NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
630446 | 6cor | 30430 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLU 1 HT1 GLU 1 3.393 7.829 -14.924 2 H2 GLU 1 HT2 GLU 1 3.700 6.199 -15.293 3 H3 GLU 1 HT3 GLU 1 3.218 6.640 -13.724 4 HA GLU 1 HA GLU 1 1.155 7.565 -14.825 5 HB2 GLU 1 HB2 GLU 1 2.292 5.702 -17.011 6 HB3 GLU 1 HB1 GLU 1 0.521 6.025 -16.895 7 HG2 GLU 1 HG2 GLU 1 0.940 8.506 -17.179 8 HG3 GLU 1 HG1 GLU 1 2.714 8.190 -17.312 9 H MET 2 HN MET 2 2.241 4.089 -15.380 10 HA MET 2 HA MET 2 0.433 3.306 -13.177 11 HB2 MET 2 HB2 MET 2 0.810 1.837 -15.864 12 HB3 MET 2 HB1 MET 2 -0.074 1.169 -14.443 13 HG2 MET 2 HG2 MET 2 -1.746 3.036 -14.603 14 HG3 MET 2 HG1 MET 2 -0.871 3.706 -16.020 15 HE1 MET 2 HE1 MET 2 -3.031 3.780 -17.392 16 HE2 MET 2 HE2 MET 2 -3.926 3.146 -15.967 17 HE3 MET 2 HE3 MET 2 -4.183 2.414 -17.588 18 H ARG 3 HN ARG 3 1.184 1.611 -11.870 19 HA ARG 3 HA ARG 3 4.040 1.111 -12.065 20 HB2 ARG 3 HB2 ARG 3 2.032 0.273 -9.877 21 HB3 ARG 3 HB1 ARG 3 3.824 0.123 -9.763 22 HG2 ARG 3 HG2 ARG 3 2.222 2.751 -9.970 23 HG3 ARG 3 HG1 ARG 3 2.946 2.059 -8.477 24 HD2 ARG 3 HD2 ARG 3 5.268 2.208 -9.667 25 HD3 ARG 3 HD1 ARG 3 4.436 3.170 -10.966 26 HE ARG 3 HE ARG 3 3.754 4.336 -8.409 27 HH11 ARG 3 HH11 ARG 3 6.640 3.945 -10.546 28 HH12 ARG 3 HH12 ARG 3 7.406 5.396 -9.991 29 HH21 ARG 3 HH21 ARG 3 4.839 6.282 -7.697 30 HH22 ARG 3 HH22 ARG 3 6.373 6.733 -8.360 31 H LEU 4 HN LEU 4 1.231 -0.408 -13.108 32 HA LEU 4 HA LEU 4 2.319 -3.084 -12.821 33 HB2 LEU 4 HB2 LEU 4 -0.205 -1.991 -14.159 34 HB3 LEU 4 HB1 LEU 4 0.236 -3.738 -14.014 35 HG LEU 4 HG LEU 4 0.567 -2.863 -11.408 36 HD11 LEU 4 HD11 LEU 4 -1.654 -1.653 -10.812 37 HD12 LEU 4 HD12 LEU 4 -1.724 -1.182 -12.554 38 HD13 LEU 4 HD13 LEU 4 -0.313 -0.671 -11.533 39 HD21 LEU 4 HD21 LEU 4 -2.010 -4.072 -12.599 40 HD22 LEU 4 HD22 LEU 4 -1.444 -4.211 -10.889 41 HD23 LEU 4 HD23 LEU 4 -0.495 -4.985 -12.225 42 H SER 5 HN SER 5 2.013 -0.442 -15.135 43 HA SER 5 HA SER 5 2.861 -2.064 -17.302 44 HB2 SER 5 HB2 SER 5 2.843 1.003 -17.151 45 HB3 SER 5 HB1 SER 5 3.114 -0.013 -18.628 46 HG SER 5 HG SER 5 0.909 -0.886 -17.588 47 H LYS 6 HN LYS 6 4.305 -0.584 -14.495 48 HA LYS 6 HA LYS 6 6.849 -0.314 -15.721 49 HB2 LYS 6 HB2 LYS 6 6.149 1.352 -14.036 50 HB3 LYS 6 HB1 LYS 6 5.876 0.047 -12.854 51 HG2 LYS 6 HG2 LYS 6 8.694 0.108 -13.894 52 HG3 LYS 6 HG1 LYS 6 8.194 1.635 -13.085 53 HD2 LYS 6 HD2 LYS 6 7.489 0.371 -11.062 54 HD3 LYS 6 HD1 LYS 6 7.886 -1.187 -11.868 55 HE2 LYS 6 HE2 LYS 6 10.325 -0.540 -11.951 56 HE3 LYS 6 HE1 LYS 6 9.938 1.061 -11.195 57 HZ1 LYS 6 HZ1 LYS 6 10.011 -1.617 -10.016 58 HZ2 LYS 6 HZ2 LYS 6 8.864 -0.523 -9.409 59 HZ3 LYS 6 HZ3 LYS 6 10.513 -0.120 -9.393 60 H PHE 7 HN PHE 7 4.965 -2.550 -13.699 61 HA PHE 7 HA PHE 7 6.998 -4.265 -12.836 62 HB2 PHE 7 HB2 PHE 7 4.081 -4.230 -12.715 63 HB3 PHE 7 HB1 PHE 7 4.596 -5.867 -13.206 64 HD1 PHE 7 HD1 PHE 7 4.150 -3.612 -10.398 65 HD2 PHE 7 HD2 PHE 7 6.239 -7.012 -11.894 66 HE1 PHE 7 HE1 PHE 7 4.653 -4.349 -8.112 67 HE2 PHE 7 HE2 PHE 7 6.727 -7.729 -9.686 68 HZ PHE 7 HZ PHE 7 5.944 -6.414 -7.723 69 H PHE 8 HN PHE 8 4.596 -4.659 -15.398 70 HA PHE 8 HA PHE 8 5.707 -7.112 -16.177 71 HB2 PHE 8 HB2 PHE 8 4.548 -5.501 -18.310 72 HB3 PHE 8 HB1 PHE 8 4.219 -7.187 -17.830 73 HD1 PHE 8 HD1 PHE 8 3.178 -4.332 -18.657 74 HD2 PHE 8 HD2 PHE 8 2.634 -7.134 -15.514 75 HE1 PHE 8 HE1 PHE 8 1.107 -3.497 -18.349 76 HE2 PHE 8 HE2 PHE 8 0.427 -6.251 -15.176 77 HZ PHE 8 HZ PHE 8 -0.381 -4.433 -16.606 78 H ARG 9 HN ARG 9 6.392 -3.771 -16.865 79 HA ARG 9 HA ARG 9 7.243 -3.964 -19.424 80 HB2 ARG 9 HB2 ARG 9 6.885 -2.084 -17.643 81 HB3 ARG 9 HB1 ARG 9 8.580 -2.324 -17.207 82 HG2 ARG 9 HG2 ARG 9 9.237 -1.625 -19.532 83 HG3 ARG 9 HG1 ARG 9 7.489 -1.365 -19.907 84 HD2 ARG 9 HD2 ARG 9 7.336 0.388 -18.040 85 HD3 ARG 9 HD1 ARG 9 9.103 0.131 -17.683 86 HE ARG 9 HE ARG 9 8.827 0.739 -20.500 87 HH11 ARG 9 HH11 ARG 9 8.473 2.351 -17.288 88 HH12 ARG 9 HH12 ARG 9 8.866 3.927 -17.890 89 HH21 ARG 9 HH21 ARG 9 9.357 2.889 -21.256 90 HH22 ARG 9 HH22 ARG 9 9.372 4.232 -20.163 91 H ASP 10 HN ASP 10 8.946 -4.537 -16.371 92 HA ASP 10 HA ASP 10 11.324 -5.287 -17.695 93 HB2 ASP 10 HB2 ASP 10 10.603 -5.321 -14.686 94 HB3 ASP 10 HB1 ASP 10 12.238 -5.710 -15.337 95 H ALA 11 HN ALA 11 8.352 -6.874 -17.100 96 HA ALA 11 HA ALA 11 9.665 -9.428 -16.471 97 HB1 ALA 11 HB1 ALA 11 6.668 -9.018 -16.803 98 HB2 ALA 11 HB2 ALA 11 7.501 -8.518 -15.283 99 HB3 ALA 11 HB3 ALA 11 7.539 -10.249 -15.803 100 H ILE 12 HN ILE 12 7.582 -7.938 -18.935 101 HA ILE 12 HA ILE 12 7.603 -10.357 -20.542 102 HB ILE 12 HB ILE 12 6.352 -7.604 -21.007 103 HG12 ILE 12 HG12 ILE 12 5.144 -10.079 -19.631 104 HG13 ILE 12 HG11 ILE 12 5.578 -8.480 -18.909 105 HG21 ILE 12 HG21 ILE 12 4.766 -8.950 -22.602 106 HG22 ILE 12 HG22 ILE 12 5.822 -10.387 -22.360 107 HG23 ILE 12 HG23 ILE 12 6.474 -8.906 -23.153 108 HD11 ILE 12 HD11 ILE 12 3.839 -7.345 -20.339 109 HD12 ILE 12 HD12 ILE 12 3.121 -8.592 -19.248 110 HD13 ILE 12 HD13 ILE 12 3.326 -8.951 -21.003 111 H LEU 13 HN LEU 13 8.827 -7.006 -20.479 112 HA LEU 13 HA LEU 13 9.602 -7.192 -23.245 113 HB2 LEU 13 HB2 LEU 13 10.000 -4.905 -21.249 114 HB3 LEU 13 HB1 LEU 13 10.106 -4.778 -23.058 115 HG LEU 13 HG LEU 13 7.645 -5.237 -21.266 116 HD11 LEU 13 HD11 LEU 13 8.640 -2.880 -21.566 117 HD12 LEU 13 HD12 LEU 13 6.868 -3.074 -21.861 118 HD13 LEU 13 HD13 LEU 13 8.010 -2.918 -23.258 119 HD21 LEU 13 HD21 LEU 13 6.948 -6.574 -23.139 120 HD22 LEU 13 HD22 LEU 13 7.743 -5.503 -24.353 121 HD23 LEU 13 HD23 LEU 13 6.238 -4.964 -23.512 122 H GLN 14 HN GLN 14 11.044 -8.169 -20.332 123 HA GLN 14 HA GLN 14 13.697 -7.368 -21.372 124 HB2 GLN 14 HB2 GLN 14 12.776 -8.596 -18.762 125 HB3 GLN 14 HB1 GLN 14 14.510 -8.735 -19.264 126 HG2 GLN 14 HG2 GLN 14 14.244 -6.088 -19.687 127 HG3 GLN 14 HG1 GLN 14 12.857 -6.286 -18.576 128 HE21 GLN 14 HE21 GLN 14 13.407 -7.486 -16.371 129 HE22 GLN 14 HE22 GLN 14 14.956 -7.161 -15.667 130 H ARG 15 HN ARG 15 11.315 -9.745 -21.680 131 HA ARG 15 HA ARG 15 13.088 -11.969 -22.098 132 HB2 ARG 15 HB2 ARG 15 10.259 -11.563 -23.215 133 HB3 ARG 15 HB1 ARG 15 11.116 -13.135 -22.983 134 HG2 ARG 15 HG2 ARG 15 11.148 -12.673 -20.476 135 HG3 ARG 15 HG1 ARG 15 10.217 -11.162 -20.806 136 HD2 ARG 15 HD2 ARG 15 8.632 -12.833 -20.068 137 HD3 ARG 15 HD1 ARG 15 8.375 -12.611 -21.849 138 HE ARG 15 HE ARG 15 10.249 -14.793 -21.417 139 HH11 ARG 15 HH11 ARG 15 6.740 -14.041 -21.010 140 HH12 ARG 15 HH12 ARG 15 6.233 -15.685 -21.211 141 HH21 ARG 15 HH21 ARG 15 9.503 -16.994 -21.685 142 HH22 ARG 15 HH22 ARG 15 7.816 -17.374 -21.598 143 H LYS 16 HN LYS 16 11.451 -9.495 -24.109 144 HA LYS 16 HA LYS 16 13.086 -10.304 -26.421 145 HB2 LYS 16 HB2 LYS 16 10.531 -8.629 -25.998 146 HB3 LYS 16 HB1 LYS 16 11.497 -8.445 -27.502 147 HG2 LYS 16 HG2 LYS 16 9.621 -9.940 -27.895 148 HG3 LYS 16 HG1 LYS 16 11.151 -10.860 -28.043 149 HD2 LYS 16 HD2 LYS 16 10.758 -12.051 -25.936 150 HD3 LYS 16 HD1 LYS 16 9.489 -10.889 -25.434 151 HE2 LYS 16 HE2 LYS 16 8.350 -12.945 -26.106 152 HE3 LYS 16 HE1 LYS 16 8.040 -11.743 -27.422 153 HZ1 LYS 16 HZ1 LYS 16 8.696 -13.461 -28.665 154 HZ2 LYS 16 HZ2 LYS 16 9.602 -14.204 -27.436 155 HZ3 LYS 16 HZ3 LYS 16 10.262 -12.905 -28.310 156 H LYS 17 HN LYS 17 15.144 -9.339 -26.080 157 HA LYS 17 HA LYS 17 15.231 -6.453 -26.076 158 HB2 LYS 17 HB2 LYS 17 15.665 -7.972 -23.512 159 HB3 LYS 17 HB1 LYS 17 17.111 -7.017 -23.964 160 HG2 LYS 17 HG2 LYS 17 14.319 -5.691 -23.876 161 HG3 LYS 17 HG1 LYS 17 15.246 -5.960 -22.366 162 HD2 LYS 17 HD2 LYS 17 17.188 -4.649 -23.371 163 HD3 LYS 17 HD1 LYS 17 16.184 -4.325 -24.829 164 HE2 LYS 17 HE2 LYS 17 14.497 -3.097 -23.400 165 HE3 LYS 17 HE1 LYS 17 15.506 -3.429 -21.932 166 HZ1 LYS 17 HZ1 LYS 17 17.161 -2.037 -22.688 167 HZ2 LYS 17 HZ2 LYS 17 15.743 -1.214 -23.130 168 HZ3 LYS 17 HZ3 LYS 17 16.634 -2.057 -24.302 Start of MODEL 2 1 H1 GLU 1 HT1 GLU 1 0.205 6.500 -16.709 2 H2 GLU 1 HT2 GLU 1 1.265 7.807 -16.941 3 H3 GLU 1 HT3 GLU 1 0.218 7.791 -15.605 4 HA GLU 1 HA GLU 1 2.517 6.017 -16.118 5 HB2 GLU 1 HB2 GLU 1 1.905 8.176 -13.987 6 HB3 GLU 1 HB1 GLU 1 3.210 6.953 -13.747 7 HG2 GLU 1 HG2 GLU 1 4.381 7.760 -15.837 8 HG3 GLU 1 HG1 GLU 1 3.080 8.985 -16.099 9 H MET 2 HN MET 2 2.239 3.913 -15.491 10 HA MET 2 HA MET 2 0.487 3.385 -13.171 11 HB2 MET 2 HB2 MET 2 0.711 1.729 -15.764 12 HB3 MET 2 HB1 MET 2 -0.146 1.181 -14.278 13 HG2 MET 2 HG2 MET 2 -1.750 3.101 -14.498 14 HG3 MET 2 HG1 MET 2 -0.900 3.649 -15.981 15 HE1 MET 2 HE1 MET 2 -3.982 3.190 -15.773 16 HE2 MET 2 HE2 MET 2 -4.316 2.389 -17.347 17 HE3 MET 2 HE3 MET 2 -3.120 3.727 -17.257 18 H ARG 3 HN ARG 3 1.168 1.639 -11.824 19 HA ARG 3 HA ARG 3 4.017 1.105 -11.993 20 HB2 ARG 3 HB2 ARG 3 1.964 0.305 -9.831 21 HB3 ARG 3 HB1 ARG 3 3.747 0.101 -9.688 22 HG2 ARG 3 HG2 ARG 3 2.257 2.792 -9.944 23 HG3 ARG 3 HG1 ARG 3 2.860 2.063 -8.417 24 HD2 ARG 3 HD2 ARG 3 5.250 2.104 -9.461 25 HD3 ARG 3 HD1 ARG 3 4.548 3.098 -10.813 26 HE ARG 3 HE ARG 3 3.754 4.318 -8.320 27 HH11 ARG 3 HH11 ARG 3 6.784 3.752 -10.206 28 HH12 ARG 3 HH12 ARG 3 7.589 5.150 -9.575 29 HH21 ARG 3 HH21 ARG 3 4.894 6.188 -7.501 30 HH22 ARG 3 HH22 ARG 3 6.507 6.543 -8.027 31 H LEU 4 HN LEU 4 1.200 -0.413 -13.041 32 HA LEU 4 HA LEU 4 2.294 -3.089 -12.754 33 HB2 LEU 4 HB2 LEU 4 -0.238 -2.004 -14.087 34 HB3 LEU 4 HB1 LEU 4 0.213 -3.750 -13.946 35 HG LEU 4 HG LEU 4 0.540 -2.897 -11.339 36 HD11 LEU 4 HD11 LEU 4 -0.319 -0.698 -11.425 37 HD12 LEU 4 HD12 LEU 4 -1.682 -1.675 -10.736 38 HD13 LEU 4 HD13 LEU 4 -1.725 -1.172 -12.470 39 HD21 LEU 4 HD21 LEU 4 -2.050 -4.072 -12.544 40 HD22 LEU 4 HD22 LEU 4 -1.490 -4.228 -10.833 41 HD23 LEU 4 HD23 LEU 4 -0.543 -5.002 -12.171 42 H SER 5 HN SER 5 1.969 -0.446 -15.069 43 HA SER 5 HA SER 5 2.816 -2.064 -17.236 44 HB2 SER 5 HB2 SER 5 2.783 1.004 -17.084 45 HB3 SER 5 HB1 SER 5 3.074 -0.007 -18.561 46 HG SER 5 HG SER 5 0.994 -0.864 -18.272 47 H LYS 6 HN LYS 6 4.273 -0.581 -14.433 48 HA LYS 6 HA LYS 6 6.810 -0.300 -15.667 49 HB2 LYS 6 HB2 LYS 6 6.089 1.335 -13.946 50 HB3 LYS 6 HB1 LYS 6 5.870 0.004 -12.779 51 HG2 LYS 6 HG2 LYS 6 8.663 0.136 -13.880 52 HG3 LYS 6 HG1 LYS 6 8.153 1.646 -13.046 53 HD2 LYS 6 HD2 LYS 6 7.508 0.334 -11.021 54 HD3 LYS 6 HD1 LYS 6 7.950 -1.197 -11.854 55 HE2 LYS 6 HE2 LYS 6 10.365 -0.454 -11.968 56 HE3 LYS 6 HE1 LYS 6 9.929 1.118 -11.181 57 HZ1 LYS 6 HZ1 LYS 6 8.927 -0.907 -9.568 58 HZ2 LYS 6 HZ2 LYS 6 10.247 0.120 -9.274 59 HZ3 LYS 6 HZ3 LYS 6 10.494 -1.390 -10.011 60 H PHE 7 HN PHE 7 4.957 -2.555 -13.629 61 HA PHE 7 HA PHE 7 7.003 -4.269 -12.801 62 HB2 PHE 7 HB2 PHE 7 4.087 -4.245 -12.640 63 HB3 PHE 7 HB1 PHE 7 4.596 -5.877 -13.157 64 HD1 PHE 7 HD1 PHE 7 4.180 -3.660 -10.314 65 HD2 PHE 7 HD2 PHE 7 6.264 -7.035 -11.878 66 HE1 PHE 7 HE1 PHE 7 4.708 -4.430 -8.041 67 HE2 PHE 7 HE2 PHE 7 6.777 -7.781 -9.685 68 HZ PHE 7 HZ PHE 7 6.010 -6.498 -7.695 69 H PHE 8 HN PHE 8 4.586 -4.653 -15.355 70 HA PHE 8 HA PHE 8 5.711 -7.096 -16.152 71 HB2 PHE 8 HB2 PHE 8 4.527 -5.501 -18.275 72 HB3 PHE 8 HB1 PHE 8 4.206 -7.184 -17.781 73 HD1 PHE 8 HD1 PHE 8 3.169 -4.325 -18.611 74 HD2 PHE 8 HD2 PHE 8 2.621 -7.131 -15.473 75 HE1 PHE 8 HE1 PHE 8 1.102 -3.489 -18.307 76 HE2 PHE 8 HE2 PHE 8 0.412 -6.246 -15.136 77 HZ PHE 8 HZ PHE 8 -0.393 -4.426 -16.565 78 H ARG 9 HN ARG 9 6.395 -3.747 -16.827 79 HA ARG 9 HA ARG 9 7.234 -3.940 -19.401 80 HB2 ARG 9 HB2 ARG 9 6.938 -2.072 -17.519 81 HB3 ARG 9 HB1 ARG 9 8.680 -2.261 -17.287 82 HG2 ARG 9 HG2 ARG 9 9.055 -1.547 -19.663 83 HG3 ARG 9 HG1 ARG 9 7.269 -1.381 -19.871 84 HD2 ARG 9 HD2 ARG 9 7.216 0.410 -18.021 85 HD3 ARG 9 HD1 ARG 9 9.028 0.261 -17.872 86 HE ARG 9 HE ARG 9 8.410 0.758 -20.651 87 HH11 ARG 9 HH11 ARG 9 8.270 2.481 -17.478 88 HH12 ARG 9 HH12 ARG 9 8.471 4.052 -18.179 89 HH21 ARG 9 HH21 ARG 9 8.679 2.906 -21.536 90 HH22 ARG 9 HH22 ARG 9 8.704 4.294 -20.500 91 H ASP 10 HN ASP 10 8.958 -4.523 -16.349 92 HA ASP 10 HA ASP 10 11.324 -5.303 -17.701 93 HB2 ASP 10 HB2 ASP 10 10.628 -5.298 -14.683 94 HB3 ASP 10 HB1 ASP 10 12.243 -5.773 -15.337 95 H ALA 11 HN ALA 11 8.340 -6.866 -17.098 96 HA ALA 11 HA ALA 11 9.648 -9.431 -16.493 97 HB1 ALA 11 HB1 ALA 11 7.515 -10.270 -15.852 98 HB2 ALA 11 HB2 ALA 11 6.650 -8.996 -16.807 99 HB3 ALA 11 HB3 ALA 11 7.498 -8.557 -15.276 100 H ILE 12 HN ILE 12 7.559 -7.921 -18.945 101 HA ILE 12 HA ILE 12 7.574 -10.335 -20.565 102 HB ILE 12 HB ILE 12 6.337 -7.574 -21.026 103 HG12 ILE 12 HG12 ILE 12 5.107 -10.036 -19.641 104 HG13 ILE 12 HG11 ILE 12 5.565 -8.444 -18.920 105 HG21 ILE 12 HG21 ILE 12 6.446 -8.927 -23.166 106 HG22 ILE 12 HG22 ILE 12 4.743 -8.886 -22.621 107 HG23 ILE 12 HG23 ILE 12 5.734 -10.365 -22.344 108 HD11 ILE 12 HD11 ILE 12 3.101 -8.531 -19.256 109 HD12 ILE 12 HD12 ILE 12 3.304 -8.876 -21.012 110 HD13 ILE 12 HD13 ILE 12 3.835 -7.282 -20.333 111 H LEU 13 HN LEU 13 8.857 -7.017 -20.457 112 HA LEU 13 HA LEU 13 9.645 -7.180 -23.231 113 HB2 LEU 13 HB2 LEU 13 10.015 -4.897 -21.227 114 HB3 LEU 13 HB1 LEU 13 10.117 -4.773 -23.038 115 HG LEU 13 HG LEU 13 7.663 -5.252 -21.237 116 HD11 LEU 13 HD11 LEU 13 7.964 -2.958 -23.265 117 HD12 LEU 13 HD12 LEU 13 8.622 -2.881 -21.586 118 HD13 LEU 13 HD13 LEU 13 6.848 -3.116 -21.847 119 HD21 LEU 13 HD21 LEU 13 7.073 -6.658 -23.145 120 HD22 LEU 13 HD22 LEU 13 7.709 -5.469 -24.339 121 HD23 LEU 13 HD23 LEU 13 6.202 -5.105 -23.412 122 H GLN 14 HN GLN 14 11.053 -8.231 -20.328 123 HA GLN 14 HA GLN 14 13.727 -7.405 -21.323 124 HB2 GLN 14 HB2 GLN 14 12.766 -8.680 -18.745 125 HB3 GLN 14 HB1 GLN 14 14.501 -8.846 -19.233 126 HG2 GLN 14 HG2 GLN 14 14.278 -6.176 -19.597 127 HG3 GLN 14 HG1 GLN 14 12.893 -6.387 -18.484 128 HE21 GLN 14 HE21 GLN 14 13.420 -7.611 -16.304 129 HE22 GLN 14 HE22 GLN 14 14.983 -7.351 -15.604 130 H ARG 15 HN ARG 15 11.329 -9.748 -21.718 131 HA ARG 15 HA ARG 15 13.103 -11.973 -22.196 132 HB2 ARG 15 HB2 ARG 15 10.280 -11.609 -23.327 133 HB3 ARG 15 HB1 ARG 15 11.128 -13.162 -22.961 134 HG2 ARG 15 HG2 ARG 15 11.131 -12.444 -20.493 135 HG3 ARG 15 HG1 ARG 15 10.103 -11.061 -20.973 136 HD2 ARG 15 HD2 ARG 15 9.385 -14.055 -21.084 137 HD3 ARG 15 HD1 ARG 15 8.671 -12.743 -20.051 138 HE ARG 15 HE ARG 15 8.166 -11.881 -22.671 139 HH11 ARG 15 HH11 ARG 15 7.372 -14.877 -20.802 140 HH12 ARG 15 HH12 ARG 15 5.906 -15.182 -21.673 141 HH21 ARG 15 HH21 ARG 15 6.175 -12.354 -23.805 142 HH22 ARG 15 HH22 ARG 15 5.224 -13.740 -23.388 143 H LYS 16 HN LYS 16 11.432 -9.455 -24.129 144 HA LYS 16 HA LYS 16 13.060 -10.209 -26.466 145 HB2 LYS 16 HB2 LYS 16 10.477 -8.606 -25.986 146 HB3 LYS 16 HB1 LYS 16 11.451 -8.281 -27.457 147 HG2 LYS 16 HG2 LYS 16 9.724 -9.787 -28.098 148 HG3 LYS 16 HG1 LYS 16 11.239 -10.742 -28.083 149 HD2 LYS 16 HD2 LYS 16 10.492 -11.655 -25.739 150 HD3 LYS 16 HD1 LYS 16 8.928 -10.809 -26.011 151 HE2 LYS 16 HE2 LYS 16 10.078 -12.963 -27.937 152 HE3 LYS 16 HE1 LYS 16 8.917 -13.313 -26.595 153 HZ1 LYS 16 HZ1 LYS 16 7.515 -11.499 -27.748 154 HZ2 LYS 16 HZ2 LYS 16 7.581 -13.062 -28.410 155 HZ3 LYS 16 HZ3 LYS 16 8.496 -11.808 -29.101 156 H LYS 17 HN LYS 17 15.121 -9.248 -26.123 157 HA LYS 17 HA LYS 17 15.212 -6.367 -26.055 158 HB2 LYS 17 HB2 LYS 17 15.579 -7.905 -23.506 159 HB3 LYS 17 HB1 LYS 17 17.075 -7.015 -23.927 160 HG2 LYS 17 HG2 LYS 17 14.351 -5.553 -23.895 161 HG3 LYS 17 HG1 LYS 17 15.214 -5.885 -22.357 162 HD2 LYS 17 HD2 LYS 17 17.254 -4.669 -23.278 163 HD3 LYS 17 HD1 LYS 17 16.335 -4.293 -24.777 164 HE2 LYS 17 HE2 LYS 17 14.665 -2.963 -23.426 165 HE3 LYS 17 HE1 LYS 17 15.582 -3.352 -21.913 166 HZ1 LYS 17 HZ1 LYS 17 17.139 -1.865 -22.411 167 HZ2 LYS 17 HZ2 LYS 17 15.964 -1.191 -23.435 168 HZ3 LYS 17 HZ3 LYS 17 17.158 -2.217 -24.072 Start of MODEL 3 1 H1 GLU 1 HT1 GLU 1 3.787 5.882 -14.858 2 H2 GLU 1 HT2 GLU 1 3.481 7.341 -14.044 3 H3 GLU 1 HT3 GLU 1 3.881 7.360 -15.694 4 HA GLU 1 HA GLU 1 1.460 7.634 -14.944 5 HB2 GLU 1 HB2 GLU 1 2.474 5.856 -17.255 6 HB3 GLU 1 HB1 GLU 1 0.713 6.207 -17.067 7 HG2 GLU 1 HG2 GLU 1 1.182 8.696 -17.213 8 HG3 GLU 1 HG1 GLU 1 2.942 8.347 -17.426 9 H MET 2 HN MET 2 2.507 4.140 -15.549 10 HA MET 2 HA MET 2 0.603 3.363 -13.424 11 HB2 MET 2 HB2 MET 2 1.043 1.903 -16.104 12 HB3 MET 2 HB1 MET 2 0.106 1.241 -14.712 13 HG2 MET 2 HG2 MET 2 -1.529 3.141 -14.916 14 HG3 MET 2 HG1 MET 2 -0.604 3.796 -16.307 15 HE1 MET 2 HE1 MET 2 -3.905 2.550 -17.942 16 HE2 MET 2 HE2 MET 2 -2.749 3.904 -17.704 17 HE3 MET 2 HE3 MET 2 -3.676 3.260 -16.304 18 H ARG 3 HN ARG 3 1.244 1.642 -12.122 19 HA ARG 3 HA ARG 3 4.083 1.050 -12.174 20 HB2 ARG 3 HB2 ARG 3 1.850 0.401 -10.156 21 HB3 ARG 3 HB1 ARG 3 3.557 -0.122 -9.928 22 HG2 ARG 3 HG2 ARG 3 2.726 2.823 -10.270 23 HG3 ARG 3 HG1 ARG 3 2.794 1.984 -8.680 24 HD2 ARG 3 HD2 ARG 3 5.240 1.422 -9.089 25 HD3 ARG 3 HD1 ARG 3 5.185 2.358 -10.649 26 HE ARG 3 HE ARG 3 4.217 4.105 -8.595 27 HH11 ARG 3 HH11 ARG 3 7.294 2.375 -9.369 28 HH12 ARG 3 HH12 ARG 3 8.303 3.580 -8.641 29 HH21 ARG 3 HH21 ARG 3 5.624 5.695 -7.636 30 HH22 ARG 3 HH22 ARG 3 7.342 5.483 -7.647 31 H LEU 4 HN LEU 4 1.255 -0.400 -13.339 32 HA LEU 4 HA LEU 4 2.312 -3.085 -13.023 33 HB2 LEU 4 HB2 LEU 4 -0.206 -1.940 -14.312 34 HB3 LEU 4 HB1 LEU 4 0.215 -3.700 -14.264 35 HG LEU 4 HG LEU 4 0.655 -2.935 -11.638 36 HD11 LEU 4 HD11 LEU 4 -0.197 -0.791 -11.497 37 HD12 LEU 4 HD12 LEU 4 -1.621 -1.777 -10.956 38 HD13 LEU 4 HD13 LEU 4 -1.569 -1.119 -12.638 39 HD21 LEU 4 HD21 LEU 4 -1.324 -4.307 -11.086 40 HD22 LEU 4 HD22 LEU 4 -0.425 -5.022 -12.487 41 HD23 LEU 4 HD23 LEU 4 -1.960 -4.107 -12.765 42 H SER 5 HN SER 5 2.107 -0.472 -15.353 43 HA SER 5 HA SER 5 2.961 -2.152 -17.472 44 HB2 SER 5 HB2 SER 5 2.988 0.912 -17.359 45 HB3 SER 5 HB1 SER 5 3.301 -0.123 -18.814 46 HG SER 5 HG SER 5 1.164 -1.001 -18.405 47 H LYS 6 HN LYS 6 4.351 -0.628 -14.658 48 HA LYS 6 HA LYS 6 6.940 -0.459 -15.787 49 HB2 LYS 6 HB2 LYS 6 6.191 1.252 -14.150 50 HB3 LYS 6 HB1 LYS 6 5.928 -0.034 -12.943 51 HG2 LYS 6 HG2 LYS 6 8.731 0.016 -14.021 52 HG3 LYS 6 HG1 LYS 6 8.244 1.543 -13.203 53 HD2 LYS 6 HD2 LYS 6 7.664 0.367 -11.153 54 HD3 LYS 6 HD1 LYS 6 7.814 -1.239 -11.950 55 HE2 LYS 6 HE2 LYS 6 10.320 -0.807 -12.259 56 HE3 LYS 6 HE1 LYS 6 10.133 0.761 -11.370 57 HZ1 LYS 6 HZ1 LYS 6 9.272 -0.547 -9.489 58 HZ2 LYS 6 HZ2 LYS 6 10.877 -0.922 -9.899 59 HZ3 LYS 6 HZ3 LYS 6 9.621 -1.980 -10.330 60 H PHE 7 HN PHE 7 4.937 -2.615 -13.807 61 HA PHE 7 HA PHE 7 6.898 -4.353 -12.839 62 HB2 PHE 7 HB2 PHE 7 3.982 -4.266 -12.847 63 HB3 PHE 7 HB1 PHE 7 4.484 -5.916 -13.293 64 HD1 PHE 7 HD1 PHE 7 3.948 -3.618 -10.531 65 HD2 PHE 7 HD2 PHE 7 6.035 -7.077 -11.890 66 HE1 PHE 7 HE1 PHE 7 4.308 -4.344 -8.217 67 HE2 PHE 7 HE2 PHE 7 6.388 -7.784 -9.657 68 HZ PHE 7 HZ PHE 7 5.533 -6.435 -7.745 69 H PHE 8 HN PHE 8 4.607 -4.723 -15.507 70 HA PHE 8 HA PHE 8 5.712 -7.205 -16.199 71 HB2 PHE 8 HB2 PHE 8 4.654 -5.635 -18.406 72 HB3 PHE 8 HB1 PHE 8 4.283 -7.303 -17.893 73 HD1 PHE 8 HD1 PHE 8 3.324 -4.423 -18.805 74 HD2 PHE 8 HD2 PHE 8 2.592 -7.194 -15.673 75 HE1 PHE 8 HE1 PHE 8 1.263 -3.535 -18.579 76 HE2 PHE 8 HE2 PHE 8 0.393 -6.259 -15.425 77 HZ PHE 8 HZ PHE 8 -0.315 -4.429 -16.891 78 H ARG 9 HN ARG 9 6.482 -3.885 -16.870 79 HA ARG 9 HA ARG 9 7.453 -4.110 -19.385 80 HB2 ARG 9 HB2 ARG 9 7.151 -2.237 -17.496 81 HB3 ARG 9 HB1 ARG 9 8.880 -2.483 -17.229 82 HG2 ARG 9 HG2 ARG 9 9.344 -1.740 -19.565 83 HG3 ARG 9 HG1 ARG 9 7.570 -1.558 -19.848 84 HD2 ARG 9 HD2 ARG 9 7.470 0.185 -17.938 85 HD3 ARG 9 HD1 ARG 9 9.281 0.053 -17.789 86 HE ARG 9 HE ARG 9 8.763 0.616 -20.536 87 HH11 ARG 9 HH11 ARG 9 8.158 2.234 -17.360 88 HH12 ARG 9 HH12 ARG 9 8.268 3.836 -18.010 89 HH21 ARG 9 HH21 ARG 9 8.902 2.801 -21.351 90 HH22 ARG 9 HH22 ARG 9 8.695 4.158 -20.296 91 H ASP 10 HN ASP 10 8.946 -4.733 -16.247 92 HA ASP 10 HA ASP 10 11.373 -5.580 -17.444 93 HB2 ASP 10 HB2 ASP 10 10.522 -5.557 -14.464 94 HB3 ASP 10 HB1 ASP 10 12.170 -5.998 -15.048 95 H ALA 11 HN ALA 11 8.333 -7.058 -17.023 96 HA ALA 11 HA ALA 11 9.542 -9.653 -16.336 97 HB1 ALA 11 HB1 ALA 11 7.362 -10.446 -15.805 98 HB2 ALA 11 HB2 ALA 11 6.574 -9.166 -16.816 99 HB3 ALA 11 HB3 ALA 11 7.339 -8.729 -15.240 100 H ILE 12 HN ILE 12 7.630 -8.086 -18.883 101 HA ILE 12 HA ILE 12 7.714 -10.481 -20.531 102 HB ILE 12 HB ILE 12 6.532 -7.699 -21.035 103 HG12 ILE 12 HG12 ILE 12 5.191 -10.154 -19.750 104 HG13 ILE 12 HG11 ILE 12 5.638 -8.581 -18.982 105 HG21 ILE 12 HG21 ILE 12 6.743 -8.990 -23.175 106 HG22 ILE 12 HG22 ILE 12 5.011 -9.027 -22.716 107 HG23 ILE 12 HG23 ILE 12 6.045 -10.474 -22.424 108 HD11 ILE 12 HD11 ILE 12 3.205 -8.598 -19.447 109 HD12 ILE 12 HD12 ILE 12 3.485 -8.955 -21.191 110 HD13 ILE 12 HD13 ILE 12 4.019 -7.371 -20.491 111 H LEU 13 HN LEU 13 8.926 -7.124 -20.354 112 HA LEU 13 HA LEU 13 9.903 -7.283 -23.052 113 HB2 LEU 13 HB2 LEU 13 10.161 -4.990 -21.046 114 HB3 LEU 13 HB1 LEU 13 10.372 -4.879 -22.848 115 HG LEU 13 HG LEU 13 7.824 -5.354 -21.201 116 HD11 LEU 13 HD11 LEU 13 8.906 -2.973 -21.581 117 HD12 LEU 13 HD12 LEU 13 7.117 -3.193 -21.707 118 HD13 LEU 13 HD13 LEU 13 8.122 -3.055 -23.207 119 HD21 LEU 13 HD21 LEU 13 8.102 -5.620 -24.280 120 HD22 LEU 13 HD22 LEU 13 6.539 -5.128 -23.520 121 HD23 LEU 13 HD23 LEU 13 7.272 -6.714 -23.113 122 H GLN 14 HN GLN 14 11.119 -8.278 -20.068 123 HA GLN 14 HA GLN 14 13.844 -7.422 -20.800 124 HB2 GLN 14 HB2 GLN 14 12.577 -8.853 -18.468 125 HB3 GLN 14 HB1 GLN 14 14.330 -9.138 -18.776 126 HG2 GLN 14 HG2 GLN 14 13.204 -6.288 -18.767 127 HG3 GLN 14 HG1 GLN 14 13.496 -7.133 -17.194 128 HE21 GLN 14 HE21 GLN 14 15.774 -8.108 -16.869 129 HE22 GLN 14 HE22 GLN 14 17.130 -7.251 -17.526 130 H ARG 15 HN ARG 15 11.508 -9.745 -21.542 131 HA ARG 15 HA ARG 15 13.453 -11.794 -22.223 132 HB2 ARG 15 HB2 ARG 15 10.519 -11.735 -23.056 133 HB3 ARG 15 HB1 ARG 15 11.580 -13.169 -22.785 134 HG2 ARG 15 HG2 ARG 15 11.640 -12.597 -20.312 135 HG3 ARG 15 HG1 ARG 15 10.543 -11.204 -20.655 136 HD2 ARG 15 HD2 ARG 15 9.154 -13.010 -19.824 137 HD3 ARG 15 HD1 ARG 15 8.835 -12.872 -21.603 138 HE ARG 15 HE ARG 15 10.941 -14.832 -21.132 139 HH11 ARG 15 HH11 ARG 15 7.375 -14.425 -20.774 140 HH12 ARG 15 HH12 ARG 15 7.035 -16.118 -20.899 141 HH21 ARG 15 HH21 ARG 15 10.431 -17.110 -21.303 142 HH22 ARG 15 HH22 ARG 15 8.791 -17.659 -21.202 143 H LYS 16 HN LYS 16 11.238 -9.416 -23.768 144 HA LYS 16 HA LYS 16 12.633 -9.845 -26.328 145 HB2 LYS 16 HB2 LYS 16 9.898 -8.747 -25.465 146 HB3 LYS 16 HB1 LYS 16 10.599 -8.208 -27.026 147 HG2 LYS 16 HG2 LYS 16 9.127 -10.013 -27.545 148 HG3 LYS 16 HG1 LYS 16 10.785 -10.661 -27.729 149 HD2 LYS 16 HD2 LYS 16 10.546 -11.794 -25.423 150 HD3 LYS 16 HD1 LYS 16 8.870 -11.156 -25.336 151 HE2 LYS 16 HE2 LYS 16 8.748 -13.495 -26.056 152 HE3 LYS 16 HE1 LYS 16 8.346 -12.488 -27.503 153 HZ1 LYS 16 HZ1 LYS 16 10.719 -12.735 -28.149 154 HZ2 LYS 16 HZ2 LYS 16 9.837 -14.186 -28.134 155 HZ3 LYS 16 HZ3 LYS 16 10.925 -13.840 -26.876 156 H LYS 17 HN LYS 17 14.526 -8.591 -26.224 157 HA LYS 17 HA LYS 17 14.153 -5.721 -26.077 158 HB2 LYS 17 HB2 LYS 17 15.118 -7.198 -23.696 159 HB3 LYS 17 HB1 LYS 17 16.472 -6.223 -24.346 160 HG2 LYS 17 HG2 LYS 17 13.731 -4.893 -23.903 161 HG3 LYS 17 HG1 LYS 17 14.773 -5.245 -22.486 162 HD2 LYS 17 HD2 LYS 17 16.655 -3.928 -23.641 163 HD3 LYS 17 HD1 LYS 17 15.480 -3.485 -24.932 164 HE2 LYS 17 HE2 LYS 17 14.020 -2.335 -23.222 165 HE3 LYS 17 HE1 LYS 17 15.178 -2.807 -21.912 166 HZ1 LYS 17 HZ1 LYS 17 16.131 -1.298 -24.262 167 HZ2 LYS 17 HZ2 LYS 17 16.737 -1.350 -22.676 168 HZ3 LYS 17 HZ3 LYS 17 15.304 -0.501 -23.011 Start of MODEL 4 1 H1 GLU 1 HT1 GLU 1 1.535 7.372 -17.247 2 H2 GLU 1 HT2 GLU 1 1.099 8.212 -15.838 3 H3 GLU 1 HT3 GLU 1 0.271 6.794 -16.269 4 HA GLU 1 HA GLU 1 2.798 5.941 -16.195 5 HB2 GLU 1 HB2 GLU 1 2.377 8.041 -13.956 6 HB3 GLU 1 HB1 GLU 1 3.617 6.734 -13.839 7 HG2 GLU 1 HG2 GLU 1 4.752 7.605 -15.929 8 HG3 GLU 1 HG1 GLU 1 3.521 8.923 -16.044 9 H MET 2 HN MET 2 2.431 3.860 -15.548 10 HA MET 2 HA MET 2 0.593 3.414 -13.278 11 HB2 MET 2 HB2 MET 2 0.837 1.722 -15.847 12 HB3 MET 2 HB1 MET 2 -0.113 1.246 -14.393 13 HG2 MET 2 HG2 MET 2 -1.608 3.241 -14.725 14 HG3 MET 2 HG1 MET 2 -0.661 3.712 -16.177 15 HE1 MET 2 HE1 MET 2 -3.748 3.449 -16.192 16 HE2 MET 2 HE2 MET 2 -4.017 2.604 -17.756 17 HE3 MET 2 HE3 MET 2 -2.740 3.860 -17.624 18 H ARG 3 HN ARG 3 1.183 1.620 -11.920 19 HA ARG 3 HA ARG 3 4.014 1.004 -12.036 20 HB2 ARG 3 HB2 ARG 3 1.877 0.263 -9.941 21 HB3 ARG 3 HB1 ARG 3 3.636 -0.067 -9.762 22 HG2 ARG 3 HG2 ARG 3 2.374 2.735 -10.022 23 HG3 ARG 3 HG1 ARG 3 2.824 1.934 -8.478 24 HD2 ARG 3 HD2 ARG 3 5.256 1.759 -9.384 25 HD3 ARG 3 HD1 ARG 3 4.735 2.824 -10.761 26 HE ARG 3 HE ARG 3 3.939 4.106 -8.299 27 HH11 ARG 3 HH11 ARG 3 6.963 3.248 -10.078 28 HH12 ARG 3 HH12 ARG 3 7.893 4.531 -9.381 29 HH21 ARG 3 HH21 ARG 3 5.241 5.822 -7.385 30 HH22 ARG 3 HH22 ARG 3 6.904 6.007 -7.835 31 H LEU 4 HN LEU 4 1.186 -0.418 -13.170 32 HA LEU 4 HA LEU 4 2.198 -3.125 -12.899 33 HB2 LEU 4 HB2 LEU 4 -0.280 -1.913 -14.224 34 HB3 LEU 4 HB1 LEU 4 0.106 -3.679 -14.167 35 HG LEU 4 HG LEU 4 0.468 -2.944 -11.523 36 HD11 LEU 4 HD11 LEU 4 -1.746 -1.113 -12.578 37 HD12 LEU 4 HD12 LEU 4 -0.336 -0.731 -11.501 38 HD13 LEU 4 HD13 LEU 4 -1.730 -1.699 -10.867 39 HD21 LEU 4 HD21 LEU 4 -1.578 -4.256 -11.063 40 HD22 LEU 4 HD22 LEU 4 -0.655 -4.988 -12.442 41 HD23 LEU 4 HD23 LEU 4 -2.147 -4.014 -12.761 42 H SER 5 HN SER 5 1.987 -0.455 -15.195 43 HA SER 5 HA SER 5 2.850 -2.077 -17.356 44 HB2 SER 5 HB2 SER 5 2.871 0.992 -17.185 45 HB3 SER 5 HB1 SER 5 3.163 -0.017 -18.662 46 HG SER 5 HG SER 5 0.976 -0.929 -17.946 47 H LYS 6 HN LYS 6 4.266 -0.630 -14.511 48 HA LYS 6 HA LYS 6 6.833 -0.390 -15.697 49 HB2 LYS 6 HB2 LYS 6 6.115 1.277 -14.013 50 HB3 LYS 6 HB1 LYS 6 5.837 -0.034 -12.838 51 HG2 LYS 6 HG2 LYS 6 8.656 0.027 -13.874 52 HG3 LYS 6 HG1 LYS 6 8.158 1.549 -13.053 53 HD2 LYS 6 HD2 LYS 6 7.478 0.298 -11.032 54 HD3 LYS 6 HD1 LYS 6 7.801 -1.272 -11.849 55 HE2 LYS 6 HE2 LYS 6 10.266 -0.698 -11.981 56 HE3 LYS 6 HE1 LYS 6 9.941 0.894 -11.179 57 HZ1 LYS 6 HZ1 LYS 6 8.972 -0.474 -9.320 58 HZ2 LYS 6 HZ2 LYS 6 10.655 -0.554 -9.532 59 HZ3 LYS 6 HZ3 LYS 6 9.671 -1.837 -10.052 60 H PHE 7 HN PHE 7 4.892 -2.605 -13.700 61 HA PHE 7 HA PHE 7 6.886 -4.346 -12.808 62 HB2 PHE 7 HB2 PHE 7 3.962 -4.304 -12.774 63 HB3 PHE 7 HB1 PHE 7 4.488 -5.938 -13.261 64 HD1 PHE 7 HD1 PHE 7 3.931 -3.721 -10.449 65 HD2 PHE 7 HD2 PHE 7 6.104 -7.088 -11.904 66 HE1 PHE 7 HE1 PHE 7 4.347 -4.485 -8.155 67 HE2 PHE 7 HE2 PHE 7 6.506 -7.828 -9.685 68 HZ PHE 7 HZ PHE 7 5.638 -6.544 -7.742 69 H PHE 8 HN PHE 8 4.544 -4.712 -15.429 70 HA PHE 8 HA PHE 8 5.661 -7.154 -16.212 71 HB2 PHE 8 HB2 PHE 8 4.570 -5.496 -18.349 72 HB3 PHE 8 HB1 PHE 8 4.227 -7.189 -17.917 73 HD1 PHE 8 HD1 PHE 8 3.203 -4.318 -18.711 74 HD2 PHE 8 HD2 PHE 8 2.588 -7.183 -15.639 75 HE1 PHE 8 HE1 PHE 8 1.119 -3.500 -18.440 76 HE2 PHE 8 HE2 PHE 8 0.372 -6.314 -15.340 77 HZ PHE 8 HZ PHE 8 -0.409 -4.476 -16.754 78 H ARG 9 HN ARG 9 6.376 -3.807 -16.868 79 HA ARG 9 HA ARG 9 7.294 -4.004 -19.401 80 HB2 ARG 9 HB2 ARG 9 6.916 -2.120 -17.600 81 HB3 ARG 9 HB1 ARG 9 8.619 -2.341 -17.194 82 HG2 ARG 9 HG2 ARG 9 9.241 -1.635 -19.520 83 HG3 ARG 9 HG1 ARG 9 7.488 -1.432 -19.899 84 HD2 ARG 9 HD2 ARG 9 7.298 0.341 -18.033 85 HD3 ARG 9 HD1 ARG 9 9.087 0.168 -17.739 86 HE ARG 9 HE ARG 9 8.759 0.686 -20.544 87 HH11 ARG 9 HH11 ARG 9 8.205 2.394 -17.410 88 HH12 ARG 9 HH12 ARG 9 8.418 3.974 -18.087 89 HH21 ARG 9 HH21 ARG 9 9.041 2.848 -21.398 90 HH22 ARG 9 HH22 ARG 9 8.895 4.232 -20.367 91 H ASP 10 HN ASP 10 8.916 -4.580 -16.307 92 HA ASP 10 HA ASP 10 11.325 -5.329 -17.590 93 HB2 ASP 10 HB2 ASP 10 10.572 -5.318 -14.587 94 HB3 ASP 10 HB1 ASP 10 12.214 -5.722 -15.219 95 H ALA 11 HN ALA 11 8.347 -6.908 -17.043 96 HA ALA 11 HA ALA 11 9.646 -9.458 -16.366 97 HB1 ALA 11 HB1 ALA 11 7.503 -10.279 -15.746 98 HB2 ALA 11 HB2 ALA 11 6.656 -9.055 -16.778 99 HB3 ALA 11 HB3 ALA 11 7.447 -8.547 -15.238 100 H ILE 12 HN ILE 12 7.599 -7.994 -18.875 101 HA ILE 12 HA ILE 12 7.682 -10.416 -20.472 102 HB ILE 12 HB ILE 12 6.426 -7.675 -20.992 103 HG12 ILE 12 HG12 ILE 12 5.196 -10.138 -19.610 104 HG13 ILE 12 HG11 ILE 12 5.610 -8.529 -18.899 105 HG21 ILE 12 HG21 ILE 12 4.889 -9.039 -22.610 106 HG22 ILE 12 HG22 ILE 12 5.924 -10.481 -22.311 107 HG23 ILE 12 HG23 ILE 12 6.611 -9.022 -23.114 108 HD11 ILE 12 HD11 ILE 12 3.901 -7.417 -20.388 109 HD12 ILE 12 HD12 ILE 12 3.165 -8.643 -19.285 110 HD13 ILE 12 HD13 ILE 12 3.402 -9.038 -21.026 111 H LEU 13 HN LEU 13 8.884 -7.058 -20.379 112 HA LEU 13 HA LEU 13 9.729 -7.256 -23.123 113 HB2 LEU 13 HB2 LEU 13 10.062 -4.940 -21.148 114 HB3 LEU 13 HB1 LEU 13 10.207 -4.840 -22.956 115 HG LEU 13 HG LEU 13 7.711 -5.295 -21.214 116 HD11 LEU 13 HD11 LEU 13 8.085 -2.992 -23.223 117 HD12 LEU 13 HD12 LEU 13 8.698 -2.930 -21.527 118 HD13 LEU 13 HD13 LEU 13 6.931 -3.145 -21.837 119 HD21 LEU 13 HD21 LEU 13 7.876 -5.590 -24.298 120 HD22 LEU 13 HD22 LEU 13 6.346 -5.063 -23.493 121 HD23 LEU 13 HD23 LEU 13 7.065 -6.659 -23.091 122 H GLN 14 HN GLN 14 11.110 -8.207 -20.164 123 HA GLN 14 HA GLN 14 13.775 -7.371 -21.148 124 HB2 GLN 14 HB2 GLN 14 12.810 -8.683 -18.594 125 HB3 GLN 14 HB1 GLN 14 14.552 -8.822 -19.069 126 HG2 GLN 14 HG2 GLN 14 14.302 -6.158 -19.427 127 HG3 GLN 14 HG1 GLN 14 12.903 -6.385 -18.337 128 HE21 GLN 14 HE21 GLN 14 13.396 -7.564 -16.142 129 HE22 GLN 14 HE22 GLN 14 14.948 -7.299 -15.418 130 H ARG 15 HN ARG 15 11.419 -9.743 -21.584 131 HA ARG 15 HA ARG 15 13.264 -11.897 -22.146 132 HB2 ARG 15 HB2 ARG 15 10.366 -11.609 -23.107 133 HB3 ARG 15 HB1 ARG 15 11.303 -13.135 -22.899 134 HG2 ARG 15 HG2 ARG 15 11.367 -12.726 -20.409 135 HG3 ARG 15 HG1 ARG 15 10.437 -11.201 -20.673 136 HD2 ARG 15 HD2 ARG 15 8.861 -12.876 -19.924 137 HD3 ARG 15 HD1 ARG 15 8.550 -12.608 -21.690 138 HE ARG 15 HE ARG 15 10.408 -14.823 -21.364 139 HH11 ARG 15 HH11 ARG 15 6.920 -14.022 -20.868 140 HH12 ARG 15 HH12 ARG 15 6.383 -15.657 -21.065 141 HH21 ARG 15 HH21 ARG 15 9.624 -17.010 -21.624 142 HH22 ARG 15 HH22 ARG 15 7.933 -17.367 -21.498 143 H LYS 16 HN LYS 16 11.348 -9.438 -23.932 144 HA LYS 16 HA LYS 16 12.898 -10.054 -26.360 145 HB2 LYS 16 HB2 LYS 16 10.185 -8.746 -25.759 146 HB3 LYS 16 HB1 LYS 16 11.037 -8.350 -27.291 147 HG2 LYS 16 HG2 LYS 16 9.540 -10.079 -27.871 148 HG3 LYS 16 HG1 LYS 16 11.132 -10.891 -27.774 149 HD2 LYS 16 HD2 LYS 16 10.524 -11.863 -25.522 150 HD3 LYS 16 HD1 LYS 16 8.975 -10.949 -25.545 151 HE2 LYS 16 HE2 LYS 16 8.408 -13.222 -26.183 152 HE3 LYS 16 HE1 LYS 16 8.369 -12.284 -27.729 153 HZ1 LYS 16 HZ1 LYS 16 10.841 -13.664 -26.872 154 HZ2 LYS 16 HZ2 LYS 16 10.310 -13.248 -28.431 155 HZ3 LYS 16 HZ3 LYS 16 9.575 -14.533 -27.598 156 H LYS 17 HN LYS 17 14.850 -8.893 -26.173 157 HA LYS 17 HA LYS 17 14.627 -6.000 -26.165 158 HB2 LYS 17 HB2 LYS 17 15.488 -7.476 -23.692 159 HB3 LYS 17 HB1 LYS 17 16.777 -6.382 -24.280 160 HG2 LYS 17 HG2 LYS 17 13.935 -5.253 -23.999 161 HG3 LYS 17 HG1 LYS 17 14.864 -5.583 -22.500 162 HD2 LYS 17 HD2 LYS 17 16.746 -4.116 -23.405 163 HD3 LYS 17 HD1 LYS 17 15.728 -3.747 -24.842 164 HE2 LYS 17 HE2 LYS 17 13.995 -2.674 -23.373 165 HE3 LYS 17 HE1 LYS 17 14.958 -3.099 -21.899 166 HZ1 LYS 17 HZ1 LYS 17 16.493 -1.692 -23.874 167 HZ2 LYS 17 HZ2 LYS 17 16.256 -1.369 -22.223 168 HZ3 LYS 17 HZ3 LYS 17 15.130 -0.816 -23.366 Start of MODEL 5 1 H1 GLU 1 HT1 GLU 1 1.229 7.028 -17.252 2 H2 GLU 1 HT2 GLU 1 1.496 8.339 -16.207 3 H3 GLU 1 HT3 GLU 1 0.258 7.226 -15.872 4 HA GLU 1 HA GLU 1 2.827 6.017 -16.173 5 HB2 GLU 1 HB2 GLU 1 2.320 8.054 -13.895 6 HB3 GLU 1 HB1 GLU 1 3.556 6.746 -13.763 7 HG2 GLU 1 HG2 GLU 1 4.770 7.669 -15.785 8 HG3 GLU 1 HG1 GLU 1 3.541 8.985 -15.919 9 H MET 2 HN MET 2 2.466 3.917 -15.590 10 HA MET 2 HA MET 2 0.552 3.392 -13.401 11 HB2 MET 2 HB2 MET 2 0.904 1.769 -16.003 12 HB3 MET 2 HB1 MET 2 -0.085 1.243 -14.591 13 HG2 MET 2 HG2 MET 2 -1.597 3.226 -14.916 14 HG3 MET 2 HG1 MET 2 -0.613 3.753 -16.322 15 HE1 MET 2 HE1 MET 2 -3.722 3.405 -16.382 16 HE2 MET 2 HE2 MET 2 -3.940 2.631 -17.989 17 HE3 MET 2 HE3 MET 2 -2.709 3.924 -17.775 18 H ARG 3 HN ARG 3 1.107 1.590 -12.060 19 HA ARG 3 HA ARG 3 3.944 0.981 -12.082 20 HB2 ARG 3 HB2 ARG 3 1.732 0.231 -10.069 21 HB3 ARG 3 HB1 ARG 3 3.482 -0.125 -9.835 22 HG2 ARG 3 HG2 ARG 3 2.283 2.703 -10.130 23 HG3 ARG 3 HG1 ARG 3 2.623 1.882 -8.567 24 HD2 ARG 3 HD2 ARG 3 5.098 1.661 -9.318 25 HD3 ARG 3 HD1 ARG 3 4.689 2.723 -10.735 26 HE ARG 3 HE ARG 3 3.760 4.044 -8.345 27 HH11 ARG 3 HH11 ARG 3 6.880 3.092 -9.888 28 HH12 ARG 3 HH12 ARG 3 7.783 4.373 -9.153 29 HH21 ARG 3 HH21 ARG 3 5.032 5.750 -7.374 30 HH22 ARG 3 HH22 ARG 3 6.725 5.892 -7.714 31 H LEU 4 HN LEU 4 1.157 -0.439 -13.321 32 HA LEU 4 HA LEU 4 2.185 -3.140 -13.039 33 HB2 LEU 4 HB2 LEU 4 -0.273 -1.948 -14.410 34 HB3 LEU 4 HB1 LEU 4 0.135 -3.711 -14.366 35 HG LEU 4 HG LEU 4 0.435 -3.007 -11.708 36 HD11 LEU 4 HD11 LEU 4 -1.788 -1.196 -12.772 37 HD12 LEU 4 HD12 LEU 4 -0.381 -0.795 -11.697 38 HD13 LEU 4 HD13 LEU 4 -1.760 -1.784 -11.062 39 HD21 LEU 4 HD21 LEU 4 -2.156 -4.075 -12.995 40 HD22 LEU 4 HD22 LEU 4 -1.601 -4.343 -11.297 41 HD23 LEU 4 HD23 LEU 4 -0.664 -5.048 -12.679 42 H SER 5 HN SER 5 2.029 -0.456 -15.313 43 HA SER 5 HA SER 5 2.945 -2.063 -17.459 44 HB2 SER 5 HB2 SER 5 2.987 0.998 -17.251 45 HB3 SER 5 HB1 SER 5 3.322 0.004 -18.730 46 HG SER 5 HG SER 5 1.070 -0.874 -17.947 47 H LYS 6 HN LYS 6 4.279 -0.628 -14.568 48 HA LYS 6 HA LYS 6 6.888 -0.401 -15.655 49 HB2 LYS 6 HB2 LYS 6 6.108 1.252 -13.981 50 HB3 LYS 6 HB1 LYS 6 5.789 -0.072 -12.829 51 HG2 LYS 6 HG2 LYS 6 8.641 -0.003 -13.771 52 HG3 LYS 6 HG1 LYS 6 8.121 1.511 -12.951 53 HD2 LYS 6 HD2 LYS 6 7.386 0.251 -10.961 54 HD3 LYS 6 HD1 LYS 6 7.704 -1.316 -11.784 55 HE2 LYS 6 HE2 LYS 6 10.182 -0.775 -11.854 56 HE3 LYS 6 HE1 LYS 6 9.859 0.808 -11.032 57 HZ1 LYS 6 HZ1 LYS 6 9.968 -1.875 -9.961 58 HZ2 LYS 6 HZ2 LYS 6 8.656 -0.954 -9.399 59 HZ3 LYS 6 HZ3 LYS 6 10.241 -0.373 -9.218 60 H PHE 7 HN PHE 7 4.865 -2.630 -13.760 61 HA PHE 7 HA PHE 7 6.817 -4.383 -12.799 62 HB2 PHE 7 HB2 PHE 7 3.900 -4.316 -12.866 63 HB3 PHE 7 HB1 PHE 7 4.422 -5.950 -13.351 64 HD1 PHE 7 HD1 PHE 7 3.802 -3.750 -10.533 65 HD2 PHE 7 HD2 PHE 7 5.972 -7.134 -11.954 66 HE1 PHE 7 HE1 PHE 7 4.129 -4.546 -8.235 67 HE2 PHE 7 HE2 PHE 7 6.291 -7.904 -9.732 68 HZ PHE 7 HZ PHE 7 5.376 -6.628 -7.802 69 H PHE 8 HN PHE 8 4.582 -4.710 -15.517 70 HA PHE 8 HA PHE 8 5.717 -7.161 -16.266 71 HB2 PHE 8 HB2 PHE 8 4.697 -5.508 -18.435 72 HB3 PHE 8 HB1 PHE 8 4.324 -7.196 -17.998 73 HD1 PHE 8 HD1 PHE 8 3.373 -4.320 -18.843 74 HD2 PHE 8 HD2 PHE 8 2.604 -7.156 -15.779 75 HE1 PHE 8 HE1 PHE 8 1.301 -3.457 -18.647 76 HE2 PHE 8 HE2 PHE 8 0.390 -6.245 -15.559 77 HZ PHE 8 HZ PHE 8 -0.303 -4.394 -17.008 78 H ARG 9 HN ARG 9 6.500 -3.823 -16.835 79 HA ARG 9 HA ARG 9 7.490 -3.992 -19.357 80 HB2 ARG 9 HB2 ARG 9 7.081 -2.143 -17.501 81 HB3 ARG 9 HB1 ARG 9 8.790 -2.365 -17.112 82 HG2 ARG 9 HG2 ARG 9 9.405 -1.603 -19.407 83 HG3 ARG 9 HG1 ARG 9 7.651 -1.437 -19.808 84 HD2 ARG 9 HD2 ARG 9 7.407 0.291 -17.891 85 HD3 ARG 9 HD1 ARG 9 9.208 0.179 -17.635 86 HE ARG 9 HE ARG 9 8.823 0.726 -20.417 87 HH11 ARG 9 HH11 ARG 9 8.157 2.354 -17.265 88 HH12 ARG 9 HH12 ARG 9 8.295 3.954 -17.914 89 HH21 ARG 9 HH21 ARG 9 9.001 2.907 -21.241 90 HH22 ARG 9 HH22 ARG 9 8.779 4.269 -20.194 91 H ASP 10 HN ASP 10 8.972 -4.622 -16.215 92 HA ASP 10 HA ASP 10 11.445 -5.406 -17.375 93 HB2 ASP 10 HB2 ASP 10 10.511 -5.410 -14.420 94 HB3 ASP 10 HB1 ASP 10 12.181 -5.820 -14.953 95 H ALA 11 HN ALA 11 8.402 -6.927 -17.024 96 HA ALA 11 HA ALA 11 9.633 -9.511 -16.346 97 HB1 ALA 11 HB1 ALA 11 7.400 -8.621 -15.272 98 HB2 ALA 11 HB2 ALA 11 7.465 -10.336 -15.842 99 HB3 ALA 11 HB3 ALA 11 6.666 -9.071 -16.859 100 H ILE 12 HN ILE 12 7.643 -7.992 -18.878 101 HA ILE 12 HA ILE 12 7.798 -10.374 -20.517 102 HB ILE 12 HB ILE 12 6.615 -7.606 -21.078 103 HG12 ILE 12 HG12 ILE 12 5.246 -10.057 -19.808 104 HG13 ILE 12 HG11 ILE 12 5.687 -8.484 -19.032 105 HG21 ILE 12 HG21 ILE 12 6.866 -8.894 -23.209 106 HG22 ILE 12 HG22 ILE 12 5.130 -8.998 -22.772 107 HG23 ILE 12 HG23 ILE 12 6.218 -10.402 -22.460 108 HD11 ILE 12 HD11 ILE 12 4.107 -7.259 -20.557 109 HD12 ILE 12 HD12 ILE 12 3.258 -8.501 -19.559 110 HD13 ILE 12 HD13 ILE 12 3.590 -8.829 -21.300 111 H LEU 13 HN LEU 13 9.043 -7.033 -20.321 112 HA LEU 13 HA LEU 13 10.012 -7.208 -23.008 113 HB2 LEU 13 HB2 LEU 13 10.362 -4.945 -20.994 114 HB3 LEU 13 HB1 LEU 13 10.588 -4.826 -22.793 115 HG LEU 13 HG LEU 13 8.011 -5.204 -21.162 116 HD11 LEU 13 HD11 LEU 13 8.546 -2.904 -23.137 117 HD12 LEU 13 HD12 LEU 13 9.112 -2.875 -21.424 118 HD13 LEU 13 HD13 LEU 13 7.346 -3.018 -21.785 119 HD21 LEU 13 HD21 LEU 13 8.276 -5.453 -24.243 120 HD22 LEU 13 HD22 LEU 13 6.736 -4.908 -23.471 121 HD23 LEU 13 HD23 LEU 13 7.404 -6.529 -23.085 122 H GLN 14 HN GLN 14 11.152 -8.317 -20.077 123 HA GLN 14 HA GLN 14 13.917 -7.582 -20.778 124 HB2 GLN 14 HB2 GLN 14 12.547 -8.857 -18.420 125 HB3 GLN 14 HB1 GLN 14 14.257 -9.352 -18.735 126 HG2 GLN 14 HG2 GLN 14 14.636 -6.691 -18.979 127 HG3 GLN 14 HG1 GLN 14 13.077 -6.616 -18.090 128 HE21 GLN 14 HE21 GLN 14 16.373 -8.243 -17.906 129 HE22 GLN 14 HE22 GLN 14 16.490 -8.205 -16.179 130 H ARG 15 HN ARG 15 11.472 -9.774 -21.584 131 HA ARG 15 HA ARG 15 13.345 -11.910 -22.296 132 HB2 ARG 15 HB2 ARG 15 10.372 -11.704 -23.016 133 HB3 ARG 15 HB1 ARG 15 11.379 -13.195 -22.889 134 HG2 ARG 15 HG2 ARG 15 11.540 -12.919 -20.431 135 HG3 ARG 15 HG1 ARG 15 10.679 -11.330 -20.545 136 HD2 ARG 15 HD2 ARG 15 8.600 -12.342 -21.177 137 HD3 ARG 15 HD1 ARG 15 9.359 -13.968 -21.489 138 HE ARG 15 HE ARG 15 9.884 -13.307 -18.753 139 HH11 ARG 15 HH11 ARG 15 6.999 -13.967 -20.825 140 HH12 ARG 15 HH12 ARG 15 6.027 -14.541 -19.511 141 HH21 ARG 15 HH21 ARG 15 8.515 -14.086 -17.016 142 HH22 ARG 15 HH22 ARG 15 6.894 -14.607 -17.334 143 H LYS 16 HN LYS 16 11.137 -9.475 -23.862 144 HA LYS 16 HA LYS 16 12.690 -9.927 -26.325 145 HB2 LYS 16 HB2 LYS 16 10.102 -8.277 -26.200 146 HB3 LYS 16 HB1 LYS 16 10.878 -9.052 -27.622 147 HG2 LYS 16 HG2 LYS 16 9.367 -10.441 -25.328 148 HG3 LYS 16 HG1 LYS 16 8.810 -10.220 -27.012 149 HD2 LYS 16 HD2 LYS 16 10.910 -11.707 -27.675 150 HD3 LYS 16 HD1 LYS 16 10.994 -12.116 -25.914 151 HE2 LYS 16 HE2 LYS 16 8.644 -13.024 -26.006 152 HE3 LYS 16 HE1 LYS 16 8.546 -12.618 -27.770 153 HZ1 LYS 16 HZ1 LYS 16 9.552 -14.913 -26.579 154 HZ2 LYS 16 HZ2 LYS 16 10.892 -14.107 -27.240 155 HZ3 LYS 16 HZ3 LYS 16 9.562 -14.490 -28.224 156 H LYS 17 HN LYS 17 14.455 -8.651 -26.305 157 HA LYS 17 HA LYS 17 14.065 -5.777 -26.179 158 HB2 LYS 17 HB2 LYS 17 15.141 -7.223 -23.817 159 HB3 LYS 17 HB1 LYS 17 16.437 -6.206 -24.518 160 HG2 LYS 17 HG2 LYS 17 13.674 -4.950 -23.990 161 HG3 LYS 17 HG1 LYS 17 14.752 -5.289 -22.597 162 HD2 LYS 17 HD2 LYS 17 16.577 -3.915 -23.751 163 HD3 LYS 17 HD1 LYS 17 15.394 -3.506 -25.045 164 HE2 LYS 17 HE2 LYS 17 13.897 -2.393 -23.339 165 HE3 LYS 17 HE1 LYS 17 15.072 -2.825 -22.027 166 HZ1 LYS 17 HZ1 LYS 17 15.714 -0.743 -22.532 167 HZ2 LYS 17 HZ2 LYS 17 15.274 -0.832 -24.170 168 HZ3 LYS 17 HZ3 LYS 17 16.703 -1.577 -23.632 Start of MODEL 6 1 H1 GLU 1 HT1 GLU 1 3.352 7.874 -14.585 2 H2 GLU 1 HT2 GLU 1 3.767 6.426 -15.370 3 H3 GLU 1 HT3 GLU 1 3.264 6.398 -13.748 4 HA GLU 1 HA GLU 1 1.187 7.588 -14.807 5 HB2 GLU 1 HB2 GLU 1 2.384 5.767 -16.999 6 HB3 GLU 1 HB1 GLU 1 0.616 6.120 -16.937 7 HG2 GLU 1 HG2 GLU 1 1.074 8.592 -17.159 8 HG3 GLU 1 HG1 GLU 1 2.851 8.266 -17.206 9 H MET 2 HN MET 2 2.285 4.124 -15.409 10 HA MET 2 HA MET 2 0.390 3.290 -13.299 11 HB2 MET 2 HB2 MET 2 0.885 1.895 -16.007 12 HB3 MET 2 HB1 MET 2 -0.049 1.179 -14.641 13 HG2 MET 2 HG2 MET 2 -1.729 3.039 -14.808 14 HG3 MET 2 HG1 MET 2 -0.805 3.759 -16.170 15 HE1 MET 2 HE1 MET 2 -3.882 3.122 -16.219 16 HE2 MET 2 HE2 MET 2 -4.052 2.486 -17.891 17 HE3 MET 2 HE3 MET 2 -2.946 3.865 -17.563 18 H ARG 3 HN ARG 3 1.093 1.584 -11.988 19 HA ARG 3 HA ARG 3 3.952 1.069 -12.088 20 HB2 ARG 3 HB2 ARG 3 1.870 0.201 -9.982 21 HB3 ARG 3 HB1 ARG 3 3.658 0.063 -9.808 22 HG2 ARG 3 HG2 ARG 3 2.034 2.675 -10.025 23 HG3 ARG 3 HG1 ARG 3 2.741 1.976 -8.528 24 HD2 ARG 3 HD2 ARG 3 5.083 2.175 -9.674 25 HD3 ARG 3 HD1 ARG 3 4.258 3.138 -10.975 26 HE ARG 3 HE ARG 3 3.523 4.257 -8.409 27 HH11 ARG 3 HH11 ARG 3 6.418 3.961 -10.546 28 HH12 ARG 3 HH12 ARG 3 7.152 5.421 -9.971 29 HH21 ARG 3 HH21 ARG 3 4.563 6.221 -7.670 30 HH22 ARG 3 HH22 ARG 3 6.089 6.712 -8.325 31 H LEU 4 HN LEU 4 1.182 -0.409 -13.265 32 HA LEU 4 HA LEU 4 2.236 -3.099 -12.981 33 HB2 LEU 4 HB2 LEU 4 -0.221 -1.965 -14.409 34 HB3 LEU 4 HB1 LEU 4 0.203 -3.717 -14.271 35 HG LEU 4 HG LEU 4 0.424 -2.885 -11.639 36 HD11 LEU 4 HD11 LEU 4 -1.811 -1.175 -12.857 37 HD12 LEU 4 HD12 LEU 4 -0.436 -0.679 -11.783 38 HD13 LEU 4 HD13 LEU 4 -1.802 -1.663 -11.116 39 HD21 LEU 4 HD21 LEU 4 -1.619 -4.222 -11.232 40 HD22 LEU 4 HD22 LEU 4 -0.620 -4.984 -12.537 41 HD23 LEU 4 HD23 LEU 4 -2.109 -4.051 -12.963 42 H SER 5 HN SER 5 2.054 -0.411 -15.263 43 HA SER 5 HA SER 5 2.980 -2.002 -17.422 44 HB2 SER 5 HB2 SER 5 2.992 1.062 -17.203 45 HB3 SER 5 HB1 SER 5 3.321 0.077 -18.688 46 HG SER 5 HG SER 5 0.982 -0.573 -17.443 47 H LYS 6 HN LYS 6 4.314 -0.594 -14.524 48 HA LYS 6 HA LYS 6 6.915 -0.337 -15.630 49 HB2 LYS 6 HB2 LYS 6 6.161 1.311 -13.954 50 HB3 LYS 6 HB1 LYS 6 5.814 -0.008 -12.807 51 HG2 LYS 6 HG2 LYS 6 8.679 0.029 -13.710 52 HG3 LYS 6 HG1 LYS 6 8.161 1.549 -12.903 53 HD2 LYS 6 HD2 LYS 6 7.346 0.267 -10.933 54 HD3 LYS 6 HD1 LYS 6 7.755 -1.284 -11.744 55 HE2 LYS 6 HE2 LYS 6 10.206 -0.675 -11.705 56 HE3 LYS 6 HE1 LYS 6 9.808 0.918 -10.940 57 HZ1 LYS 6 HZ1 LYS 6 8.999 -1.657 -9.712 58 HZ2 LYS 6 HZ2 LYS 6 9.155 -0.123 -8.997 59 HZ3 LYS 6 HZ3 LYS 6 10.541 -0.984 -9.468 60 H PHE 7 HN PHE 7 4.916 -2.587 -13.731 61 HA PHE 7 HA PHE 7 6.889 -4.340 -12.808 62 HB2 PHE 7 HB2 PHE 7 3.971 -4.279 -12.826 63 HB3 PHE 7 HB1 PHE 7 4.494 -5.910 -13.323 64 HD1 PHE 7 HD1 PHE 7 3.955 -3.693 -10.495 65 HD2 PHE 7 HD2 PHE 7 6.042 -7.108 -11.960 66 HE1 PHE 7 HE1 PHE 7 4.339 -4.481 -8.203 67 HE2 PHE 7 HE2 PHE 7 6.415 -7.873 -9.746 68 HZ PHE 7 HZ PHE 7 5.571 -6.578 -7.796 69 H PHE 8 HN PHE 8 4.604 -4.664 -15.481 70 HA PHE 8 HA PHE 8 5.711 -7.116 -16.262 71 HB2 PHE 8 HB2 PHE 8 4.676 -5.428 -18.402 72 HB3 PHE 8 HB1 PHE 8 4.307 -7.124 -17.992 73 HD1 PHE 8 HD1 PHE 8 3.324 -4.247 -18.790 74 HD2 PHE 8 HD2 PHE 8 2.629 -7.109 -15.732 75 HE1 PHE 8 HE1 PHE 8 1.249 -3.400 -18.550 76 HE2 PHE 8 HE2 PHE 8 0.417 -6.215 -15.466 77 HZ PHE 8 HZ PHE 8 -0.318 -4.361 -16.891 78 H ARG 9 HN ARG 9 6.486 -3.779 -16.847 79 HA ARG 9 HA ARG 9 7.436 -3.942 -19.372 80 HB2 ARG 9 HB2 ARG 9 7.002 -2.082 -17.612 81 HB3 ARG 9 HB1 ARG 9 8.653 -2.353 -17.048 82 HG2 ARG 9 HG2 ARG 9 9.498 -1.638 -19.310 83 HG3 ARG 9 HG1 ARG 9 7.787 -1.327 -19.801 84 HD2 ARG 9 HD2 ARG 9 7.537 0.393 -17.923 85 HD3 ARG 9 HD1 ARG 9 9.263 0.080 -17.429 86 HE ARG 9 HE ARG 9 9.210 0.755 -20.251 87 HH11 ARG 9 HH11 ARG 9 8.715 2.296 -17.023 88 HH12 ARG 9 HH12 ARG 9 9.219 3.866 -17.552 89 HH21 ARG 9 HH21 ARG 9 9.888 2.894 -20.905 90 HH22 ARG 9 HH22 ARG 9 9.891 4.207 -19.776 91 H ASP 10 HN ASP 10 9.017 -4.548 -16.264 92 HA ASP 10 HA ASP 10 11.442 -5.347 -17.491 93 HB2 ASP 10 HB2 ASP 10 10.574 -5.289 -14.518 94 HB3 ASP 10 HB1 ASP 10 12.215 -5.799 -15.059 95 H ALA 11 HN ALA 11 8.414 -6.875 -17.061 96 HA ALA 11 HA ALA 11 9.657 -9.457 -16.404 97 HB1 ALA 11 HB1 ALA 11 6.684 -9.017 -16.883 98 HB2 ALA 11 HB2 ALA 11 7.436 -8.564 -15.307 99 HB3 ALA 11 HB3 ALA 11 7.497 -10.281 -15.873 100 H ILE 12 HN ILE 12 7.623 -7.948 -18.911 101 HA ILE 12 HA ILE 12 7.737 -10.335 -20.539 102 HB ILE 12 HB ILE 12 6.531 -7.575 -21.075 103 HG12 ILE 12 HG12 ILE 12 5.213 -10.032 -19.762 104 HG13 ILE 12 HG11 ILE 12 5.657 -8.450 -19.005 105 HG21 ILE 12 HG21 ILE 12 6.107 -10.375 -22.444 106 HG22 ILE 12 HG22 ILE 12 6.740 -8.871 -23.212 107 HG23 ILE 12 HG23 ILE 12 5.014 -8.970 -22.734 108 HD11 ILE 12 HD11 ILE 12 3.216 -8.498 -19.474 109 HD12 ILE 12 HD12 ILE 12 3.509 -8.829 -21.220 110 HD13 ILE 12 HD13 ILE 12 4.027 -7.250 -20.495 111 H LEU 13 HN LEU 13 8.962 -6.993 -20.407 112 HA LEU 13 HA LEU 13 9.846 -7.154 -23.121 113 HB2 LEU 13 HB2 LEU 13 10.259 -4.914 -21.091 114 HB3 LEU 13 HB1 LEU 13 10.429 -4.771 -22.895 115 HG LEU 13 HG LEU 13 7.903 -5.171 -21.188 116 HD11 LEU 13 HD11 LEU 13 7.208 -2.979 -21.782 117 HD12 LEU 13 HD12 LEU 13 8.392 -2.844 -23.145 118 HD13 LEU 13 HD13 LEU 13 8.975 -2.840 -21.437 119 HD21 LEU 13 HD21 LEU 13 6.565 -4.837 -23.469 120 HD22 LEU 13 HD22 LEU 13 7.218 -6.469 -23.093 121 HD23 LEU 13 HD23 LEU 13 8.079 -5.409 -24.274 122 H GLN 14 HN GLN 14 11.072 -8.288 -20.249 123 HA GLN 14 HA GLN 14 13.825 -7.557 -21.014 124 HB2 GLN 14 HB2 GLN 14 12.492 -8.747 -18.593 125 HB3 GLN 14 HB1 GLN 14 14.187 -9.270 -18.927 126 HG2 GLN 14 HG2 GLN 14 14.597 -6.622 -19.243 127 HG3 GLN 14 HG1 GLN 14 13.055 -6.505 -18.328 128 HE21 GLN 14 HE21 GLN 14 16.309 -8.225 -18.160 129 HE22 GLN 14 HE22 GLN 14 16.466 -8.130 -16.440 130 H ARG 15 HN ARG 15 11.357 -9.801 -21.668 131 HA ARG 15 HA ARG 15 13.174 -12.012 -22.201 132 HB2 ARG 15 HB2 ARG 15 10.267 -11.674 -23.128 133 HB3 ARG 15 HB1 ARG 15 11.187 -13.217 -22.947 134 HG2 ARG 15 HG2 ARG 15 11.280 -12.886 -20.475 135 HG3 ARG 15 HG1 ARG 15 10.443 -11.291 -20.668 136 HD2 ARG 15 HD2 ARG 15 8.383 -12.301 -21.373 137 HD3 ARG 15 HD1 ARG 15 9.136 -13.947 -21.585 138 HE ARG 15 HE ARG 15 9.544 -13.185 -18.857 139 HH11 ARG 15 HH11 ARG 15 6.731 -13.878 -21.020 140 HH12 ARG 15 HH12 ARG 15 5.709 -14.412 -19.728 141 HH21 ARG 15 HH21 ARG 15 8.112 -13.910 -17.158 142 HH22 ARG 15 HH22 ARG 15 6.500 -14.429 -17.519 143 H LYS 16 HN LYS 16 11.253 -9.561 -24.079 144 HA LYS 16 HA LYS 16 12.977 -10.241 -26.370 145 HB2 LYS 16 HB2 LYS 16 10.552 -8.377 -26.589 146 HB3 LYS 16 HB1 LYS 16 11.351 -9.356 -27.863 147 HG2 LYS 16 HG2 LYS 16 9.524 -10.366 -25.601 148 HG3 LYS 16 HG1 LYS 16 9.125 -10.244 -27.339 149 HD2 LYS 16 HD2 LYS 16 11.195 -11.971 -27.614 150 HD3 LYS 16 HD1 LYS 16 10.892 -12.280 -25.856 151 HE2 LYS 16 HE2 LYS 16 8.517 -12.930 -26.369 152 HE3 LYS 16 HE1 LYS 16 8.782 -12.583 -28.127 153 HZ1 LYS 16 HZ1 LYS 16 9.078 -14.840 -27.906 154 HZ2 LYS 16 HZ2 LYS 16 9.941 -14.728 -26.448 155 HZ3 LYS 16 HZ3 LYS 16 10.673 -14.257 -27.906 156 H LYS 17 HN LYS 17 14.823 -9.101 -26.218 157 HA LYS 17 HA LYS 17 14.689 -6.225 -26.303 158 HB2 LYS 17 HB2 LYS 17 15.253 -7.532 -23.685 159 HB3 LYS 17 HB1 LYS 17 16.716 -6.660 -24.240 160 HG2 LYS 17 HG2 LYS 17 13.962 -5.255 -24.191 161 HG3 LYS 17 HG1 LYS 17 14.926 -5.427 -22.686 162 HD2 LYS 17 HD2 LYS 17 16.864 -4.238 -23.835 163 HD3 LYS 17 HD1 LYS 17 15.843 -4.023 -25.300 164 HE2 LYS 17 HE2 LYS 17 14.205 -2.641 -23.962 165 HE3 LYS 17 HE1 LYS 17 15.229 -2.860 -22.484 166 HZ1 LYS 17 HZ1 LYS 17 17.047 -1.918 -24.101 167 HZ2 LYS 17 HZ2 LYS 17 15.984 -0.899 -23.256 168 HZ3 LYS 17 HZ3 LYS 17 15.700 -1.253 -24.893 Start of MODEL 7 1 H1 GLU 1 HT1 GLU 1 0.350 6.658 -16.546 2 H2 GLU 1 HT2 GLU 1 1.616 7.553 -17.242 3 H3 GLU 1 HT3 GLU 1 0.876 8.098 -15.814 4 HA GLU 1 HA GLU 1 2.821 5.977 -16.235 5 HB2 GLU 1 HB2 GLU 1 2.301 8.118 -14.060 6 HB3 GLU 1 HB1 GLU 1 3.553 6.835 -13.856 7 HG2 GLU 1 HG2 GLU 1 4.756 7.646 -15.925 8 HG3 GLU 1 HG1 GLU 1 3.503 8.928 -16.157 9 H MET 2 HN MET 2 2.459 3.885 -15.612 10 HA MET 2 HA MET 2 0.610 3.409 -13.355 11 HB2 MET 2 HB2 MET 2 0.867 1.752 -15.950 12 HB3 MET 2 HB1 MET 2 -0.076 1.244 -14.500 13 HG2 MET 2 HG2 MET 2 -1.579 3.242 -14.783 14 HG3 MET 2 HG1 MET 2 -0.645 3.743 -16.231 15 HE1 MET 2 HE1 MET 2 -2.778 3.926 -17.625 16 HE2 MET 2 HE2 MET 2 -3.737 3.463 -16.176 17 HE3 MET 2 HE3 MET 2 -4.048 2.659 -17.753 18 H ARG 3 HN ARG 3 1.180 1.607 -12.012 19 HA ARG 3 HA ARG 3 4.013 0.996 -12.086 20 HB2 ARG 3 HB2 ARG 3 1.849 0.236 -10.024 21 HB3 ARG 3 HB1 ARG 3 3.612 -0.072 -9.820 22 HG2 ARG 3 HG2 ARG 3 2.300 2.709 -10.085 23 HG3 ARG 3 HG1 ARG 3 2.773 1.917 -8.544 24 HD2 ARG 3 HD2 ARG 3 5.208 1.811 -9.450 25 HD3 ARG 3 HD1 ARG 3 4.657 2.856 -10.831 26 HE ARG 3 HE ARG 3 3.821 4.113 -8.367 27 HH11 ARG 3 HH11 ARG 3 6.876 3.360 -10.139 28 HH12 ARG 3 HH12 ARG 3 7.747 4.695 -9.464 29 HH21 ARG 3 HH21 ARG 3 5.051 5.896 -7.484 30 HH22 ARG 3 HH22 ARG 3 6.703 6.145 -7.941 31 H LEU 4 HN LEU 4 1.206 -0.434 -13.271 32 HA LEU 4 HA LEU 4 2.239 -3.131 -12.984 33 HB2 LEU 4 HB2 LEU 4 -0.234 -1.970 -14.354 34 HB3 LEU 4 HB1 LEU 4 0.178 -3.729 -14.260 35 HG LEU 4 HG LEU 4 0.479 -2.956 -11.621 36 HD11 LEU 4 HD11 LEU 4 -0.336 -0.744 -11.653 37 HD12 LEU 4 HD12 LEU 4 -1.731 -1.713 -11.020 38 HD13 LEU 4 HD13 LEU 4 -1.730 -1.156 -12.739 39 HD21 LEU 4 HD21 LEU 4 -2.112 -4.052 -12.891 40 HD22 LEU 4 HD22 LEU 4 -1.572 -4.269 -11.180 41 HD23 LEU 4 HD23 LEU 4 -0.624 -5.019 -12.531 42 H SER 5 HN SER 5 2.031 -0.466 -15.286 43 HA SER 5 HA SER 5 2.929 -2.081 -17.436 44 HB2 SER 5 HB2 SER 5 2.951 0.985 -17.248 45 HB3 SER 5 HB1 SER 5 3.259 -0.019 -18.727 46 HG SER 5 HG SER 5 0.964 -0.758 -17.574 47 H LYS 6 HN LYS 6 4.304 -0.626 -14.579 48 HA LYS 6 HA LYS 6 6.891 -0.390 -15.718 49 HB2 LYS 6 HB2 LYS 6 6.134 1.279 -14.053 50 HB3 LYS 6 HB1 LYS 6 5.839 -0.030 -12.880 51 HG2 LYS 6 HG2 LYS 6 8.675 0.026 -13.859 52 HG3 LYS 6 HG1 LYS 6 8.163 1.559 -13.068 53 HD2 LYS 6 HD2 LYS 6 7.420 0.322 -11.052 54 HD3 LYS 6 HD1 LYS 6 7.793 -1.250 -11.843 55 HE2 LYS 6 HE2 LYS 6 10.252 -0.638 -11.905 56 HE3 LYS 6 HE1 LYS 6 9.877 0.955 -11.127 57 HZ1 LYS 6 HZ1 LYS 6 9.284 -0.091 -9.165 58 HZ2 LYS 6 HZ2 LYS 6 10.657 -0.947 -9.678 59 HZ3 LYS 6 HZ3 LYS 6 9.112 -1.623 -9.876 60 H PHE 7 HN PHE 7 4.912 -2.602 -13.760 61 HA PHE 7 HA PHE 7 6.890 -4.337 -12.821 62 HB2 PHE 7 HB2 PHE 7 3.974 -4.281 -12.815 63 HB3 PHE 7 HB1 PHE 7 4.492 -5.919 -13.293 64 HD1 PHE 7 HD1 PHE 7 3.940 -3.684 -10.489 65 HD2 PHE 7 HD2 PHE 7 6.081 -7.080 -11.921 66 HE1 PHE 7 HE1 PHE 7 4.333 -4.443 -8.191 67 HE2 PHE 7 HE2 PHE 7 6.463 -7.817 -9.699 68 HZ PHE 7 HZ PHE 7 5.597 -6.517 -7.762 69 H PHE 8 HN PHE 8 4.592 -4.709 -15.478 70 HA PHE 8 HA PHE 8 5.705 -7.171 -16.219 71 HB2 PHE 8 HB2 PHE 8 4.649 -5.539 -18.391 72 HB3 PHE 8 HB1 PHE 8 4.287 -7.224 -17.932 73 HD1 PHE 8 HD1 PHE 8 3.307 -4.350 -18.778 74 HD2 PHE 8 HD2 PHE 8 2.612 -7.174 -15.688 75 HE1 PHE 8 HE1 PHE 8 1.231 -3.500 -18.550 76 HE2 PHE 8 HE2 PHE 8 0.399 -6.278 -15.433 77 HZ PHE 8 HZ PHE 8 -0.336 -4.441 -16.878 78 H ARG 9 HN ARG 9 6.460 -3.840 -16.871 79 HA ARG 9 HA ARG 9 7.414 -4.044 -19.393 80 HB2 ARG 9 HB2 ARG 9 7.019 -2.167 -17.589 81 HB3 ARG 9 HB1 ARG 9 8.713 -2.410 -17.151 82 HG2 ARG 9 HG2 ARG 9 9.382 -1.701 -19.467 83 HG3 ARG 9 HG1 ARG 9 7.637 -1.447 -19.857 84 HD2 ARG 9 HD2 ARG 9 7.464 0.294 -17.970 85 HD3 ARG 9 HD1 ARG 9 9.238 0.058 -17.630 86 HE ARG 9 HE ARG 9 8.926 0.675 -20.443 87 HH11 ARG 9 HH11 ARG 9 8.596 2.259 -17.215 88 HH12 ARG 9 HH12 ARG 9 8.954 3.845 -17.810 89 HH21 ARG 9 HH21 ARG 9 9.408 2.843 -21.189 90 HH22 ARG 9 HH22 ARG 9 9.417 4.176 -20.084 91 H ASP 10 HN ASP 10 8.960 -4.624 -16.273 92 HA ASP 10 HA ASP 10 11.403 -5.422 -17.458 93 HB2 ASP 10 HB2 ASP 10 10.504 -5.429 -14.491 94 HB3 ASP 10 HB1 ASP 10 12.171 -5.829 -15.042 95 H ALA 11 HN ALA 11 8.378 -6.968 -17.041 96 HA ALA 11 HA ALA 11 9.631 -9.541 -16.359 97 HB1 ALA 11 HB1 ALA 11 6.656 -9.087 -16.821 98 HB2 ALA 11 HB2 ALA 11 7.427 -8.640 -15.252 99 HB3 ALA 11 HB3 ALA 11 7.464 -10.358 -15.816 100 H ILE 12 HN ILE 12 7.640 -8.032 -18.885 101 HA ILE 12 HA ILE 12 7.736 -10.435 -20.514 102 HB ILE 12 HB ILE 12 6.521 -7.669 -21.031 103 HG12 ILE 12 HG12 ILE 12 5.218 -10.128 -19.707 104 HG13 ILE 12 HG11 ILE 12 5.654 -8.541 -18.959 105 HG21 ILE 12 HG21 ILE 12 6.037 -10.462 -22.386 106 HG22 ILE 12 HG22 ILE 12 6.721 -8.985 -23.162 107 HG23 ILE 12 HG23 ILE 12 4.996 -9.021 -22.685 108 HD11 ILE 12 HD11 ILE 12 3.213 -8.596 -19.408 109 HD12 ILE 12 HD12 ILE 12 3.489 -8.955 -21.151 110 HD13 ILE 12 HD13 ILE 12 4.007 -7.362 -20.459 111 H LEU 13 HN LEU 13 8.947 -7.078 -20.373 112 HA LEU 13 HA LEU 13 9.894 -7.258 -23.085 113 HB2 LEU 13 HB2 LEU 13 10.220 -4.968 -21.081 114 HB3 LEU 13 HB1 LEU 13 10.403 -4.860 -22.885 115 HG LEU 13 HG LEU 13 7.874 -5.279 -21.195 116 HD11 LEU 13 HD11 LEU 13 8.930 -2.927 -21.517 117 HD12 LEU 13 HD12 LEU 13 7.155 -3.111 -21.792 118 HD13 LEU 13 HD13 LEU 13 8.283 -2.985 -23.202 119 HD21 LEU 13 HD21 LEU 13 8.091 -5.592 -24.270 120 HD22 LEU 13 HD22 LEU 13 6.562 -5.000 -23.511 121 HD23 LEU 13 HD23 LEU 13 7.211 -6.616 -23.074 122 H GLN 14 HN GLN 14 11.095 -8.299 -20.119 123 HA GLN 14 HA GLN 14 13.833 -7.515 -20.873 124 HB2 GLN 14 HB2 GLN 14 12.536 -8.804 -18.489 125 HB3 GLN 14 HB1 GLN 14 14.246 -9.275 -18.833 126 HG2 GLN 14 HG2 GLN 14 14.593 -6.618 -19.094 127 HG3 GLN 14 HG1 GLN 14 13.043 -6.550 -18.190 128 HE21 GLN 14 HE21 GLN 14 16.353 -8.143 -18.032 129 HE22 GLN 14 HE22 GLN 14 16.487 -8.103 -16.307 130 H ARG 15 HN ARG 15 11.441 -9.791 -21.600 131 HA ARG 15 HA ARG 15 13.327 -11.908 -22.267 132 HB2 ARG 15 HB2 ARG 15 10.398 -11.708 -23.132 133 HB3 ARG 15 HB1 ARG 15 11.391 -13.195 -22.894 134 HG2 ARG 15 HG2 ARG 15 11.473 -12.714 -20.414 135 HG3 ARG 15 HG1 ARG 15 10.489 -11.228 -20.706 136 HD2 ARG 15 HD2 ARG 15 8.969 -12.930 -19.902 137 HD3 ARG 15 HD1 ARG 15 8.640 -12.725 -21.673 138 HE ARG 15 HE ARG 15 10.575 -14.863 -21.299 139 HH11 ARG 15 HH11 ARG 15 7.073 -14.174 -20.752 140 HH12 ARG 15 HH12 ARG 15 6.586 -15.826 -20.933 141 HH21 ARG 15 HH21 ARG 15 9.854 -17.080 -21.541 142 HH22 ARG 15 HH22 ARG 15 8.179 -17.486 -21.385 143 H LYS 16 HN LYS 16 11.212 -9.465 -23.857 144 HA LYS 16 HA LYS 16 12.734 -9.868 -26.350 145 HB2 LYS 16 HB2 LYS 16 9.943 -8.820 -25.635 146 HB3 LYS 16 HB1 LYS 16 10.732 -8.217 -27.131 147 HG2 LYS 16 HG2 LYS 16 9.295 -10.015 -27.764 148 HG3 LYS 16 HG1 LYS 16 10.976 -10.609 -27.931 149 HD2 LYS 16 HD2 LYS 16 10.735 -11.930 -25.779 150 HD3 LYS 16 HD1 LYS 16 9.074 -11.264 -25.565 151 HE2 LYS 16 HE2 LYS 16 8.333 -12.413 -27.700 152 HE3 LYS 16 HE1 LYS 16 10.007 -13.069 -27.918 153 HZ1 LYS 16 HZ1 LYS 16 8.568 -14.676 -26.920 154 HZ2 LYS 16 HZ2 LYS 16 8.159 -13.626 -25.648 155 HZ3 LYS 16 HZ3 LYS 16 9.749 -14.207 -25.794 156 H LYS 17 HN LYS 17 14.609 -8.572 -26.139 157 HA LYS 17 HA LYS 17 14.125 -5.711 -25.935 158 HB2 LYS 17 HB2 LYS 17 14.955 -7.106 -23.537 159 HB3 LYS 17 HB1 LYS 17 16.466 -6.405 -24.195 160 HG2 LYS 17 HG2 LYS 17 14.825 -4.164 -24.333 161 HG3 LYS 17 HG1 LYS 17 14.019 -5.031 -22.976 162 HD2 LYS 17 HD2 LYS 17 16.194 -5.141 -21.740 163 HD3 LYS 17 HD1 LYS 17 17.025 -4.298 -23.096 164 HE2 LYS 17 HE2 LYS 17 15.538 -2.268 -22.721 165 HE3 LYS 17 HE1 LYS 17 14.755 -3.121 -21.329 166 HZ1 LYS 17 HZ1 LYS 17 16.426 -2.555 -20.047 167 HZ2 LYS 17 HZ2 LYS 17 17.026 -1.575 -21.296 168 HZ3 LYS 17 HZ3 LYS 17 17.595 -3.164 -21.117 Start of MODEL 8 1 H1 GLU 1 HT1 GLU 1 1.199 8.438 -15.827 2 H2 GLU 1 HT2 GLU 1 0.199 7.079 -16.014 3 H3 GLU 1 HT3 GLU 1 1.324 7.477 -17.221 4 HA GLU 1 HA GLU 1 2.757 6.142 -16.298 5 HB2 GLU 1 HB2 GLU 1 2.471 8.217 -14.026 6 HB3 GLU 1 HB1 GLU 1 3.623 6.839 -13.866 7 HG2 GLU 1 HG2 GLU 1 4.860 7.577 -15.926 8 HG3 GLU 1 HG1 GLU 1 3.691 8.934 -16.166 9 H MET 2 HN MET 2 2.390 4.002 -15.765 10 HA MET 2 HA MET 2 0.593 3.465 -13.470 11 HB2 MET 2 HB2 MET 2 0.895 1.873 -16.097 12 HB3 MET 2 HB1 MET 2 -0.025 1.293 -14.654 13 HG2 MET 2 HG2 MET 2 -1.580 3.262 -14.853 14 HG3 MET 2 HG1 MET 2 -0.674 3.846 -16.289 15 HE1 MET 2 HE1 MET 2 -3.820 3.378 -16.101 16 HE2 MET 2 HE2 MET 2 -4.105 2.743 -17.757 17 HE3 MET 2 HE3 MET 2 -2.914 4.064 -17.495 18 H ARG 3 HN ARG 3 1.129 1.692 -12.136 19 HA ARG 3 HA ARG 3 3.955 1.065 -12.099 20 HB2 ARG 3 HB2 ARG 3 1.646 0.401 -10.163 21 HB3 ARG 3 HB1 ARG 3 3.353 -0.092 -9.870 22 HG2 ARG 3 HG2 ARG 3 2.463 2.834 -10.241 23 HG3 ARG 3 HG1 ARG 3 2.524 1.993 -8.650 24 HD2 ARG 3 HD2 ARG 3 4.986 1.513 -8.994 25 HD3 ARG 3 HD1 ARG 3 4.941 2.415 -10.576 26 HE ARG 3 HE ARG 3 3.864 4.160 -8.569 27 HH11 ARG 3 HH11 ARG 3 6.996 2.517 -9.248 28 HH12 ARG 3 HH12 ARG 3 7.961 3.805 -8.612 29 HH21 ARG 3 HH21 ARG 3 5.208 5.874 -7.726 30 HH22 ARG 3 HH22 ARG 3 6.934 5.730 -7.740 31 H LEU 4 HN LEU 4 1.169 -0.402 -13.356 32 HA LEU 4 HA LEU 4 2.267 -3.071 -12.973 33 HB2 LEU 4 HB2 LEU 4 -0.275 -2.000 -14.270 34 HB3 LEU 4 HB1 LEU 4 0.191 -3.748 -14.208 35 HG LEU 4 HG LEU 4 0.614 -2.955 -11.589 36 HD11 LEU 4 HD11 LEU 4 -1.761 -1.289 -12.550 37 HD12 LEU 4 HD12 LEU 4 -0.296 -0.780 -11.610 38 HD13 LEU 4 HD13 LEU 4 -1.562 -1.806 -10.827 39 HD21 LEU 4 HD21 LEU 4 -0.435 -5.065 -12.424 40 HD22 LEU 4 HD22 LEU 4 -1.985 -4.172 -12.703 41 HD23 LEU 4 HD23 LEU 4 -1.339 -4.357 -11.026 42 H SER 5 HN SER 5 2.014 -0.503 -15.346 43 HA SER 5 HA SER 5 2.887 -2.153 -17.453 44 HB2 SER 5 HB2 SER 5 3.070 0.896 -17.189 45 HB3 SER 5 HB1 SER 5 3.455 -0.074 -18.677 46 HG SER 5 HG SER 5 1.114 -0.871 -17.965 47 H LYS 6 HN LYS 6 4.279 -0.427 -14.687 48 HA LYS 6 HA LYS 6 6.878 -0.412 -15.666 49 HB2 LYS 6 HB2 LYS 6 5.965 1.214 -13.997 50 HB3 LYS 6 HB1 LYS 6 5.831 -0.126 -12.823 51 HG2 LYS 6 HG2 LYS 6 8.589 0.185 -13.976 52 HG3 LYS 6 HG1 LYS 6 8.003 1.636 -13.082 53 HD2 LYS 6 HD2 LYS 6 7.555 0.316 -11.079 54 HD3 LYS 6 HD1 LYS 6 7.864 -1.224 -11.953 55 HE2 LYS 6 HE2 LYS 6 10.281 -0.642 -12.212 56 HE3 LYS 6 HE1 LYS 6 10.007 0.979 -11.450 57 HZ1 LYS 6 HZ1 LYS 6 10.370 0.021 -9.534 58 HZ2 LYS 6 HZ2 LYS 6 10.501 -1.516 -10.242 59 HZ3 LYS 6 HZ3 LYS 6 8.988 -0.948 -9.722 60 H PHE 7 HN PHE 7 4.889 -2.631 -13.747 61 HA PHE 7 HA PHE 7 6.888 -4.329 -12.794 62 HB2 PHE 7 HB2 PHE 7 3.972 -4.289 -12.788 63 HB3 PHE 7 HB1 PHE 7 4.505 -5.934 -13.225 64 HD1 PHE 7 HD1 PHE 7 4.042 -3.572 -10.487 65 HD2 PHE 7 HD2 PHE 7 6.023 -7.089 -11.843 66 HE1 PHE 7 HE1 PHE 7 4.467 -4.253 -8.176 67 HE2 PHE 7 HE2 PHE 7 6.439 -7.763 -9.612 68 HZ PHE 7 HZ PHE 7 5.666 -6.360 -7.699 69 H PHE 8 HN PHE 8 4.601 -4.757 -15.460 70 HA PHE 8 HA PHE 8 5.755 -7.227 -16.137 71 HB2 PHE 8 HB2 PHE 8 4.656 -5.729 -18.365 72 HB3 PHE 8 HB1 PHE 8 4.285 -7.380 -17.786 73 HD1 PHE 8 HD1 PHE 8 3.381 -4.488 -18.748 74 HD2 PHE 8 HD2 PHE 8 2.595 -7.228 -15.606 75 HE1 PHE 8 HE1 PHE 8 1.331 -3.578 -18.552 76 HE2 PHE 8 HE2 PHE 8 0.399 -6.272 -15.381 77 HZ PHE 8 HZ PHE 8 -0.279 -4.443 -16.872 78 H ARG 9 HN ARG 9 6.528 -3.925 -16.763 79 HA ARG 9 HA ARG 9 7.471 -4.099 -19.322 80 HB2 ARG 9 HB2 ARG 9 7.297 -2.286 -17.240 81 HB3 ARG 9 HB1 ARG 9 9.056 -2.439 -17.354 82 HG2 ARG 9 HG2 ARG 9 9.018 -1.611 -19.663 83 HG3 ARG 9 HG1 ARG 9 7.213 -1.646 -19.677 84 HD2 ARG 9 HD2 ARG 9 7.131 0.140 -17.883 85 HD3 ARG 9 HD1 ARG 9 8.954 0.159 -17.818 86 HE ARG 9 HE ARG 9 8.199 0.584 -20.555 87 HH11 ARG 9 HH11 ARG 9 7.914 2.249 -17.380 88 HH12 ARG 9 HH12 ARG 9 7.824 3.836 -18.067 89 HH21 ARG 9 HH21 ARG 9 8.073 2.750 -21.441 90 HH22 ARG 9 HH22 ARG 9 7.913 4.120 -20.395 91 H ASP 10 HN ASP 10 8.968 -4.709 -16.199 92 HA ASP 10 HA ASP 10 11.396 -5.537 -17.394 93 HB2 ASP 10 HB2 ASP 10 10.489 -5.543 -14.439 94 HB3 ASP 10 HB1 ASP 10 12.140 -6.019 -14.982 95 H ALA 11 HN ALA 11 8.358 -7.050 -17.003 96 HA ALA 11 HA ALA 11 9.598 -9.638 -16.362 97 HB1 ALA 11 HB1 ALA 11 7.405 -10.476 -15.911 98 HB2 ALA 11 HB2 ALA 11 6.630 -9.145 -16.862 99 HB3 ALA 11 HB3 ALA 11 7.383 -8.791 -15.257 100 H ILE 12 HN ILE 12 7.655 -8.072 -18.890 101 HA ILE 12 HA ILE 12 7.771 -10.440 -20.562 102 HB ILE 12 HB ILE 12 6.613 -7.644 -21.056 103 HG12 ILE 12 HG12 ILE 12 5.212 -10.100 -19.834 104 HG13 ILE 12 HG11 ILE 12 5.686 -8.560 -19.018 105 HG21 ILE 12 HG21 ILE 12 5.142 -8.858 -22.798 106 HG22 ILE 12 HG22 ILE 12 5.991 -10.403 -22.431 107 HG23 ILE 12 HG23 ILE 12 6.885 -9.036 -23.188 108 HD11 ILE 12 HD11 ILE 12 3.575 -8.793 -21.289 109 HD12 ILE 12 HD12 ILE 12 4.112 -7.264 -20.482 110 HD13 ILE 12 HD13 ILE 12 3.250 -8.534 -19.534 111 H LEU 13 HN LEU 13 9.019 -7.112 -20.323 112 HA LEU 13 HA LEU 13 10.001 -7.243 -23.023 113 HB2 LEU 13 HB2 LEU 13 10.265 -4.973 -20.986 114 HB3 LEU 13 HB1 LEU 13 10.479 -4.842 -22.786 115 HG LEU 13 HG LEU 13 7.921 -5.312 -21.144 116 HD11 LEU 13 HD11 LEU 13 9.003 -2.927 -21.513 117 HD12 LEU 13 HD12 LEU 13 7.218 -3.144 -21.659 118 HD13 LEU 13 HD13 LEU 13 8.239 -3.011 -23.146 119 HD21 LEU 13 HD21 LEU 13 7.465 -6.680 -23.128 120 HD22 LEU 13 HD22 LEU 13 8.143 -5.437 -24.239 121 HD23 LEU 13 HD23 LEU 13 6.587 -5.129 -23.377 122 H GLN 14 HN GLN 14 11.217 -8.335 -20.067 123 HA GLN 14 HA GLN 14 13.936 -7.501 -20.882 124 HB2 GLN 14 HB2 GLN 14 12.831 -8.954 -18.460 125 HB3 GLN 14 HB1 GLN 14 14.589 -9.117 -18.873 126 HG2 GLN 14 HG2 GLN 14 14.449 -6.437 -19.066 127 HG3 GLN 14 HG1 GLN 14 12.972 -6.667 -18.086 128 HE21 GLN 14 HE21 GLN 14 13.227 -7.777 -15.887 129 HE22 GLN 14 HE22 GLN 14 14.751 -7.695 -15.068 130 H ARG 15 HN ARG 15 11.542 -9.764 -21.573 131 HA ARG 15 HA ARG 15 13.442 -11.828 -22.403 132 HB2 ARG 15 HB2 ARG 15 10.474 -11.752 -23.130 133 HB3 ARG 15 HB1 ARG 15 11.542 -13.188 -22.898 134 HG2 ARG 15 HG2 ARG 15 11.639 -12.738 -20.459 135 HG3 ARG 15 HG1 ARG 15 10.649 -11.239 -20.694 136 HD2 ARG 15 HD2 ARG 15 8.673 -12.413 -21.140 137 HD3 ARG 15 HD1 ARG 15 9.527 -13.951 -21.621 138 HE ARG 15 HE ARG 15 10.108 -13.297 -18.841 139 HH11 ARG 15 HH11 ARG 15 7.441 -14.552 -20.916 140 HH12 ARG 15 HH12 ARG 15 6.677 -15.417 -19.626 141 HH21 ARG 15 HH21 ARG 15 9.033 -14.471 -17.146 142 HH22 ARG 15 HH22 ARG 15 7.588 -15.369 -17.469 143 H LYS 16 HN LYS 16 11.149 -9.409 -23.800 144 HA LYS 16 HA LYS 16 12.536 -9.759 -26.372 145 HB2 LYS 16 HB2 LYS 16 9.760 -8.881 -25.483 146 HB3 LYS 16 HB1 LYS 16 10.434 -8.054 -26.927 147 HG2 LYS 16 HG2 LYS 16 9.101 -9.900 -27.702 148 HG3 LYS 16 HG1 LYS 16 10.817 -10.306 -28.018 149 HD2 LYS 16 HD2 LYS 16 10.781 -11.816 -25.911 150 HD3 LYS 16 HD1 LYS 16 9.029 -11.423 -25.742 151 HE2 LYS 16 HE2 LYS 16 8.590 -12.456 -28.027 152 HE3 LYS 16 HE1 LYS 16 10.349 -12.864 -28.157 153 HZ1 LYS 16 HZ1 LYS 16 9.837 -13.973 -25.847 154 HZ2 LYS 16 HZ2 LYS 16 9.535 -14.766 -27.318 155 HZ3 LYS 16 HZ3 LYS 16 8.258 -14.032 -26.469 156 H LYS 17 HN LYS 17 14.387 -8.523 -26.293 157 HA LYS 17 HA LYS 17 14.036 -5.663 -25.942 158 HB2 LYS 17 HB2 LYS 17 14.998 -7.265 -23.702 159 HB3 LYS 17 HB1 LYS 17 16.448 -6.467 -24.385 160 HG2 LYS 17 HG2 LYS 17 13.906 -4.825 -23.744 161 HG3 LYS 17 HG1 LYS 17 15.024 -5.309 -22.426 162 HD2 LYS 17 HD2 LYS 17 16.933 -4.180 -23.657 163 HD3 LYS 17 HD1 LYS 17 15.783 -3.660 -24.940 164 HE2 LYS 17 HE2 LYS 17 14.493 -2.301 -23.260 165 HE3 LYS 17 HE1 LYS 17 15.609 -2.853 -21.944 166 HZ1 LYS 17 HZ1 LYS 17 16.175 -1.099 -24.263 167 HZ2 LYS 17 HZ2 LYS 17 17.419 -1.881 -23.412 168 HZ3 LYS 17 HZ3 LYS 17 16.388 -0.800 -22.605 Start of MODEL 9 1 H1 GLU 1 HT1 GLU 1 3.917 5.976 -16.043 2 H2 GLU 1 HT2 GLU 1 3.738 6.794 -14.566 3 H3 GLU 1 HT3 GLU 1 3.478 7.617 -16.028 4 HA GLU 1 HA GLU 1 1.508 6.771 -14.613 5 HB2 GLU 1 HB2 GLU 1 1.788 6.565 -17.687 6 HB3 GLU 1 HB1 GLU 1 0.203 6.295 -16.867 7 HG2 GLU 1 HG2 GLU 1 0.285 8.625 -15.891 8 HG3 GLU 1 HG1 GLU 1 1.875 8.912 -16.701 9 H MET 2 HN MET 2 0.824 4.994 -13.566 10 HA MET 2 HA MET 2 0.210 2.974 -13.056 11 HB2 MET 2 HB2 MET 2 0.778 1.969 -15.908 12 HB3 MET 2 HB1 MET 2 -0.066 1.050 -14.608 13 HG2 MET 2 HG2 MET 2 -1.884 2.808 -14.559 14 HG3 MET 2 HG1 MET 2 -1.055 3.695 -15.874 15 HE1 MET 2 HE1 MET 2 -3.372 0.940 -14.736 16 HE2 MET 2 HE2 MET 2 -2.019 -0.182 -15.112 17 HE3 MET 2 HE3 MET 2 -3.525 -0.230 -16.091 18 H ARG 3 HN ARG 3 1.161 1.541 -11.770 19 HA ARG 3 HA ARG 3 4.022 1.121 -12.062 20 HB2 ARG 3 HB2 ARG 3 2.144 0.175 -9.803 21 HB3 ARG 3 HB1 ARG 3 3.946 0.189 -9.755 22 HG2 ARG 3 HG2 ARG 3 2.088 2.645 -9.889 23 HG3 ARG 3 HG1 ARG 3 2.978 2.050 -8.443 24 HD2 ARG 3 HD2 ARG 3 5.189 2.430 -9.813 25 HD3 ARG 3 HD1 ARG 3 4.156 3.311 -11.023 26 HE ARG 3 HE ARG 3 3.577 4.366 -8.389 27 HH11 ARG 3 HH11 ARG 3 6.258 4.339 -10.807 28 HH12 ARG 3 HH12 ARG 3 6.899 5.867 -10.305 29 HH21 ARG 3 HH21 ARG 3 4.487 6.425 -7.753 30 HH22 ARG 3 HH22 ARG 3 5.884 7.060 -8.556 31 H LEU 4 HN LEU 4 1.232 -0.425 -13.057 32 HA LEU 4 HA LEU 4 2.319 -3.101 -12.808 33 HB2 LEU 4 HB2 LEU 4 -0.182 -1.994 -14.181 34 HB3 LEU 4 HB1 LEU 4 0.250 -3.741 -14.022 35 HG LEU 4 HG LEU 4 0.527 -2.841 -11.410 36 HD11 LEU 4 HD11 LEU 4 -1.720 -1.656 -10.878 37 HD12 LEU 4 HD12 LEU 4 -1.770 -1.216 -12.628 38 HD13 LEU 4 HD13 LEU 4 -0.386 -0.659 -11.593 39 HD21 LEU 4 HD21 LEU 4 -0.489 -4.987 -12.230 40 HD22 LEU 4 HD22 LEU 4 -2.006 -4.097 -12.653 41 HD23 LEU 4 HD23 LEU 4 -1.481 -4.211 -10.928 42 H SER 5 HN SER 5 2.058 -0.415 -15.078 43 HA SER 5 HA SER 5 2.919 -2.004 -17.271 44 HB2 SER 5 HB2 SER 5 2.869 1.060 -17.065 45 HB3 SER 5 HB1 SER 5 3.162 0.075 -18.559 46 HG SER 5 HG SER 5 0.915 -0.717 -17.321 47 H LYS 6 HN LYS 6 4.338 -0.571 -14.430 48 HA LYS 6 HA LYS 6 6.885 -0.284 -15.649 49 HB2 LYS 6 HB2 LYS 6 6.210 1.373 -13.953 50 HB3 LYS 6 HB1 LYS 6 5.894 0.065 -12.786 51 HG2 LYS 6 HG2 LYS 6 8.730 0.095 -13.790 52 HG3 LYS 6 HG1 LYS 6 8.238 1.609 -12.956 53 HD2 LYS 6 HD2 LYS 6 7.509 0.328 -10.962 54 HD3 LYS 6 HD1 LYS 6 7.862 -1.227 -11.795 55 HE2 LYS 6 HE2 LYS 6 10.324 -0.634 -11.871 56 HE3 LYS 6 HE1 LYS 6 9.969 0.947 -11.058 57 HZ1 LYS 6 HZ1 LYS 6 10.516 -1.476 -9.879 58 HZ2 LYS 6 HZ2 LYS 6 8.857 -1.236 -9.612 59 HZ3 LYS 6 HZ3 LYS 6 9.975 -0.055 -9.123 60 H PHE 7 HN PHE 7 4.973 -2.536 -13.677 61 HA PHE 7 HA PHE 7 6.988 -4.279 -12.817 62 HB2 PHE 7 HB2 PHE 7 4.072 -4.221 -12.721 63 HB3 PHE 7 HB1 PHE 7 4.574 -5.854 -13.231 64 HD1 PHE 7 HD1 PHE 7 4.130 -3.631 -10.394 65 HD2 PHE 7 HD2 PHE 7 6.186 -7.038 -11.921 66 HE1 PHE 7 HE1 PHE 7 4.597 -4.409 -8.115 67 HE2 PHE 7 HE2 PHE 7 6.639 -7.795 -9.719 68 HZ PHE 7 HZ PHE 7 5.855 -6.498 -7.745 69 H PHE 8 HN PHE 8 4.598 -4.620 -15.403 70 HA PHE 8 HA PHE 8 5.694 -7.071 -16.207 71 HB2 PHE 8 HB2 PHE 8 4.566 -5.420 -18.327 72 HB3 PHE 8 HB1 PHE 8 4.224 -7.113 -17.877 73 HD1 PHE 8 HD1 PHE 8 3.204 -4.241 -18.667 74 HD2 PHE 8 HD2 PHE 8 2.621 -7.090 -15.574 75 HE1 PHE 8 HE1 PHE 8 1.135 -3.399 -18.363 76 HE2 PHE 8 HE2 PHE 8 0.414 -6.198 -15.238 77 HZ PHE 8 HZ PHE 8 -0.371 -4.352 -16.645 78 H ARG 9 HN ARG 9 6.406 -3.725 -16.850 79 HA ARG 9 HA ARG 9 7.279 -3.906 -19.402 80 HB2 ARG 9 HB2 ARG 9 6.856 -2.009 -17.735 81 HB3 ARG 9 HB1 ARG 9 8.474 -2.289 -17.086 82 HG2 ARG 9 HG2 ARG 9 9.428 -1.641 -19.325 83 HG3 ARG 9 HG1 ARG 9 7.746 -1.312 -19.892 84 HD2 ARG 9 HD2 ARG 9 7.454 0.466 -18.085 85 HD3 ARG 9 HD1 ARG 9 9.144 0.128 -17.492 86 HE ARG 9 HE ARG 9 9.247 0.711 -20.338 87 HH11 ARG 9 HH11 ARG 9 8.664 2.379 -17.188 88 HH12 ARG 9 HH12 ARG 9 9.251 3.910 -17.746 89 HH21 ARG 9 HH21 ARG 9 10.035 2.799 -21.030 90 HH22 ARG 9 HH22 ARG 9 10.036 4.148 -19.945 91 H ASP 10 HN ASP 10 8.971 -4.492 -16.336 92 HA ASP 10 HA ASP 10 11.342 -5.274 -17.661 93 HB2 ASP 10 HB2 ASP 10 10.614 -5.255 -14.654 94 HB3 ASP 10 HB1 ASP 10 12.232 -5.748 -15.285 95 H ALA 11 HN ALA 11 8.344 -6.828 -17.107 96 HA ALA 11 HA ALA 11 9.633 -9.401 -16.493 97 HB1 ALA 11 HB1 ALA 11 6.644 -8.966 -16.877 98 HB2 ALA 11 HB2 ALA 11 7.448 -8.537 -15.319 99 HB3 ALA 11 HB3 ALA 11 7.486 -10.245 -15.914 100 H ILE 12 HN ILE 12 7.549 -7.881 -18.945 101 HA ILE 12 HA ILE 12 7.584 -10.266 -20.580 102 HB ILE 12 HB ILE 12 6.368 -7.497 -21.028 103 HG12 ILE 12 HG12 ILE 12 5.115 -9.990 -19.726 104 HG13 ILE 12 HG11 ILE 12 5.555 -8.414 -18.960 105 HG21 ILE 12 HG21 ILE 12 4.791 -8.819 -22.667 106 HG22 ILE 12 HG22 ILE 12 5.866 -10.247 -22.453 107 HG23 ILE 12 HG23 ILE 12 6.504 -8.735 -23.198 108 HD11 ILE 12 HD11 ILE 12 3.104 -8.484 -19.336 109 HD12 ILE 12 HD12 ILE 12 3.330 -8.818 -21.093 110 HD13 ILE 12 HD13 ILE 12 3.851 -7.228 -20.398 111 H LEU 13 HN LEU 13 8.855 -6.942 -20.477 112 HA LEU 13 HA LEU 13 9.663 -7.125 -23.233 113 HB2 LEU 13 HB2 LEU 13 10.083 -4.856 -21.215 114 HB3 LEU 13 HB1 LEU 13 10.206 -4.719 -23.023 115 HG LEU 13 HG LEU 13 7.717 -5.151 -21.257 116 HD11 LEU 13 HD11 LEU 13 6.995 -2.966 -21.800 117 HD12 LEU 13 HD12 LEU 13 8.122 -2.807 -23.210 118 HD13 LEU 13 HD13 LEU 13 8.773 -2.805 -21.527 119 HD21 LEU 13 HD21 LEU 13 7.842 -5.358 -24.349 120 HD22 LEU 13 HD22 LEU 13 6.336 -4.818 -23.507 121 HD23 LEU 13 HD23 LEU 13 7.021 -6.443 -23.164 122 H GLN 14 HN GLN 14 11.018 -8.199 -20.340 123 HA GLN 14 HA GLN 14 13.714 -7.445 -21.299 124 HB2 GLN 14 HB2 GLN 14 12.706 -8.657 -18.718 125 HB3 GLN 14 HB1 GLN 14 14.444 -8.859 -19.190 126 HG2 GLN 14 HG2 GLN 14 14.271 -6.196 -19.607 127 HG3 GLN 14 HG1 GLN 14 12.871 -6.356 -18.505 128 HE21 GLN 14 HE21 GLN 14 13.378 -7.608 -16.310 129 HE22 GLN 14 HE22 GLN 14 14.930 -7.321 -15.593 130 H ARG 15 HN ARG 15 11.264 -9.730 -21.691 131 HA ARG 15 HA ARG 15 12.994 -11.992 -22.160 132 HB2 ARG 15 HB2 ARG 15 10.150 -11.479 -23.211 133 HB3 ARG 15 HB1 ARG 15 10.977 -13.078 -23.101 134 HG2 ARG 15 HG2 ARG 15 11.033 -12.868 -20.599 135 HG3 ARG 15 HG1 ARG 15 10.237 -11.246 -20.746 136 HD2 ARG 15 HD2 ARG 15 8.186 -12.185 -21.575 137 HD3 ARG 15 HD1 ARG 15 8.912 -13.842 -21.801 138 HE ARG 15 HE ARG 15 9.205 -13.098 -19.031 139 HH11 ARG 15 HH11 ARG 15 6.558 -13.886 -21.360 140 HH12 ARG 15 HH12 ARG 15 5.481 -14.471 -20.137 141 HH21 ARG 15 HH21 ARG 15 7.703 -13.894 -17.422 142 HH22 ARG 15 HH22 ARG 15 6.137 -14.473 -17.883 143 H LYS 16 HN LYS 16 11.379 -9.434 -24.089 144 HA LYS 16 HA LYS 16 13.006 -10.206 -26.419 145 HB2 LYS 16 HB2 LYS 16 10.409 -8.645 -25.945 146 HB3 LYS 16 HB1 LYS 16 11.397 -8.238 -27.387 147 HG2 LYS 16 HG2 LYS 16 9.644 -9.770 -28.023 148 HG3 LYS 16 HG1 LYS 16 11.224 -10.598 -28.191 149 HD2 LYS 16 HD2 LYS 16 10.765 -11.871 -26.022 150 HD3 LYS 16 HD1 LYS 16 9.195 -11.001 -25.875 151 HE2 LYS 16 HE2 LYS 16 8.395 -12.051 -28.033 152 HE3 LYS 16 HE1 LYS 16 9.985 -12.901 -28.207 153 HZ1 LYS 16 HZ1 LYS 16 9.517 -13.985 -26.071 154 HZ2 LYS 16 HZ2 LYS 16 8.373 -14.348 -27.273 155 HZ3 LYS 16 HZ3 LYS 16 7.984 -13.256 -26.031 156 H LYS 17 HN LYS 17 15.065 -9.273 -26.060 157 HA LYS 17 HA LYS 17 15.186 -6.397 -26.032 158 HB2 LYS 17 HB2 LYS 17 15.501 -7.905 -23.468 159 HB3 LYS 17 HB1 LYS 17 17.040 -7.098 -23.898 160 HG2 LYS 17 HG2 LYS 17 14.704 -5.222 -24.163 161 HG3 LYS 17 HG1 LYS 17 14.772 -5.954 -22.532 162 HD2 LYS 17 HD2 LYS 17 16.061 -4.010 -22.276 163 HD3 LYS 17 HD1 LYS 17 17.315 -5.273 -22.515 164 HE2 LYS 17 HE2 LYS 17 17.543 -4.571 -24.945 165 HE3 LYS 17 HE1 LYS 17 16.282 -3.296 -24.683 166 HZ1 LYS 17 HZ1 LYS 17 18.922 -3.505 -23.320 167 HZ2 LYS 17 HZ2 LYS 17 17.735 -2.337 -22.988 168 HZ3 LYS 17 HZ3 LYS 17 18.471 -2.390 -24.518 Start of MODEL 10 1 H1 GLU 1 HT1 GLU 1 3.411 7.881 -14.654 2 H2 GLU 1 HT2 GLU 1 3.796 6.311 -15.175 3 H3 GLU 1 HT3 GLU 1 3.207 6.564 -13.603 4 HA GLU 1 HA GLU 1 1.206 7.591 -14.812 5 HB2 GLU 1 HB2 GLU 1 2.508 5.767 -16.939 6 HB3 GLU 1 HB1 GLU 1 0.732 6.082 -16.946 7 HG2 GLU 1 HG2 GLU 1 1.154 8.565 -17.167 8 HG3 GLU 1 HG1 GLU 1 2.936 8.264 -17.165 9 H MET 2 HN MET 2 2.330 4.128 -15.359 10 HA MET 2 HA MET 2 0.383 3.298 -13.298 11 HB2 MET 2 HB2 MET 2 0.933 1.903 -15.995 12 HB3 MET 2 HB1 MET 2 -0.034 1.189 -14.649 13 HG2 MET 2 HG2 MET 2 -1.701 3.056 -14.855 14 HG3 MET 2 HG1 MET 2 -0.746 3.771 -16.195 15 HE1 MET 2 HE1 MET 2 -2.867 3.885 -17.624 16 HE2 MET 2 HE2 MET 2 -3.827 3.141 -16.299 17 HE3 MET 2 HE3 MET 2 -3.968 2.508 -17.975 18 H ARG 3 HN ARG 3 1.051 1.589 -11.975 19 HA ARG 3 HA ARG 3 3.905 1.057 -12.018 20 HB2 ARG 3 HB2 ARG 3 1.763 0.219 -9.962 21 HB3 ARG 3 HB1 ARG 3 3.540 0.021 -9.749 22 HG2 ARG 3 HG2 ARG 3 2.047 2.707 -10.027 23 HG3 ARG 3 HG1 ARG 3 2.592 1.960 -8.486 24 HD2 ARG 3 HD2 ARG 3 5.020 2.034 -9.407 25 HD3 ARG 3 HD1 ARG 3 4.382 3.013 -10.800 26 HE ARG 3 HE ARG 3 3.453 4.250 -8.369 27 HH11 ARG 3 HH11 ARG 3 6.592 3.651 -10.055 28 HH12 ARG 3 HH12 ARG 3 7.351 5.073 -9.422 29 HH21 ARG 3 HH21 ARG 3 4.530 6.158 -7.546 30 HH22 ARG 3 HH22 ARG 3 6.169 6.507 -7.985 31 H LEU 4 HN LEU 4 1.137 -0.406 -13.229 32 HA LEU 4 HA LEU 4 2.168 -3.104 -12.934 33 HB2 LEU 4 HB2 LEU 4 -0.254 -1.927 -14.390 34 HB3 LEU 4 HB1 LEU 4 0.147 -3.686 -14.279 35 HG LEU 4 HG LEU 4 0.352 -2.891 -11.631 36 HD11 LEU 4 HD11 LEU 4 -1.891 -1.675 -11.126 37 HD12 LEU 4 HD12 LEU 4 -1.847 -1.145 -12.852 38 HD13 LEU 4 HD13 LEU 4 -0.494 -0.691 -11.730 39 HD21 LEU 4 HD21 LEU 4 -2.169 -4.039 -12.990 40 HD22 LEU 4 HD22 LEU 4 -1.689 -4.236 -11.260 41 HD23 LEU 4 HD23 LEU 4 -0.680 -4.978 -12.571 42 H SER 5 HN SER 5 2.005 -0.424 -15.250 43 HA SER 5 HA SER 5 2.928 -1.979 -17.388 44 HB2 SER 5 HB2 SER 5 3.202 1.054 -17.024 45 HB3 SER 5 HB1 SER 5 3.588 0.111 -18.527 46 HG SER 5 HG SER 5 1.242 -0.652 -18.012 47 H LYS 6 HN LYS 6 4.354 -0.227 -14.600 48 HA LYS 6 HA LYS 6 6.946 -0.279 -15.526 49 HB2 LYS 6 HB2 LYS 6 6.134 1.282 -13.791 50 HB3 LYS 6 HB1 LYS 6 5.803 -0.096 -12.710 51 HG2 LYS 6 HG2 LYS 6 8.674 0.018 -13.599 52 HG3 LYS 6 HG1 LYS 6 8.134 1.501 -12.736 53 HD2 LYS 6 HD2 LYS 6 7.303 0.120 -10.832 54 HD3 LYS 6 HD1 LYS 6 7.777 -1.383 -11.697 55 HE2 LYS 6 HE2 LYS 6 10.211 -0.681 -11.594 56 HE3 LYS 6 HE1 LYS 6 9.735 0.845 -10.741 57 HZ1 LYS 6 HZ1 LYS 6 8.695 -0.681 -9.043 58 HZ2 LYS 6 HZ2 LYS 6 10.392 -0.651 -9.113 59 HZ3 LYS 6 HZ3 LYS 6 9.537 -1.957 -9.783 60 H PHE 7 HN PHE 7 4.932 -2.579 -13.691 61 HA PHE 7 HA PHE 7 6.904 -4.346 -12.826 62 HB2 PHE 7 HB2 PHE 7 3.981 -4.285 -12.831 63 HB3 PHE 7 HB1 PHE 7 4.517 -5.913 -13.331 64 HD1 PHE 7 HD1 PHE 7 3.923 -3.726 -10.503 65 HD2 PHE 7 HD2 PHE 7 6.105 -7.087 -11.957 66 HE1 PHE 7 HE1 PHE 7 4.301 -4.513 -8.213 67 HE2 PHE 7 HE2 PHE 7 6.471 -7.850 -9.742 68 HZ PHE 7 HZ PHE 7 5.576 -6.582 -7.798 69 H PHE 8 HN PHE 8 4.642 -4.553 -15.551 70 HA PHE 8 HA PHE 8 5.773 -7.042 -16.248 71 HB2 PHE 8 HB2 PHE 8 4.613 -5.635 -18.470 72 HB3 PHE 8 HB1 PHE 8 4.239 -7.237 -17.793 73 HD1 PHE 8 HD1 PHE 8 3.424 -4.271 -18.773 74 HD2 PHE 8 HD2 PHE 8 2.534 -7.075 -15.721 75 HE1 PHE 8 HE1 PHE 8 1.396 -3.327 -18.597 76 HE2 PHE 8 HE2 PHE 8 0.351 -6.080 -15.515 77 HZ PHE 8 HZ PHE 8 -0.263 -4.205 -16.971 78 H ARG 9 HN ARG 9 6.532 -3.708 -16.965 79 HA ARG 9 HA ARG 9 7.416 -4.028 -19.556 80 HB2 ARG 9 HB2 ARG 9 7.641 -2.147 -17.324 81 HB3 ARG 9 HB1 ARG 9 9.179 -2.157 -18.231 82 HG2 ARG 9 HG2 ARG 9 8.072 -1.353 -20.267 83 HG3 ARG 9 HG1 ARG 9 6.445 -1.629 -19.564 84 HD2 ARG 9 HD2 ARG 9 6.772 0.766 -19.385 85 HD3 ARG 9 HD1 ARG 9 7.149 0.164 -17.708 86 HE ARG 9 HE ARG 9 9.596 0.174 -19.272 87 HH11 ARG 9 HH11 ARG 9 7.265 2.519 -17.819 88 HH12 ARG 9 HH12 ARG 9 8.449 3.768 -17.621 89 HH21 ARG 9 HH21 ARG 9 11.148 1.894 -18.978 90 HH22 ARG 9 HH22 ARG 9 10.672 3.409 -18.286 91 H ASP 10 HN ASP 10 8.993 -4.421 -16.426 92 HA ASP 10 HA ASP 10 11.419 -5.297 -17.603 93 HB2 ASP 10 HB2 ASP 10 10.544 -5.200 -14.630 94 HB3 ASP 10 HB1 ASP 10 12.202 -5.640 -15.179 95 H ALA 11 HN ALA 11 8.394 -6.828 -17.144 96 HA ALA 11 HA ALA 11 9.658 -9.388 -16.418 97 HB1 ALA 11 HB1 ALA 11 7.501 -10.227 -15.872 98 HB2 ALA 11 HB2 ALA 11 6.678 -8.967 -16.878 99 HB3 ALA 11 HB3 ALA 11 7.448 -8.511 -15.310 100 H ILE 12 HN ILE 12 7.631 -7.937 -18.961 101 HA ILE 12 HA ILE 12 7.693 -10.378 -20.519 102 HB ILE 12 HB ILE 12 6.519 -7.609 -21.090 103 HG12 ILE 12 HG12 ILE 12 5.175 -10.040 -19.756 104 HG13 ILE 12 HG11 ILE 12 5.645 -8.466 -19.004 105 HG21 ILE 12 HG21 ILE 12 4.973 -8.950 -22.727 106 HG22 ILE 12 HG22 ILE 12 5.991 -10.402 -22.421 107 HG23 ILE 12 HG23 ILE 12 6.703 -8.945 -23.208 108 HD11 ILE 12 HD11 ILE 12 4.020 -7.248 -20.496 109 HD12 ILE 12 HD12 ILE 12 3.205 -8.469 -19.446 110 HD13 ILE 12 HD13 ILE 12 3.469 -8.826 -21.193 111 H LEU 13 HN LEU 13 8.966 -7.051 -20.493 112 HA LEU 13 HA LEU 13 9.904 -7.323 -23.198 113 HB2 LEU 13 HB2 LEU 13 10.283 -4.991 -21.244 114 HB3 LEU 13 HB1 LEU 13 10.461 -4.923 -23.053 115 HG LEU 13 HG LEU 13 7.926 -5.266 -21.347 116 HD11 LEU 13 HD11 LEU 13 7.204 -3.097 -22.122 117 HD12 LEU 13 HD12 LEU 13 8.542 -2.992 -23.340 118 HD13 LEU 13 HD13 LEU 13 8.919 -2.951 -21.572 119 HD21 LEU 13 HD21 LEU 13 8.131 -5.596 -24.424 120 HD22 LEU 13 HD22 LEU 13 6.608 -5.004 -23.651 121 HD23 LEU 13 HD23 LEU 13 7.260 -6.622 -23.222 122 H GLN 14 HN GLN 14 11.077 -8.326 -20.229 123 HA GLN 14 HA GLN 14 13.838 -7.594 -20.968 124 HB2 GLN 14 HB2 GLN 14 12.489 -8.762 -18.551 125 HB3 GLN 14 HB1 GLN 14 14.185 -9.298 -18.860 126 HG2 GLN 14 HG2 GLN 14 14.606 -6.654 -19.210 127 HG3 GLN 14 HG1 GLN 14 13.058 -6.519 -18.310 128 HE21 GLN 14 HE21 GLN 14 16.310 -8.246 -18.089 129 HE22 GLN 14 HE22 GLN 14 16.451 -8.131 -16.367 130 H ARG 15 HN ARG 15 11.410 -9.848 -21.640 131 HA ARG 15 HA ARG 15 13.253 -12.036 -22.182 132 HB2 ARG 15 HB2 ARG 15 10.327 -11.740 -23.064 133 HB3 ARG 15 HB1 ARG 15 11.271 -13.269 -22.896 134 HG2 ARG 15 HG2 ARG 15 11.387 -12.951 -20.427 135 HG3 ARG 15 HG1 ARG 15 10.549 -11.356 -20.597 136 HD2 ARG 15 HD2 ARG 15 8.474 -12.356 -21.257 137 HD3 ARG 15 HD1 ARG 15 9.220 -13.998 -21.521 138 HE ARG 15 HE ARG 15 9.683 -13.268 -18.783 139 HH11 ARG 15 HH11 ARG 15 6.860 -14.001 -20.916 140 HH12 ARG 15 HH12 ARG 15 5.867 -14.577 -19.620 141 HH21 ARG 15 HH21 ARG 15 8.291 -14.054 -17.073 142 HH22 ARG 15 HH22 ARG 15 6.688 -14.607 -17.422 143 H LYS 16 HN LYS 16 11.323 -9.552 -23.949 144 HA LYS 16 HA LYS 16 12.860 -10.195 -26.382 145 HB2 LYS 16 HB2 LYS 16 10.183 -8.808 -25.793 146 HB3 LYS 16 HB1 LYS 16 11.055 -8.432 -27.318 147 HG2 LYS 16 HG2 LYS 16 9.387 -10.116 -27.774 148 HG3 LYS 16 HG1 LYS 16 11.002 -10.869 -27.946 149 HD2 LYS 16 HD2 LYS 16 10.739 -12.165 -25.887 150 HD3 LYS 16 HD1 LYS 16 9.367 -11.149 -25.336 151 HE2 LYS 16 HE2 LYS 16 8.444 -13.299 -26.085 152 HE3 LYS 16 HE1 LYS 16 7.972 -12.066 -27.320 153 HZ1 LYS 16 HZ1 LYS 16 8.723 -13.824 -28.552 154 HZ2 LYS 16 HZ2 LYS 16 9.980 -14.230 -27.487 155 HZ3 LYS 16 HZ3 LYS 16 10.118 -12.860 -28.480 156 H LYS 17 HN LYS 17 14.837 -9.082 -26.208 157 HA LYS 17 HA LYS 17 14.707 -6.205 -26.267 158 HB2 LYS 17 HB2 LYS 17 15.340 -7.539 -23.678 159 HB3 LYS 17 HB1 LYS 17 16.783 -6.656 -24.264 160 HG2 LYS 17 HG2 LYS 17 14.029 -5.256 -24.125 161 HG3 LYS 17 HG1 LYS 17 15.028 -5.450 -22.646 162 HD2 LYS 17 HD2 LYS 17 16.945 -4.251 -23.830 163 HD3 LYS 17 HD1 LYS 17 15.877 -4.001 -25.257 164 HE2 LYS 17 HE2 LYS 17 14.292 -2.635 -23.845 165 HE3 LYS 17 HE1 LYS 17 15.353 -2.897 -22.400 166 HZ1 LYS 17 HZ1 LYS 17 15.843 -0.811 -23.348 167 HZ2 LYS 17 HZ2 LYS 17 16.020 -1.447 -24.912 168 HZ3 LYS 17 HZ3 LYS 17 17.152 -1.832 -23.707 Start of MODEL 11 1 H1 GLU 1 HT1 GLU 1 1.175 8.212 -16.412 2 H2 GLU 1 HT2 GLU 1 -0.048 7.266 -15.712 3 H3 GLU 1 HT3 GLU 1 0.733 6.735 -17.122 4 HA GLU 1 HA GLU 1 2.584 6.077 -16.073 5 HB2 GLU 1 HB2 GLU 1 1.859 8.171 -13.914 6 HB3 GLU 1 HB1 GLU 1 3.174 6.962 -13.657 7 HG2 GLU 1 HG2 GLU 1 4.409 7.844 -15.677 8 HG3 GLU 1 HG1 GLU 1 3.096 9.054 -15.958 9 H MET 2 HN MET 2 2.303 3.952 -15.514 10 HA MET 2 HA MET 2 0.499 3.353 -13.255 11 HB2 MET 2 HB2 MET 2 0.719 1.869 -15.953 12 HB3 MET 2 HB1 MET 2 -0.048 1.149 -14.486 13 HG2 MET 2 HG2 MET 2 -1.731 3.009 -14.436 14 HG3 MET 2 HG1 MET 2 -0.986 3.744 -15.889 15 HE1 MET 2 HE1 MET 2 -1.926 1.582 -18.860 16 HE2 MET 2 HE2 MET 2 -0.415 2.074 -18.029 17 HE3 MET 2 HE3 MET 2 -1.731 3.269 -18.275 18 H ARG 3 HN ARG 3 1.149 1.613 -11.928 19 HA ARG 3 HA ARG 3 3.996 1.065 -12.040 20 HB2 ARG 3 HB2 ARG 3 1.898 0.259 -9.925 21 HB3 ARG 3 HB1 ARG 3 3.678 0.057 -9.747 22 HG2 ARG 3 HG2 ARG 3 2.181 2.741 -10.015 23 HG3 ARG 3 HG1 ARG 3 2.778 2.011 -8.485 24 HD2 ARG 3 HD2 ARG 3 5.175 2.071 -9.513 25 HD3 ARG 3 HD1 ARG 3 4.475 3.066 -10.864 26 HE ARG 3 HE ARG 3 3.659 4.261 -8.364 27 HH11 ARG 3 HH11 ARG 3 6.688 3.743 -10.262 28 HH12 ARG 3 HH12 ARG 3 7.474 5.153 -9.632 29 HH21 ARG 3 HH21 ARG 3 4.769 6.147 -7.549 30 HH22 ARG 3 HH22 ARG 3 6.374 6.528 -8.080 31 H LEU 4 HN LEU 4 1.194 -0.432 -13.148 32 HA LEU 4 HA LEU 4 2.266 -3.114 -12.847 33 HB2 LEU 4 HB2 LEU 4 -0.227 -2.015 -14.239 34 HB3 LEU 4 HB1 LEU 4 0.206 -3.762 -14.073 35 HG LEU 4 HG LEU 4 0.479 -2.887 -11.465 36 HD11 LEU 4 HD11 LEU 4 -1.758 -1.654 -10.932 37 HD12 LEU 4 HD12 LEU 4 -1.745 -1.161 -12.669 38 HD13 LEU 4 HD13 LEU 4 -0.368 -0.689 -11.583 39 HD21 LEU 4 HD21 LEU 4 -2.087 -4.061 -12.716 40 HD22 LEU 4 HD22 LEU 4 -1.562 -4.207 -10.994 41 HD23 LEU 4 HD23 LEU 4 -0.593 -4.994 -12.308 42 H SER 5 HN SER 5 2.016 -0.455 -15.146 43 HA SER 5 HA SER 5 2.907 -2.062 -17.308 44 HB2 SER 5 HB2 SER 5 2.855 1.004 -17.116 45 HB3 SER 5 HB1 SER 5 3.192 0.017 -18.601 46 HG SER 5 HG SER 5 0.957 -0.881 -17.568 47 H LYS 6 HN LYS 6 4.297 -0.604 -14.460 48 HA LYS 6 HA LYS 6 6.861 -0.330 -15.641 49 HB2 LYS 6 HB2 LYS 6 6.136 1.321 -13.950 50 HB3 LYS 6 HB1 LYS 6 5.847 0.003 -12.785 51 HG2 LYS 6 HG2 LYS 6 8.680 0.078 -13.785 52 HG3 LYS 6 HG1 LYS 6 8.168 1.593 -12.965 53 HD2 LYS 6 HD2 LYS 6 7.432 0.299 -10.967 54 HD3 LYS 6 HD1 LYS 6 7.853 -1.245 -11.788 55 HE2 LYS 6 HE2 LYS 6 10.291 -0.568 -11.829 56 HE3 LYS 6 HE1 LYS 6 9.873 1.008 -11.039 57 HZ1 LYS 6 HZ1 LYS 6 10.101 -1.655 -9.921 58 HZ2 LYS 6 HZ2 LYS 6 8.763 -0.765 -9.370 59 HZ3 LYS 6 HZ3 LYS 6 10.330 -0.129 -9.210 60 H PHE 7 HN PHE 7 4.939 -2.576 -13.666 61 HA PHE 7 HA PHE 7 6.948 -4.306 -12.785 62 HB2 PHE 7 HB2 PHE 7 4.034 -4.258 -12.701 63 HB3 PHE 7 HB1 PHE 7 4.538 -5.891 -13.214 64 HD1 PHE 7 HD1 PHE 7 4.079 -3.681 -10.372 65 HD2 PHE 7 HD2 PHE 7 6.159 -7.073 -11.905 66 HE1 PHE 7 HE1 PHE 7 4.550 -4.464 -8.093 67 HE2 PHE 7 HE2 PHE 7 6.616 -7.833 -9.703 68 HZ PHE 7 HZ PHE 7 5.822 -6.547 -7.728 69 H PHE 8 HN PHE 8 4.589 -4.677 -15.390 70 HA PHE 8 HA PHE 8 5.704 -7.126 -16.175 71 HB2 PHE 8 HB2 PHE 8 4.588 -5.480 -18.307 72 HB3 PHE 8 HB1 PHE 8 4.251 -7.173 -17.861 73 HD1 PHE 8 HD1 PHE 8 3.222 -4.312 -18.667 74 HD2 PHE 8 HD2 PHE 8 2.627 -7.149 -15.565 75 HE1 PHE 8 HE1 PHE 8 1.146 -3.480 -18.383 76 HE2 PHE 8 HE2 PHE 8 0.415 -6.270 -15.252 77 HZ PHE 8 HZ PHE 8 -0.370 -4.435 -16.674 78 H ARG 9 HN ARG 9 6.423 -3.783 -16.823 79 HA ARG 9 HA ARG 9 7.307 -3.966 -19.372 80 HB2 ARG 9 HB2 ARG 9 6.911 -2.089 -17.610 81 HB3 ARG 9 HB1 ARG 9 8.586 -2.336 -17.110 82 HG2 ARG 9 HG2 ARG 9 9.336 -1.638 -19.407 83 HG3 ARG 9 HG1 ARG 9 7.605 -1.365 -19.845 84 HD2 ARG 9 HD2 ARG 9 7.387 0.394 -18.004 85 HD3 ARG 9 HD1 ARG 9 9.130 0.115 -17.549 86 HE ARG 9 HE ARG 9 9.018 0.720 -20.379 87 HH11 ARG 9 HH11 ARG 9 8.493 2.352 -17.201 88 HH12 ARG 9 HH12 ARG 9 8.962 3.915 -17.780 89 HH21 ARG 9 HH21 ARG 9 9.648 2.853 -21.102 90 HH22 ARG 9 HH22 ARG 9 9.624 4.200 -20.015 91 H ASP 10 HN ASP 10 8.976 -4.530 -16.302 92 HA ASP 10 HA ASP 10 11.377 -5.298 -17.583 93 HB2 ASP 10 HB2 ASP 10 10.568 -5.224 -14.596 94 HB3 ASP 10 HB1 ASP 10 12.199 -5.741 -15.156 95 H ALA 11 HN ALA 11 8.387 -6.872 -17.074 96 HA ALA 11 HA ALA 11 9.682 -9.437 -16.445 97 HB1 ALA 11 HB1 ALA 11 7.529 -10.291 -15.889 98 HB2 ALA 11 HB2 ALA 11 6.694 -8.997 -16.842 99 HB3 ALA 11 HB3 ALA 11 7.497 -8.591 -15.276 100 H ILE 12 HN ILE 12 7.573 -7.953 -18.902 101 HA ILE 12 HA ILE 12 7.640 -10.347 -20.525 102 HB ILE 12 HB ILE 12 6.398 -7.589 -20.994 103 HG12 ILE 12 HG12 ILE 12 5.165 -10.075 -19.656 104 HG13 ILE 12 HG11 ILE 12 5.598 -8.484 -18.912 105 HG21 ILE 12 HG21 ILE 12 6.549 -8.882 -23.149 106 HG22 ILE 12 HG22 ILE 12 4.837 -8.914 -22.624 107 HG23 ILE 12 HG23 ILE 12 5.877 -10.364 -22.371 108 HD11 ILE 12 HD11 ILE 12 3.885 -7.327 -20.355 109 HD12 ILE 12 HD12 ILE 12 3.146 -8.581 -19.286 110 HD13 ILE 12 HD13 ILE 12 3.374 -8.924 -21.040 111 H LEU 13 HN LEU 13 8.846 -6.998 -20.453 112 HA LEU 13 HA LEU 13 9.677 -7.175 -23.200 113 HB2 LEU 13 HB2 LEU 13 10.092 -4.907 -21.182 114 HB3 LEU 13 HB1 LEU 13 10.203 -4.770 -22.993 115 HG LEU 13 HG LEU 13 7.739 -5.202 -21.205 116 HD11 LEU 13 HD11 LEU 13 7.000 -3.021 -21.766 117 HD12 LEU 13 HD12 LEU 13 8.116 -2.874 -23.186 118 HD13 LEU 13 HD13 LEU 13 8.780 -2.853 -21.508 119 HD21 LEU 13 HD21 LEU 13 6.328 -4.896 -23.445 120 HD22 LEU 13 HD22 LEU 13 7.019 -6.516 -23.089 121 HD23 LEU 13 HD23 LEU 13 7.826 -5.443 -24.296 122 H GLN 14 HN GLN 14 10.990 -8.246 -20.318 123 HA GLN 14 HA GLN 14 13.707 -7.439 -21.145 124 HB2 GLN 14 HB2 GLN 14 12.469 -8.632 -18.682 125 HB3 GLN 14 HB1 GLN 14 14.163 -9.128 -19.050 126 HG2 GLN 14 HG2 GLN 14 14.527 -6.484 -19.405 127 HG3 GLN 14 HG1 GLN 14 12.996 -6.371 -18.471 128 HE21 GLN 14 HE21 GLN 14 16.268 -8.068 -18.316 129 HE22 GLN 14 HE22 GLN 14 16.449 -7.935 -16.600 130 H ARG 15 HN ARG 15 11.308 -9.765 -21.703 131 HA ARG 15 HA ARG 15 13.134 -11.954 -22.217 132 HB2 ARG 15 HB2 ARG 15 10.243 -11.579 -23.185 133 HB3 ARG 15 HB1 ARG 15 11.146 -13.137 -23.053 134 HG2 ARG 15 HG2 ARG 15 11.249 -12.877 -20.568 135 HG3 ARG 15 HG1 ARG 15 10.414 -11.276 -20.716 136 HD2 ARG 15 HD2 ARG 15 8.353 -12.266 -21.447 137 HD3 ARG 15 HD1 ARG 15 9.103 -13.907 -21.702 138 HE ARG 15 HE ARG 15 9.506 -13.203 -18.953 139 HH11 ARG 15 HH11 ARG 15 6.717 -13.874 -21.148 140 HH12 ARG 15 HH12 ARG 15 5.690 -14.451 -19.877 141 HH21 ARG 15 HH21 ARG 15 8.071 -13.990 -17.279 142 HH22 ARG 15 HH22 ARG 15 6.466 -14.515 -17.664 143 H LYS 16 HN LYS 16 11.356 -9.436 -24.065 144 HA LYS 16 HA LYS 16 12.939 -10.131 -26.452 145 HB2 LYS 16 HB2 LYS 16 10.346 -8.564 -25.909 146 HB3 LYS 16 HB1 LYS 16 11.271 -8.264 -27.419 147 HG2 LYS 16 HG2 LYS 16 9.455 -9.816 -27.858 148 HG3 LYS 16 HG1 LYS 16 11.019 -10.664 -28.071 149 HD2 LYS 16 HD2 LYS 16 10.711 -11.968 -26.018 150 HD3 LYS 16 HD1 LYS 16 9.403 -10.886 -25.441 151 HE2 LYS 16 HE2 LYS 16 8.342 -12.956 -26.203 152 HE3 LYS 16 HE1 LYS 16 7.952 -11.698 -27.442 153 HZ1 LYS 16 HZ1 LYS 16 8.590 -13.544 -28.637 154 HZ2 LYS 16 HZ2 LYS 16 9.868 -13.954 -27.597 155 HZ3 LYS 16 HZ3 LYS 16 10.009 -12.610 -28.627 156 H LYS 17 HN LYS 17 14.978 -9.132 -26.168 157 HA LYS 17 HA LYS 17 15.018 -6.254 -26.131 158 HB2 LYS 17 HB2 LYS 17 15.502 -7.749 -23.573 159 HB3 LYS 17 HB1 LYS 17 16.957 -6.823 -24.056 160 HG2 LYS 17 HG2 LYS 17 14.189 -5.452 -23.939 161 HG3 LYS 17 HG1 LYS 17 15.135 -5.720 -22.438 162 HD2 LYS 17 HD2 LYS 17 17.079 -4.444 -23.482 163 HD3 LYS 17 HD1 LYS 17 16.070 -4.134 -24.939 164 HE2 LYS 17 HE2 LYS 17 14.412 -2.853 -23.530 165 HE3 LYS 17 HE1 LYS 17 15.420 -3.172 -22.057 166 HZ1 LYS 17 HZ1 LYS 17 15.943 -1.048 -22.866 167 HZ2 LYS 17 HZ2 LYS 17 16.140 -1.582 -24.466 168 HZ3 LYS 17 HZ3 LYS 17 17.260 -2.039 -23.274 Start of MODEL 12 1 H1 GLU 1 HT1 GLU 1 3.816 7.756 -15.054 2 H2 GLU 1 HT2 GLU 1 3.974 6.079 -15.268 3 H3 GLU 1 HT3 GLU 1 3.508 6.701 -13.759 4 HA GLU 1 HA GLU 1 1.522 7.641 -14.829 5 HB2 GLU 1 HB2 GLU 1 2.597 5.914 -17.152 6 HB3 GLU 1 HB1 GLU 1 0.839 6.296 -17.019 7 HG2 GLU 1 HG2 GLU 1 1.353 8.775 -17.084 8 HG3 GLU 1 HG1 GLU 1 3.115 8.407 -17.227 9 H MET 2 HN MET 2 2.539 4.158 -15.525 10 HA MET 2 HA MET 2 0.581 3.333 -13.467 11 HB2 MET 2 HB2 MET 2 1.091 1.941 -16.171 12 HB3 MET 2 HB1 MET 2 0.104 1.252 -14.825 13 HG2 MET 2 HG2 MET 2 -1.504 3.175 -15.032 14 HG3 MET 2 HG1 MET 2 -0.528 3.854 -16.376 15 HE1 MET 2 HE1 MET 2 -3.779 2.703 -18.161 16 HE2 MET 2 HE2 MET 2 -2.607 4.030 -17.851 17 HE3 MET 2 HE3 MET 2 -3.597 3.372 -16.502 18 H ARG 3 HN ARG 3 1.217 1.619 -12.158 19 HA ARG 3 HA ARG 3 4.056 1.021 -12.209 20 HB2 ARG 3 HB2 ARG 3 1.871 0.277 -10.166 21 HB3 ARG 3 HB1 ARG 3 3.626 -0.069 -9.952 22 HG2 ARG 3 HG2 ARG 3 2.425 2.754 -10.267 23 HG3 ARG 3 HG1 ARG 3 2.751 1.946 -8.693 24 HD2 ARG 3 HD2 ARG 3 5.223 1.717 -9.384 25 HD3 ARG 3 HD1 ARG 3 4.852 2.716 -10.859 26 HE ARG 3 HE ARG 3 3.871 4.154 -8.568 27 HH11 ARG 3 HH11 ARG 3 7.048 3.062 -9.896 28 HH12 ARG 3 HH12 ARG 3 7.928 4.396 -9.229 29 HH21 ARG 3 HH21 ARG 3 5.106 5.925 -7.695 30 HH22 ARG 3 HH22 ARG 3 6.812 6.039 -7.965 31 H LEU 4 HN LEU 4 1.237 -0.406 -13.398 32 HA LEU 4 HA LEU 4 2.262 -3.103 -13.077 33 HB2 LEU 4 HB2 LEU 4 -0.214 -1.936 -14.428 34 HB3 LEU 4 HB1 LEU 4 0.186 -3.699 -14.348 35 HG LEU 4 HG LEU 4 0.558 -2.894 -11.715 36 HD11 LEU 4 HD11 LEU 4 -1.689 -1.142 -12.802 37 HD12 LEU 4 HD12 LEU 4 -0.304 -0.727 -11.706 38 HD13 LEU 4 HD13 LEU 4 -1.690 -1.716 -11.088 39 HD21 LEU 4 HD21 LEU 4 -1.435 -4.258 -11.199 40 HD22 LEU 4 HD22 LEU 4 -0.498 -4.998 -12.560 41 HD23 LEU 4 HD23 LEU 4 -2.023 -4.089 -12.899 42 H SER 5 HN SER 5 2.088 -0.480 -15.415 43 HA SER 5 HA SER 5 2.972 -2.160 -17.522 44 HB2 SER 5 HB2 SER 5 3.005 0.905 -17.420 45 HB3 SER 5 HB1 SER 5 3.316 -0.141 -18.868 46 HG SER 5 HG SER 5 1.088 -1.007 -18.031 47 H LYS 6 HN LYS 6 4.334 -0.616 -14.699 48 HA LYS 6 HA LYS 6 6.933 -0.450 -15.808 49 HB2 LYS 6 HB2 LYS 6 6.174 1.271 -14.195 50 HB3 LYS 6 HB1 LYS 6 5.880 -0.009 -12.988 51 HG2 LYS 6 HG2 LYS 6 8.707 0.016 -13.995 52 HG3 LYS 6 HG1 LYS 6 8.209 1.564 -13.223 53 HD2 LYS 6 HD2 LYS 6 7.518 0.397 -11.171 54 HD3 LYS 6 HD1 LYS 6 7.785 -1.209 -11.940 55 HE2 LYS 6 HE2 LYS 6 10.274 -0.694 -12.110 56 HE3 LYS 6 HE1 LYS 6 9.986 0.900 -11.296 57 HZ1 LYS 6 HZ1 LYS 6 10.727 -1.078 -9.913 58 HZ2 LYS 6 HZ2 LYS 6 9.135 -1.651 -10.057 59 HZ3 LYS 6 HZ3 LYS 6 9.434 -0.145 -9.331 60 H PHE 7 HN PHE 7 4.919 -2.600 -13.829 61 HA PHE 7 HA PHE 7 6.870 -4.336 -12.835 62 HB2 PHE 7 HB2 PHE 7 3.952 -4.259 -12.889 63 HB3 PHE 7 HB1 PHE 7 4.468 -5.907 -13.327 64 HD1 PHE 7 HD1 PHE 7 3.857 -3.623 -10.575 65 HD2 PHE 7 HD2 PHE 7 6.003 -7.060 -11.895 66 HE1 PHE 7 HE1 PHE 7 4.158 -4.360 -8.258 67 HE2 PHE 7 HE2 PHE 7 6.300 -7.775 -9.656 68 HZ PHE 7 HZ PHE 7 5.385 -6.443 -7.762 69 H PHE 8 HN PHE 8 4.601 -4.722 -15.523 70 HA PHE 8 HA PHE 8 5.721 -7.204 -16.199 71 HB2 PHE 8 HB2 PHE 8 4.673 -5.656 -18.423 72 HB3 PHE 8 HB1 PHE 8 4.297 -7.318 -17.894 73 HD1 PHE 8 HD1 PHE 8 3.355 -4.441 -18.838 74 HD2 PHE 8 HD2 PHE 8 2.591 -7.190 -15.696 75 HE1 PHE 8 HE1 PHE 8 1.290 -3.553 -18.643 76 HE2 PHE 8 HE2 PHE 8 0.387 -6.254 -15.478 77 HZ PHE 8 HZ PHE 8 -0.308 -4.437 -16.968 78 H ARG 9 HN ARG 9 6.486 -3.880 -16.883 79 HA ARG 9 HA ARG 9 7.473 -4.116 -19.393 80 HB2 ARG 9 HB2 ARG 9 7.174 -2.239 -17.495 81 HB3 ARG 9 HB1 ARG 9 8.908 -2.477 -17.253 82 HG2 ARG 9 HG2 ARG 9 9.336 -1.731 -19.598 83 HG3 ARG 9 HG1 ARG 9 7.555 -1.567 -19.859 84 HD2 ARG 9 HD2 ARG 9 7.457 0.178 -17.956 85 HD3 ARG 9 HD1 ARG 9 9.271 0.066 -17.821 86 HE ARG 9 HE ARG 9 8.732 0.620 -20.565 87 HH11 ARG 9 HH11 ARG 9 8.119 2.230 -17.384 88 HH12 ARG 9 HH12 ARG 9 8.190 3.833 -18.035 89 HH21 ARG 9 HH21 ARG 9 8.817 2.814 -21.382 90 HH22 ARG 9 HH22 ARG 9 8.589 4.166 -20.324 91 H ASP 10 HN ASP 10 8.946 -4.724 -16.242 92 HA ASP 10 HA ASP 10 11.384 -5.568 -17.418 93 HB2 ASP 10 HB2 ASP 10 10.513 -5.544 -14.443 94 HB3 ASP 10 HB1 ASP 10 12.169 -5.966 -15.019 95 H ALA 11 HN ALA 11 8.346 -7.053 -17.013 96 HA ALA 11 HA ALA 11 9.555 -9.640 -16.304 97 HB1 ALA 11 HB1 ALA 11 7.337 -8.714 -15.230 98 HB2 ALA 11 HB2 ALA 11 7.378 -10.436 -15.780 99 HB3 ALA 11 HB3 ALA 11 6.589 -9.172 -16.809 100 H ILE 12 HN ILE 12 7.646 -8.094 -18.870 101 HA ILE 12 HA ILE 12 7.754 -10.495 -20.505 102 HB ILE 12 HB ILE 12 6.564 -7.721 -21.031 103 HG12 ILE 12 HG12 ILE 12 5.225 -10.175 -19.739 104 HG13 ILE 12 HG11 ILE 12 5.664 -8.595 -18.977 105 HG21 ILE 12 HG21 ILE 12 5.052 -9.077 -22.706 106 HG22 ILE 12 HG22 ILE 12 6.109 -10.504 -22.412 107 HG23 ILE 12 HG23 ILE 12 6.787 -9.014 -23.164 108 HD11 ILE 12 HD11 ILE 12 3.231 -8.625 -19.452 109 HD12 ILE 12 HD12 ILE 12 3.521 -8.986 -21.194 110 HD13 ILE 12 HD13 ILE 12 4.046 -7.398 -20.498 111 H LEU 13 HN LEU 13 8.957 -7.132 -20.341 112 HA LEU 13 HA LEU 13 9.942 -7.303 -23.036 113 HB2 LEU 13 HB2 LEU 13 10.201 -5.008 -21.032 114 HB3 LEU 13 HB1 LEU 13 10.426 -4.899 -22.835 115 HG LEU 13 HG LEU 13 7.865 -5.350 -21.201 116 HD11 LEU 13 HD11 LEU 13 7.174 -3.189 -21.733 117 HD12 LEU 13 HD12 LEU 13 8.194 -3.071 -23.224 118 HD13 LEU 13 HD13 LEU 13 8.963 -2.978 -21.595 119 HD21 LEU 13 HD21 LEU 13 6.595 -5.129 -23.532 120 HD22 LEU 13 HD22 LEU 13 7.302 -6.721 -23.096 121 HD23 LEU 13 HD23 LEU 13 8.154 -5.655 -24.273 122 H GLN 14 HN GLN 14 11.150 -8.280 -20.035 123 HA GLN 14 HA GLN 14 13.875 -7.436 -20.775 124 HB2 GLN 14 HB2 GLN 14 12.616 -8.860 -18.431 125 HB3 GLN 14 HB1 GLN 14 14.375 -9.119 -18.735 126 HG2 GLN 14 HG2 GLN 14 13.187 -6.290 -18.736 127 HG3 GLN 14 HG1 GLN 14 13.516 -7.120 -17.163 128 HE21 GLN 14 HE21 GLN 14 15.826 -8.043 -16.869 129 HE22 GLN 14 HE22 GLN 14 17.150 -7.150 -17.541 130 H ARG 15 HN ARG 15 11.541 -9.757 -21.514 131 HA ARG 15 HA ARG 15 13.497 -11.793 -22.225 132 HB2 ARG 15 HB2 ARG 15 10.559 -11.795 -23.035 133 HB3 ARG 15 HB1 ARG 15 11.644 -13.202 -22.717 134 HG2 ARG 15 HG2 ARG 15 11.674 -12.576 -20.262 135 HG3 ARG 15 HG1 ARG 15 10.574 -11.194 -20.641 136 HD2 ARG 15 HD2 ARG 15 9.184 -12.982 -19.779 137 HD3 ARG 15 HD1 ARG 15 8.876 -12.891 -21.563 138 HE ARG 15 HE ARG 15 10.983 -14.836 -21.021 139 HH11 ARG 15 HH11 ARG 15 7.413 -14.420 -20.703 140 HH12 ARG 15 HH12 ARG 15 7.073 -16.115 -20.800 141 HH21 ARG 15 HH21 ARG 15 10.468 -17.117 -21.160 142 HH22 ARG 15 HH22 ARG 15 8.827 -17.661 -21.062 143 H LYS 16 HN LYS 16 11.213 -9.441 -23.730 144 HA LYS 16 HA LYS 16 12.599 -9.845 -26.299 145 HB2 LYS 16 HB2 LYS 16 9.831 -8.895 -25.418 146 HB3 LYS 16 HB1 LYS 16 10.494 -8.231 -26.947 147 HG2 LYS 16 HG2 LYS 16 9.062 -10.119 -27.460 148 HG3 LYS 16 HG1 LYS 16 10.753 -10.553 -27.858 149 HD2 LYS 16 HD2 LYS 16 10.892 -11.945 -25.729 150 HD3 LYS 16 HD1 LYS 16 9.207 -11.461 -25.320 151 HE2 LYS 16 HE2 LYS 16 8.348 -12.646 -27.366 152 HE3 LYS 16 HE1 LYS 16 10.044 -13.078 -27.840 153 HZ1 LYS 16 HZ1 LYS 16 9.708 -13.895 -25.213 154 HZ2 LYS 16 HZ2 LYS 16 9.804 -14.859 -26.609 155 HZ3 LYS 16 HZ3 LYS 16 8.290 -14.357 -26.026 156 H LYS 17 HN LYS 17 14.452 -8.551 -26.239 157 HA LYS 17 HA LYS 17 14.014 -5.689 -26.122 158 HB2 LYS 17 HB2 LYS 17 15.092 -7.113 -23.748 159 HB3 LYS 17 HB1 LYS 17 16.387 -6.093 -24.448 160 HG2 LYS 17 HG2 LYS 17 13.608 -4.869 -23.927 161 HG3 LYS 17 HG1 LYS 17 14.716 -5.157 -22.546 162 HD2 LYS 17 HD2 LYS 17 16.497 -3.776 -23.789 163 HD3 LYS 17 HD1 LYS 17 15.255 -3.403 -25.038 164 HE2 LYS 17 HE2 LYS 17 13.809 -2.297 -23.283 165 HE3 LYS 17 HE1 LYS 17 15.046 -2.691 -22.019 166 HZ1 LYS 17 HZ1 LYS 17 15.175 -0.427 -22.896 167 HZ2 LYS 17 HZ2 LYS 17 15.553 -1.031 -24.437 168 HZ3 LYS 17 HZ3 LYS 17 16.608 -1.304 -23.136 Start of MODEL 13 1 H1 GLU 1 HT1 GLU 1 3.168 7.434 -14.056 2 H2 GLU 1 HT2 GLU 1 3.626 7.223 -15.677 3 H3 GLU 1 HT3 GLU 1 3.528 5.881 -14.643 4 HA GLU 1 HA GLU 1 1.159 7.523 -14.982 5 HB2 GLU 1 HB2 GLU 1 2.264 5.575 -17.117 6 HB3 GLU 1 HB1 GLU 1 0.504 5.961 -17.012 7 HG2 GLU 1 HG2 GLU 1 0.997 8.413 -17.379 8 HG3 GLU 1 HG1 GLU 1 2.764 8.047 -17.479 9 H MET 2 HN MET 2 2.244 4.031 -15.435 10 HA MET 2 HA MET 2 0.441 3.309 -13.210 11 HB2 MET 2 HB2 MET 2 0.795 1.790 -15.872 12 HB3 MET 2 HB1 MET 2 -0.068 1.138 -14.430 13 HG2 MET 2 HG2 MET 2 -1.753 2.989 -14.597 14 HG3 MET 2 HG1 MET 2 -0.898 3.649 -16.032 15 HE1 MET 2 HE1 MET 2 -3.104 3.690 -17.341 16 HE2 MET 2 HE2 MET 2 -3.963 3.034 -15.904 17 HE3 MET 2 HE3 MET 2 -4.232 2.302 -17.524 18 H ARG 3 HN ARG 3 1.183 1.610 -11.884 19 HA ARG 3 HA ARG 3 4.041 1.119 -12.067 20 HB2 ARG 3 HB2 ARG 3 2.047 0.270 -9.873 21 HB3 ARG 3 HB1 ARG 3 3.842 0.169 -9.759 22 HG2 ARG 3 HG2 ARG 3 2.154 2.740 -9.962 23 HG3 ARG 3 HG1 ARG 3 2.948 2.091 -8.486 24 HD2 ARG 3 HD2 ARG 3 5.228 2.324 -9.748 25 HD3 ARG 3 HD1 ARG 3 4.317 3.243 -11.024 26 HE ARG 3 HE ARG 3 3.673 4.386 -8.443 27 HH11 ARG 3 HH11 ARG 3 6.477 4.134 -10.706 28 HH12 ARG 3 HH12 ARG 3 7.191 5.625 -10.191 29 HH21 ARG 3 HH21 ARG 3 4.682 6.391 -7.790 30 HH22 ARG 3 HH22 ARG 3 6.161 6.917 -8.521 31 H LEU 4 HN LEU 4 1.243 -0.413 -13.107 32 HA LEU 4 HA LEU 4 2.336 -3.085 -12.811 33 HB2 LEU 4 HB2 LEU 4 -0.186 -2.006 -14.166 34 HB3 LEU 4 HB1 LEU 4 0.261 -3.750 -14.007 35 HG LEU 4 HG LEU 4 0.570 -2.857 -11.401 36 HD11 LEU 4 HD11 LEU 4 -1.657 -1.651 -10.831 37 HD12 LEU 4 HD12 LEU 4 -1.726 -1.201 -12.578 38 HD13 LEU 4 HD13 LEU 4 -0.322 -0.666 -11.559 39 HD21 LEU 4 HD21 LEU 4 -1.992 -4.084 -12.609 40 HD22 LEU 4 HD22 LEU 4 -1.442 -4.208 -10.893 41 HD23 LEU 4 HD23 LEU 4 -0.477 -4.989 -12.213 42 H SER 5 HN SER 5 2.044 -0.444 -15.127 43 HA SER 5 HA SER 5 2.904 -2.070 -17.290 44 HB2 SER 5 HB2 SER 5 2.867 0.998 -17.140 45 HB3 SER 5 HB1 SER 5 3.157 -0.016 -18.615 46 HG SER 5 HG SER 5 0.932 -0.861 -17.497 47 H LYS 6 HN LYS 6 4.327 -0.589 -14.475 48 HA LYS 6 HA LYS 6 6.876 -0.317 -15.691 49 HB2 LYS 6 HB2 LYS 6 6.185 1.360 -14.024 50 HB3 LYS 6 HB1 LYS 6 5.873 0.066 -12.841 51 HG2 LYS 6 HG2 LYS 6 8.713 0.093 -13.824 52 HG3 LYS 6 HG1 LYS 6 8.209 1.624 -13.027 53 HD2 LYS 6 HD2 LYS 6 7.447 0.366 -11.018 54 HD3 LYS 6 HD1 LYS 6 7.855 -1.194 -11.814 55 HE2 LYS 6 HE2 LYS 6 10.299 -0.555 -11.843 56 HE3 LYS 6 HE1 LYS 6 9.899 1.043 -11.090 57 HZ1 LYS 6 HZ1 LYS 6 8.770 -1.039 -9.562 58 HZ2 LYS 6 HZ2 LYS 6 9.963 0.093 -9.136 59 HZ3 LYS 6 HZ3 LYS 6 10.407 -1.386 -9.842 60 H PHE 7 HN PHE 7 4.975 -2.554 -13.688 61 HA PHE 7 HA PHE 7 7.002 -4.271 -12.809 62 HB2 PHE 7 HB2 PHE 7 4.087 -4.230 -12.703 63 HB3 PHE 7 HB1 PHE 7 4.596 -5.866 -13.198 64 HD1 PHE 7 HD1 PHE 7 4.156 -3.616 -10.382 65 HD2 PHE 7 HD2 PHE 7 6.226 -7.026 -11.886 66 HE1 PHE 7 HE1 PHE 7 4.647 -4.365 -8.098 67 HE2 PHE 7 HE2 PHE 7 6.702 -7.755 -9.680 68 HZ PHE 7 HZ PHE 7 5.923 -6.442 -7.714 69 H PHE 8 HN PHE 8 4.611 -4.667 -15.381 70 HA PHE 8 HA PHE 8 5.720 -7.120 -16.161 71 HB2 PHE 8 HB2 PHE 8 4.572 -5.499 -18.294 72 HB3 PHE 8 HB1 PHE 8 4.240 -7.186 -17.822 73 HD1 PHE 8 HD1 PHE 8 3.202 -4.329 -18.642 74 HD2 PHE 8 HD2 PHE 8 2.650 -7.139 -15.509 75 HE1 PHE 8 HE1 PHE 8 1.130 -3.491 -18.334 76 HE2 PHE 8 HE2 PHE 8 0.442 -6.255 -15.171 77 HZ PHE 8 HZ PHE 8 -0.361 -4.432 -16.595 78 H ARG 9 HN ARG 9 6.417 -3.783 -16.841 79 HA ARG 9 HA ARG 9 7.275 -3.970 -19.395 80 HB2 ARG 9 HB2 ARG 9 6.895 -2.089 -17.647 81 HB3 ARG 9 HB1 ARG 9 8.564 -2.349 -17.134 82 HG2 ARG 9 HG2 ARG 9 9.330 -1.659 -19.432 83 HG3 ARG 9 HG1 ARG 9 7.604 -1.358 -19.868 84 HD2 ARG 9 HD2 ARG 9 7.410 0.387 -18.010 85 HD3 ARG 9 HD1 ARG 9 9.148 0.078 -17.556 86 HE ARG 9 HE ARG 9 9.024 0.725 -20.383 87 HH11 ARG 9 HH11 ARG 9 8.616 2.296 -17.157 88 HH12 ARG 9 HH12 ARG 9 9.109 3.861 -17.713 89 HH21 ARG 9 HH21 ARG 9 9.688 2.859 -21.076 90 HH22 ARG 9 HH22 ARG 9 9.722 4.181 -19.957 91 H ASP 10 HN ASP 10 8.959 -4.541 -16.340 92 HA ASP 10 HA ASP 10 11.362 -5.287 -17.628 93 HB2 ASP 10 HB2 ASP 10 10.569 -5.301 -14.635 94 HB3 ASP 10 HB1 ASP 10 12.218 -5.694 -15.234 95 H ALA 11 HN ALA 11 8.380 -6.877 -17.105 96 HA ALA 11 HA ALA 11 9.682 -9.440 -16.487 97 HB1 ALA 11 HB1 ALA 11 6.688 -9.012 -16.817 98 HB2 ALA 11 HB2 ALA 11 7.524 -8.544 -15.287 99 HB3 ALA 11 HB3 ALA 11 7.552 -10.267 -15.839 100 H ILE 12 HN ILE 12 7.576 -7.941 -18.934 101 HA ILE 12 HA ILE 12 7.598 -10.346 -20.559 102 HB ILE 12 HB ILE 12 6.347 -7.590 -20.999 103 HG12 ILE 12 HG12 ILE 12 5.139 -10.078 -19.643 104 HG13 ILE 12 HG11 ILE 12 5.579 -8.487 -18.906 105 HG21 ILE 12 HG21 ILE 12 4.751 -8.934 -22.595 106 HG22 ILE 12 HG22 ILE 12 5.828 -10.360 -22.381 107 HG23 ILE 12 HG23 ILE 12 6.454 -8.860 -23.158 108 HD11 ILE 12 HD11 ILE 12 3.124 -8.583 -19.238 109 HD12 ILE 12 HD12 ILE 12 3.320 -8.936 -20.994 110 HD13 ILE 12 HD13 ILE 12 3.842 -7.334 -20.325 111 H LEU 13 HN LEU 13 8.807 -6.995 -20.494 112 HA LEU 13 HA LEU 13 9.604 -7.160 -23.258 113 HB2 LEU 13 HB2 LEU 13 10.038 -4.904 -21.231 114 HB3 LEU 13 HB1 LEU 13 10.131 -4.758 -23.041 115 HG LEU 13 HG LEU 13 7.687 -5.199 -21.230 116 HD11 LEU 13 HD11 LEU 13 8.039 -2.873 -23.214 117 HD12 LEU 13 HD12 LEU 13 8.718 -2.851 -21.543 118 HD13 LEU 13 HD13 LEU 13 6.936 -3.022 -21.787 119 HD21 LEU 13 HD21 LEU 13 6.946 -6.516 -23.101 120 HD22 LEU 13 HD22 LEU 13 7.737 -5.447 -24.319 121 HD23 LEU 13 HD23 LEU 13 6.250 -4.894 -23.455 122 H GLN 14 HN GLN 14 10.955 -8.202 -20.360 123 HA GLN 14 HA GLN 14 13.660 -7.419 -21.232 124 HB2 GLN 14 HB2 GLN 14 12.444 -8.576 -18.746 125 HB3 GLN 14 HB1 GLN 14 14.136 -9.073 -19.120 126 HG2 GLN 14 HG2 GLN 14 14.490 -6.434 -19.519 127 HG3 GLN 14 HG1 GLN 14 12.968 -6.311 -18.571 128 HE21 GLN 14 HE21 GLN 14 16.242 -8.002 -18.428 129 HE22 GLN 14 HE22 GLN 14 16.443 -7.846 -16.717 130 H ARG 15 HN ARG 15 11.269 -9.763 -21.738 131 HA ARG 15 HA ARG 15 13.066 -11.973 -22.193 132 HB2 ARG 15 HB2 ARG 15 10.227 -11.580 -23.277 133 HB3 ARG 15 HB1 ARG 15 11.097 -13.145 -23.033 134 HG2 ARG 15 HG2 ARG 15 11.162 -12.641 -20.531 135 HG3 ARG 15 HG1 ARG 15 10.211 -11.146 -20.871 136 HD2 ARG 15 HD2 ARG 15 8.645 -12.813 -20.086 137 HD3 ARG 15 HD1 ARG 15 8.368 -12.636 -21.870 138 HE ARG 15 HE ARG 15 10.270 -14.787 -21.399 139 HH11 ARG 15 HH11 ARG 15 6.755 -14.059 -20.997 140 HH12 ARG 15 HH12 ARG 15 6.263 -15.711 -21.154 141 HH21 ARG 15 HH21 ARG 15 9.543 -17.003 -21.607 142 HH22 ARG 15 HH22 ARG 15 7.860 -17.395 -21.503 143 H LYS 16 HN LYS 16 11.408 -9.455 -24.129 144 HA LYS 16 HA LYS 16 13.048 -10.204 -26.455 145 HB2 LYS 16 HB2 LYS 16 10.464 -8.611 -25.977 146 HB3 LYS 16 HB1 LYS 16 11.444 -8.263 -27.439 147 HG2 LYS 16 HG2 LYS 16 9.650 -9.778 -28.014 148 HG3 LYS 16 HG1 LYS 16 11.211 -10.639 -28.181 149 HD2 LYS 16 HD2 LYS 16 10.767 -11.877 -26.011 150 HD3 LYS 16 HD1 LYS 16 9.244 -10.940 -25.795 151 HE2 LYS 16 HE2 LYS 16 8.294 -11.975 -27.896 152 HE3 LYS 16 HE1 LYS 16 9.837 -12.892 -28.142 153 HZ1 LYS 16 HZ1 LYS 16 7.758 -13.890 -26.912 154 HZ2 LYS 16 HZ2 LYS 16 8.482 -13.159 -25.559 155 HZ3 LYS 16 HZ3 LYS 16 9.349 -14.295 -26.477 156 H LYS 17 HN LYS 17 15.104 -9.263 -26.093 157 HA LYS 17 HA LYS 17 15.220 -6.380 -25.998 158 HB2 LYS 17 HB2 LYS 17 15.627 -7.985 -23.482 159 HB3 LYS 17 HB1 LYS 17 17.085 -7.032 -23.896 160 HG2 LYS 17 HG2 LYS 17 14.318 -5.665 -23.801 161 HG3 LYS 17 HG1 LYS 17 15.198 -6.017 -22.278 162 HD2 LYS 17 HD2 LYS 17 17.185 -4.701 -23.165 163 HD3 LYS 17 HD1 LYS 17 16.244 -4.310 -24.649 164 HE2 LYS 17 HE2 LYS 17 14.528 -3.096 -23.248 165 HE3 LYS 17 HE1 LYS 17 15.466 -3.499 -21.750 166 HZ1 LYS 17 HZ1 LYS 17 17.099 -2.049 -22.301 167 HZ2 LYS 17 HZ2 LYS 17 15.769 -1.251 -22.991 168 HZ3 LYS 17 HZ3 LYS 17 16.831 -2.138 -23.975 Start of MODEL 14 1 H1 GLU 1 HT1 GLU 1 2.616 8.025 -12.809 2 H2 GLU 1 HT2 GLU 1 2.997 6.458 -13.340 3 H3 GLU 1 HT3 GLU 1 2.217 6.682 -11.849 4 HA GLU 1 HA GLU 1 0.268 7.478 -12.883 5 HB2 GLU 1 HB2 GLU 1 1.960 7.241 -15.454 6 HB3 GLU 1 HB1 GLU 1 0.158 7.216 -15.536 7 HG2 GLU 1 HG2 GLU 1 0.063 9.486 -14.417 8 HG3 GLU 1 HG1 GLU 1 1.868 9.527 -14.350 9 H MET 2 HN MET 2 2.170 4.945 -14.756 10 HA MET 2 HA MET 2 0.104 2.987 -13.939 11 HB2 MET 2 HB2 MET 2 1.724 3.086 -16.560 12 HB3 MET 2 HB1 MET 2 0.622 1.749 -16.070 13 HG2 MET 2 HG2 MET 2 -1.326 3.335 -16.104 14 HG3 MET 2 HG1 MET 2 -0.234 4.674 -16.592 15 HE1 MET 2 HE1 MET 2 -2.870 3.979 -18.081 16 HE2 MET 2 HE2 MET 2 -2.350 4.141 -19.793 17 HE3 MET 2 HE3 MET 2 -1.729 5.286 -18.555 18 H ARG 3 HN ARG 3 1.006 1.745 -12.368 19 HA ARG 3 HA ARG 3 3.866 1.264 -12.390 20 HB2 ARG 3 HB2 ARG 3 1.651 0.564 -10.376 21 HB3 ARG 3 HB1 ARG 3 3.367 0.074 -10.141 22 HG2 ARG 3 HG2 ARG 3 2.521 2.997 -10.549 23 HG3 ARG 3 HG1 ARG 3 2.519 2.188 -8.939 24 HD2 ARG 3 HD2 ARG 3 4.995 1.643 -9.219 25 HD3 ARG 3 HD1 ARG 3 5.001 2.540 -10.806 26 HE ARG 3 HE ARG 3 3.910 4.282 -8.760 27 HH11 ARG 3 HH11 ARG 3 7.052 2.771 -9.695 28 HH12 ARG 3 HH12 ARG 3 8.013 4.029 -8.991 29 HH21 ARG 3 HH21 ARG 3 5.256 5.949 -7.829 30 HH22 ARG 3 HH22 ARG 3 6.982 5.849 -7.922 31 H LEU 4 HN LEU 4 1.141 -0.314 -13.640 32 HA LEU 4 HA LEU 4 2.338 -2.936 -13.180 33 HB2 LEU 4 HB2 LEU 4 -0.068 -2.337 -14.927 34 HB3 LEU 4 HB1 LEU 4 0.394 -3.879 -14.105 35 HG LEU 4 HG LEU 4 -0.641 -1.299 -12.824 36 HD11 LEU 4 HD11 LEU 4 -1.858 -4.121 -12.990 37 HD12 LEU 4 HD12 LEU 4 -2.357 -2.668 -13.940 38 HD13 LEU 4 HD13 LEU 4 -2.596 -2.700 -12.150 39 HD21 LEU 4 HD21 LEU 4 0.710 -3.689 -11.442 40 HD22 LEU 4 HD22 LEU 4 -0.682 -2.886 -10.619 41 HD23 LEU 4 HD23 LEU 4 0.786 -1.912 -11.044 42 H SER 5 HN SER 5 2.077 -0.366 -15.549 43 HA SER 5 HA SER 5 3.012 -1.920 -17.675 44 HB2 SER 5 HB2 SER 5 3.281 1.092 -17.265 45 HB3 SER 5 HB1 SER 5 3.673 0.182 -18.785 46 HG SER 5 HG SER 5 1.322 -0.594 -18.259 47 H LYS 6 HN LYS 6 4.439 -0.124 -14.928 48 HA LYS 6 HA LYS 6 7.058 -0.228 -15.806 49 HB2 LYS 6 HB2 LYS 6 6.224 1.414 -14.164 50 HB3 LYS 6 HB1 LYS 6 5.813 0.094 -13.040 51 HG2 LYS 6 HG2 LYS 6 8.721 0.131 -13.831 52 HG3 LYS 6 HG1 LYS 6 8.169 1.632 -13.010 53 HD2 LYS 6 HD2 LYS 6 7.294 0.328 -11.099 54 HD3 LYS 6 HD1 LYS 6 7.690 -1.217 -11.927 55 HE2 LYS 6 HE2 LYS 6 10.158 -0.633 -11.824 56 HE3 LYS 6 HE1 LYS 6 9.749 0.916 -10.978 57 HZ1 LYS 6 HZ1 LYS 6 10.247 -1.501 -9.830 58 HZ2 LYS 6 HZ2 LYS 6 8.556 -1.378 -9.741 59 HZ3 LYS 6 HZ3 LYS 6 9.533 -0.153 -9.084 60 H PHE 7 HN PHE 7 4.967 -2.448 -13.940 61 HA PHE 7 HA PHE 7 6.943 -4.188 -12.998 62 HB2 PHE 7 HB2 PHE 7 4.038 -4.081 -12.926 63 HB3 PHE 7 HB1 PHE 7 4.519 -5.734 -13.401 64 HD1 PHE 7 HD1 PHE 7 4.176 -3.402 -10.619 65 HD2 PHE 7 HD2 PHE 7 6.066 -6.938 -12.061 66 HE1 PHE 7 HE1 PHE 7 4.662 -4.112 -8.325 67 HE2 PHE 7 HE2 PHE 7 6.539 -7.628 -9.843 68 HZ PHE 7 HZ PHE 7 5.848 -6.234 -7.903 69 H PHE 8 HN PHE 8 4.706 -4.443 -15.740 70 HA PHE 8 HA PHE 8 5.782 -6.977 -16.342 71 HB2 PHE 8 HB2 PHE 8 4.755 -5.600 -18.635 72 HB3 PHE 8 HB1 PHE 8 4.300 -7.173 -17.936 73 HD1 PHE 8 HD1 PHE 8 3.608 -4.276 -19.100 74 HD2 PHE 8 HD2 PHE 8 2.513 -6.815 -15.885 75 HE1 PHE 8 HE1 PHE 8 1.612 -3.246 -19.059 76 HE2 PHE 8 HE2 PHE 8 0.361 -5.708 -15.820 77 HZ PHE 8 HZ PHE 8 -0.126 -3.939 -17.448 78 H ARG 9 HN ARG 9 6.647 -3.684 -17.065 79 HA ARG 9 HA ARG 9 7.639 -4.016 -19.607 80 HB2 ARG 9 HB2 ARG 9 7.744 -2.151 -17.394 81 HB3 ARG 9 HB1 ARG 9 9.374 -2.217 -18.101 82 HG2 ARG 9 HG2 ARG 9 8.576 -1.355 -20.227 83 HG3 ARG 9 HG1 ARG 9 6.852 -1.604 -19.765 84 HD2 ARG 9 HD2 ARG 9 6.939 0.231 -18.094 85 HD3 ARG 9 HD1 ARG 9 8.750 0.367 -18.268 86 HE ARG 9 HE ARG 9 7.617 0.760 -20.877 87 HH11 ARG 9 HH11 ARG 9 7.600 2.397 -17.660 88 HH12 ARG 9 HH12 ARG 9 7.398 3.983 -18.322 89 HH21 ARG 9 HH21 ARG 9 7.350 2.926 -21.717 90 HH22 ARG 9 HH22 ARG 9 7.256 4.285 -20.647 91 H ASP 10 HN ASP 10 9.054 -4.529 -16.425 92 HA ASP 10 HA ASP 10 11.497 -5.490 -17.533 93 HB2 ASP 10 HB2 ASP 10 10.559 -5.349 -14.587 94 HB3 ASP 10 HB1 ASP 10 12.202 -5.888 -15.103 95 H ALA 11 HN ALA 11 8.394 -6.876 -17.136 96 HA ALA 11 HA ALA 11 9.526 -9.478 -16.354 97 HB1 ALA 11 HB1 ALA 11 7.325 -10.210 -15.857 98 HB2 ALA 11 HB2 ALA 11 6.586 -8.958 -16.937 99 HB3 ALA 11 HB3 ALA 11 7.312 -8.474 -15.357 100 H ILE 12 HN ILE 12 7.746 -7.929 -19.006 101 HA ILE 12 HA ILE 12 7.779 -10.377 -20.572 102 HB ILE 12 HB ILE 12 6.747 -7.563 -21.194 103 HG12 ILE 12 HG12 ILE 12 5.230 -9.936 -19.947 104 HG13 ILE 12 HG11 ILE 12 5.724 -8.387 -19.162 105 HG21 ILE 12 HG21 ILE 12 7.006 -8.921 -23.298 106 HG22 ILE 12 HG22 ILE 12 5.256 -8.835 -22.927 107 HG23 ILE 12 HG23 ILE 12 6.176 -10.337 -22.551 108 HD11 ILE 12 HD11 ILE 12 3.653 -8.664 -21.458 109 HD12 ILE 12 HD12 ILE 12 4.245 -7.101 -20.764 110 HD13 ILE 12 HD13 ILE 12 3.325 -8.258 -19.731 111 H LEU 13 HN LEU 13 9.186 -7.109 -20.407 112 HA LEU 13 HA LEU 13 10.239 -7.372 -23.056 113 HB2 LEU 13 HB2 LEU 13 10.543 -5.053 -21.103 114 HB3 LEU 13 HB1 LEU 13 10.850 -5.000 -22.890 115 HG LEU 13 HG LEU 13 8.186 -5.304 -21.385 116 HD11 LEU 13 HD11 LEU 13 7.564 -3.126 -22.160 117 HD12 LEU 13 HD12 LEU 13 8.939 -3.040 -23.337 118 HD13 LEU 13 HD13 LEU 13 9.264 -2.999 -21.560 119 HD21 LEU 13 HD21 LEU 13 7.065 -5.024 -23.786 120 HD22 LEU 13 HD22 LEU 13 7.656 -6.650 -23.303 121 HD23 LEU 13 HD23 LEU 13 8.636 -5.640 -24.432 122 H GLN 14 HN GLN 14 11.272 -8.501 -20.095 123 HA GLN 14 HA GLN 14 14.075 -7.927 -20.853 124 HB2 GLN 14 HB2 GLN 14 12.782 -9.072 -18.361 125 HB3 GLN 14 HB1 GLN 14 14.539 -9.376 -18.691 126 HG2 GLN 14 HG2 GLN 14 14.551 -6.709 -19.127 127 HG3 GLN 14 HG1 GLN 14 13.056 -6.779 -18.146 128 HE21 GLN 14 HE21 GLN 14 13.266 -7.881 -15.886 129 HE22 GLN 14 HE22 GLN 14 14.777 -7.744 -15.052 130 H ARG 15 HN ARG 15 11.513 -10.034 -21.480 131 HA ARG 15 HA ARG 15 13.210 -12.337 -22.024 132 HB2 ARG 15 HB2 ARG 15 10.345 -12.018 -22.976 133 HB3 ARG 15 HB1 ARG 15 11.216 -13.547 -22.582 134 HG2 ARG 15 HG2 ARG 15 11.191 -12.901 -20.149 135 HG3 ARG 15 HG1 ARG 15 10.347 -11.367 -20.595 136 HD2 ARG 15 HD2 ARG 15 8.655 -12.892 -19.783 137 HD3 ARG 15 HD1 ARG 15 8.450 -12.786 -21.581 138 HE ARG 15 HE ARG 15 10.184 -15.029 -20.952 139 HH11 ARG 15 HH11 ARG 15 6.724 -14.045 -20.657 140 HH12 ARG 15 HH12 ARG 15 6.120 -15.666 -20.753 141 HH21 ARG 15 HH21 ARG 15 9.314 -17.195 -21.085 142 HH22 ARG 15 HH22 ARG 15 7.606 -17.469 -20.999 143 H LYS 16 HN LYS 16 11.520 -9.793 -23.582 144 HA LYS 16 HA LYS 16 12.747 -10.444 -26.127 145 HB2 LYS 16 HB2 LYS 16 10.404 -8.696 -25.181 146 HB3 LYS 16 HB1 LYS 16 11.213 -8.307 -26.737 147 HG2 LYS 16 HG2 LYS 16 9.350 -9.668 -27.337 148 HG3 LYS 16 HG1 LYS 16 10.774 -10.746 -27.477 149 HD2 LYS 16 HD2 LYS 16 10.211 -11.858 -25.296 150 HD3 LYS 16 HD1 LYS 16 8.879 -10.682 -25.022 151 HE2 LYS 16 HE2 LYS 16 7.846 -12.750 -25.808 152 HE3 LYS 16 HE1 LYS 16 7.752 -11.588 -27.191 153 HZ1 LYS 16 HZ1 LYS 16 9.071 -14.109 -26.993 154 HZ2 LYS 16 HZ2 LYS 16 10.156 -12.898 -27.484 155 HZ3 LYS 16 HZ3 LYS 16 8.724 -13.161 -28.358 156 H LYS 17 HN LYS 17 13.737 -8.610 -27.167 157 HA LYS 17 HA LYS 17 14.739 -6.574 -27.370 158 HB2 LYS 17 HB2 LYS 17 15.151 -6.288 -24.299 159 HB3 LYS 17 HB1 LYS 17 15.600 -5.085 -25.543 160 HG2 LYS 17 HG2 LYS 17 12.684 -5.905 -24.872 161 HG3 LYS 17 HG1 LYS 17 13.533 -4.509 -24.144 162 HD2 LYS 17 HD2 LYS 17 13.804 -3.518 -26.485 163 HD3 LYS 17 HD1 LYS 17 12.853 -4.892 -27.149 164 HE2 LYS 17 HE2 LYS 17 10.869 -4.214 -25.743 165 HE3 LYS 17 HE1 LYS 17 11.824 -2.830 -25.067 166 HZ1 LYS 17 HZ1 LYS 17 11.141 -3.258 -27.934 167 HZ2 LYS 17 HZ2 LYS 17 12.023 -1.954 -27.297 168 HZ3 LYS 17 HZ3 LYS 17 10.393 -2.168 -26.869 Start of MODEL 15 1 H1 GLU 1 HT1 GLU 1 0.548 6.437 -16.944 2 H2 GLU 1 HT2 GLU 1 1.386 7.909 -16.823 3 H3 GLU 1 HT3 GLU 1 0.149 7.544 -15.720 4 HA GLU 1 HA GLU 1 2.659 6.030 -16.013 5 HB2 GLU 1 HB2 GLU 1 2.875 8.467 -15.123 6 HB3 GLU 1 HB1 GLU 1 1.872 7.962 -13.718 7 HG2 GLU 1 HG2 GLU 1 3.635 6.285 -13.038 8 HG3 GLU 1 HG1 GLU 1 4.626 6.717 -14.487 9 H MET 2 HN MET 2 2.296 3.915 -15.452 10 HA MET 2 HA MET 2 0.503 3.379 -13.168 11 HB2 MET 2 HB2 MET 2 0.729 1.755 -15.782 12 HB3 MET 2 HB1 MET 2 -0.141 1.193 -14.308 13 HG2 MET 2 HG2 MET 2 -1.725 3.134 -14.506 14 HG3 MET 2 HG1 MET 2 -0.862 3.696 -15.976 15 HE1 MET 2 HE1 MET 2 -3.071 3.827 -17.250 16 HE2 MET 2 HE2 MET 2 -3.957 3.264 -15.791 17 HE3 MET 2 HE3 MET 2 -4.281 2.504 -17.387 18 H ARG 3 HN ARG 3 1.160 1.611 -11.832 19 HA ARG 3 HA ARG 3 4.007 1.063 -11.991 20 HB2 ARG 3 HB2 ARG 3 1.954 0.242 -9.838 21 HB3 ARG 3 HB1 ARG 3 3.741 0.062 -9.697 22 HG2 ARG 3 HG2 ARG 3 2.190 2.719 -9.914 23 HG3 ARG 3 HG1 ARG 3 2.868 2.002 -8.412 24 HD2 ARG 3 HD2 ARG 3 5.218 2.114 -9.546 25 HD3 ARG 3 HD1 ARG 3 4.436 3.102 -10.858 26 HE ARG 3 HE ARG 3 3.718 4.264 -8.309 27 HH11 ARG 3 HH11 ARG 3 6.645 3.830 -10.381 28 HH12 ARG 3 HH12 ARG 3 7.432 5.256 -9.790 29 HH21 ARG 3 HH21 ARG 3 4.829 6.176 -7.548 30 HH22 ARG 3 HH22 ARG 3 6.391 6.598 -8.168 31 H LEU 4 HN LEU 4 1.187 -0.432 -13.059 32 HA LEU 4 HA LEU 4 2.269 -3.115 -12.789 33 HB2 LEU 4 HB2 LEU 4 -0.250 -2.001 -14.120 34 HB3 LEU 4 HB1 LEU 4 0.187 -3.752 -14.002 35 HG LEU 4 HG LEU 4 0.518 -2.912 -11.381 36 HD11 LEU 4 HD11 LEU 4 -1.772 -1.219 -12.512 37 HD12 LEU 4 HD12 LEU 4 -0.366 -0.721 -11.476 38 HD13 LEU 4 HD13 LEU 4 -1.707 -1.716 -10.774 39 HD21 LEU 4 HD21 LEU 4 -0.537 -5.026 -12.229 40 HD22 LEU 4 HD22 LEU 4 -2.055 -4.112 -12.594 41 HD23 LEU 4 HD23 LEU 4 -1.492 -4.273 -10.885 42 H SER 5 HN SER 5 1.957 -0.457 -15.089 43 HA SER 5 HA SER 5 2.816 -2.063 -17.262 44 HB2 SER 5 HB2 SER 5 2.788 1.005 -17.093 45 HB3 SER 5 HB1 SER 5 3.080 0.001 -18.575 46 HG SER 5 HG SER 5 0.805 -0.702 -17.270 47 H LYS 6 HN LYS 6 4.259 -0.595 -14.442 48 HA LYS 6 HA LYS 6 6.803 -0.315 -15.670 49 HB2 LYS 6 HB2 LYS 6 6.108 1.337 -13.970 50 HB3 LYS 6 HB1 LYS 6 5.828 0.021 -12.801 51 HG2 LYS 6 HG2 LYS 6 8.654 0.093 -13.829 52 HG3 LYS 6 HG1 LYS 6 8.148 1.609 -13.002 53 HD2 LYS 6 HD2 LYS 6 7.430 0.310 -10.999 54 HD3 LYS 6 HD1 LYS 6 7.850 -1.231 -11.824 55 HE2 LYS 6 HE2 LYS 6 10.285 -0.549 -11.882 56 HE3 LYS 6 HE1 LYS 6 9.869 1.026 -11.089 57 HZ1 LYS 6 HZ1 LYS 6 10.164 -1.612 -9.964 58 HZ2 LYS 6 HZ2 LYS 6 8.767 -0.803 -9.436 59 HZ3 LYS 6 HZ3 LYS 6 10.292 -0.080 -9.243 60 H PHE 7 HN PHE 7 4.928 -2.573 -13.659 61 HA PHE 7 HA PHE 7 6.967 -4.288 -12.805 62 HB2 PHE 7 HB2 PHE 7 4.048 -4.264 -12.688 63 HB3 PHE 7 HB1 PHE 7 4.567 -5.896 -13.196 64 HD1 PHE 7 HD1 PHE 7 4.105 -3.675 -10.362 65 HD2 PHE 7 HD2 PHE 7 6.214 -7.051 -11.890 66 HE1 PHE 7 HE1 PHE 7 4.595 -4.443 -8.081 67 HE2 PHE 7 HE2 PHE 7 6.690 -7.794 -9.689 68 HZ PHE 7 HZ PHE 7 5.891 -6.509 -7.714 69 H PHE 8 HN PHE 8 4.572 -4.671 -15.378 70 HA PHE 8 HA PHE 8 5.698 -7.110 -16.177 71 HB2 PHE 8 HB2 PHE 8 4.531 -5.488 -18.296 72 HB3 PHE 8 HB1 PHE 8 4.210 -7.178 -17.828 73 HD1 PHE 8 HD1 PHE 8 3.159 -4.324 -18.637 74 HD2 PHE 8 HD2 PHE 8 2.624 -7.148 -15.513 75 HE1 PHE 8 HE1 PHE 8 1.084 -3.502 -18.330 76 HE2 PHE 8 HE2 PHE 8 0.410 -6.280 -15.174 77 HZ PHE 8 HZ PHE 8 -0.405 -4.457 -16.595 78 H ARG 9 HN ARG 9 6.372 -3.759 -16.842 79 HA ARG 9 HA ARG 9 7.223 -3.938 -19.407 80 HB2 ARG 9 HB2 ARG 9 6.874 -2.070 -17.579 81 HB3 ARG 9 HB1 ARG 9 8.592 -2.280 -17.220 82 HG2 ARG 9 HG2 ARG 9 9.138 -1.565 -19.566 83 HG3 ARG 9 HG1 ARG 9 7.373 -1.352 -19.880 84 HD2 ARG 9 HD2 ARG 9 7.255 0.402 -17.989 85 HD3 ARG 9 HD1 ARG 9 9.054 0.217 -17.760 86 HE ARG 9 HE ARG 9 8.558 0.779 -20.555 87 HH11 ARG 9 HH11 ARG 9 8.364 2.428 -17.347 88 HH12 ARG 9 HH12 ARG 9 8.626 4.010 -18.001 89 HH21 ARG 9 HH21 ARG 9 8.910 2.937 -21.380 90 HH22 ARG 9 HH22 ARG 9 8.938 4.300 -20.311 91 H ASP 10 HN ASP 10 8.934 -4.519 -16.354 92 HA ASP 10 HA ASP 10 11.316 -5.252 -17.686 93 HB2 ASP 10 HB2 ASP 10 10.607 -5.304 -14.674 94 HB3 ASP 10 HB1 ASP 10 12.242 -5.687 -15.335 95 H ALA 11 HN ALA 11 8.349 -6.853 -17.092 96 HA ALA 11 HA ALA 11 9.677 -9.402 -16.474 97 HB1 ALA 11 HB1 ALA 11 7.538 -10.263 -15.869 98 HB2 ALA 11 HB2 ALA 11 6.679 -8.986 -16.823 99 HB3 ALA 11 HB3 ALA 11 7.508 -8.555 -15.276 100 H ILE 12 HN ILE 12 7.562 -7.927 -18.923 101 HA ILE 12 HA ILE 12 7.604 -10.337 -20.527 102 HB ILE 12 HB ILE 12 6.360 -7.583 -21.006 103 HG12 ILE 12 HG12 ILE 12 5.135 -10.056 -19.641 104 HG13 ILE 12 HG11 ILE 12 5.572 -8.461 -18.913 105 HG21 ILE 12 HG21 ILE 12 6.495 -8.893 -23.151 106 HG22 ILE 12 HG22 ILE 12 4.787 -8.922 -22.616 107 HG23 ILE 12 HG23 ILE 12 5.829 -10.369 -22.357 108 HD11 ILE 12 HD11 ILE 12 3.335 -8.913 -21.027 109 HD12 ILE 12 HD12 ILE 12 3.845 -7.315 -20.345 110 HD13 ILE 12 HD13 ILE 12 3.114 -8.565 -19.270 111 H LEU 13 HN LEU 13 8.827 -6.990 -20.474 112 HA LEU 13 HA LEU 13 9.595 -7.187 -23.237 113 HB2 LEU 13 HB2 LEU 13 9.992 -4.891 -21.247 114 HB3 LEU 13 HB1 LEU 13 10.092 -4.765 -23.058 115 HG LEU 13 HG LEU 13 7.635 -5.227 -21.255 116 HD11 LEU 13 HD11 LEU 13 6.857 -3.063 -21.843 117 HD12 LEU 13 HD12 LEU 13 7.995 -2.901 -23.242 118 HD13 LEU 13 HD13 LEU 13 8.629 -2.867 -21.552 119 HD21 LEU 13 HD21 LEU 13 7.715 -5.452 -24.351 120 HD22 LEU 13 HD22 LEU 13 6.210 -4.961 -23.479 121 HD23 LEU 13 HD23 LEU 13 6.954 -6.563 -23.150 122 H GLN 14 HN GLN 14 11.051 -8.171 -20.348 123 HA GLN 14 HA GLN 14 13.703 -7.330 -21.386 124 HB2 GLN 14 HB2 GLN 14 12.794 -8.582 -18.776 125 HB3 GLN 14 HB1 GLN 14 14.529 -8.698 -19.280 126 HG2 GLN 14 HG2 GLN 14 14.220 -6.046 -19.681 127 HG3 GLN 14 HG1 GLN 14 12.848 -6.281 -18.559 128 HE21 GLN 14 HE21 GLN 14 13.438 -7.498 -16.374 129 HE22 GLN 14 HE22 GLN 14 14.989 -7.155 -15.681 130 H ARG 15 HN ARG 15 11.325 -9.729 -21.665 131 HA ARG 15 HA ARG 15 13.109 -11.941 -22.108 132 HB2 ARG 15 HB2 ARG 15 10.244 -11.508 -23.139 133 HB3 ARG 15 HB1 ARG 15 11.109 -13.088 -23.043 134 HG2 ARG 15 HG2 ARG 15 11.207 -12.872 -20.541 135 HG3 ARG 15 HG1 ARG 15 10.366 -11.272 -20.677 136 HD2 ARG 15 HD2 ARG 15 8.320 -12.253 -21.428 137 HD3 ARG 15 HD1 ARG 15 9.077 -13.882 -21.731 138 HE ARG 15 HE ARG 15 9.456 -13.234 -18.954 139 HH11 ARG 15 HH11 ARG 15 6.713 -13.950 -21.195 140 HH12 ARG 15 HH12 ARG 15 5.704 -14.612 -19.953 141 HH21 ARG 15 HH21 ARG 15 8.043 -14.141 -17.320 142 HH22 ARG 15 HH22 ARG 15 6.465 -14.719 -17.738 143 H LYS 16 HN LYS 16 11.435 -9.474 -24.105 144 HA LYS 16 HA LYS 16 13.071 -10.269 -26.423 145 HB2 LYS 16 HB2 LYS 16 10.493 -8.638 -25.992 146 HB3 LYS 16 HB1 LYS 16 11.455 -8.415 -27.491 147 HG2 LYS 16 HG2 LYS 16 9.601 -9.937 -27.896 148 HG3 LYS 16 HG1 LYS 16 11.150 -10.819 -28.076 149 HD2 LYS 16 HD2 LYS 16 10.801 -12.060 -25.986 150 HD3 LYS 16 HD1 LYS 16 9.501 -10.942 -25.459 151 HE2 LYS 16 HE2 LYS 16 8.436 -13.035 -26.180 152 HE3 LYS 16 HE1 LYS 16 8.057 -11.793 -27.439 153 HZ1 LYS 16 HZ1 LYS 16 9.450 -12.787 -28.928 154 HZ2 LYS 16 HZ2 LYS 16 8.880 -14.145 -28.082 155 HZ3 LYS 16 HZ3 LYS 16 10.427 -13.527 -27.753 156 H LYS 17 HN LYS 17 15.124 -9.281 -26.085 157 HA LYS 17 HA LYS 17 15.193 -6.402 -26.119 158 HB2 LYS 17 HB2 LYS 17 15.573 -7.842 -23.506 159 HB3 LYS 17 HB1 LYS 17 17.038 -6.915 -23.954 160 HG2 LYS 17 HG2 LYS 17 14.250 -5.574 -23.951 161 HG3 LYS 17 HG1 LYS 17 15.169 -5.782 -22.424 162 HD2 LYS 17 HD2 LYS 17 17.113 -4.505 -23.462 163 HD3 LYS 17 HD1 LYS 17 16.140 -4.262 -24.955 164 HE2 LYS 17 HE2 LYS 17 14.421 -2.964 -23.622 165 HE3 LYS 17 HE1 LYS 17 15.417 -3.202 -22.126 166 HZ1 LYS 17 HZ1 LYS 17 15.704 -1.314 -24.233 167 HZ2 LYS 17 HZ2 LYS 17 17.139 -2.198 -24.027 168 HZ3 LYS 17 HZ3 LYS 17 16.452 -1.373 -22.711 Start of MODEL 16 1 H1 GLU 1 HT1 GLU 1 1.376 7.490 -17.231 2 H2 GLU 1 HT2 GLU 1 0.632 8.038 -15.806 3 H3 GLU 1 HT3 GLU 1 0.148 6.568 -16.506 4 HA GLU 1 HA GLU 1 2.642 5.973 -16.206 5 HB2 GLU 1 HB2 GLU 1 2.070 8.155 -14.088 6 HB3 GLU 1 HB1 GLU 1 3.333 6.894 -13.822 7 HG2 GLU 1 HG2 GLU 1 4.554 7.648 -15.904 8 HG3 GLU 1 HG1 GLU 1 3.296 8.915 -16.185 9 H MET 2 HN MET 2 2.337 3.879 -15.558 10 HA MET 2 HA MET 2 0.550 3.391 -13.256 11 HB2 MET 2 HB2 MET 2 0.776 1.721 -15.840 12 HB3 MET 2 HB1 MET 2 -0.101 1.188 -14.360 13 HG2 MET 2 HG2 MET 2 -1.680 3.127 -14.598 14 HG3 MET 2 HG1 MET 2 -0.809 3.662 -16.074 15 HE1 MET 2 HE1 MET 2 -4.229 2.440 -17.470 16 HE2 MET 2 HE2 MET 2 -3.020 3.766 -17.366 17 HE3 MET 2 HE3 MET 2 -3.902 3.236 -15.891 18 H ARG 3 HN ARG 3 1.192 1.627 -11.898 19 HA ARG 3 HA ARG 3 4.037 1.068 -12.033 20 HB2 ARG 3 HB2 ARG 3 1.956 0.281 -9.895 21 HB3 ARG 3 HB1 ARG 3 3.737 0.065 -9.736 22 HG2 ARG 3 HG2 ARG 3 2.253 2.758 -9.990 23 HG3 ARG 3 HG1 ARG 3 2.875 2.029 -8.470 24 HD2 ARG 3 HD2 ARG 3 5.253 2.075 -9.537 25 HD3 ARG 3 HD1 ARG 3 4.535 3.065 -10.883 26 HE ARG 3 HE ARG 3 3.776 4.273 -8.365 27 HH11 ARG 3 HH11 ARG 3 6.744 3.751 -10.357 28 HH12 ARG 3 HH12 ARG 3 7.544 5.170 -9.767 29 HH21 ARG 3 HH21 ARG 3 4.906 6.171 -7.603 30 HH22 ARG 3 HH22 ARG 3 6.490 6.554 -8.190 31 H LEU 4 HN LEU 4 1.223 -0.424 -13.116 32 HA LEU 4 HA LEU 4 2.297 -3.105 -12.819 33 HB2 LEU 4 HB2 LEU 4 -0.219 -2.006 -14.168 34 HB3 LEU 4 HB1 LEU 4 0.220 -3.754 -14.027 35 HG LEU 4 HG LEU 4 0.542 -2.902 -11.416 36 HD11 LEU 4 HD11 LEU 4 -1.715 -1.175 -12.561 37 HD12 LEU 4 HD12 LEU 4 -0.311 -0.700 -11.514 38 HD13 LEU 4 HD13 LEU 4 -1.673 -1.671 -10.823 39 HD21 LEU 4 HD21 LEU 4 -0.546 -5.003 -12.255 40 HD22 LEU 4 HD22 LEU 4 -2.047 -4.066 -12.629 41 HD23 LEU 4 HD23 LEU 4 -1.490 -4.227 -10.918 42 H SER 5 HN SER 5 2.021 -0.458 -15.129 43 HA SER 5 HA SER 5 2.881 -2.078 -17.294 44 HB2 SER 5 HB2 SER 5 2.866 0.990 -17.124 45 HB3 SER 5 HB1 SER 5 3.171 -0.012 -18.604 46 HG SER 5 HG SER 5 0.906 -0.799 -17.433 47 H LYS 6 HN LYS 6 4.305 -0.613 -14.467 48 HA LYS 6 HA LYS 6 6.861 -0.355 -15.669 49 HB2 LYS 6 HB2 LYS 6 6.146 1.308 -13.983 50 HB3 LYS 6 HB1 LYS 6 5.871 -0.003 -12.807 51 HG2 LYS 6 HG2 LYS 6 8.692 0.063 -13.838 52 HG3 LYS 6 HG1 LYS 6 8.189 1.588 -13.028 53 HD2 LYS 6 HD2 LYS 6 7.476 0.318 -11.009 54 HD3 LYS 6 HD1 LYS 6 7.878 -1.237 -11.819 55 HE2 LYS 6 HE2 LYS 6 10.318 -0.584 -11.892 56 HE3 LYS 6 HE1 LYS 6 9.924 1.011 -11.128 57 HZ1 LYS 6 HZ1 LYS 6 10.378 -0.089 -9.277 58 HZ2 LYS 6 HZ2 LYS 6 10.149 -1.627 -9.960 59 HZ3 LYS 6 HZ3 LYS 6 8.812 -0.730 -9.418 60 H PHE 7 HN PHE 7 4.950 -2.588 -13.670 61 HA PHE 7 HA PHE 7 6.967 -4.319 -12.797 62 HB2 PHE 7 HB2 PHE 7 4.049 -4.266 -12.699 63 HB3 PHE 7 HB1 PHE 7 4.555 -5.904 -13.195 64 HD1 PHE 7 HD1 PHE 7 4.109 -3.657 -10.377 65 HD2 PHE 7 HD2 PHE 7 6.170 -7.073 -11.876 66 HE1 PHE 7 HE1 PHE 7 4.581 -4.415 -8.090 67 HE2 PHE 7 HE2 PHE 7 6.628 -7.809 -9.668 68 HZ PHE 7 HZ PHE 7 5.844 -6.498 -7.704 69 H PHE 8 HN PHE 8 4.579 -4.692 -15.379 70 HA PHE 8 HA PHE 8 5.681 -7.146 -16.163 71 HB2 PHE 8 HB2 PHE 8 4.551 -5.510 -18.295 72 HB3 PHE 8 HB1 PHE 8 4.212 -7.200 -17.836 73 HD1 PHE 8 HD1 PHE 8 3.186 -4.333 -18.643 74 HD2 PHE 8 HD2 PHE 8 2.610 -7.164 -15.532 75 HE1 PHE 8 HE1 PHE 8 1.115 -3.494 -18.341 76 HE2 PHE 8 HE2 PHE 8 0.402 -6.278 -15.201 77 HZ PHE 8 HZ PHE 8 -0.390 -4.445 -16.619 78 H ARG 9 HN ARG 9 6.408 -3.810 -16.823 79 HA ARG 9 HA ARG 9 7.276 -4.000 -19.377 80 HB2 ARG 9 HB2 ARG 9 6.923 -2.126 -17.581 81 HB3 ARG 9 HB1 ARG 9 8.616 -2.376 -17.148 82 HG2 ARG 9 HG2 ARG 9 9.278 -1.667 -19.468 83 HG3 ARG 9 HG1 ARG 9 7.532 -1.401 -19.844 84 HD2 ARG 9 HD2 ARG 9 7.381 0.342 -17.964 85 HD3 ARG 9 HD1 ARG 9 9.151 0.085 -17.617 86 HE ARG 9 HE ARG 9 8.866 0.706 -20.430 87 HH11 ARG 9 HH11 ARG 9 8.503 2.305 -17.211 88 HH12 ARG 9 HH12 ARG 9 8.888 3.885 -17.808 89 HH21 ARG 9 HH21 ARG 9 9.386 2.862 -21.177 90 HH22 ARG 9 HH22 ARG 9 9.394 4.201 -20.079 91 H ASP 10 HN ASP 10 8.961 -4.571 -16.312 92 HA ASP 10 HA ASP 10 11.333 -5.385 -17.630 93 HB2 ASP 10 HB2 ASP 10 10.626 -5.354 -14.609 94 HB3 ASP 10 HB1 ASP 10 12.253 -5.774 -15.267 95 H ALA 11 HN ALA 11 8.338 -6.917 -17.077 96 HA ALA 11 HA ALA 11 9.608 -9.490 -16.420 97 HB1 ALA 11 HB1 ALA 11 7.424 -8.572 -15.261 98 HB2 ALA 11 HB2 ALA 11 7.470 -10.302 -15.785 99 HB3 ALA 11 HB3 ALA 11 6.617 -9.068 -16.799 100 H ILE 12 HN ILE 12 7.570 -7.972 -18.906 101 HA ILE 12 HA ILE 12 7.615 -10.377 -20.537 102 HB ILE 12 HB ILE 12 6.363 -7.620 -20.992 103 HG12 ILE 12 HG12 ILE 12 5.134 -10.102 -19.643 104 HG13 ILE 12 HG11 ILE 12 5.570 -8.511 -18.904 105 HG21 ILE 12 HG21 ILE 12 5.829 -10.399 -22.357 106 HG22 ILE 12 HG22 ILE 12 6.513 -8.927 -23.142 107 HG23 ILE 12 HG23 ILE 12 4.802 -8.941 -22.618 108 HD11 ILE 12 HD11 ILE 12 3.853 -7.354 -20.343 109 HD12 ILE 12 HD12 ILE 12 3.116 -8.604 -19.269 110 HD13 ILE 12 HD13 ILE 12 3.338 -8.952 -21.023 111 H LEU 13 HN LEU 13 8.795 -7.007 -20.460 112 HA LEU 13 HA LEU 13 9.628 -7.166 -23.212 113 HB2 LEU 13 HB2 LEU 13 9.986 -4.887 -21.197 114 HB3 LEU 13 HB1 LEU 13 10.098 -4.751 -23.007 115 HG LEU 13 HG LEU 13 7.641 -5.245 -21.226 116 HD11 LEU 13 HD11 LEU 13 7.955 -2.911 -23.207 117 HD12 LEU 13 HD12 LEU 13 8.631 -2.872 -21.535 118 HD13 LEU 13 HD13 LEU 13 6.853 -3.084 -21.780 119 HD21 LEU 13 HD21 LEU 13 7.747 -5.484 -24.317 120 HD22 LEU 13 HD22 LEU 13 6.231 -4.979 -23.473 121 HD23 LEU 13 HD23 LEU 13 6.965 -6.579 -23.115 122 H GLN 14 HN GLN 14 10.978 -8.163 -20.308 123 HA GLN 14 HA GLN 14 13.685 -7.297 -21.116 124 HB2 GLN 14 HB2 GLN 14 12.423 -8.596 -18.712 125 HB3 GLN 14 HB1 GLN 14 14.147 -8.998 -19.034 126 HG2 GLN 14 HG2 GLN 14 13.192 -6.083 -19.095 127 HG3 GLN 14 HG1 GLN 14 13.464 -6.903 -17.507 128 HE21 GLN 14 HE21 GLN 14 15.692 -8.037 -17.219 129 HE22 GLN 14 HE22 GLN 14 17.083 -7.264 -17.906 130 H ARG 15 HN ARG 15 11.328 -9.708 -21.658 131 HA ARG 15 HA ARG 15 13.188 -11.855 -22.140 132 HB2 ARG 15 HB2 ARG 15 10.321 -11.570 -23.184 133 HB3 ARG 15 HB1 ARG 15 11.250 -13.099 -22.944 134 HG2 ARG 15 HG2 ARG 15 11.306 -12.602 -20.445 135 HG3 ARG 15 HG1 ARG 15 10.313 -11.129 -20.776 136 HD2 ARG 15 HD2 ARG 15 8.800 -12.857 -19.994 137 HD3 ARG 15 HD1 ARG 15 8.502 -12.649 -21.770 138 HE ARG 15 HE ARG 15 10.456 -14.770 -21.348 139 HH11 ARG 15 HH11 ARG 15 6.926 -14.120 -20.942 140 HH12 ARG 15 HH12 ARG 15 6.466 -15.778 -21.143 141 HH21 ARG 15 HH21 ARG 15 9.771 -16.996 -21.618 142 HH22 ARG 15 HH22 ARG 15 8.094 -17.421 -21.530 143 H LYS 16 HN LYS 16 11.377 -9.416 -24.055 144 HA LYS 16 HA LYS 16 12.988 -10.116 -26.420 145 HB2 LYS 16 HB2 LYS 16 10.361 -8.583 -25.918 146 HB3 LYS 16 HB1 LYS 16 11.280 -8.326 -27.440 147 HG2 LYS 16 HG2 LYS 16 9.502 -9.918 -27.843 148 HG3 LYS 16 HG1 LYS 16 11.072 -10.767 -27.986 149 HD2 LYS 16 HD2 LYS 16 10.731 -11.973 -25.880 150 HD3 LYS 16 HD1 LYS 16 9.411 -10.869 -25.380 151 HE2 LYS 16 HE2 LYS 16 8.363 -12.973 -26.051 152 HE3 LYS 16 HE1 LYS 16 8.002 -11.789 -27.369 153 HZ1 LYS 16 HZ1 LYS 16 9.992 -13.997 -27.352 154 HZ2 LYS 16 HZ2 LYS 16 10.021 -12.750 -28.504 155 HZ3 LYS 16 HZ3 LYS 16 8.664 -13.763 -28.384 156 H LYS 17 HN LYS 17 15.001 -9.065 -26.130 157 HA LYS 17 HA LYS 17 14.978 -6.188 -26.134 158 HB2 LYS 17 HB2 LYS 17 15.375 -7.604 -23.533 159 HB3 LYS 17 HB1 LYS 17 16.873 -6.735 -23.986 160 HG2 LYS 17 HG2 LYS 17 14.177 -5.239 -24.078 161 HG3 LYS 17 HG1 LYS 17 14.944 -5.561 -22.486 162 HD2 LYS 17 HD2 LYS 17 17.037 -4.389 -23.245 163 HD3 LYS 17 HD1 LYS 17 16.312 -4.088 -24.857 164 HE2 LYS 17 HE2 LYS 17 14.938 -3.036 -22.289 165 HE3 LYS 17 HE1 LYS 17 16.299 -2.134 -23.068 166 HZ1 LYS 17 HZ1 LYS 17 14.879 -2.414 -25.180 167 HZ2 LYS 17 HZ2 LYS 17 14.444 -1.248 -24.024 168 HZ3 LYS 17 HZ3 LYS 17 13.598 -2.718 -24.107 Start of MODEL 17 1 H1 GLU 1 HT1 GLU 1 3.201 6.499 -13.710 2 H2 GLU 1 HT2 GLU 1 3.364 7.857 -14.716 3 H3 GLU 1 HT3 GLU 1 3.786 6.319 -15.295 4 HA GLU 1 HA GLU 1 1.183 7.548 -14.936 5 HB2 GLU 1 HB2 GLU 1 2.526 5.689 -17.001 6 HB3 GLU 1 HB1 GLU 1 0.738 5.927 -17.015 7 HG2 GLU 1 HG2 GLU 1 1.057 8.422 -17.311 8 HG3 GLU 1 HG1 GLU 1 2.850 8.189 -17.319 9 H MET 2 HN MET 2 2.313 4.073 -15.378 10 HA MET 2 HA MET 2 0.371 3.299 -13.289 11 HB2 MET 2 HB2 MET 2 0.896 1.851 -15.963 12 HB3 MET 2 HB1 MET 2 -0.057 1.160 -14.597 13 HG2 MET 2 HG2 MET 2 -1.729 3.022 -14.820 14 HG3 MET 2 HG1 MET 2 -0.787 3.713 -16.181 15 HE1 MET 2 HE1 MET 2 -2.921 3.791 -17.609 16 HE2 MET 2 HE2 MET 2 -3.857 3.091 -16.244 17 HE3 MET 2 HE3 MET 2 -4.031 2.406 -17.897 18 H ARG 3 HN ARG 3 1.028 1.579 -11.955 19 HA ARG 3 HA ARG 3 3.886 1.059 -11.978 20 HB2 ARG 3 HB2 ARG 3 1.735 0.200 -9.940 21 HB3 ARG 3 HB1 ARG 3 3.513 0.029 -9.711 22 HG2 ARG 3 HG2 ARG 3 1.967 2.685 -9.989 23 HG3 ARG 3 HG1 ARG 3 2.545 1.952 -8.453 24 HD2 ARG 3 HD2 ARG 3 4.964 2.078 -9.419 25 HD3 ARG 3 HD1 ARG 3 4.274 3.065 -10.782 26 HE ARG 3 HE ARG 3 3.369 4.235 -8.304 27 HH11 ARG 3 HH11 ARG 3 6.470 3.764 -10.098 28 HH12 ARG 3 HH12 ARG 3 7.207 5.192 -9.452 29 HH21 ARG 3 HH21 ARG 3 4.419 6.148 -7.466 30 HH22 ARG 3 HH22 ARG 3 6.033 6.555 -7.946 31 H LEU 4 HN LEU 4 1.132 -0.417 -13.206 32 HA LEU 4 HA LEU 4 2.176 -3.109 -12.919 33 HB2 LEU 4 HB2 LEU 4 -0.248 -1.936 -14.371 34 HB3 LEU 4 HB1 LEU 4 0.166 -3.694 -14.281 35 HG LEU 4 HG LEU 4 0.358 -2.926 -11.622 36 HD11 LEU 4 HD11 LEU 4 -0.512 -0.723 -11.733 37 HD12 LEU 4 HD12 LEU 4 -1.876 -1.731 -11.095 38 HD13 LEU 4 HD13 LEU 4 -1.878 -1.209 -12.824 39 HD21 LEU 4 HD21 LEU 4 -2.146 -4.085 -13.005 40 HD22 LEU 4 HD22 LEU 4 -1.676 -4.293 -11.273 41 HD23 LEU 4 HD23 LEU 4 -0.652 -5.014 -12.584 42 H SER 5 HN SER 5 2.026 -0.413 -15.209 43 HA SER 5 HA SER 5 2.957 -1.952 -17.360 44 HB2 SER 5 HB2 SER 5 3.206 1.079 -16.971 45 HB3 SER 5 HB1 SER 5 3.619 0.152 -18.477 46 HG SER 5 HG SER 5 1.116 -0.342 -17.453 47 H LYS 6 HN LYS 6 4.362 -0.225 -14.551 48 HA LYS 6 HA LYS 6 6.958 -0.262 -15.466 49 HB2 LYS 6 HB2 LYS 6 6.149 1.280 -13.717 50 HB3 LYS 6 HB1 LYS 6 5.791 -0.108 -12.659 51 HG2 LYS 6 HG2 LYS 6 8.675 -0.006 -13.508 52 HG3 LYS 6 HG1 LYS 6 8.135 1.469 -12.632 53 HD2 LYS 6 HD2 LYS 6 7.263 0.062 -10.760 54 HD3 LYS 6 HD1 LYS 6 7.752 -1.428 -11.638 55 HE2 LYS 6 HE2 LYS 6 10.180 -0.744 -11.477 56 HE3 LYS 6 HE1 LYS 6 9.701 0.786 -10.633 57 HZ1 LYS 6 HZ1 LYS 6 9.600 -2.004 -9.677 58 HZ2 LYS 6 HZ2 LYS 6 8.562 -0.837 -9.009 59 HZ3 LYS 6 HZ3 LYS 6 10.245 -0.616 -8.940 60 H PHE 7 HN PHE 7 4.934 -2.581 -13.667 61 HA PHE 7 HA PHE 7 6.903 -4.361 -12.816 62 HB2 PHE 7 HB2 PHE 7 3.978 -4.293 -12.825 63 HB3 PHE 7 HB1 PHE 7 4.513 -5.917 -13.338 64 HD1 PHE 7 HD1 PHE 7 3.929 -3.745 -10.492 65 HD2 PHE 7 HD2 PHE 7 6.086 -7.110 -11.973 66 HE1 PHE 7 HE1 PHE 7 4.305 -4.550 -8.208 67 HE2 PHE 7 HE2 PHE 7 6.451 -7.891 -9.764 68 HZ PHE 7 HZ PHE 7 5.568 -6.632 -7.809 69 H PHE 8 HN PHE 8 4.648 -4.530 -15.554 70 HA PHE 8 HA PHE 8 5.772 -7.019 -16.266 71 HB2 PHE 8 HB2 PHE 8 4.628 -5.598 -18.484 72 HB3 PHE 8 HB1 PHE 8 4.245 -7.201 -17.814 73 HD1 PHE 8 HD1 PHE 8 3.452 -4.216 -18.774 74 HD2 PHE 8 HD2 PHE 8 2.524 -7.051 -15.764 75 HE1 PHE 8 HE1 PHE 8 1.427 -3.264 -18.604 76 HE2 PHE 8 HE2 PHE 8 0.344 -6.046 -15.561 77 HZ PHE 8 HZ PHE 8 -0.248 -4.150 -17.000 78 H ARG 9 HN ARG 9 6.549 -3.682 -16.955 79 HA ARG 9 HA ARG 9 7.439 -3.987 -19.543 80 HB2 ARG 9 HB2 ARG 9 7.672 -2.127 -17.293 81 HB3 ARG 9 HB1 ARG 9 9.210 -2.137 -18.201 82 HG2 ARG 9 HG2 ARG 9 8.111 -1.303 -20.228 83 HG3 ARG 9 HG1 ARG 9 6.481 -1.587 -19.533 84 HD2 ARG 9 HD2 ARG 9 6.807 0.806 -19.323 85 HD3 ARG 9 HD1 ARG 9 7.180 0.183 -17.653 86 HE ARG 9 HE ARG 9 9.635 0.209 -19.197 87 HH11 ARG 9 HH11 ARG 9 7.283 2.551 -17.771 88 HH12 ARG 9 HH12 ARG 9 8.462 3.802 -17.561 89 HH21 ARG 9 HH21 ARG 9 11.181 1.935 -18.889 90 HH22 ARG 9 HH22 ARG 9 10.695 3.448 -18.203 91 H ASP 10 HN ASP 10 9.017 -4.407 -16.414 92 HA ASP 10 HA ASP 10 11.432 -5.309 -17.602 93 HB2 ASP 10 HB2 ASP 10 10.553 -5.166 -14.634 94 HB3 ASP 10 HB1 ASP 10 12.194 -5.691 -15.163 95 H ALA 11 HN ALA 11 8.391 -6.815 -17.149 96 HA ALA 11 HA ALA 11 9.640 -9.388 -16.437 97 HB1 ALA 11 HB1 ALA 11 7.477 -10.218 -15.897 98 HB2 ALA 11 HB2 ALA 11 6.662 -8.946 -16.894 99 HB3 ALA 11 HB3 ALA 11 7.435 -8.504 -15.324 100 H ILE 12 HN ILE 12 7.633 -7.904 -18.977 101 HA ILE 12 HA ILE 12 7.674 -10.340 -20.544 102 HB ILE 12 HB ILE 12 6.536 -7.556 -21.110 103 HG12 ILE 12 HG12 ILE 12 5.157 -9.984 -19.806 104 HG13 ILE 12 HG11 ILE 12 5.636 -8.420 -19.038 105 HG21 ILE 12 HG21 ILE 12 6.719 -8.867 -23.239 106 HG22 ILE 12 HG22 ILE 12 4.990 -8.879 -22.771 107 HG23 ILE 12 HG23 ILE 12 6.007 -10.335 -22.470 108 HD11 ILE 12 HD11 ILE 12 3.469 -8.755 -21.240 109 HD12 ILE 12 HD12 ILE 12 4.036 -7.180 -20.550 110 HD13 ILE 12 HD13 ILE 12 3.205 -8.382 -19.494 111 H LEU 13 HN LEU 13 8.976 -7.029 -20.504 112 HA LEU 13 HA LEU 13 9.921 -7.297 -23.206 113 HB2 LEU 13 HB2 LEU 13 10.321 -4.984 -21.232 114 HB3 LEU 13 HB1 LEU 13 10.502 -4.903 -23.040 115 HG LEU 13 HG LEU 13 7.958 -5.238 -21.343 116 HD11 LEU 13 HD11 LEU 13 8.626 -2.942 -23.296 117 HD12 LEU 13 HD12 LEU 13 8.961 -2.931 -21.519 118 HD13 LEU 13 HD13 LEU 13 7.257 -3.051 -22.113 119 HD21 LEU 13 HD21 LEU 13 6.664 -4.919 -23.666 120 HD22 LEU 13 HD22 LEU 13 7.267 -6.555 -23.230 121 HD23 LEU 13 HD23 LEU 13 8.180 -5.551 -24.420 122 H GLN 14 HN GLN 14 11.079 -8.326 -20.235 123 HA GLN 14 HA GLN 14 13.847 -7.622 -20.966 124 HB2 GLN 14 HB2 GLN 14 12.481 -8.790 -18.558 125 HB3 GLN 14 HB1 GLN 14 14.176 -9.331 -18.863 126 HG2 GLN 14 HG2 GLN 14 14.606 -6.686 -19.204 127 HG3 GLN 14 HG1 GLN 14 13.058 -6.553 -18.302 128 HE21 GLN 14 HE21 GLN 14 16.310 -8.270 -18.096 129 HE22 GLN 14 HE22 GLN 14 16.450 -8.174 -16.373 130 H ARG 15 HN ARG 15 11.401 -9.849 -21.654 131 HA ARG 15 HA ARG 15 13.221 -12.054 -22.207 132 HB2 ARG 15 HB2 ARG 15 10.299 -11.725 -23.083 133 HB3 ARG 15 HB1 ARG 15 11.228 -13.265 -22.917 134 HG2 ARG 15 HG2 ARG 15 11.348 -12.951 -20.449 135 HG3 ARG 15 HG1 ARG 15 10.525 -11.346 -20.616 136 HD2 ARG 15 HD2 ARG 15 8.438 -12.319 -21.260 137 HD3 ARG 15 HD1 ARG 15 9.162 -13.966 -21.551 138 HE ARG 15 HE ARG 15 9.669 -13.305 -18.814 139 HH11 ARG 15 HH11 ARG 15 6.768 -13.854 -20.901 140 HH12 ARG 15 HH12 ARG 15 5.790 -14.451 -19.601 141 HH21 ARG 15 HH21 ARG 15 8.296 -14.118 -17.103 142 HH22 ARG 15 HH22 ARG 15 6.665 -14.601 -17.430 143 H LYS 16 HN LYS 16 11.311 -9.544 -23.952 144 HA LYS 16 HA LYS 16 12.840 -10.189 -26.386 145 HB2 LYS 16 HB2 LYS 16 10.139 -8.912 -25.764 146 HB3 LYS 16 HB1 LYS 16 11.006 -8.335 -27.225 147 HG2 LYS 16 HG2 LYS 16 9.430 -10.040 -27.874 148 HG3 LYS 16 HG1 LYS 16 11.087 -10.674 -28.114 149 HD2 LYS 16 HD2 LYS 16 10.856 -12.065 -25.989 150 HD3 LYS 16 HD1 LYS 16 9.209 -11.379 -25.744 151 HE2 LYS 16 HE2 LYS 16 8.425 -12.437 -27.900 152 HE3 LYS 16 HE1 LYS 16 10.088 -13.097 -28.183 153 HZ1 LYS 16 HZ1 LYS 16 8.263 -14.525 -27.088 154 HZ2 LYS 16 HZ2 LYS 16 8.673 -13.693 -25.665 155 HZ3 LYS 16 HZ3 LYS 16 9.854 -14.587 -26.497 156 H LYS 17 HN LYS 17 14.823 -9.109 -26.216 157 HA LYS 17 HA LYS 17 14.754 -6.240 -26.301 158 HB2 LYS 17 HB2 LYS 17 15.333 -7.544 -23.675 159 HB3 LYS 17 HB1 LYS 17 16.785 -6.669 -24.255 160 HG2 LYS 17 HG2 LYS 17 14.019 -5.285 -24.151 161 HG3 LYS 17 HG1 LYS 17 15.036 -5.427 -22.679 162 HD2 LYS 17 HD2 LYS 17 16.921 -4.230 -23.898 163 HD3 LYS 17 HD1 LYS 17 15.858 -4.049 -25.339 164 HE2 LYS 17 HE2 LYS 17 14.240 -2.664 -23.976 165 HE3 LYS 17 HE1 LYS 17 15.312 -2.847 -22.526 166 HZ1 LYS 17 HZ1 LYS 17 17.088 -1.874 -24.074 167 HZ2 LYS 17 HZ2 LYS 17 15.905 -0.842 -23.428 168 HZ3 LYS 17 HZ3 LYS 17 15.787 -1.364 -25.039 Start of MODEL 18 1 H1 GLU 1 HT1 GLU 1 1.728 8.259 -16.509 2 H2 GLU 1 HT2 GLU 1 0.446 7.627 -15.590 3 H3 GLU 1 HT3 GLU 1 0.922 6.857 -17.027 4 HA GLU 1 HA GLU 1 2.857 6.051 -16.150 5 HB2 GLU 1 HB2 GLU 1 2.411 8.096 -13.867 6 HB3 GLU 1 HB1 GLU 1 3.623 6.764 -13.735 7 HG2 GLU 1 HG2 GLU 1 4.833 7.644 -15.781 8 HG3 GLU 1 HG1 GLU 1 3.634 8.992 -15.907 9 H MET 2 HN MET 2 2.489 3.949 -15.580 10 HA MET 2 HA MET 2 0.612 3.421 -13.363 11 HB2 MET 2 HB2 MET 2 0.853 1.922 -16.052 12 HB3 MET 2 HB1 MET 2 -0.006 1.255 -14.610 13 HG2 MET 2 HG2 MET 2 -1.602 3.185 -14.645 14 HG3 MET 2 HG1 MET 2 -0.753 3.891 -16.056 15 HE1 MET 2 HE1 MET 2 -0.152 2.195 -18.176 16 HE2 MET 2 HE2 MET 2 -1.384 3.469 -18.465 17 HE3 MET 2 HE3 MET 2 -1.650 1.804 -19.086 18 H ARG 3 HN ARG 3 1.159 1.627 -12.045 19 HA ARG 3 HA ARG 3 3.985 0.996 -12.098 20 HB2 ARG 3 HB2 ARG 3 1.792 0.296 -10.049 21 HB3 ARG 3 HB1 ARG 3 3.540 -0.077 -9.832 22 HG2 ARG 3 HG2 ARG 3 2.359 2.757 -10.141 23 HG3 ARG 3 HG1 ARG 3 2.739 1.953 -8.577 24 HD2 ARG 3 HD2 ARG 3 5.189 1.703 -9.395 25 HD3 ARG 3 HD1 ARG 3 4.749 2.755 -10.810 26 HE ARG 3 HE ARG 3 3.904 4.114 -8.413 27 HH11 ARG 3 HH11 ARG 3 6.972 3.085 -10.019 28 HH12 ARG 3 HH12 ARG 3 7.917 4.361 -9.328 29 HH21 ARG 3 HH21 ARG 3 5.232 5.823 -7.506 30 HH22 ARG 3 HH22 ARG 3 6.917 5.931 -7.887 31 H LEU 4 HN LEU 4 1.173 -0.420 -13.291 32 HA LEU 4 HA LEU 4 2.195 -3.121 -12.970 33 HB2 LEU 4 HB2 LEU 4 -0.290 -1.937 -14.297 34 HB3 LEU 4 HB1 LEU 4 0.113 -3.702 -14.248 35 HG LEU 4 HG LEU 4 0.488 -2.969 -11.605 36 HD11 LEU 4 HD11 LEU 4 -0.329 -0.750 -11.625 37 HD12 LEU 4 HD12 LEU 4 -1.664 -1.734 -10.897 38 HD13 LEU 4 HD13 LEU 4 -1.786 -1.187 -12.614 39 HD21 LEU 4 HD21 LEU 4 -0.634 -5.020 -12.527 40 HD22 LEU 4 HD22 LEU 4 -2.136 -4.050 -12.812 41 HD23 LEU 4 HD23 LEU 4 -1.534 -4.302 -11.127 42 H SER 5 HN SER 5 1.996 -0.485 -15.294 43 HA SER 5 HA SER 5 2.877 -2.140 -17.421 44 HB2 SER 5 HB2 SER 5 2.876 0.925 -17.262 45 HB3 SER 5 HB1 SER 5 3.223 -0.080 -18.732 46 HG SER 5 HG SER 5 0.990 -0.989 -17.862 47 H LYS 6 HN LYS 6 4.255 -0.637 -14.585 48 HA LYS 6 HA LYS 6 6.838 -0.410 -15.728 49 HB2 LYS 6 HB2 LYS 6 6.056 1.252 -14.052 50 HB3 LYS 6 HB1 LYS 6 5.811 -0.066 -12.876 51 HG2 LYS 6 HG2 LYS 6 8.621 0.059 -13.925 52 HG3 LYS 6 HG1 LYS 6 8.094 1.565 -13.096 53 HD2 LYS 6 HD2 LYS 6 7.492 0.335 -11.067 54 HD3 LYS 6 HD1 LYS 6 7.744 -1.248 -11.883 55 HE2 LYS 6 HE2 LYS 6 10.223 -0.732 -12.102 56 HE3 LYS 6 HE1 LYS 6 9.959 0.857 -11.272 57 HZ1 LYS 6 HZ1 LYS 6 9.141 -0.388 -9.352 58 HZ2 LYS 6 HZ2 LYS 6 10.744 -0.783 -9.749 59 HZ3 LYS 6 HZ3 LYS 6 9.485 -1.855 -10.136 60 H PHE 7 HN PHE 7 4.871 -2.616 -13.751 61 HA PHE 7 HA PHE 7 6.849 -4.336 -12.799 62 HB2 PHE 7 HB2 PHE 7 3.929 -4.298 -12.838 63 HB3 PHE 7 HB1 PHE 7 4.465 -5.936 -13.296 64 HD1 PHE 7 HD1 PHE 7 3.862 -3.683 -10.519 65 HD2 PHE 7 HD2 PHE 7 6.044 -7.072 -11.901 66 HE1 PHE 7 HE1 PHE 7 4.239 -4.418 -8.213 67 HE2 PHE 7 HE2 PHE 7 6.411 -7.787 -9.673 68 HZ PHE 7 HZ PHE 7 5.516 -6.479 -7.756 69 H PHE 8 HN PHE 8 4.576 -4.733 -15.468 70 HA PHE 8 HA PHE 8 5.711 -7.190 -16.194 71 HB2 PHE 8 HB2 PHE 8 4.625 -5.567 -18.357 72 HB3 PHE 8 HB1 PHE 8 4.287 -7.258 -17.903 73 HD1 PHE 8 HD1 PHE 8 3.260 -4.414 -18.751 74 HD2 PHE 8 HD2 PHE 8 2.638 -7.215 -15.623 75 HE1 PHE 8 HE1 PHE 8 1.180 -3.588 -18.505 76 HE2 PHE 8 HE2 PHE 8 0.416 -6.345 -15.351 77 HZ PHE 8 HZ PHE 8 -0.359 -4.530 -16.806 78 H ARG 9 HN ARG 9 6.435 -3.858 -16.849 79 HA ARG 9 HA ARG 9 7.373 -4.060 -19.379 80 HB2 ARG 9 HB2 ARG 9 6.970 -2.183 -17.581 81 HB3 ARG 9 HB1 ARG 9 8.670 -2.399 -17.156 82 HG2 ARG 9 HG2 ARG 9 9.328 -1.682 -19.448 83 HG3 ARG 9 HG1 ARG 9 7.581 -1.515 -19.881 84 HD2 ARG 9 HD2 ARG 9 7.317 0.235 -17.976 85 HD3 ARG 9 HD1 ARG 9 9.119 0.131 -17.716 86 HE ARG 9 HE ARG 9 8.722 0.632 -20.509 87 HH11 ARG 9 HH11 ARG 9 8.101 2.305 -17.373 88 HH12 ARG 9 HH12 ARG 9 8.237 3.894 -18.047 89 HH21 ARG 9 HH21 ARG 9 8.893 2.797 -21.363 90 HH22 ARG 9 HH22 ARG 9 8.690 4.174 -20.333 91 H ASP 10 HN ASP 10 8.940 -4.613 -16.263 92 HA ASP 10 HA ASP 10 11.378 -5.380 -17.488 93 HB2 ASP 10 HB2 ASP 10 10.513 -5.274 -14.518 94 HB3 ASP 10 HB1 ASP 10 12.160 -5.777 -15.049 95 H ALA 11 HN ALA 11 8.383 -6.947 -17.028 96 HA ALA 11 HA ALA 11 9.668 -9.501 -16.335 97 HB1 ALA 11 HB1 ALA 11 7.458 -8.598 -15.225 98 HB2 ALA 11 HB2 ALA 11 7.523 -10.329 -15.745 99 HB3 ALA 11 HB3 ALA 11 6.685 -9.100 -16.777 100 H ILE 12 HN ILE 12 7.642 -8.034 -18.861 101 HA ILE 12 HA ILE 12 7.754 -10.448 -20.470 102 HB ILE 12 HB ILE 12 6.508 -7.701 -21.002 103 HG12 ILE 12 HG12 ILE 12 5.240 -10.162 -19.652 104 HG13 ILE 12 HG11 ILE 12 5.663 -8.565 -18.918 105 HG21 ILE 12 HG21 ILE 12 6.713 -9.049 -23.121 106 HG22 ILE 12 HG22 ILE 12 4.990 -9.080 -22.636 107 HG23 ILE 12 HG23 ILE 12 6.033 -10.514 -22.320 108 HD11 ILE 12 HD11 ILE 12 3.494 -9.017 -21.100 109 HD12 ILE 12 HD12 ILE 12 3.995 -7.415 -20.418 110 HD13 ILE 12 HD13 ILE 12 3.221 -8.651 -19.355 111 H LEU 13 HN LEU 13 8.930 -7.081 -20.361 112 HA LEU 13 HA LEU 13 9.851 -7.266 -23.079 113 HB2 LEU 13 HB2 LEU 13 10.172 -4.969 -21.085 114 HB3 LEU 13 HB1 LEU 13 10.344 -4.864 -22.893 115 HG LEU 13 HG LEU 13 7.829 -5.303 -21.184 116 HD11 LEU 13 HD11 LEU 13 8.846 -2.945 -21.507 117 HD12 LEU 13 HD12 LEU 13 7.077 -3.146 -21.815 118 HD13 LEU 13 HD13 LEU 13 8.232 -3.014 -23.204 119 HD21 LEU 13 HD21 LEU 13 6.484 -5.081 -23.467 120 HD22 LEU 13 HD22 LEU 13 7.213 -6.673 -23.074 121 HD23 LEU 13 HD23 LEU 13 8.021 -5.590 -24.268 122 H GLN 14 HN GLN 14 11.098 -8.255 -20.109 123 HA GLN 14 HA GLN 14 13.817 -7.444 -20.893 124 HB2 GLN 14 HB2 GLN 14 12.551 -8.751 -18.502 125 HB3 GLN 14 HB1 GLN 14 14.261 -9.204 -18.857 126 HG2 GLN 14 HG2 GLN 14 14.587 -6.545 -19.101 127 HG3 GLN 14 HG1 GLN 14 13.035 -6.492 -18.201 128 HE21 GLN 14 HE21 GLN 14 16.347 -8.097 -18.031 129 HE22 GLN 14 HE22 GLN 14 16.475 -8.049 -16.305 130 H ARG 15 HN ARG 15 11.454 -9.766 -21.590 131 HA ARG 15 HA ARG 15 13.357 -11.869 -22.243 132 HB2 ARG 15 HB2 ARG 15 10.428 -11.697 -23.114 133 HB3 ARG 15 HB1 ARG 15 11.432 -13.175 -22.860 134 HG2 ARG 15 HG2 ARG 15 11.508 -12.670 -20.387 135 HG3 ARG 15 HG1 ARG 15 10.513 -11.194 -20.693 136 HD2 ARG 15 HD2 ARG 15 9.014 -12.908 -19.870 137 HD3 ARG 15 HD1 ARG 15 8.674 -12.708 -21.641 138 HE ARG 15 HE ARG 15 10.630 -14.831 -21.260 139 HH11 ARG 15 HH11 ARG 15 7.122 -14.152 -20.762 140 HH12 ARG 15 HH12 ARG 15 6.643 -15.808 -20.925 141 HH21 ARG 15 HH21 ARG 15 9.927 -17.054 -21.480 142 HH22 ARG 15 HH22 ARG 15 8.253 -17.470 -21.336 143 H LYS 16 HN LYS 16 11.261 -9.436 -23.868 144 HA LYS 16 HA LYS 16 12.737 -9.928 -26.370 145 HB2 LYS 16 HB2 LYS 16 9.999 -8.767 -25.631 146 HB3 LYS 16 HB1 LYS 16 10.780 -8.235 -27.157 147 HG2 LYS 16 HG2 LYS 16 9.225 -10.008 -27.655 148 HG3 LYS 16 HG1 LYS 16 10.884 -10.615 -27.943 149 HD2 LYS 16 HD2 LYS 16 10.804 -11.959 -25.823 150 HD3 LYS 16 HD1 LYS 16 9.208 -11.236 -25.404 151 HE2 LYS 16 HE2 LYS 16 8.154 -12.341 -27.405 152 HE3 LYS 16 HE1 LYS 16 9.761 -13.020 -27.890 153 HZ1 LYS 16 HZ1 LYS 16 9.795 -14.355 -25.978 154 HZ2 LYS 16 HZ2 LYS 16 8.242 -14.521 -26.642 155 HZ3 LYS 16 HZ3 LYS 16 8.478 -13.558 -25.263 156 H LYS 17 HN LYS 17 14.649 -8.696 -26.242 157 HA LYS 17 HA LYS 17 14.305 -5.822 -26.143 158 HB2 LYS 17 HB2 LYS 17 15.279 -7.295 -23.733 159 HB3 LYS 17 HB1 LYS 17 16.567 -6.221 -24.362 160 HG2 LYS 17 HG2 LYS 17 13.754 -5.047 -23.982 161 HG3 LYS 17 HG1 LYS 17 14.723 -5.406 -22.517 162 HD2 LYS 17 HD2 LYS 17 16.603 -3.963 -23.478 163 HD3 LYS 17 HD1 LYS 17 15.527 -3.549 -24.862 164 HE2 LYS 17 HE2 LYS 17 13.876 -2.484 -23.293 165 HE3 LYS 17 HE1 LYS 17 14.900 -2.954 -21.874 166 HZ1 LYS 17 HZ1 LYS 17 15.230 -0.819 -23.806 167 HZ2 LYS 17 HZ2 LYS 17 16.656 -1.648 -23.404 168 HZ3 LYS 17 HZ3 LYS 17 15.715 -0.933 -22.184 Start of MODEL 19 1 H1 GLU 1 HT1 GLU 1 2.990 6.841 -13.447 2 H2 GLU 1 HT2 GLU 1 3.298 7.890 -14.746 3 H3 GLU 1 HT3 GLU 1 3.634 6.232 -14.895 4 HA GLU 1 HA GLU 1 1.026 7.577 -14.742 5 HB2 GLU 1 HB2 GLU 1 2.403 5.753 -16.826 6 HB3 GLU 1 HB1 GLU 1 0.627 6.068 -16.874 7 HG2 GLU 1 HG2 GLU 1 1.048 8.547 -17.114 8 HG3 GLU 1 HG1 GLU 1 2.831 8.255 -17.053 9 H MET 2 HN MET 2 2.235 4.137 -15.269 10 HA MET 2 HA MET 2 0.342 3.276 -13.172 11 HB2 MET 2 HB2 MET 2 0.846 1.881 -15.880 12 HB3 MET 2 HB1 MET 2 -0.083 1.166 -14.508 13 HG2 MET 2 HG2 MET 2 -1.784 3.007 -14.691 14 HG3 MET 2 HG1 MET 2 -0.858 3.746 -16.033 15 HE1 MET 2 HE1 MET 2 -2.016 -0.070 -15.107 16 HE2 MET 2 HE2 MET 2 -3.531 -0.058 -16.072 17 HE3 MET 2 HE3 MET 2 -3.296 1.145 -14.757 18 H ARG 3 HN ARG 3 1.090 1.599 -11.850 19 HA ARG 3 HA ARG 3 3.952 1.113 -11.999 20 HB2 ARG 3 HB2 ARG 3 1.934 0.245 -9.835 21 HB3 ARG 3 HB1 ARG 3 3.728 0.153 -9.699 22 HG2 ARG 3 HG2 ARG 3 2.034 2.722 -9.920 23 HG3 ARG 3 HG1 ARG 3 2.795 2.066 -8.429 24 HD2 ARG 3 HD2 ARG 3 5.104 2.305 -9.640 25 HD3 ARG 3 HD1 ARG 3 4.220 3.233 -10.930 26 HE ARG 3 HE ARG 3 3.509 4.377 -8.377 27 HH11 ARG 3 HH11 ARG 3 6.414 4.076 -10.502 28 HH12 ARG 3 HH12 ARG 3 7.131 5.552 -9.951 29 HH21 ARG 3 HH21 ARG 3 4.527 6.363 -7.670 30 HH22 ARG 3 HH22 ARG 3 6.049 6.861 -8.329 31 H LEU 4 HN LEU 4 1.167 -0.407 -13.085 32 HA LEU 4 HA LEU 4 2.245 -3.088 -12.783 33 HB2 LEU 4 HB2 LEU 4 -0.236 -1.974 -14.186 34 HB3 LEU 4 HB1 LEU 4 0.195 -3.724 -14.047 35 HG LEU 4 HG LEU 4 0.458 -2.850 -11.423 36 HD11 LEU 4 HD11 LEU 4 -0.456 -0.670 -11.596 37 HD12 LEU 4 HD12 LEU 4 -1.785 -1.675 -10.883 38 HD13 LEU 4 HD13 LEU 4 -1.841 -1.223 -12.630 39 HD21 LEU 4 HD21 LEU 4 -1.536 -4.240 -10.961 40 HD22 LEU 4 HD22 LEU 4 -0.535 -4.992 -12.272 41 HD23 LEU 4 HD23 LEU 4 -2.059 -4.110 -12.687 42 H SER 5 HN SER 5 1.966 -0.443 -15.125 43 HA SER 5 HA SER 5 2.838 -2.016 -17.275 44 HB2 SER 5 HB2 SER 5 3.068 1.028 -16.968 45 HB3 SER 5 HB1 SER 5 3.418 0.066 -18.468 46 HG SER 5 HG SER 5 1.137 -0.741 -17.969 47 H LYS 6 HN LYS 6 4.332 -0.214 -14.558 48 HA LYS 6 HA LYS 6 6.888 -0.230 -15.581 49 HB2 LYS 6 HB2 LYS 6 6.109 1.331 -13.830 50 HB3 LYS 6 HB1 LYS 6 5.854 -0.044 -12.724 51 HG2 LYS 6 HG2 LYS 6 8.680 0.123 -13.737 52 HG3 LYS 6 HG1 LYS 6 8.146 1.603 -12.865 53 HD2 LYS 6 HD2 LYS 6 7.419 0.212 -10.919 54 HD3 LYS 6 HD1 LYS 6 7.914 -1.281 -11.790 55 HE2 LYS 6 HE2 LYS 6 10.321 -0.510 -11.774 56 HE3 LYS 6 HE1 LYS 6 9.833 1.024 -10.944 57 HZ1 LYS 6 HZ1 LYS 6 9.833 -0.009 -9.023 58 HZ2 LYS 6 HZ2 LYS 6 10.549 -1.348 -9.782 59 HZ3 LYS 6 HZ3 LYS 6 8.865 -1.289 -9.578 60 H PHE 7 HN PHE 7 4.978 -2.537 -13.650 61 HA PHE 7 HA PHE 7 7.006 -4.267 -12.843 62 HB2 PHE 7 HB2 PHE 7 4.085 -4.241 -12.730 63 HB3 PHE 7 HB1 PHE 7 4.621 -5.869 -13.235 64 HD1 PHE 7 HD1 PHE 7 4.132 -3.649 -10.410 65 HD2 PHE 7 HD2 PHE 7 6.279 -7.007 -11.921 66 HE1 PHE 7 HE1 PHE 7 4.635 -4.395 -8.130 67 HE2 PHE 7 HE2 PHE 7 6.766 -7.731 -9.717 68 HZ PHE 7 HZ PHE 7 5.955 -6.444 -7.748 69 H PHE 8 HN PHE 8 4.647 -4.540 -15.480 70 HA PHE 8 HA PHE 8 5.794 -7.020 -16.197 71 HB2 PHE 8 HB2 PHE 8 4.530 -5.652 -18.387 72 HB3 PHE 8 HB1 PHE 8 4.205 -7.253 -17.683 73 HD1 PHE 8 HD1 PHE 8 3.309 -4.310 -18.658 74 HD2 PHE 8 HD2 PHE 8 2.579 -7.093 -15.547 75 HE1 PHE 8 HE1 PHE 8 1.276 -3.391 -18.413 76 HE2 PHE 8 HE2 PHE 8 0.391 -6.126 -15.264 77 HZ PHE 8 HZ PHE 8 -0.305 -4.275 -16.715 78 H ARG 9 HN ARG 9 6.469 -3.681 -16.970 79 HA ARG 9 HA ARG 9 7.268 -4.003 -19.585 80 HB2 ARG 9 HB2 ARG 9 7.543 -2.108 -17.374 81 HB3 ARG 9 HB1 ARG 9 9.056 -2.109 -18.320 82 HG2 ARG 9 HG2 ARG 9 7.891 -1.323 -20.329 83 HG3 ARG 9 HG1 ARG 9 6.285 -1.612 -19.584 84 HD2 ARG 9 HD2 ARG 9 6.617 0.793 -19.441 85 HD3 ARG 9 HD1 ARG 9 6.997 0.197 -17.764 86 HE ARG 9 HE ARG 9 9.439 0.204 -19.338 87 HH11 ARG 9 HH11 ARG 9 7.118 2.540 -17.854 88 HH12 ARG 9 HH12 ARG 9 8.301 3.791 -17.665 89 HH21 ARG 9 HH21 ARG 9 10.991 1.927 -19.056 90 HH22 ARG 9 HH22 ARG 9 10.519 3.438 -18.355 91 H ASP 10 HN ASP 10 8.960 -4.366 -16.514 92 HA ASP 10 HA ASP 10 11.356 -5.196 -17.766 93 HB2 ASP 10 HB2 ASP 10 10.560 -5.102 -14.773 94 HB3 ASP 10 HB1 ASP 10 12.209 -5.520 -15.359 95 H ALA 11 HN ALA 11 8.377 -6.784 -17.196 96 HA ALA 11 HA ALA 11 9.707 -9.321 -16.503 97 HB1 ALA 11 HB1 ALA 11 6.705 -8.938 -16.831 98 HB2 ALA 11 HB2 ALA 11 7.544 -8.436 -15.314 99 HB3 ALA 11 HB3 ALA 11 7.590 -10.165 -15.835 100 H ILE 12 HN ILE 12 7.605 -7.895 -18.995 101 HA ILE 12 HA ILE 12 7.614 -10.355 -20.540 102 HB ILE 12 HB ILE 12 6.379 -7.605 -21.070 103 HG12 ILE 12 HG12 ILE 12 5.126 -10.048 -19.670 104 HG13 ILE 12 HG11 ILE 12 5.598 -8.460 -18.948 105 HG21 ILE 12 HG21 ILE 12 6.487 -8.935 -23.191 106 HG22 ILE 12 HG22 ILE 12 4.785 -8.987 -22.636 107 HG23 ILE 12 HG23 ILE 12 5.855 -10.412 -22.372 108 HD11 ILE 12 HD11 ILE 12 3.893 -7.283 -20.391 109 HD12 ILE 12 HD12 ILE 12 3.143 -8.503 -19.292 110 HD13 ILE 12 HD13 ILE 12 3.341 -8.880 -21.043 111 H LEU 13 HN LEU 13 8.834 -7.009 -20.581 112 HA LEU 13 HA LEU 13 9.660 -7.265 -23.329 113 HB2 LEU 13 HB2 LEU 13 10.072 -4.937 -21.381 114 HB3 LEU 13 HB1 LEU 13 10.178 -4.858 -23.196 115 HG LEU 13 HG LEU 13 7.719 -5.253 -21.394 116 HD11 LEU 13 HD11 LEU 13 8.669 -2.922 -21.663 117 HD12 LEU 13 HD12 LEU 13 6.931 -3.098 -22.125 118 HD13 LEU 13 HD13 LEU 13 8.202 -2.968 -23.409 119 HD21 LEU 13 HD21 LEU 13 6.308 -5.010 -23.647 120 HD22 LEU 13 HD22 LEU 13 6.999 -6.619 -23.239 121 HD23 LEU 13 HD23 LEU 13 7.809 -5.583 -24.476 122 H GLN 14 HN GLN 14 10.985 -8.211 -20.391 123 HA GLN 14 HA GLN 14 13.700 -7.451 -21.260 124 HB2 GLN 14 HB2 GLN 14 12.461 -8.543 -18.752 125 HB3 GLN 14 HB1 GLN 14 14.154 -9.053 -19.097 126 HG2 GLN 14 HG2 GLN 14 14.520 -6.426 -19.556 127 HG3 GLN 14 HG1 GLN 14 12.988 -6.275 -18.629 128 HE21 GLN 14 HE21 GLN 14 16.255 -7.980 -18.402 129 HE22 GLN 14 HE22 GLN 14 16.435 -7.779 -16.693 130 H ARG 15 HN ARG 15 11.307 -9.805 -21.729 131 HA ARG 15 HA ARG 15 13.106 -12.028 -22.102 132 HB2 ARG 15 HB2 ARG 15 10.274 -11.665 -23.218 133 HB3 ARG 15 HB1 ARG 15 11.144 -13.223 -22.932 134 HG2 ARG 15 HG2 ARG 15 11.193 -12.662 -20.441 135 HG3 ARG 15 HG1 ARG 15 10.240 -11.178 -20.822 136 HD2 ARG 15 HD2 ARG 15 8.681 -12.846 -20.003 137 HD3 ARG 15 HD1 ARG 15 8.401 -12.685 -21.788 138 HE ARG 15 HE ARG 15 10.310 -14.828 -21.293 139 HH11 ARG 15 HH11 ARG 15 6.790 -14.109 -20.912 140 HH12 ARG 15 HH12 ARG 15 6.304 -15.764 -21.070 141 HH21 ARG 15 HH21 ARG 15 9.592 -17.044 -21.506 142 HH22 ARG 15 HH22 ARG 15 7.910 -17.444 -21.410 143 H LYS 16 HN LYS 16 11.467 -9.564 -24.131 144 HA LYS 16 HA LYS 16 13.118 -10.392 -26.426 145 HB2 LYS 16 HB2 LYS 16 10.571 -8.698 -26.035 146 HB3 LYS 16 HB1 LYS 16 11.552 -8.522 -27.529 147 HG2 LYS 16 HG2 LYS 16 9.664 -10.009 -27.929 148 HG3 LYS 16 HG1 LYS 16 11.193 -10.928 -28.080 149 HD2 LYS 16 HD2 LYS 16 10.799 -12.137 -25.988 150 HD3 LYS 16 HD1 LYS 16 9.542 -10.972 -25.466 151 HE2 LYS 16 HE2 LYS 16 8.392 -13.024 -26.151 152 HE3 LYS 16 HE1 LYS 16 8.064 -11.799 -27.441 153 HZ1 LYS 16 HZ1 LYS 16 9.193 -14.328 -27.690 154 HZ2 LYS 16 HZ2 LYS 16 10.431 -13.222 -28.045 155 HZ3 LYS 16 HZ3 LYS 16 8.962 -13.154 -28.894 156 H LYS 17 HN LYS 17 15.179 -9.445 -26.078 157 HA LYS 17 HA LYS 17 15.303 -6.563 -26.058 158 HB2 LYS 17 HB2 LYS 17 15.644 -8.083 -23.488 159 HB3 LYS 17 HB1 LYS 17 17.135 -7.184 -23.905 160 HG2 LYS 17 HG2 LYS 17 14.400 -5.744 -23.907 161 HG3 LYS 17 HG1 LYS 17 15.248 -6.061 -22.358 162 HD2 LYS 17 HD2 LYS 17 17.285 -4.832 -23.259 163 HD3 LYS 17 HD1 LYS 17 16.381 -4.472 -24.773 164 HE2 LYS 17 HE2 LYS 17 14.676 -3.158 -23.447 165 HE3 LYS 17 HE1 LYS 17 15.584 -3.526 -21.922 166 HZ1 LYS 17 HZ1 LYS 17 16.576 -1.992 -24.276 167 HZ2 LYS 17 HZ2 LYS 17 17.506 -2.404 -22.916 168 HZ3 LYS 17 HZ3 LYS 17 16.160 -1.383 -22.746 Start of MODEL 20 1 H1 GLU 1 HT1 GLU 1 3.383 6.001 -14.503 2 H2 GLU 1 HT2 GLU 1 2.955 7.485 -13.796 3 H3 GLU 1 HT3 GLU 1 3.424 7.425 -15.428 4 HA GLU 1 HA GLU 1 0.954 7.581 -14.770 5 HB2 GLU 1 HB2 GLU 1 2.132 5.732 -16.953 6 HB3 GLU 1 HB1 GLU 1 0.364 6.083 -16.859 7 HG2 GLU 1 HG2 GLU 1 0.817 8.553 -17.141 8 HG3 GLU 1 HG1 GLU 1 2.592 8.221 -17.228 9 H MET 2 HN MET 2 2.175 4.145 -15.304 10 HA MET 2 HA MET 2 0.354 3.290 -13.141 11 HB2 MET 2 HB2 MET 2 0.805 1.854 -15.837 12 HB3 MET 2 HB1 MET 2 -0.078 1.151 -14.432 13 HG2 MET 2 HG2 MET 2 -1.807 2.957 -14.601 14 HG3 MET 2 HG1 MET 2 -0.931 3.681 -15.991 15 HE1 MET 2 HE1 MET 2 -3.983 2.980 -15.985 16 HE2 MET 2 HE2 MET 2 -4.169 2.300 -17.638 17 HE3 MET 2 HE3 MET 2 -3.086 3.707 -17.363 18 H ARG 3 HN ARG 3 1.138 1.602 -11.842 19 HA ARG 3 HA ARG 3 4.009 1.150 -12.033 20 HB2 ARG 3 HB2 ARG 3 2.011 0.256 -9.853 21 HB3 ARG 3 HB1 ARG 3 3.806 0.154 -9.736 22 HG2 ARG 3 HG2 ARG 3 2.133 2.740 -9.924 23 HG3 ARG 3 HG1 ARG 3 2.875 2.055 -8.436 24 HD2 ARG 3 HD2 ARG 3 5.195 2.287 -9.607 25 HD3 ARG 3 HD1 ARG 3 4.343 3.222 -10.915 26 HE ARG 3 HE ARG 3 3.599 4.366 -8.367 27 HH11 ARG 3 HH11 ARG 3 6.532 4.063 -10.454 28 HH12 ARG 3 HH12 ARG 3 7.241 5.539 -9.890 29 HH21 ARG 3 HH21 ARG 3 4.606 6.349 -7.646 30 HH22 ARG 3 HH22 ARG 3 6.138 6.846 -8.282 31 H LEU 4 HN LEU 4 1.212 -0.388 -13.089 32 HA LEU 4 HA LEU 4 2.327 -3.053 -12.831 33 HB2 LEU 4 HB2 LEU 4 -0.214 -1.958 -14.138 34 HB3 LEU 4 HB1 LEU 4 0.244 -3.704 -14.045 35 HG LEU 4 HG LEU 4 0.589 -2.887 -11.417 36 HD11 LEU 4 HD11 LEU 4 -1.755 -1.235 -12.495 37 HD12 LEU 4 HD12 LEU 4 -0.339 -0.710 -11.488 38 HD13 LEU 4 HD13 LEU 4 -1.640 -1.740 -10.763 39 HD21 LEU 4 HD21 LEU 4 -1.973 -4.124 -12.614 40 HD22 LEU 4 HD22 LEU 4 -1.394 -4.284 -10.911 41 HD23 LEU 4 HD23 LEU 4 -0.437 -5.014 -12.266 42 H SER 5 HN SER 5 2.005 -0.397 -15.150 43 HA SER 5 HA SER 5 2.900 -2.012 -17.289 44 HB2 SER 5 HB2 SER 5 3.030 -0.046 -18.695 45 HB3 SER 5 HB1 SER 5 1.490 0.034 -17.771 46 HG SER 5 HG SER 5 3.816 1.253 -16.757 47 H LYS 6 HN LYS 6 4.325 -0.556 -14.479 48 HA LYS 6 HA LYS 6 6.880 -0.275 -15.678 49 HB2 LYS 6 HB2 LYS 6 6.164 1.371 -13.982 50 HB3 LYS 6 HB1 LYS 6 5.872 0.054 -12.818 51 HG2 LYS 6 HG2 LYS 6 8.708 0.121 -13.816 52 HG3 LYS 6 HG1 LYS 6 8.198 1.641 -13.003 53 HD2 LYS 6 HD2 LYS 6 7.451 0.346 -11.001 54 HD3 LYS 6 HD1 LYS 6 7.898 -1.194 -11.814 55 HE2 LYS 6 HE2 LYS 6 10.326 -0.498 -11.835 56 HE3 LYS 6 HE1 LYS 6 9.891 1.089 -11.079 57 HZ1 LYS 6 HZ1 LYS 6 9.893 -1.618 -9.914 58 HZ2 LYS 6 HZ2 LYS 6 8.850 -0.436 -9.282 59 HZ3 LYS 6 HZ3 LYS 6 10.527 -0.162 -9.312 60 H PHE 7 HN PHE 7 4.983 -2.533 -13.689 61 HA PHE 7 HA PHE 7 7.012 -4.259 -12.829 62 HB2 PHE 7 HB2 PHE 7 4.095 -4.209 -12.705 63 HB3 PHE 7 HB1 PHE 7 4.597 -5.845 -13.214 64 HD1 PHE 7 HD1 PHE 7 4.174 -3.612 -10.380 65 HD2 PHE 7 HD2 PHE 7 6.226 -7.021 -11.911 66 HE1 PHE 7 HE1 PHE 7 4.666 -4.380 -8.101 67 HE2 PHE 7 HE2 PHE 7 6.703 -7.767 -9.710 68 HZ PHE 7 HZ PHE 7 5.933 -6.466 -7.733 69 H PHE 8 HN PHE 8 4.621 -4.617 -15.417 70 HA PHE 8 HA PHE 8 5.741 -7.083 -16.174 71 HB2 PHE 8 HB2 PHE 8 4.575 -5.558 -18.345 72 HB3 PHE 8 HB1 PHE 8 4.220 -7.207 -17.769 73 HD1 PHE 8 HD1 PHE 8 3.257 -4.297 -18.669 74 HD2 PHE 8 HD2 PHE 8 2.610 -7.089 -15.538 75 HE1 PHE 8 HE1 PHE 8 1.194 -3.420 -18.395 76 HE2 PHE 8 HE2 PHE 8 0.414 -6.163 -15.232 77 HZ PHE 8 HZ PHE 8 -0.335 -4.328 -16.673 78 H ARG 9 HN ARG 9 6.437 -3.745 -16.857 79 HA ARG 9 HA ARG 9 7.290 -3.927 -19.424 80 HB2 ARG 9 HB2 ARG 9 6.985 -2.070 -17.550 81 HB3 ARG 9 HB1 ARG 9 8.712 -2.294 -17.256 82 HG2 ARG 9 HG2 ARG 9 9.179 -1.562 -19.616 83 HG3 ARG 9 HG1 ARG 9 7.405 -1.337 -19.864 84 HD2 ARG 9 HD2 ARG 9 7.354 0.410 -17.975 85 HD3 ARG 9 HD1 ARG 9 9.152 0.196 -17.770 86 HE ARG 9 HE ARG 9 8.648 0.804 -20.550 87 HH11 ARG 9 HH11 ARG 9 8.444 2.403 -17.318 88 HH12 ARG 9 HH12 ARG 9 8.716 3.995 -17.944 89 HH21 ARG 9 HH21 ARG 9 9.019 2.983 -21.337 90 HH22 ARG 9 HH22 ARG 9 9.045 4.325 -20.244 91 H ASP 10 HN ASP 10 8.998 -4.521 -16.368 92 HA ASP 10 HA ASP 10 11.365 -5.315 -17.702 93 HB2 ASP 10 HB2 ASP 10 10.654 -5.348 -14.687 94 HB3 ASP 10 HB1 ASP 10 12.279 -5.768 -15.348 95 H ALA 11 HN ALA 11 8.369 -6.865 -17.117 96 HA ALA 11 HA ALA 11 9.655 -9.437 -16.500 97 HB1 ALA 11 HB1 ALA 11 6.664 -8.999 -16.871 98 HB2 ALA 11 HB2 ALA 11 7.478 -8.545 -15.326 99 HB3 ALA 11 HB3 ALA 11 7.511 -10.264 -15.890 100 H ILE 12 HN ILE 12 7.573 -7.924 -18.956 101 HA ILE 12 HA ILE 12 7.585 -10.330 -20.570 102 HB ILE 12 HB ILE 12 6.389 -7.553 -21.039 103 HG12 ILE 12 HG12 ILE 12 5.116 -10.015 -19.698 104 HG13 ILE 12 HG11 ILE 12 5.581 -8.434 -18.956 105 HG21 ILE 12 HG21 ILE 12 4.798 -8.852 -22.663 106 HG22 ILE 12 HG22 ILE 12 5.811 -10.319 -22.412 107 HG23 ILE 12 HG23 ILE 12 6.514 -8.855 -23.193 108 HD11 ILE 12 HD11 ILE 12 3.124 -8.488 -19.323 109 HD12 ILE 12 HD12 ILE 12 3.342 -8.829 -21.079 110 HD13 ILE 12 HD13 ILE 12 3.883 -7.244 -20.388 111 H LEU 13 HN LEU 13 8.866 -7.004 -20.503 112 HA LEU 13 HA LEU 13 9.648 -7.208 -23.266 113 HB2 LEU 13 HB2 LEU 13 10.085 -4.928 -21.264 114 HB3 LEU 13 HB1 LEU 13 10.193 -4.799 -23.073 115 HG LEU 13 HG LEU 13 7.721 -5.213 -21.280 116 HD11 LEU 13 HD11 LEU 13 6.991 -3.030 -21.865 117 HD12 LEU 13 HD12 LEU 13 8.139 -2.889 -23.258 118 HD13 LEU 13 HD13 LEU 13 8.765 -2.874 -21.565 119 HD21 LEU 13 HD21 LEU 13 7.022 -6.531 -23.182 120 HD22 LEU 13 HD22 LEU 13 7.802 -5.427 -24.376 121 HD23 LEU 13 HD23 LEU 13 6.306 -4.912 -23.504 122 H GLN 14 HN GLN 14 11.059 -8.244 -20.376 123 HA GLN 14 HA GLN 14 13.739 -7.455 -21.377 124 HB2 GLN 14 HB2 GLN 14 12.766 -8.698 -18.787 125 HB3 GLN 14 HB1 GLN 14 14.502 -8.869 -19.272 126 HG2 GLN 14 HG2 GLN 14 14.286 -6.205 -19.658 127 HG3 GLN 14 HG1 GLN 14 12.894 -6.401 -18.551 128 HE21 GLN 14 HE21 GLN 14 13.427 -7.667 -16.371 129 HE22 GLN 14 HE22 GLN 14 14.980 -7.376 -15.660 130 H ARG 15 HN ARG 15 11.310 -9.796 -21.702 131 HA ARG 15 HA ARG 15 13.044 -12.048 -22.155 132 HB2 ARG 15 HB2 ARG 15 10.196 -11.537 -23.194 133 HB3 ARG 15 HB1 ARG 15 11.021 -13.139 -23.099 134 HG2 ARG 15 HG2 ARG 15 11.122 -12.920 -20.592 135 HG3 ARG 15 HG1 ARG 15 10.304 -11.309 -20.733 136 HD2 ARG 15 HD2 ARG 15 8.249 -12.270 -21.502 137 HD3 ARG 15 HD1 ARG 15 8.988 -13.916 -21.769 138 HE ARG 15 HE ARG 15 9.310 -13.132 -18.986 139 HH11 ARG 15 HH11 ARG 15 6.746 -14.213 -21.293 140 HH12 ARG 15 HH12 ARG 15 5.728 -14.867 -20.054 141 HH21 ARG 15 HH21 ARG 15 7.886 -14.030 -17.357 142 HH22 ARG 15 HH22 ARG 15 6.379 -14.760 -17.804 143 H LYS 16 HN LYS 16 11.449 -9.524 -24.144 144 HA LYS 16 HA LYS 16 13.101 -10.338 -26.445 145 HB2 LYS 16 HB2 LYS 16 10.507 -8.756 -26.021 146 HB3 LYS 16 HB1 LYS 16 11.513 -8.374 -27.457 147 HG2 LYS 16 HG2 LYS 16 9.734 -9.901 -28.066 148 HG3 LYS 16 HG1 LYS 16 11.317 -10.717 -28.259 149 HD2 LYS 16 HD2 LYS 16 10.900 -12.016 -26.105 150 HD3 LYS 16 HD1 LYS 16 9.338 -11.144 -25.904 151 HE2 LYS 16 HE2 LYS 16 8.469 -12.168 -28.045 152 HE3 LYS 16 HE1 LYS 16 10.053 -13.013 -28.285 153 HZ1 LYS 16 HZ1 LYS 16 8.131 -13.403 -26.044 154 HZ2 LYS 16 HZ2 LYS 16 9.657 -14.138 -26.160 155 HZ3 LYS 16 HZ3 LYS 16 8.464 -14.472 -27.321 156 H LYS 17 HN LYS 17 15.163 -9.401 -26.083 157 HA LYS 17 HA LYS 17 15.293 -6.521 -26.075 158 HB2 LYS 17 HB2 LYS 17 15.619 -8.010 -23.485 159 HB3 LYS 17 HB1 LYS 17 17.115 -7.121 -23.908 160 HG2 LYS 17 HG2 LYS 17 14.373 -5.689 -23.922 161 HG3 LYS 17 HG1 LYS 17 15.252 -5.961 -22.381 162 HD2 LYS 17 HD2 LYS 17 17.249 -4.721 -23.310 163 HD3 LYS 17 HD1 LYS 17 16.369 -4.449 -24.855 164 HE2 LYS 17 HE2 LYS 17 14.622 -3.099 -23.624 165 HE3 LYS 17 HE1 LYS 17 15.513 -3.371 -22.070 166 HZ1 LYS 17 HZ1 LYS 17 16.192 -1.315 -22.845 167 HZ2 LYS 17 HZ2 LYS 17 16.356 -1.825 -24.456 168 HZ3 LYS 17 HZ3 LYS 17 17.469 -2.344 -23.284
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