.300 3 ( 36 CB | 36 CA | 36 C | 37 N ) -104.048 -135.000 -30.952 0.311 0.200 4 ( 36 CB | 36 CA | 36 C | 36 O ) 73.815 180.000 106.185 0.480 0.375 1 ( 36 CB | 36 CA | 36 C | 36 O ) 73.815 108.000 34.185 0.149 0.075 5 ( 37 C | 38 N | 38 CA | 38 C ) -54.753 -180.000 -125.247 0.591 0.375 1 ( 37 C | 38 N | 38 CA | 38 C ) -54.753 -90.000 -35.247 0.200 0.300 2 ( 37 C | 38 N | 38 CA | 38 CB ) -177.283 -90.000 87.283 0.798 0.400 2 ( 37 C | 38 N | 38 CA | 38 CB ) -177.283 -135.000 42.283 0.396 0.200 4 ( 37 CB | 37 CA | 37 C | 38 N ) 82.438 180.000 97.562 0.566 0.500 1 ( 37 CB | 37 CA | 37 C | 38 N ) 82.438 45.000 -37.438 0.373 0.200 4 ( 37 CB | 37 CA | 37 C | 37 O ) -97.213 -180.000 -82.787 0.328 0.375 1 ( 37 CB | 37 CA | 37 C | 37 O ) -97.213 -60.000 37.213 0.308 0.225 3 ( 37 CB | 37 CA | 37 C | 37 O ) -97.213 -135.000 -37.787 0.281 0.150 4 ( 38 C | 39 N | 39 CA | 39 C ) -64.730 -180.000 -115.270 0.535 0.375 1 ( 38 C | 39 N | 39 CA | 39 CB ) 172.365 90.000 -82.365 0.786 0.400 2 ( 38 C | 39 N | 39 CA | 39 CB ) 172.365 135.000 -37.365 0.372 0.200 4 ( 38 CB | 38 CA | 38 C | 39 N ) 78.943 180.000 101.057 0.596 0.500 1 ( 38 CB | 38 CA | 38 C | 39 N ) 78.943 45.000 -33.943 0.343 0.200 4 ( 38 CB | 38 CA | 38 C | 38 O ) -101.711 -180.000 -78.289 0.299 0.375 1 ( 38 CB | 38 CA | 38 C | 38 O ) -101.711 -60.000 41.711 0.354 0.225 3 ( 38 CB | 38 CA | 38 C | 38 O ) -101.711 -135.000 -33.289 0.253 0.150 4 ( 39 C | 40 N | 40 CA | 40 C ) -55.817 -180.000 -124.183 0.586 0.375 1 ( 39 C | 40 N | 40 CA | 40 C ) -55.817 -90.000 -34.183 0.189 0.300 2 ( 39 C | 40 N | 40 CA | 40 CB ) -176.948 -90.000 86.948 0.798 0.400 2 ( 39 C | 40 N | 40 CA | 40 CB ) -176.948 -135.000 41.948 0.395 0.200 4 ( 39 CB | 39 CA | 39 C | 40 N ) 86.342 180.000 93.658 0.532 0.500 1 ( 39 CB | 39 CA | 39 C | 40 N ) 86.342 45.000 -41.342 0.394 0.200 4 ( 39 CB | 39 CA | 39 C | 39 O ) -94.854 -180.000 -85.146 0.343 0.375 1 ( 39 CB | 39 CA | 39 C | 39 O ) -94.854 -60.000 34.854 0.282 0.225 3 ( 39 CB | 39 CA | 39 C | 39 O ) -94.854 -135.000 -40.146 0.291 0.150 4 ( 40 C | 41 N | 41 CA | 41 C ) -74.679 -180.000 -105.321 0.474 0.375 1 ( 40 C | 41 N | 41 CA | 41 C ) -74.679 -108.000 -33.321 0.148 0.075 5 ( 40 C | 41 N | 41 CA | 41 CB ) 163.474 90.000 -73.474 0.735 0.400 2 ( 40 CB | 40 CA | 40 C | 41 N ) 81.486 180.000 98.514 0.574 0.500 1 ( 40 CB | 40 CA | 40 C | 41 N ) 81.486 45.000 -36.486 0.366 0.200 4 ( 40 CB | 40 CA | 40 C | 40 O ) -98.380 -180.000 -81.620 0.320 0.375 1 ( 40 CB | 40 CA | 40 C | 40 O ) -98.380 -60.000 38.380 0.321 0.225 3 ( 40 CB | 40 CA | 40 C | 40 O ) -98.380 -135.000 -36.620 0.275 0.150 4 ( 41 C | 42 N | 42 CA | 42 C ) -73.633 -180.000 -106.367 0.481 0.375 1 ( 41 C | 42 N | 42 CA | 42 C ) -73.633 -108.000 -34.367 0.149 0.075 5 ( 41 C | 42 N | 42 CA | 42 CB ) 163.774 90.000 -73.774 0.738 0.400 2 ( 41 CB | 41 CA | 41 C | 42 N ) 86.209 180.000 93.791 0.533 0.500 1 ( 41 CB | 41 CA | 41 C | 42 N ) 86.209 45.000 -41.209 0.393 0.200 4 ( 41 CB | 41 CA | 41 C | 41 O ) -93.839 -180.000 -86.161 0.350 0.375 1 ( 41 CB | 41 CA | 41 C | 41 O ) -93.839 -60.000 33.839 0.270 0.225 3 ( 41 CB | 41 CA | 41 C | 41 O ) -93.839 -135.000 -41.161 0.295 0.150 4 ( 42 C | 43 N | 43 CA | 43 C ) -66.850 -180.000 -113.150 0.522 0.375 1 ( 42 C | 43 N | 43 CA | 43 C ) -66.850 -36.000 30.850 0.143 0.075 5 ( 42 C | 43 N | 43 CA | 43 CB ) 170.645 90.000 -80.645 0.779 0.400 2 ( 42 C | 43 N | 43 CA | 43 CB ) 170.645 135.000 -35.645 0.359 0.200 4 ( 42 CB | 42 CA | 42 C | 43 N ) 82.530 180.000 97.470 0.565 0.500 1 ( 42 CB | 42 CA | 42 C | 43 N ) 82.530 45.000 -37.530 0.373 0.200 4 ( 42 CB | 42 CA | 42 C | 42 O ) -97.184 -180.000 -82.816 0.328 0.375 1 ( 42 CB | 42 CA | 42 C | 42 O ) -97.184 -60.000 37.184 0.308 0.225 3 ( 42 CB | 42 CA | 42 C | 42 O ) -97.184 -135.000 -37.816 0.282 0.150 4 ( 43 CB | 43 CA | 43 C | 44 N ) -100.592 -180.000 -79.408 0.408 0.500 1 ( 43 CB | 43 CA | 43 C | 44 N ) -100.592 -60.000 40.592 0.458 0.300 3 ( 43 CB | 43 CA | 43 C | 44 N ) -100.592 -135.000 -34.408 0.348 0.200 4 ( 43 CB | 43 CA | 43 C | 43 O ) 79.854 180.000 100.146 0.441 0.375 1 ( 43 CB | 43 CA | 43 C | 43 O ) 79.854 45.000 -34.854 0.264 0.150 4 ( 44 C | 45 N | 45 CA | 45 C ) -55.535 -180.000 -124.465 0.587 0.375 1 ( 44 C | 45 N | 45 CA | 45 C ) -55.535 -90.000 -34.465 0.192 0.300 2 ( 44 C | 45 N | 45 CA | 45 CB ) -179.729 -90.000 89.729 0.800 0.400 2 ( 44 C | 45 N | 45 CA | 45 CB ) -179.729 -135.000 44.729 0.400 0.200 4 ( 44 CB | 44 CA | 44 C | 45 N ) -68.736 -180.000 -111.264 0.681 0.500 1 ( 44 CB | 44 CA | 44 C | 45 N ) -68.736 -36.000 32.736 0.196 0.100 5 ( 44 CB | 44 CA | 44 C | 44 O ) 110.217 180.000 69.783 0.245 0.375 1 ( 44 CB | 44 CA | 44 C | 44 O ) 110.217 60.000 -50.217 0.421 0.225 3 ( 45 C | 46 N | 46 CA | 46 C ) -62.996 -180.000 -117.004 0.545 0.375 1 ( 45 C | 46 N | 46 CA | 46 CB ) 174.055 90.000 -84.055 0.791 0.400 2 ( 45 C | 46 N | 46 CA | 46 CB ) 174.055 135.000 -39.055 0.383 0.200 4 ( 45 CB | 45 CA | 45 C | 46 N ) 81.936 180.000 98.064 0.570 0.500 1 ( 45 CB | 45 CA | 45 C | 46 N ) 81.936 45.000 -36.936 0.369 0.200 4 ( 45 CB | 45 CA | 45 C | 45 O ) -98.819 -180.000 -81.181 0.318 0.375 1 ( 45 CB | 45 CA | 45 C | 45 O ) -98.819 -60.000 38.819 0.325 0.225 3 ( 45 CB | 45 CA | 45 C | 45 O ) -98.819 -135.000 -36.181 0.272 0.150 4 ( 46 C | 47 N | 47 CA | 47 C ) -58.937 -180.000 -121.063 0.568 0.375 1 ( 46 C | 47 N | 47 CA | 47 C ) -58.937 -90.000 -31.063 0.160 0.300 2 ( 46 C | 47 N | 47 CA | 47 CB ) 178.793 90.000 -88.793 0.800 0.400 2 ( 46 C | 47 N | 47 CA | 47 CB ) 178.793 135.000 -43.793 0.399 0.200 4 ( 46 CB | 46 CA | 46 C | 47 N ) 67.396 180.000 112.604 0.692 0.500 1 ( 46 CB | 46 CA | 46 C | 47 N ) 67.396 36.000 -31.396 0.192 0.100 5 ( 46 CB | 46 CA | 46 C | 46 O ) -112.606 -180.000 -67.394 0.231 0.375 1 ( 46 CB | 46 CA | 46 C | 46 O ) -112.606 -60.000 52.606 0.433 0.225 3 ( 47 C | 48 N | 48 CA | 48 C ) -61.367 -180.000 -118.633 0.555 0.375 1 ( 47 C | 48 N | 48 CA | 48 CB ) 176.218 90.000 -86.218 0.797 0.400 2 ( 47 C | 48 N | 48 CA | 48 CB ) 176.218 135.000 -41.218 0.393 0.200 4 ( 47 CB | 47 CA | 47 C | 48 N ) 84.934 180.000 95.066 0.544 0.500 1 ( 47 CB | 47 CA | 47 C | 48 N ) 84.934 45.000 -39.934 0.388 0.200 4 ( 47 CB | 47 CA | 47 C | 47 O ) -95.291 -180.000 -84.709 0.340 0.375 1 ( 47 CB | 47 CA | 47 C | 47 O ) -95.291 -60.000 35.291 0.287 0.225 3 ( 47 CB | 47 CA | 47 C | 47 O ) -95.291 -135.000 -39.709 0.290 0.150 4 ( 48 C | 49 N | 49 CA | 49 C ) -61.597 -180.000 -118.403 0.553 0.375 1 ( 48 C | 49 N | 49 CA | 49 CB ) 175.599 90.000 -85.599 0.795 0.400 2 ( 48 C | 49 N | 49 CA | 49 CB ) 175.599 135.000 -40.599 0.391 0.200 4 ( 48 CB | 48 CA | 48 C | 49 N ) 71.698 180.000 108.302 0.657 0.500 1 ( 48 CB | 48 CA | 48 C | 49 N ) 71.698 36.000 -35.698 0.200 0.100 5 ( 48 CB | 48 CA | 48 C | 48 O ) -108.890 -180.000 -71.110 0.254 0.375 1 ( 48 CB | 48 CA | 48 C | 48 O ) -108.890 -60.000 48.890 0.413 0.225 3 ( 49 C | 50 N | 50 CA | 50 C ) -55.191 -180.000 -124.809 0.589 0.375 1 ( 49 C | 50 N | 50 CA | 50 C ) -55.191 -90.000 -34.809 0.196 0.300 2 ( 49 C | 50 N | 50 CA | 50 CB ) -176.953 -90.000 86.953 0.798 0.400 2 ( 49 C | 50 N | 50 CA | 50 CB ) -176.953 -135.000 41.953 0.395 0.200 4 ( 49 CB | 49 CA | 49 C | 50 N ) 79.509 180.000 100.491 0.591 0.500 1 ( 49 CB | 49 CA | 49 C | 50 N ) 79.509 45.000 -34.509 0.349 0.200 4 ( 49 CB | 49 CA | 49 C | 49 O ) -100.430 -180.000 -79.570 0.307 0.375 1 ( 49 CB | 49 CA | 49 C | 49 O ) -100.430 -60.000 40.430 0.342 0.225 3 ( 49 CB | 49 CA | 49 C | 49 O ) -100.430 -135.000 -34.570 0.262 0.150 4 ( 50 C | 51 N | 51 CA | 51 C ) -50.661 -180.000 -129.339 0.613 0.375 1 ( 50 C | 51 N | 51 CA | 51 C ) -50.661 -90.000 -39.339 0.241 0.300 2 ( 50 C | 51 N | 51 CA | 51 CB ) -172.727 -90.000 82.727 0.787 0.400 2 ( 50 C | 51 N | 51 CA | 51 CB ) -172.727 -135.000 37.727 0.375 0.200 4 ( 50 CB | 50 CA | 50 C | 51 N ) 71.304 180.000 108.696 0.660 0.500 1 ( 50 CB | 50 CA | 50 C | 51 N ) 71.304 36.000 -35.304 0.200 0.100 5 ( 50 CB | 50 CA | 50 C | 50 O ) -109.812 -180.000 -70.188 0.248 0.375 1 ( 50 CB | 50 CA | 50 C | 50 O ) -109.812 -60.000 49.812 0.419 0.225 3 ( 51 C | 52 N | 52 CA | 52 C ) -65.954 -180.000 -114.046 0.528 0.375 1 ( 51 C | 52 N | 52 CA | 52 CB ) 171.497 90.000 -81.497 0.783 0.400 2 ( 51 C | 52 N | 52 CA | 52 CB ) 171.497 135.000 -36.497 0.366 0.200 4 ( 51 CB | 51 CA | 51 C | 52 N ) 71.765 180.000 108.235 0.656 0.500 1 ( 51 CB | 51 CA | 51 C | 52 N ) 71.765 36.000 -35.765 0.200 0.100 5 ( 51 CB | 51 CA | 51 C | 51 O ) -109.807 -180.000 -70.193 0.248 0.375 1 ( 51 CB | 51 CA | 51 C | 51 O ) -109.807 -60.000 49.807 0.419 0.225 3 ( 52 C | 53 N | 53 CA | 53 C ) -82.542 -180.000 -97.458 0.424 0.375 1 ( 52 C | 53 N | 53 CA | 53 C ) -82.542 -45.000 37.542 0.280 0.150 4 ( 52 C | 53 N | 53 CA | 53 CB ) 154.450 90.000 -64.450 0.651 0.400 2 ( 52 CB | 52 CA | 52 C | 53 N ) 91.241 180.000 88.759 0.489 0.500 1 ( 52 CB | 52 CA | 52 C | 53 N ) 91.241 60.000 -31.241 0.319 0.300 3 ( 52 CB | 52 CA | 52 C | 53 N ) 91.241 135.000 43.759 0.399 0.200 4 ( 52 CB | 52 CA | 52 C | 52 O ) -88.255 -180.000 -91.745 0.386 0.375 1 ( 52 CB | 52 CA | 52 C | 52 O ) -88.255 -45.000 43.255 0.299 0.150 4 ( 53 C | 54 N | 54 CA | 54 C ) -90.342 -180.000 -89.658 0.373 0.375 1 ( 53 C | 54 N | 54 CA | 54 C ) -90.342 -60.000 30.342 0.229 0.225 3 ( 53 C | 54 N | 54 CA | 54 C ) -90.342 -135.000 -44.658 0.300 0.150 4 ( 53 C | 54 N | 54 CA | 54 CB ) 146.961 180.000 33.039 0.081 0.500 1 ( 53 C | 54 N | 54 CA | 54 CB ) 146.961 90.000 -56.961 0.562 0.400 2 ( 53 C | 54 N | 54 CA | 54 CB ) 146.961 180.000 33.039 0.348 0.300 3 ( 53 C | 54 N | 54 CA | 54 CB ) 146.961 180.000 33.039 0.197 0.100 5 ( 53 CB | 53 CA | 53 C | 54 N ) 100.942 180.000 79.058 0.405 0.500 1 ( 53 CB | 53 CA | 53 C | 54 N ) 100.942 60.000 -40.942 0.463 0.300 3 ( 53 CB | 53 CA | 53 C | 54 N ) 100.942 135.000 34.058 0.344 0.200 4 ( 53 CB | 53 CA | 53 C | 53 O ) -78.951 -180.000 -101.049 0.447 0.375 1 ( 53 CB | 53 CA | 53 C | 53 O ) -78.951 -45.000 33.951 0.258 0.150 4 ( 54 C | 55 N | 55 CA | 55 C ) -106.008 -180.000 -73.992 0.272 0.375 1 ( 54 C | 55 N | 55 CA | 55 C ) -106.008 -60.000 46.008 0.392 0.225 3 ( 54 C | 55 N | 55 CA | 55 CB ) 130.009 180.000 49.991 0.179 0.500 1 ( 54 C | 55 N | 55 CA | 55 CB ) 130.009 90.000 -40.009 0.331 0.400 2 ( 54 C | 55 N | 55 CA | 55 CB ) 130.009 180.000 49.991 0.560 0.300 3 ( 54 CB | 54 CA | 54 C | 55 N ) 105.318 180.000 74.682 0.368 0.500 1 ( 54 CB | 54 CA | 54 C | 55 N ) 105.318 60.000 -45.318 0.516 0.300 3 ( 54 CB | 54 CA | 54 C | 54 O ) -74.146 -180.000 -105.854 0.477 0.375 1 ( 54 CB | 54 CA | 54 C | 54 O ) -74.146 -108.000 -33.854 0.149 0.075 5 ( 55 CB | 55 CA | 55 C | 56 N ) -91.370 -180.000 -88.630 0.488 0.500 1 ( 55 CB | 55 CA | 55 C | 56 N ) -91.370 -60.000 31.370 0.322 0.300 3 ( 55 CB | 55 CA | 55 C | 56 N ) -91.370 -135.000 -43.630 0.399 0.200 4 ( 55 CB | 55 CA | 55 C | 55 O ) 88.010 180.000 91.990 0.388 0.375 1 ( 55 CB | 55 CA | 55 C | 55 O ) 88.010 45.000 -43.010 0.299 0.150 4 ( 56 C | 57 N | 57 CA | 57 C ) -82.078 -180.000 -97.922 0.427 0.375 1 ( 56 C | 57 N | 57 CA | 57 C ) -82.078 -45.000 37.078 0.278 0.150 4 ( 56 C | 57 N | 57 CA | 57 CB ) 156.204 90.000 -66.204 0.670 0.400 2 ( 56 CB | 56 CA | 56 C | 57 N ) 157.919 90.000 -67.919 0.687 0.400 2 ( 56 CB | 56 CA | 56 C | 56 O ) -23.925 -180.000 -156.075 0.718 0.375 1 ( 56 CB | 56 CA | 56 C | 56 O ) -23.925 -90.000 -66.075 0.501 0.300 2 ( 56 CB | 56 CA | 56 C | 56 O ) -23.925 -60.000 -36.075 0.295 0.225 3 ( 57 C | 58 N | 58 CA | 58 C ) -85.437 -180.000 -94.563 0.405 0.375 1 ( 57 C | 58 N | 58 CA | 58 C ) -85.437 -45.000 40.437 0.292 0.150 4 ( 57 C | 58 N | 58 CA | 58 CB ) 153.237 90.000 -63.237 0.638 0.400 2 ( 57 CB | 57 CA | 57 C | 58 N ) -92.148 -180.000 -87.852 0.481 0.500 1 ( 57 CB | 57 CA | 57 C | 58 N ) -92.148 -60.000 32.148 0.334 0.300 3 ( 57 CB | 57 CA | 57 C | 58 N ) -92.148 -135.000 -42.852 0.398 0.200 4 ( 57 CB | 57 CA | 57 C | 57 O ) 87.363 180.000 92.637 0.392 0.375 1 ( 57 CB | 57 CA | 57 C | 57 O ) 87.363 45.000 -42.363 0.297 0.150 4 ( 58 C | 59 N | 59 CA | 59 C ) -47.574 -180.000 -132.426 0.628 0.375 1 ( 58 C | 59 N | 59 CA | 59 C ) -47.574 -90.000 -42.426 0.273 0.300 2 ( 58 C | 59 N | 59 CA | 59 CB ) -170.438 -90.000 80.438 0.778 0.400 2 ( 58 C | 59 N | 59 CA | 59 CB ) -170.438 -135.000 35.438 0.357 0.200 4 ( 58 CB | 58 CA | 58 C | 59 N ) -72.137 -180.000 -107.863 0.653 0.500 1 ( 58 CB | 58 CA | 58 C | 59 N ) -72.137 -108.000 -35.863 0.200 0.100 5 ( 58 CB | 58 CA | 58 C | 58 O ) 106.538 180.000 73.462 0.268 0.375 1 ( 58 CB | 58 CA | 58 C | 58 O ) 106.538 60.000 -46.538 0.396 0.225 3 ( 59 C | 60 N | 60 CA | 60 C ) -67.746 -180.000 -112.254 0.517 0.375 1 ( 59 C | 60 N | 60 CA | 60 C ) -67.746 -36.000 31.746 0.145 0.075 5 ( 59 C | 60 N | 60 CA | 60 CB ) 170.488 90.000 -80.488 0.778 0.400 2 ( 59 C | 60 N | 60 CA | 60 CB ) 170.488 135.000 -35.488 0.357 0.200 4 ( 59 CB | 59 CA | 59 C | 60 N ) 86.332 180.000 93.668 0.532 0.500 1 ( 59 CB | 59 CA | 59 C | 60 N ) 86.332 45.000 -41.332 0.393 0.200 4 ( 59 CB | 59 CA | 59 C | 59 O ) -94.153 -180.000 -85.847 0.348 0.375 1 ( 59 CB | 59 CA | 59 C | 59 O ) -94.153 -60.000 34.153 0.274 0.225 3 ( 59 CB | 59 CA | 59 C | 59 O ) -94.153 -135.000 -40.847 0.294 0.150 4 ( 60 C | 61 N | 61 CA | 61 C ) -66.362 -180.000 -113.638 0.525 0.375 1 ( 60 C | 61 N | 61 CA | 61 C ) -66.362 -36.000 30.362 0.141 0.075 5 ( 60 C | 61 N | 61 CA | 61 CB ) 170.379 90.000 -80.379 0.778 0.400 2 ( 60 C | 61 N | 61 CA | 61 CB ) 170.379 135.000 -35.379 0.357 0.200 4 ( 60 CB | 60 CA | 60 C | 61 N ) 81.777 180.000 98.223 0.572 0.500 1 ( 60 CB | 60 CA | 60 C | 61 N ) 81.777 45.000 -36.777 0.368 0.200 4 ( 60 CB | 60 CA | 60 C | 60 O ) -98.696 -180.000 -81.304 0.318 0.375 1 ( 60 CB | 60 CA | 60 C | 60 O ) -98.696 -60.000 38.696 0.324 0.225 3 ( 60 CB | 60 CA | 60 C | 60 O ) -98.696 -135.000 -36.304 0.273 0.150 4 ( 61 C | 62 N | 62 CA | 62 C ) -60.150 -180.000 -119.850 0.562 0.375 1 ( 61 C | 62 N | 62 CA | 62 CB ) 177.274 90.000 -87.274 0.798 0.400 2 ( 61 C | 62 N | 62 CA | 62 CB ) 177.274 135.000 -42.274 0.396 0.200 4 ( 61 CB | 61 CA | 61 C | 62 N ) 79.408 180.000 100.592 0.592 0.500 1 ( 61 CB | 61 CA | 61 C | 62 N ) 79.408 45.000 -34.408 0.348 0.200 4 ( 61 CB | 61 CA | 61 C | 61 O ) -101.226 -180.000 -78.774 0.302 0.375 1 ( 61 CB | 61 CA | 61 C | 61 O ) -101.226 -60.000 41.226 0.350 0.225 3 ( 61 CB | 61 CA | 61 C | 61 O ) -101.226 -135.000 -33.774 0.256 0.150 4 ( 62 C | 63 N | 63 CA | 63 C ) -59.069 -180.000 -120.931 0.568 0.375 1 ( 62 C | 63 N | 63 CA | 63 C ) -59.069 -90.000 -30.931 0.159 0.300 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.067 90.000 -88.067 0.799 0.400 2 ( 62 C | 63 N | 63 CA | 63 CB ) 178.067 135.000 -43.067 0.398 0.200 4 ( 62 CB | 62 CA | 62 C | 63 N ) 83.881 180.000 96.119 0.553 0.500 1 ( 62 CB | 62 CA | 62 C | 63 N ) 83.881 45.000 -38.881 0.382 0.200 4 ( 62 CB | 62 CA | 62 C | 62 O ) -95.884 -180.000 -84.116 0.337 0.375 1 ( 62 CB | 62 CA | 62 C | 62 O ) -95.884 -60.000 35.884 0.293 0.225 3 ( 62 CB | 62 CA | 62 C | 62 O ) -95.884 -135.000 -39.116 0.288 0.150 4 ( 63 C | 64 N | 64 CA | 64 C ) -61.477 -180.000 -118.523 0.554 0.375 1 ( 63 C | 64 N | 64 CA | 64 CB ) 177.069 90.000 -87.069 0.798 0.400 2 ( 63 C | 64 N | 64 CA | 64 CB ) 177.069 135.000 -42.069 0.396 0.200 4 ( 63 CB | 63 CA | 63 C | 64 N ) 81.866 180.000 98.134 0.571 0.500 1 ( 63 CB | 63 CA | 63 C | 64 N ) 81.866 45.000 -36.866 0.369 0.200 4 ( 63 CB | 63 CA | 63 C | 63 O ) -98.284 -180.000 -81.716 0.321 0.375 1 ( 63 CB | 63 CA | 63 C | 63 O ) -98.284 -60.000 38.284 0.320 0.225 3 ( 63 CB | 63 CA | 63 C | 63 O ) -98.284 -135.000 -36.716 0.276 0.150 4 ( 64 C | 65 N | 65 CA | 65 C ) -53.558 -180.000 -126.442 0.598 0.375 1 ( 64 C | 65 N | 65 CA | 65 C ) -53.558 -90.000 -36.442 0.212 0.300 2 ( 64 C | 65 N | 65 CA | 65 CB ) -175.794 -90.000 85.794 0.796 0.400 2 ( 64 C | 65 N | 65 CA | 65 CB ) -175.794 -135.000 40.794 0.391 0.200 4 ( 64 CB | 64 CA | 64 C | 65 N ) 69.031 180.000 110.969 0.679 0.500 1 ( 64 CB | 64 CA | 64 C | 65 N ) 69.031 36.000 -33.031 0.197 0.100 5 ( 64 CB | 64 CA | 64 C | 64 O ) -111.196 -180.000 -68.804 0.239 0.375 1 ( 64 CB | 64 CA | 64 C | 64 O ) -111.196 -60.000 51.196 0.427 0.225 3 ( 66 CZ | 66 NE | 66 CD | 66 CG ) 137.655 180.000 42.345 0.522 2.000 1 ( 65 C | 66 N | 66 CA | 66 C ) -62.072 -180.000 -117.928 0.551 0.375 1 ( 65 C | 66 N | 66 CA | 66 CB ) 173.734 90.000 -83.734 0.790 0.400 2 ( 65 C | 66 N | 66 CA | 66 CB ) 173.734 135.000 -38.734 0.381 0.200 4 ( 65 CB | 65 CA | 65 C | 66 N ) 83.178 180.000 96.822 0.559 0.500 1 ( 65 CB | 65 CA | 65 C | 66 N ) 83.178 45.000 -38.178 0.378 0.200 4 ( 65 CB | 65 CA | 65 C | 65 O ) -97.291 -180.000 -82.709 0.327 0.375 1 ( 65 CB | 65 CA | 65 C | 65 O ) -97.291 -60.000 37.291 0.309 0.225 3 ( 65 CB | 65 CA | 65 C | 65 O ) -97.291 -135.000 -37.709 0.281 0.150 4 ( 66 C | 67 N | 67 CA | 67 C ) -73.774 -180.000 -106.226 0.480 0.375 1 ( 66 C | 67 N | 67 CA | 67 C ) -73.774 -108.000 -34.226 0.149 0.075 5 ( 66 C | 67 N | 67 CA | 67 CB ) 163.090 90.000 -73.090 0.732 0.400 2 ( 66 CB | 66 CA | 66 C | 67 N ) 88.470 180.000 91.530 0.513 0.500 1 ( 66 CB | 66 CA | 66 C | 67 N ) 88.470 45.000 -43.470 0.399 0.200 4 ( 66 CB | 66 CA | 66 C | 66 O ) -91.968 -180.000 -88.032 0.362 0.375 1 ( 66 CB | 66 CA | 66 C | 66 O ) -91.968 -60.000 31.968 0.248 0.225 3 ( 66 CB | 66 CA | 66 C | 66 O ) -91.968 -135.000 -43.032 0.299 0.150 4 ( 67 C | 68 N | 68 CA | 68 C ) -57.955 -180.000 -122.045 0.574 0.375 1 ( 67 C | 68 N | 68 CA | 68 C ) -57.955 -90.000 -32.045 0.169 0.300 2 ( 67 C | 68 N | 68 CA | 68 CB ) 179.640 90.000 -89.640 0.800 0.400 2 ( 67 C | 68 N | 68 CA | 68 CB ) 179.640 135.000 -44.640 0.400 0.200 4 ( 67 CB | 67 CA | 67 C | 68 N ) 83.026 180.000 96.974 0.561 0.500 1 ( 67 CB | 67 CA | 67 C | 68 N ) 83.026 45.000 -38.026 0.377 0.200 4 ( 67 CB | 67 CA | 67 C | 67 O ) -97.725 -180.000 -82.275 0.325 0.375 1 ( 67 CB | 67 CA | 67 C | 67 O ) -97.725 -60.000 37.725 0.314 0.225 3 ( 67 CB | 67 CA | 67 C | 67 O ) -97.725 -135.000 -37.275 0.279 0.150 4 ( 69 CZ | 69 NE | 69 CD | 69 CG ) -131.030 -180.000 -48.970 0.687 2.000 1 ( 68 C | 69 N | 69 CA | 69 C ) -53.925 -180.000 -126.075 0.596 0.375 1 ( 68 C | 69 N | 69 CA | 69 C ) -53.925 -90.000 -36.075 0.208 0.300 2 ( 68 C | 69 N | 69 CA | 69 CB ) -175.312 -90.000 85.312 0.795 0.400 2 ( 68 C | 69 N | 69 CA | 69 CB ) -175.312 -135.000 40.312 0.389 0.200 4 ( 68 CB | 68 CA | 68 C | 69 N ) 82.721 180.000 97.279 0.563 0.500 1 ( 68 CB | 68 CA | 68 C | 69 N ) 82.721 45.000 -37.721 0.375 0.200 4 ( 68 CB | 68 CA | 68 C | 68 O ) -97.794 -180.000 -82.206 0.324 0.375 1 ( 68 CB | 68 CA | 68 C | 68 O ) -97.794 -60.000 37.794 0.314 0.225 3 ( 68 CB | 68 CA | 68 C | 68 O ) -97.794 -135.000 -37.206 0.278 0.150 4 ( 70 CZ | 70 NE | 70 CD | 70 CG ) 137.102 180.000 42.898 0.535 2.000 1 ( 69 C | 70 N | 70 CA | 70 C ) -58.214 -180.000 -121.786 0.573 0.375 1 ( 69 C | 70 N | 70 CA | 70 C ) -58.214 -90.000 -31.786 0.166 0.300 2 ( 69 C | 70 N | 70 CA | 70 CB ) -179.992 -90.000 89.992 0.800 0.400 2 ( 69 C | 70 N | 70 CA | 70 CB ) -179.992 -135.000 44.992 0.400 0.200 4 ( 69 CB | 69 CA | 69 C | 70 N ) 70.763 180.000 109.237 0.665 0.500 1 ( 69 CB | 69 CA | 69 C | 70 N ) 70.763 36.000 -34.763 0.199 0.100 5 ( 69 CB | 69 CA | 69 C | 69 O ) -109.967 -180.000 -70.033 0.247 0.375 1 ( 69 CB | 69 CA | 69 C | 69 O ) -109.967 -60.000 49.967 0.420 0.225 3 ( 71 CZ | 71 NE | 71 CD | 71 CG ) 128.029 180.000 51.971 0.768 2.000 1 ( 70 C | 71 N | 71 CA | 71 C ) -51.266 -180.000 -128.734 0.610 0.375 1 ( 70 C | 71 N | 71 CA | 71 C ) -51.266 -90.000 -38.734 0.235 0.300 2 ( 70 C | 71 N | 71 CA | 71 CB ) -173.959 -90.000 83.959 0.791 0.400 2 ( 70 C | 71 N | 71 CA | 71 CB ) -173.959 -135.000 38.959 0.382 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 75.846 180.000 104.154 0.622 0.500 1 ( 70 CB | 70 CA | 70 C | 71 N ) 75.846 45.000 -30.846 0.310 0.200 4 ( 70 CB | 70 CA | 70 C | 71 N ) 75.846 108.000 32.154 0.194 0.100 5 ( 70 CB | 70 CA | 70 C | 70 O ) -104.516 -180.000 -75.484 0.281 0.375 1 ( 70 CB | 70 CA | 70 C | 70 O ) -104.516 -60.000 44.516 0.380 0.225 3 ( 70 CB | 70 CA | 70 C | 70 O ) -104.516 -135.000 -30.484 0.229 0.150 4 ( 71 C | 72 N | 72 CA | 72 C ) -74.196 -180.000 -105.804 0.477 0.375 1 ( 71 C | 72 N | 72 CA | 72 C ) -74.196 -108.000 -33.804 0.149 0.075 5 ( 71 CB | 71 CA | 71 C | 72 N ) 65.506 180.000 114.494 0.707 0.500 1 ( 71 CB | 71 CA | 71 C | 71 O ) -114.503 -180.000 -65.497 0.219 0.375 1 ( 71 CB | 71 CA | 71 C | 71 O ) -114.503 -60.000 54.503 0.441 0.225 3 ( 72 C | 73 N | 73 CA | 73 C ) -71.636 -180.000 -108.364 0.493 0.375 1 ( 72 C | 73 N | 73 CA | 73 C ) -71.636 -36.000 35.636 0.150 0.075 5 ( 72 C | 73 N | 73 CA | 73 CB ) 165.060 90.000 -75.060 0.747 0.400 2 ( 72 C | 73 N | 73 CA | 73 CB ) 165.060 135.000 -30.060 0.301 0.200 4 ( 73 C | 74 N | 74 CA | 74 C ) -57.598 -180.000 -122.402 0.576 0.375 1 ( 73 C | 74 N | 74 CA | 74 C ) -57.598 -90.000 -32.402 0.172 0.300 2 ( 73 C | 74 N | 74 CA | 74 CB ) 179.673 90.000 -89.673 0.800 0.400 2 ( 73 C | 74 N | 74 CA | 74 CB ) 179.673 135.000 -44.673 0.400 0.200 4 ( 73 CB | 73 CA | 73 C | 74 N ) 79.992 180.000 100.008 0.587 0.500 1 ( 73 CB | 73 CA | 73 C | 74 N ) 79.992 45.000 -34.992 0.353 0.200 4 ( 73 CB | 73 CA | 73 C | 73 O ) -100.577 -180.000 -79.423 0.306 0.375 1 ( 73 CB | 73 CA | 73 C | 73 O ) -100.577 -60.000 40.577 0.343 0.225 3 ( 73 CB | 73 CA | 73 C | 73 O ) -100.577 -135.000 -34.423 0.261 0.150 4 ( 74 C | 75 N | 75 CA | 75 C ) -51.494 -180.000 -128.506 0.608 0.375 1 ( 74 C | 75 N | 75 CA | 75 C ) -51.494 -90.000 -38.506 0.233 0.300 2 ( 74 C | 75 N | 75 CA | 75 CB ) -172.878 -90.000 82.878 0.788 0.400 2 ( 74 C | 75 N | 75 CA | 75 CB ) -172.878 -135.000 37.878 0.376 0.200 4 ( 74 CB | 74 CA | 74 C | 75 N ) 88.782 180.000 91.218 0.511 0.500 1 ( 74 CB | 74 CA | 74 C | 75 N ) 88.782 45.000 -43.782 0.399 0.200 4 ( 74 CB | 74 CA | 74 C | 74 O ) -92.396 -180.000 -87.604 0.359 0.375 1 ( 74 CB | 74 CA | 74 C | 74 O ) -92.396 -60.000 32.396 0.253 0.225 3 ( 74 CB | 74 CA | 74 C | 74 O ) -92.396 -135.000 -42.604 0.298 0.150 4 ( 75 C | 76 N | 76 CA | 76 C ) -81.925 -180.000 -98.075 0.428 0.375 1 ( 75 C | 76 N | 76 CA | 76 C ) -81.925 -45.000 36.925 0.277 0.150 4 ( 75 C | 76 N | 76 CA | 76 CB ) 155.105 90.000 -65.105 0.658 0.400 2 ( 75 CB | 75 CA | 75 C | 76 N ) 67.621 180.000 112.379 0.690 0.500 1 ( 75 CB | 75 CA | 75 C | 76 N ) 67.621 36.000 -31.621 0.193 0.100 5 ( 75 CB | 75 CA | 75 C | 75 O ) -112.826 -180.000 -67.174 0.230 0.375 1 ( 75 CB | 75 CA | 75 C | 75 O ) -112.826 -60.000 52.826 0.434 0.225 3 ( 76 C | 77 N | 77 CA | 77 C ) -63.741 -180.000 -116.259 0.541 0.375 1 ( 76 C | 77 N | 77 CA | 77 CB ) 173.336 90.000 -83.336 0.789 0.400 2 ( 76 C | 77 N | 77 CA | 77 CB ) 173.336 135.000 -38.336 0.379 0.200 4 ( 76 CB | 76 CA | 76 C | 77 N ) 96.681 180.000 83.319 0.442 0.500 1 ( 76 CB | 76 CA | 76 C | 77 N ) 96.681 60.000 -36.681 0.403 0.300 3 ( 76 CB | 76 CA | 76 C | 77 N ) 96.681 135.000 38.319 0.379 0.200 4 ( 76 CB | 76 CA | 76 C | 76 O ) -83.866 -180.000 -96.134 0.415 0.375 1 ( 76 CB | 76 CA | 76 C | 76 O ) -83.866 -45.000 38.866 0.286 0.150 4 ( 77 C | 78 N | 78 CA | 78 C ) -64.129 -180.000 -115.871 0.539 0.375 1 ( 77 C | 78 N | 78 CA | 78 CB ) 172.807 90.000 -82.807 0.787 0.400 2 ( 77 C | 78 N | 78 CA | 78 CB ) 172.807 135.000 -37.807 0.375 0.200 4 ( 77 CB | 77 CA | 77 C | 78 N ) 91.809 180.000 88.191 0.484 0.500 1 ( 77 CB | 77 CA | 77 C | 78 N ) 91.809 60.000 -31.809 0.328 0.300 3 ( 77 CB | 77 CA | 77 C | 78 N ) 91.809 135.000 43.191 0.398 0.200 4 ( 77 CB | 77 CA | 77 C | 77 O ) -87.815 -180.000 -92.185 0.389 0.375 1 ( 77 CB | 77 CA | 77 C | 77 O ) -87.815 -45.000 42.815 0.298 0.150 4 ( 78 C | 79 N | 79 CA | 79 C ) -73.419 -180.000 -106.581 0.482 0.375 1 ( 78 C | 79 N | 79 CA | 79 C ) -73.419 -108.000 -34.581 0.149 0.075 5 ( 78 C | 79 N | 79 CA | 79 CB ) 163.528 90.000 -73.528 0.736 0.400 2 ( 78 CB | 78 CA | 78 C | 79 N ) 75.117 180.000 104.883 0.628 0.500 1 ( 78 CB | 78 CA | 78 C | 79 N ) 75.117 45.000 -30.117 0.301 0.200 4 ( 78 CB | 78 CA | 78 C | 79 N ) 75.117 108.000 32.883 0.196 0.100 5 ( 78 CB | 78 CA | 78 C | 78 O ) -104.827 -180.000 -75.173 0.279 0.375 1 ( 78 CB | 78 CA | 78 C | 78 O ) -104.827 -60.000 44.827 0.383 0.225 3 ( 78 CB | 78 CA | 78 C | 78 O ) -104.827 -135.000 -30.173 0.227 0.150 4 ( 79 C | 80 N | 80 CA | 80 C ) -89.706 -180.000 -90.294 0.377 0.375 1 ( 79 C | 80 N | 80 CA | 80 C ) -89.706 -45.000 44.706 0.300 0.150 4 ( 79 C | 80 N | 80 CA | 80 CB ) 148.235 180.000 31.765 0.075 0.500 1 ( 79 C | 80 N | 80 CA | 80 CB ) 148.235 90.000 -58.235 0.578 0.400 2 ( 79 C | 80 N | 80 CA | 80 CB ) 148.235 180.000 31.765 0.328 0.300 3 ( 79 C | 80 N | 80 CA | 80 CB ) 148.235 180.000 31.765 0.193 0.100 5 ( 79 CB | 79 CA | 79 C | 80 N ) 93.334 180.000 86.666 0.471 0.500 1 ( 79 CB | 79 CA | 79 C | 80 N ) 93.334 60.000 -33.334 0.352 0.300 3 ( 79 CB | 79 CA | 79 C | 80 N ) 93.334 135.000 41.666 0.395 0.200 4 ( 79 CB | 79 CA | 79 C | 79 O ) -86.936 -180.000 -93.064 0.395 0.375 1 ( 79 CB | 79 CA | 79 C | 79 O ) -86.936 -45.000 41.936 0.297 0.150 4 ( 80 C | 81 N | 81 CA | 81 C ) -69.989 -180.000 -110.011 0.503 0.375 1 ( 80 C | 81 N | 81 CA | 81 C ) -69.989 -36.000 33.989 0.149 0.075 5 ( 80 C | 81 N | 81 CA | 81 CB ) 166.623 90.000 -76.623 0.757 0.400 2 ( 80 C | 81 N | 81 CA | 81 CB ) 166.623 135.000 -31.623 0.319 0.200 4 ( 80 CB | 80 CA | 80 C | 81 N ) 146.576 180.000 33.424 0.083 0.500 1 ( 80 CB | 80 CA | 80 C | 81 N ) 146.576 90.000 -56.576 0.557 0.400 2 ( 80 CB | 80 CA | 80 C | 81 N ) 146.576 180.000 33.424 0.354 0.300 3 ( 80 CB | 80 CA | 80 C | 81 N ) 146.576 180.000 33.424 0.197 0.100 5 ( 80 CB | 80 CA | 80 C | 80 O ) -34.287 -180.000 -145.713 0.685 0.375 1 ( 80 CB | 80 CA | 80 C | 80 O ) -34.287 -90.000 -55.713 0.410 0.300 2 ( 82 CD | 82 CG | 82 CB | 82 CA ) 90.268 60.000 -30.268 2.028 2.000 3 ( 82 CZ | 82 NE | 82 CD | 82 CG ) -144.053 -180.000 -35.947 0.381 2.000 1 ( 81 C | 82 N | 82 CA | 82 C ) -54.768 -180.000 -125.232 0.591 0.375 1 ( 81 C | 82 N | 82 CA | 82 C ) -54.768 -90.000 -35.232 0.200 0.300 2 ( 81 C | 82 N | 82 CA | 82 CB ) -177.340 -90.000 87.340 0.798 0.400 2 ( 81 C | 82 N | 82 CA | 82 CB ) -177.340 -135.000 42.340 0.397 0.200 4 ( 81 CB | 81 CA | 81 C | 82 N ) -105.287 -180.000 -74.713 0.368 0.500 1 ( 81 CB | 81 CA | 81 C | 82 N ) -105.287 -60.000 45.287 0.515 0.300 3 ( 81 CB | 81 CA | 81 C | 81 O ) 74.573 180.000 105.427 0.475 0.375 1 ( 81 CB | 81 CA | 81 C | 81 O ) 74.573 108.000 33.427 0.148 0.075 5 ( 82 C | 83 N | 83 CA | 83 C ) -67.731 -180.000 -112.269 0.517 0.375 1 ( 82 C | 83 N | 83 CA | 83 C ) -67.731 -36.000 31.731 0.145 0.075 5 ( 82 C | 83 N | 83 CA | 83 CB ) 168.939 90.000 -78.939 0.771 0.400 2 ( 82 C | 83 N | 83 CA | 83 CB ) 168.939 135.000 -33.939 0.343 0.200 4 ( 82 CB | 82 CA | 82 C | 83 N ) -81.303 -180.000 -98.697 0.576 0.500 1 ( 82 CB | 82 CA | 82 C | 83 N ) -81.303 -45.000 36.303 0.364 0.200 4 ( 82 CB | 82 CA | 82 C | 82 O ) 98.032 180.000 81.968 0.323 0.375 1 ( 82 CB | 82 CA | 82 C | 82 O ) 98.032 60.000 -38.032 0.317 0.225 3 ( 82 CB | 82 CA | 82 C | 82 O ) 98.032 135.000 36.968 0.277 0.150 4 ( 83 C | 84 N | 84 CA | 84 C ) -76.089 -180.000 -103.911 0.465 0.375 1 ( 83 C | 84 N | 84 CA | 84 C ) -76.089 -45.000 31.089 0.235 0.150 4 ( 83 C | 84 N | 84 CA | 84 C ) -76.089 -108.000 -31.911 0.145 0.075 5 ( 83 C | 84 N | 84 CA | 84 CB ) 162.336 90.000 -72.336 0.726 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -124.878 -180.000 -55.122 0.214 0.500 1 ( 83 CB | 83 CA | 83 C | 84 N ) -124.878 -90.000 34.878 0.262 0.400 2 ( 83 CB | 83 CA | 83 C | 84 N ) -124.878 -180.000 -55.122 0.590 0.300 3 ( 83 CB | 83 CA | 83 C | 83 O ) 55.698 180.000 124.302 0.586 0.375 1 ( 83 CB | 83 CA | 83 C | 83 O ) 55.698 90.000 34.302 0.191 0.300 2 ( 84 C | 85 N | 85 CA | 85 C ) -107.852 -180.000 -72.148 0.260 0.375 1 ( 84 C | 85 N | 85 CA | 85 C ) -107.852 -60.000 47.852 0.406 0.225 3 ( 84 C | 85 N | 85 CA | 85 CB ) 128.849 180.000 51.151 0.186 0.500 1 ( 84 C | 85 N | 85 CA | 85 CB ) 128.849 90.000 -38.849 0.315 0.400 2 ( 84 C | 85 N | 85 CA | 85 CB ) 128.849 180.000 51.151 0.568 0.300 3 ( 84 CB | 84 CA | 84 C | 85 N ) -109.194 -180.000 -70.806 0.336 0.500 1 ( 84 CB | 84 CA | 84 C | 85 N ) -109.194 -60.000 49.194 0.553 0.300 3 ( 84 CB | 84 CA | 84 C | 84 O ) 71.454 180.000 108.546 0.494 0.375 1 ( 84 CB | 84 CA | 84 C | 84 O ) 71.454 36.000 -35.454 0.150 0.075 5 ( 85 C | 86 N | 86 CA | 86 C ) -76.606 -180.000 -103.394 0.462 0.375 1 ( 85 C | 86 N | 86 CA | 86 C ) -76.606 -45.000 31.606 0.239 0.150 4 ( 85 C | 86 N | 86 CA | 86 C ) -76.606 -108.000 -31.394 0.144 0.075 5 ( 85 C | 86 N | 86 CA | 86 CB ) 160.205 90.000 -70.205 0.708 0.400 2 ( 85 CB | 85 CA | 85 C | 86 N ) -118.618 -180.000 -61.382 0.261 0.500 1 ( 85 CB | 85 CA | 85 C | 86 N ) -118.618 -60.000 58.618 0.599 0.300 3 ( 85 CB | 85 CA | 85 C | 85 O ) 61.088 180.000 118.912 0.556 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -66.997 -180.000 -113.003 0.522 0.375 1 ( 86 C | 87 N | 87 CA | 87 C ) -66.997 -36.000 30.997 0.143 0.075 5 ( 86 C | 87 N | 87 CA | 87 CB ) 170.189 90.000 -80.189 0.777 0.400 2 ( 86 C | 87 N | 87 CA | 87 CB ) 170.189 135.000 -35.189 0.355 0.200 4 ( 86 CB | 86 CA | 86 C | 87 N ) 130.010 180.000 49.990 0.179 0.500 1 ( 86 CB | 86 CA | 86 C | 87 N ) 130.010 90.000 -40.010 0.331 0.400 2 ( 86 CB | 86 CA | 86 C | 87 N ) 130.010 180.000 49.990 0.560 0.300 3 ( 86 CB | 86 CA | 86 C | 86 O ) -49.796 -180.000 -130.204 0.617 0.375 1 ( 86 CB | 86 CA | 86 C | 86 O ) -49.796 -90.000 -40.204 0.250 0.300 2 ( 87 C | 88 N | 88 CA | 88 C ) -82.549 -180.000 -97.451 0.424 0.375 1 ( 87 C | 88 N | 88 CA | 88 C ) -82.549 -45.000 37.549 0.280 0.150 4 ( 87 C | 88 N | 88 CA | 88 CB ) 155.467 90.000 -65.467 0.662 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -144.856 -180.000 -35.144 0.091 0.500 1 ( 87 CB | 87 CA | 87 C | 88 N ) -144.856 -90.000 54.856 0.535 0.400 2 ( 87 CB | 87 CA | 87 C | 88 N ) -144.856 -180.000 -35.144 0.380 0.300 3 ( 87 CB | 87 CA | 87 C | 88 N ) -144.856 -180.000 -35.144 0.200 0.100 5 ( 87 CB | 87 CA | 87 C | 87 O ) 36.797 180.000 143.203 0.675 0.375 1 ( 87 CB | 87 CA | 87 C | 87 O ) 36.797 90.000 53.203 0.385 0.300 2 ( 88 C | 89 N | 89 CA | 89 C ) -61.473 -180.000 -118.527 0.554 0.375 1 ( 88 C | 89 N | 89 CA | 89 CB ) 176.077 90.000 -86.077 0.796 0.400 2 ( 88 C | 89 N | 89 CA | 89 CB ) 176.077 135.000 -41.077 0.393 0.200 4 ( 88 CB | 88 CA | 88 C | 89 N ) -71.468 -180.000 -108.532 0.659 0.500 1 ( 88 CB | 88 CA | 88 C | 89 N ) -71.468 -36.000 35.468 0.200 0.100 5 ( 88 CB | 88 CA | 88 C | 88 O ) 109.333 180.000 70.667 0.251 0.375 1 ( 88 CB | 88 CA | 88 C | 88 O ) 109.333 60.000 -49.333 0.416 0.225 3 ( 89 C | 90 N | 90 CA | 90 C ) -51.395 -180.000 -128.605 0.609 0.375 1 ( 89 C | 90 N | 90 CA | 90 C ) -51.395 -90.000 -38.605 0.234 0.300 2 ( 89 C | 90 N | 90 CA | 90 CB ) -174.681 -90.000 84.681 0.793 0.400 2 ( 89 C | 90 N | 90 CA | 90 CB ) -174.681 -135.000 39.681 0.386 0.200 4 ( 89 CB | 89 CA | 89 C | 90 N ) -124.717 -180.000 -55.283 0.215 0.500 1 ( 89 CB | 89 CA | 89 C | 90 N ) -124.717 -90.000 34.717 0.259 0.400 2 ( 89 CB | 89 CA | 89 C | 90 N ) -124.717 -180.000 -55.283 0.591 0.300 3 ( 89 CB | 89 CA | 89 C | 89 O ) 55.467 180.000 124.533 0.588 0.375 1 ( 89 CB | 89 CA | 89 C | 89 O ) 55.467 90.000 34.533 0.193 0.300 2 ( 90 C | 91 N | 91 CA | 91 C ) -74.146 -180.000 -105.854 0.477 0.375 1 ( 90 C | 91 N | 91 CA | 91 C ) -74.146 -108.000 -33.854 0.149 0.075 5 ( 90 C | 91 N | 91 CA | 91 CB ) 162.938 90.000 -72.938 0.731 0.400 2 ( 90 CB | 90 CA | 90 C | 91 N ) -98.938 -180.000 -81.062 0.422 0.500 1 ( 90 CB | 90 CA | 90 C | 91 N ) -98.938 -60.000 38.938 0.435 0.300 3 ( 90 CB | 90 CA | 90 C | 91 N ) -98.938 -135.000 -36.062 0.362 0.200 4 ( 90 CB | 90 CA | 90 C | 90 O ) 81.634 180.000 98.366 0.430 0.375 1 ( 90 CB | 90 CA | 90 C | 90 O ) 81.634 45.000 -36.634 0.275 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: -1697.27, 83.9038, 105.034, 50.2475, 426.377, -293.549, -2070.12, 0.786531, 5.070314E-02, $coup, $sani, $vean