NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586279 | 2mnw | 19910 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 9.755 -19.110 0.694 2 HA MET 1 HA MET 1 8.739 -17.450 -0.404 3 HB2 MET 1 HB2 MET 1 9.734 -16.026 2.066 4 HB3 MET 1 HB1 MET 1 8.189 -15.807 1.255 5 HG2 MET 1 HG2 MET 1 7.249 -17.505 2.345 6 HG3 MET 1 HG1 MET 1 8.650 -18.549 2.112 7 HE1 MET 1 HE1 MET 1 6.672 -18.178 4.887 8 HE2 MET 1 HE2 MET 1 7.972 -18.634 5.990 9 HE3 MET 1 HE3 MET 1 7.778 -19.481 4.456 10 H LEU 2 HN LEU 2 8.713 -15.385 -1.419 11 HA LEU 2 HA LEU 2 11.371 -14.160 -1.748 12 HB2 LEU 2 HB2 LEU 2 9.300 -14.732 -3.864 13 HB3 LEU 2 HB1 LEU 2 10.672 -13.671 -4.117 14 HG LEU 2 HG LEU 2 11.064 -16.519 -3.252 15 HD11 LEU 2 HD11 LEU 2 10.396 -15.464 -5.959 16 HD12 LEU 2 HD12 LEU 2 9.890 -16.960 -5.175 17 HD13 LEU 2 HD13 LEU 2 11.530 -16.805 -5.804 18 HD21 LEU 2 HD21 LEU 2 13.006 -15.440 -5.055 19 HD22 LEU 2 HD22 LEU 2 13.215 -15.999 -3.397 20 HD23 LEU 2 HD23 LEU 2 12.761 -14.325 -3.712 21 H THR 3 HN THR 3 11.469 -12.001 -1.568 22 HA THR 3 HA THR 3 9.173 -10.580 -0.640 23 HB THR 3 HB THR 3 11.959 -9.637 -1.329 24 HG1 THR 3 HG1 THR 3 11.396 -10.987 0.655 25 HG21 THR 3 HG21 THR 3 9.579 -8.095 -0.991 26 HG22 THR 3 HG22 THR 3 11.230 -7.538 -1.265 27 HG23 THR 3 HG23 THR 3 10.652 -7.806 0.379 28 HA PRO 4 HA PRO 4 7.657 -9.547 -4.728 29 HB2 PRO 4 HB2 PRO 4 5.774 -7.758 -3.809 30 HB3 PRO 4 HB1 PRO 4 5.528 -9.504 -3.902 31 HG2 PRO 4 HG2 PRO 4 6.295 -7.819 -1.552 32 HG3 PRO 4 HG1 PRO 4 5.164 -9.184 -1.633 33 HD2 PRO 4 HD2 PRO 4 7.643 -9.472 -0.645 34 HD3 PRO 4 HD1 PRO 4 6.867 -10.758 -1.594 35 H ALA 5 HN ALA 5 8.194 -7.950 -6.148 36 HA ALA 5 HA ALA 5 9.847 -5.802 -5.194 37 HB1 ALA 5 HB1 ALA 5 10.750 -6.167 -7.193 38 HB2 ALA 5 HB2 ALA 5 9.348 -5.364 -7.899 39 HB3 ALA 5 HB3 ALA 5 9.360 -7.117 -7.716 40 H PHE 6 HN PHE 6 7.572 -5.299 -3.978 41 HA PHE 6 HA PHE 6 5.588 -3.884 -5.327 42 HB2 PHE 6 HB2 PHE 6 4.949 -3.020 -3.164 43 HB3 PHE 6 HB1 PHE 6 5.431 -4.701 -2.982 44 HD1 PHE 6 HD1 PHE 6 6.293 -1.224 -2.252 45 HD2 PHE 6 HD2 PHE 6 7.435 -5.297 -1.782 46 HE1 PHE 6 HE1 PHE 6 7.893 -0.569 -0.502 47 HE2 PHE 6 HE2 PHE 6 9.037 -4.650 -0.031 48 HZ PHE 6 HZ PHE 6 9.267 -2.283 0.612 49 H ASP 7 HN ASP 7 5.140 -1.565 -5.204 50 HA ASP 7 HA ASP 7 7.441 0.193 -4.961 51 HB2 ASP 7 HB2 ASP 7 6.660 -0.793 -7.480 52 HB3 ASP 7 HB1 ASP 7 6.048 0.858 -7.403 53 H LEU 8 HN LEU 8 6.878 2.358 -4.604 54 HA LEU 8 HA LEU 8 3.990 2.823 -4.252 55 HB2 LEU 8 HB2 LEU 8 5.810 4.415 -2.581 56 HB3 LEU 8 HB1 LEU 8 4.274 3.673 -2.183 57 HG LEU 8 HG LEU 8 6.563 1.829 -2.546 58 HD11 LEU 8 HD11 LEU 8 7.420 3.860 -1.275 59 HD12 LEU 8 HD12 LEU 8 7.593 2.289 -0.490 60 HD13 LEU 8 HD13 LEU 8 6.304 3.387 0.006 61 HD21 LEU 8 HD21 LEU 8 4.074 2.035 -0.929 62 HD22 LEU 8 HD22 LEU 8 5.403 1.054 -0.312 63 HD23 LEU 8 HD23 LEU 8 4.695 0.688 -1.884 64 H SER 9 HN SER 9 3.141 4.692 -4.952 65 HA SER 9 HA SER 9 4.891 6.834 -5.881 66 HB2 SER 9 HB2 SER 9 3.559 6.994 -8.013 67 HB3 SER 9 HB1 SER 9 4.570 5.553 -7.904 68 HG SER 9 HG SER 9 1.804 5.798 -7.872 69 H GLN 10 HN GLN 10 4.063 8.812 -5.462 70 HA GLN 10 HA GLN 10 1.226 8.934 -4.703 71 HB2 GLN 10 HB2 GLN 10 1.687 10.137 -2.750 72 HB3 GLN 10 HB1 GLN 10 2.873 8.843 -2.761 73 HG2 GLN 10 HG2 GLN 10 3.418 11.644 -3.710 74 HG3 GLN 10 HG1 GLN 10 3.778 11.050 -2.090 75 HE21 GLN 10 HE21 GLN 10 5.086 11.653 -5.016 76 HE22 GLN 10 HE22 GLN 10 6.424 10.559 -4.979 77 H ASP 11 HN ASP 11 0.107 10.707 -5.231 78 HA ASP 11 HA ASP 11 1.458 12.711 -6.898 79 HB2 ASP 11 HB2 ASP 11 -1.272 11.491 -6.945 80 HB3 ASP 11 HB1 ASP 11 -1.074 13.137 -7.535 81 HA PRO 12 HA PRO 12 0.678 16.046 -4.157 82 HB2 PRO 12 HB2 PRO 12 -0.690 17.828 -5.785 83 HB3 PRO 12 HB1 PRO 12 1.063 17.652 -5.703 84 HG2 PRO 12 HG2 PRO 12 -0.865 16.509 -7.675 85 HG3 PRO 12 HG1 PRO 12 0.759 17.167 -7.945 86 HD2 PRO 12 HD2 PRO 12 0.318 14.529 -7.908 87 HD3 PRO 12 HD1 PRO 12 1.801 15.223 -7.218 88 H ASP 13 HN ASP 13 -1.958 14.290 -5.427 89 HA ASP 13 HA ASP 13 -3.692 15.485 -3.392 90 HB2 ASP 13 HB2 ASP 13 -4.495 14.898 -6.243 91 HB3 ASP 13 HB1 ASP 13 -5.631 15.275 -4.951 92 H PHE 14 HN PHE 14 -2.136 12.826 -4.159 93 HA PHE 14 HA PHE 14 -3.863 11.102 -2.682 94 HB2 PHE 14 HB2 PHE 14 -3.525 10.411 -5.609 95 HB3 PHE 14 HB1 PHE 14 -4.334 9.431 -4.396 96 HD1 PHE 14 HD1 PHE 14 -4.554 12.468 -6.439 97 HD2 PHE 14 HD2 PHE 14 -6.566 9.908 -3.699 98 HE1 PHE 14 HE1 PHE 14 -6.685 13.571 -6.980 99 HE2 PHE 14 HE2 PHE 14 -8.703 11.006 -4.236 100 HZ PHE 14 HZ PHE 14 -8.763 12.840 -5.878 101 H LEU 15 HN LEU 15 -3.029 8.830 -2.625 102 HA LEU 15 HA LEU 15 -0.166 8.625 -3.248 103 HB2 LEU 15 HB2 LEU 15 -0.080 9.184 -0.960 104 HB3 LEU 15 HB1 LEU 15 -1.483 8.204 -0.579 105 HG LEU 15 HG LEU 15 0.899 7.391 0.101 106 HD11 LEU 15 HD11 LEU 15 0.026 5.310 0.361 107 HD12 LEU 15 HD12 LEU 15 -0.615 5.251 -1.281 108 HD13 LEU 15 HD13 LEU 15 -1.457 6.177 -0.039 109 HD21 LEU 15 HD21 LEU 15 1.047 5.823 -2.326 110 HD22 LEU 15 HD22 LEU 15 2.308 6.727 -1.488 111 HD23 LEU 15 HD23 LEU 15 1.258 7.545 -2.643 112 H THR 16 HN THR 16 -0.105 6.959 -4.675 113 HA THR 16 HA THR 16 -1.971 4.743 -4.301 114 HB THR 16 HB THR 16 -0.148 5.235 -6.657 115 HG1 THR 16 HG1 THR 16 -1.986 6.842 -6.076 116 HG21 THR 16 HG21 THR 16 -2.277 3.282 -6.004 117 HG22 THR 16 HG22 THR 16 -0.821 3.088 -6.979 118 HG23 THR 16 HG23 THR 16 -2.234 3.901 -7.654 119 H ILE 17 HN ILE 17 -1.314 2.614 -4.217 120 HA ILE 17 HA ILE 17 1.555 2.140 -3.746 121 HB ILE 17 HB ILE 17 -0.573 0.575 -2.316 122 HG12 ILE 17 HG12 ILE 17 0.548 3.276 -1.603 123 HG13 ILE 17 HG11 ILE 17 -1.126 2.730 -1.559 124 HG21 ILE 17 HG21 ILE 17 2.346 1.126 -1.817 125 HG22 ILE 17 HG22 ILE 17 1.605 -0.405 -2.282 126 HG23 ILE 17 HG23 ILE 17 1.294 0.276 -0.685 127 HD11 ILE 17 HD11 ILE 17 -0.839 2.487 0.625 128 HD12 ILE 17 HD12 ILE 17 0.912 2.641 0.491 129 HD13 ILE 17 HD13 ILE 17 0.142 1.073 0.243 130 H ALA 18 HN ALA 18 2.311 0.006 -4.322 131 HA ALA 18 HA ALA 18 0.460 -1.573 -5.958 132 HB1 ALA 18 HB1 ALA 18 1.678 -0.029 -7.457 133 HB2 ALA 18 HB2 ALA 18 1.997 -1.730 -7.798 134 HB3 ALA 18 HB3 ALA 18 3.193 -0.765 -6.933 135 H ILE 19 HN ILE 19 0.522 -3.619 -5.398 136 HA ILE 19 HA ILE 19 3.046 -4.758 -4.387 137 HB ILE 19 HB ILE 19 0.412 -5.874 -3.503 138 HG12 ILE 19 HG12 ILE 19 1.720 -3.853 -1.747 139 HG13 ILE 19 HG11 ILE 19 0.746 -3.253 -3.083 140 HG21 ILE 19 HG21 ILE 19 2.696 -6.937 -3.118 141 HG22 ILE 19 HG22 ILE 19 1.639 -6.764 -1.716 142 HG23 ILE 19 HG23 ILE 19 2.975 -5.638 -1.958 143 HD11 ILE 19 HD11 ILE 19 -0.503 -5.352 -1.450 144 HD12 ILE 19 HD12 ILE 19 -1.185 -3.872 -2.123 145 HD13 ILE 19 HD13 ILE 19 -0.225 -3.809 -0.644 146 H ARG 20 HN ARG 20 3.765 -6.419 -5.594 147 HA ARG 20 HA ARG 20 1.900 -7.623 -7.512 148 HB2 ARG 20 HB2 ARG 20 4.909 -7.874 -7.462 149 HB3 ARG 20 HB1 ARG 20 3.827 -8.289 -8.784 150 HG2 ARG 20 HG2 ARG 20 3.818 -6.205 -9.564 151 HG3 ARG 20 HG1 ARG 20 3.567 -5.515 -7.960 152 HD2 ARG 20 HD2 ARG 20 5.793 -5.229 -7.585 153 HD3 ARG 20 HD1 ARG 20 6.245 -6.638 -8.543 154 HE ARG 20 HE ARG 20 6.163 -3.954 -9.429 155 HH11 ARG 20 HH11 ARG 20 5.457 -7.201 -10.477 156 HH12 ARG 20 HH12 ARG 20 5.725 -6.857 -12.153 157 HH21 ARG 20 HH21 ARG 20 6.521 -3.491 -11.633 158 HH22 ARG 20 HH22 ARG 20 6.332 -4.748 -12.811 159 H VAL 21 HN VAL 21 1.051 -9.521 -7.042 160 HA VAL 21 HA VAL 21 2.701 -11.591 -5.818 161 HB VAL 21 HB VAL 21 1.118 -12.149 -4.094 162 HG11 VAL 21 HG11 VAL 21 2.855 -10.244 -3.836 163 HG12 VAL 21 HG12 VAL 21 1.627 -10.463 -2.590 164 HG13 VAL 21 HG13 VAL 21 1.441 -9.190 -3.796 165 HG21 VAL 21 HG21 VAL 21 -0.960 -11.222 -3.805 166 HG22 VAL 21 HG22 VAL 21 -0.820 -11.151 -5.562 167 HG23 VAL 21 HG23 VAL 21 -0.516 -9.708 -4.594 168 H SER 22 HN SER 22 2.119 -13.655 -6.322 169 HA SER 22 HA SER 22 -0.240 -14.002 -8.052 170 HB2 SER 22 HB2 SER 22 1.272 -15.861 -9.126 171 HB3 SER 22 HB1 SER 22 1.470 -14.179 -9.615 172 HG SER 22 HG SER 22 3.262 -15.811 -8.494 173 H TYR 23 HN TYR 23 1.699 -15.182 -5.454 174 HA TYR 23 HA TYR 23 0.613 -17.823 -5.361 175 HB2 TYR 23 HB2 TYR 23 2.269 -16.174 -3.464 176 HB3 TYR 23 HB1 TYR 23 1.656 -17.761 -3.005 177 HD1 TYR 23 HD1 TYR 23 2.796 -16.816 -6.395 178 HD2 TYR 23 HD2 TYR 23 3.729 -18.908 -2.810 179 HE1 TYR 23 HE1 TYR 23 4.710 -17.868 -7.516 180 HE2 TYR 23 HE2 TYR 23 5.649 -19.968 -3.922 181 HH TYR 23 HH TYR 23 7.114 -18.970 -6.415 182 H ALA 24 HN ALA 24 -0.640 -14.826 -4.571 183 HA ALA 24 HA ALA 24 -1.966 -14.645 -2.346 184 HB1 ALA 24 HB1 ALA 24 -3.941 -13.804 -3.433 185 HB2 ALA 24 HB2 ALA 24 -3.526 -14.649 -4.924 186 HB3 ALA 24 HB3 ALA 24 -2.519 -13.317 -4.354 187 H ARG 25 HN ARG 25 -2.128 -16.502 -1.155 188 HA ARG 25 HA ARG 25 -3.725 -18.733 -2.069 189 HB2 ARG 25 HB2 ARG 25 -1.678 -18.434 -0.213 190 HB3 ARG 25 HB1 ARG 25 -3.099 -18.755 0.769 191 HG2 ARG 25 HG2 ARG 25 -3.042 -20.548 -1.460 192 HG3 ARG 25 HG1 ARG 25 -1.497 -20.596 -0.609 193 HD2 ARG 25 HD2 ARG 25 -2.428 -21.395 1.321 194 HD3 ARG 25 HD1 ARG 25 -3.992 -20.645 1.005 195 HE ARG 25 HE ARG 25 -3.155 -23.271 0.245 196 HH11 ARG 25 HH11 ARG 25 -5.215 -20.604 -0.626 197 HH12 ARG 25 HH12 ARG 25 -6.341 -21.587 -1.500 198 HH21 ARG 25 HH21 ARG 25 -4.632 -24.579 -0.903 199 HH22 ARG 25 HH22 ARG 25 -6.010 -23.848 -1.657 200 H VAL 26 HN VAL 26 -4.710 -15.850 -1.260 201 HA VAL 26 HA VAL 26 -7.018 -16.831 0.292 202 HB VAL 26 HB VAL 26 -7.138 -14.184 0.777 203 HG11 VAL 26 HG11 VAL 26 -6.418 -16.543 2.206 204 HG12 VAL 26 HG12 VAL 26 -7.172 -15.067 2.810 205 HG13 VAL 26 HG13 VAL 26 -5.414 -15.205 2.767 206 HG21 VAL 26 HG21 VAL 26 -4.219 -14.609 1.130 207 HG22 VAL 26 HG22 VAL 26 -5.129 -13.113 0.920 208 HG23 VAL 26 HG23 VAL 26 -4.810 -14.154 -0.467 209 H SER 27 HN SER 27 -8.934 -16.644 -0.669 210 HA SER 27 HA SER 27 -9.247 -15.846 -3.312 211 HB2 SER 27 HB2 SER 27 -11.093 -16.481 -1.072 212 HB3 SER 27 HB1 SER 27 -11.777 -15.605 -2.441 213 HG SER 27 HG SER 27 -11.843 -17.461 -3.399 214 H GLU 28 HN GLU 28 -9.236 -13.961 -0.414 215 HA GLU 28 HA GLU 28 -9.614 -11.547 -2.014 216 HB2 GLU 28 HB2 GLU 28 -11.403 -10.712 -0.860 217 HB3 GLU 28 HB1 GLU 28 -11.761 -12.427 -0.731 218 HG2 GLU 28 HG2 GLU 28 -10.211 -12.027 1.468 219 HG3 GLU 28 HG1 GLU 28 -11.062 -10.488 1.339 220 H PHE 29 HN PHE 29 -8.746 -9.640 -1.058 221 HA PHE 29 HA PHE 29 -6.697 -10.229 0.968 222 HB2 PHE 29 HB2 PHE 29 -6.604 -7.790 -0.761 223 HB3 PHE 29 HB1 PHE 29 -5.280 -8.702 -0.044 224 HD1 PHE 29 HD2 PHE 29 -6.396 -11.438 -0.996 225 HD2 PHE 29 HD1 PHE 29 -5.640 -7.735 -2.952 226 HE1 PHE 29 HE2 PHE 29 -6.070 -12.632 -3.123 227 HE2 PHE 29 HE1 PHE 29 -5.313 -8.921 -5.081 228 HZ PHE 29 HZ PHE 29 -5.528 -11.373 -5.169 229 H ASP 30 HN ASP 30 -6.041 -8.286 2.289 230 HA ASP 30 HA ASP 30 -8.380 -6.654 3.018 231 HB2 ASP 30 HB2 ASP 30 -6.707 -8.429 4.726 232 HB3 ASP 30 HB1 ASP 30 -7.222 -6.895 5.419 233 H VAL 31 HN VAL 31 -7.977 -4.535 3.134 234 HA VAL 31 HA VAL 31 -5.171 -3.665 3.385 235 HB VAL 31 HB VAL 31 -7.223 -2.074 1.875 236 HG11 VAL 31 HG11 VAL 31 -4.233 -2.112 2.081 237 HG12 VAL 31 HG12 VAL 31 -5.347 -0.772 2.343 238 HG13 VAL 31 HG13 VAL 31 -5.045 -1.360 0.709 239 HG21 VAL 31 HG21 VAL 31 -6.619 -3.097 -0.176 240 HG22 VAL 31 HG22 VAL 31 -7.018 -4.405 0.937 241 HG23 VAL 31 HG23 VAL 31 -5.332 -4.029 0.589 242 H TYR 32 HN TYR 32 -4.773 -2.360 5.046 243 HA TYR 32 HA TYR 32 -7.040 -0.919 6.257 244 HB2 TYR 32 HB2 TYR 32 -4.772 -2.409 7.558 245 HB3 TYR 32 HB1 TYR 32 -5.679 -1.173 8.425 246 HD1 TYR 32 HD1 TYR 32 -8.316 -1.480 8.298 247 HD2 TYR 32 HD2 TYR 32 -5.478 -4.598 7.737 248 HE1 TYR 32 HE1 TYR 32 -10.037 -3.140 8.869 249 HE2 TYR 32 HE2 TYR 32 -7.190 -6.268 8.307 250 HH TYR 32 HH TYR 32 -10.011 -5.563 9.827 251 H PHE 33 HN PHE 33 -6.841 1.197 6.076 252 HA PHE 33 HA PHE 33 -4.165 2.392 6.309 253 HB2 PHE 33 HB2 PHE 33 -4.576 3.916 4.545 254 HB3 PHE 33 HB1 PHE 33 -5.071 2.344 3.927 255 HD1 PHE 33 HD1 PHE 33 -6.253 5.596 5.157 256 HD2 PHE 33 HD2 PHE 33 -7.345 1.884 3.385 257 HE1 PHE 33 HE1 PHE 33 -8.465 6.517 4.604 258 HE2 PHE 33 HE2 PHE 33 -9.560 2.798 2.827 259 HZ PHE 33 HZ PHE 33 -10.122 5.117 3.435 260 H GLU 34 HN GLU 34 -4.066 3.695 7.988 261 HA GLU 34 HA GLU 34 -6.374 5.364 8.659 262 HB2 GLU 34 HB2 GLU 34 -5.623 4.767 11.159 263 HB3 GLU 34 HB1 GLU 34 -6.870 3.874 10.299 264 HG2 GLU 34 HG2 GLU 34 -4.122 2.911 9.896 265 HG3 GLU 34 HG1 GLU 34 -4.763 2.738 11.529 266 H GLY 35 HN GLY 35 -5.735 7.414 8.856 267 HA2 GLY 35 HA2 GLY 35 -4.420 9.249 9.260 268 HA3 GLY 35 HA1 GLY 35 -3.570 8.256 10.435 269 H SER 36 HN SER 36 -1.988 6.657 9.442 270 HA SER 36 HA SER 36 -0.864 7.341 6.890 271 HB2 SER 36 HB2 SER 36 1.077 7.719 9.126 272 HB3 SER 36 HB1 SER 36 1.069 8.429 7.512 273 HG SER 36 HG SER 36 0.282 9.570 9.711 274 H ASP 37 HN ASP 37 -1.868 5.036 8.482 275 HA ASP 37 HA ASP 37 0.544 3.352 8.361 276 HB2 ASP 37 HB2 ASP 37 -0.167 3.295 10.605 277 HB3 ASP 37 HB1 ASP 37 -1.869 3.222 10.156 278 H PHE 38 HN PHE 38 0.565 2.239 6.533 279 HA PHE 38 HA PHE 38 -1.973 1.221 5.452 280 HB2 PHE 38 HB2 PHE 38 -0.739 2.590 3.866 281 HB3 PHE 38 HB1 PHE 38 0.711 1.619 4.111 282 HD1 PHE 38 HD1 PHE 38 0.713 -0.776 3.358 283 HD2 PHE 38 HD2 PHE 38 -2.386 1.951 2.317 284 HE1 PHE 38 HE1 PHE 38 0.022 -2.264 1.526 285 HE2 PHE 38 HE2 PHE 38 -3.083 0.466 0.484 286 HZ PHE 38 HZ PHE 38 -1.878 -1.646 0.087 287 H LYS 39 HN LYS 39 -2.387 -0.794 6.059 288 HA LYS 39 HA LYS 39 -0.147 -2.702 6.141 289 HB2 LYS 39 HB2 LYS 39 -2.490 -2.383 7.993 290 HB3 LYS 39 HB1 LYS 39 -1.671 -3.932 7.838 291 HG2 LYS 39 HG2 LYS 39 0.378 -2.090 8.209 292 HG3 LYS 39 HG1 LYS 39 -0.898 -1.579 9.315 293 HD2 LYS 39 HD2 LYS 39 -0.753 -4.383 9.507 294 HD3 LYS 39 HD1 LYS 39 0.911 -3.795 9.531 295 HE2 LYS 39 HE2 LYS 39 -0.785 -2.146 11.178 296 HE3 LYS 39 HE1 LYS 39 -0.909 -3.839 11.653 297 HZ1 LYS 39 HZ1 LYS 39 1.781 -3.327 11.238 298 HZ2 LYS 39 HZ2 LYS 39 1.003 -3.592 12.716 299 HZ3 LYS 39 HZ3 LYS 39 1.193 -2.016 12.132 300 H PHE 40 HN PHE 40 -0.312 -4.408 4.873 301 HA PHE 40 HA PHE 40 -2.898 -4.943 3.578 302 HB2 PHE 40 HB2 PHE 40 -0.960 -4.388 2.092 303 HB3 PHE 40 HB1 PHE 40 -0.147 -5.829 2.689 304 HD1 PHE 40 HD1 PHE 40 -3.473 -4.909 1.261 305 HD2 PHE 40 HD2 PHE 40 -0.244 -7.680 1.354 306 HE1 PHE 40 HE1 PHE 40 -4.581 -6.255 -0.477 307 HE2 PHE 40 HE2 PHE 40 -1.345 -9.029 -0.383 308 HZ PHE 40 HZ PHE 40 -3.517 -8.317 -1.299 309 H TYR 41 HN TYR 41 -3.757 -7.023 3.594 310 HA TYR 41 HA TYR 41 -2.303 -9.035 5.153 311 HB2 TYR 41 HB2 TYR 41 -5.052 -7.955 5.690 312 HB3 TYR 41 HB1 TYR 41 -4.641 -9.606 6.144 313 HD1 TYR 41 HD2 TYR 41 -2.280 -9.760 7.439 314 HD2 TYR 41 HD1 TYR 41 -4.820 -6.349 7.322 315 HE1 TYR 41 HE2 TYR 41 -1.266 -8.943 9.524 316 HE2 TYR 41 HE1 TYR 41 -3.813 -5.520 9.406 317 HH TYR 41 HH TYR 41 -1.392 -5.936 10.575 318 H ALA 42 HN ALA 42 -1.935 -10.479 3.600 319 HA ALA 42 HA ALA 42 -4.221 -11.833 2.426 320 HB1 ALA 42 HB1 ALA 42 -3.821 -11.396 0.240 321 HB2 ALA 42 HB2 ALA 42 -2.075 -11.292 0.471 322 HB3 ALA 42 HB3 ALA 42 -3.104 -9.922 0.891 323 H LYS 43 HN LYS 43 -3.867 -13.886 3.036 324 HA LYS 43 HA LYS 43 -2.746 -15.790 3.656 325 HB2 LYS 43 HB2 LYS 43 -1.811 -16.792 1.828 326 HB3 LYS 43 HB1 LYS 43 -2.495 -15.398 1.014 327 HG2 LYS 43 HG2 LYS 43 -0.366 -14.266 1.051 328 HG3 LYS 43 HG1 LYS 43 0.348 -15.577 1.988 329 HD2 LYS 43 HD2 LYS 43 -0.633 -16.950 -0.118 330 HD3 LYS 43 HD1 LYS 43 -0.248 -15.412 -0.888 331 HE2 LYS 43 HE2 LYS 43 1.655 -16.878 -1.050 332 HE3 LYS 43 HE1 LYS 43 2.032 -15.558 0.058 333 HZ1 LYS 43 HZ1 LYS 43 2.124 -16.943 1.823 334 HZ2 LYS 43 HZ2 LYS 43 2.510 -18.086 0.637 335 HZ3 LYS 43 HZ3 LYS 43 0.930 -17.987 1.232 336 HA PRO 44 HA PRO 44 1.067 -15.659 5.976 337 HB2 PRO 44 HB2 PRO 44 2.701 -16.293 3.545 338 HB3 PRO 44 HB1 PRO 44 2.847 -16.923 5.190 339 HG2 PRO 44 HG2 PRO 44 1.642 -18.320 3.225 340 HG3 PRO 44 HG1 PRO 44 1.120 -18.419 4.917 341 HD2 PRO 44 HD2 PRO 44 -0.227 -17.204 2.619 342 HD3 PRO 44 HD1 PRO 44 -0.897 -17.668 4.192 343 H TYR 45 HN TYR 45 1.054 -14.096 2.830 344 HA TYR 45 HA TYR 45 3.212 -12.338 3.206 345 HB2 TYR 45 HB2 TYR 45 0.746 -12.162 1.482 346 HB3 TYR 45 HB1 TYR 45 1.986 -10.919 1.473 347 HD1 TYR 45 HD1 TYR 45 4.286 -13.042 1.861 348 HD2 TYR 45 HD2 TYR 45 1.038 -12.652 -0.861 349 HE1 TYR 45 HE1 TYR 45 5.552 -14.309 0.174 350 HE2 TYR 45 HE2 TYR 45 2.294 -13.918 -2.552 351 HH TYR 45 HH TYR 45 4.475 -14.573 -3.113 352 H PHE 46 HN PHE 46 3.444 -10.726 4.577 353 HA PHE 46 HA PHE 46 1.055 -9.240 5.449 354 HB2 PHE 46 HB2 PHE 46 1.812 -10.628 7.305 355 HB3 PHE 46 HB1 PHE 46 3.455 -10.018 7.124 356 HD1 PHE 46 HD2 PHE 46 0.575 -7.803 6.762 357 HD2 PHE 46 HD1 PHE 46 3.553 -9.272 9.422 358 HE1 PHE 46 HE2 PHE 46 0.066 -5.978 8.331 359 HE2 PHE 46 HE1 PHE 46 3.050 -7.450 10.998 360 HZ PHE 46 HZ PHE 46 1.303 -5.800 10.453 361 H LEU 47 HN LEU 47 1.156 -7.168 4.814 362 HA LEU 47 HA LEU 47 3.841 -6.007 4.423 363 HB2 LEU 47 HB2 LEU 47 1.655 -6.223 2.625 364 HB3 LEU 47 HB1 LEU 47 1.874 -4.525 2.993 365 HG LEU 47 HG LEU 47 4.007 -6.374 1.923 366 HD11 LEU 47 HD11 LEU 47 2.188 -5.770 0.325 367 HD12 LEU 47 HD12 LEU 47 3.791 -5.205 -0.145 368 HD13 LEU 47 HD13 LEU 47 2.628 -4.077 0.550 369 HD21 LEU 47 HD21 LEU 47 4.101 -3.391 2.340 370 HD22 LEU 47 HD22 LEU 47 5.402 -4.430 1.758 371 HD23 LEU 47 HD23 LEU 47 4.836 -4.574 3.422 372 H ARG 48 HN ARG 48 4.348 -4.550 5.879 373 HA ARG 48 HA ARG 48 2.226 -2.787 6.908 374 HB2 ARG 48 HB2 ARG 48 2.917 -4.140 8.738 375 HB3 ARG 48 HB1 ARG 48 4.614 -3.970 8.315 376 HG2 ARG 48 HG2 ARG 48 3.497 -1.381 8.780 377 HG3 ARG 48 HG1 ARG 48 3.116 -2.443 10.136 378 HD2 ARG 48 HD2 ARG 48 5.889 -2.422 9.043 379 HD3 ARG 48 HD1 ARG 48 5.365 -1.090 10.072 380 HE ARG 48 HE ARG 48 5.907 -3.802 10.876 381 HH11 ARG 48 HH11 ARG 48 4.251 -0.840 11.669 382 HH12 ARG 48 HH12 ARG 48 4.159 -1.194 13.362 383 HH21 ARG 48 HH21 ARG 48 5.788 -4.277 13.101 384 HH22 ARG 48 HH22 ARG 48 5.032 -3.150 14.176 385 H LEU 49 HN LEU 49 2.448 -0.869 5.959 386 HA LEU 49 HA LEU 49 5.166 0.235 5.690 387 HB2 LEU 49 HB2 LEU 49 2.854 0.745 3.821 388 HB3 LEU 49 HB1 LEU 49 4.491 1.347 3.648 389 HG LEU 49 HG LEU 49 3.737 -1.574 3.540 390 HD11 LEU 49 HD11 LEU 49 3.466 0.494 1.573 391 HD12 LEU 49 HD12 LEU 49 3.050 -1.217 1.462 392 HD13 LEU 49 HD13 LEU 49 4.679 -0.677 1.054 393 HD21 LEU 49 HD21 LEU 49 6.218 -0.269 3.893 394 HD22 LEU 49 HD22 LEU 49 6.192 -0.909 2.251 395 HD23 LEU 49 HD23 LEU 49 5.916 -1.985 3.620 396 H THR 50 HN THR 50 5.514 2.164 6.572 397 HA THR 50 HA THR 50 3.217 3.603 7.704 398 HB THR 50 HB THR 50 6.103 4.156 8.361 399 HG1 THR 50 HG1 THR 50 6.140 2.520 9.740 400 HG21 THR 50 HG21 THR 50 5.182 5.017 10.435 401 HG22 THR 50 HG22 THR 50 3.560 4.526 9.943 402 HG23 THR 50 HG23 THR 50 4.404 5.797 9.057 403 H LEU 51 HN LEU 51 2.481 5.108 6.332 404 HA LEU 51 HA LEU 51 4.023 6.334 4.313 405 HB2 LEU 51 HB2 LEU 51 1.439 7.313 5.526 406 HB3 LEU 51 HB1 LEU 51 2.103 7.786 3.972 407 HG LEU 51 HG LEU 51 1.363 4.934 4.590 408 HD11 LEU 51 HD11 LEU 51 -0.798 5.388 4.419 409 HD12 LEU 51 HD12 LEU 51 -0.532 6.206 2.880 410 HD13 LEU 51 HD13 LEU 51 -0.418 7.110 4.390 411 HD21 LEU 51 HD21 LEU 51 2.199 6.481 2.196 412 HD22 LEU 51 HD22 LEU 51 1.041 5.170 1.977 413 HD23 LEU 51 HD23 LEU 51 2.620 4.842 2.689 414 HA PRO 52 HA PRO 52 6.103 9.536 6.521 415 HB2 PRO 52 HB2 PRO 52 6.519 11.281 4.478 416 HB3 PRO 52 HB1 PRO 52 7.429 9.777 4.660 417 HG2 PRO 52 HG2 PRO 52 5.097 10.384 2.891 418 HG3 PRO 52 HG1 PRO 52 6.567 9.460 2.531 419 HD2 PRO 52 HD2 PRO 52 4.192 8.284 3.121 420 HD3 PRO 52 HD1 PRO 52 5.757 7.548 3.519 421 H GLY 53 HN GLY 53 3.210 10.172 4.683 422 HA2 GLY 53 HA2 GLY 53 2.780 12.630 6.270 423 HA3 GLY 53 HA1 GLY 53 2.148 12.397 4.646 424 H ARG 54 HN ARG 54 -0.013 12.467 4.960 425 HA ARG 54 HA ARG 54 -1.159 10.330 6.596 426 HB2 ARG 54 HB2 ARG 54 -2.167 13.175 6.713 427 HB3 ARG 54 HB1 ARG 54 -2.774 11.801 7.627 428 HG2 ARG 54 HG2 ARG 54 -0.557 11.639 8.739 429 HG3 ARG 54 HG1 ARG 54 -0.087 13.126 7.913 430 HD2 ARG 54 HD2 ARG 54 -2.138 14.185 8.964 431 HD3 ARG 54 HD1 ARG 54 -2.250 12.739 9.969 432 HE ARG 54 HE ARG 54 -0.309 14.870 10.185 433 HH11 ARG 54 HH11 ARG 54 -1.126 11.586 11.007 434 HH12 ARG 54 HH12 ARG 54 -0.061 11.526 12.371 435 HH21 ARG 54 HH21 ARG 54 1.097 14.801 11.978 436 HH22 ARG 54 HH22 ARG 54 1.203 13.355 12.924 437 H ILE 55 HN ILE 55 -2.824 9.316 5.647 438 HA ILE 55 HA ILE 55 -3.931 10.527 3.195 439 HB ILE 55 HB ILE 55 -3.692 7.597 3.892 440 HG12 ILE 55 HG12 ILE 55 -1.516 8.553 3.378 441 HG13 ILE 55 HG11 ILE 55 -2.046 7.537 2.042 442 HG21 ILE 55 HG21 ILE 55 -4.920 7.082 2.090 443 HG22 ILE 55 HG22 ILE 55 -4.266 8.410 1.131 444 HG23 ILE 55 HG23 ILE 55 -5.562 8.711 2.288 445 HD11 ILE 55 HD11 ILE 55 -1.012 9.579 1.242 446 HD12 ILE 55 HD12 ILE 55 -2.188 10.541 2.138 447 HD13 ILE 55 HD13 ILE 55 -2.718 9.524 0.798 448 H VAL 56 HN VAL 56 -6.019 11.068 3.264 449 HA VAL 56 HA VAL 56 -7.591 10.626 5.557 450 HB VAL 56 HB VAL 56 -7.866 12.595 4.148 451 HG11 VAL 56 HG11 VAL 56 -7.689 10.978 2.023 452 HG12 VAL 56 HG12 VAL 56 -8.416 12.583 1.957 453 HG13 VAL 56 HG13 VAL 56 -9.441 11.156 2.108 454 HG21 VAL 56 HG21 VAL 56 -9.729 11.716 5.588 455 HG22 VAL 56 HG22 VAL 56 -10.428 11.013 4.129 456 HG23 VAL 56 HG23 VAL 56 -10.233 12.762 4.260 457 H GLU 57 HN GLU 57 -9.759 9.745 5.590 458 HA GLU 57 HA GLU 57 -10.040 7.295 3.976 459 HB2 GLU 57 HB2 GLU 57 -10.657 6.037 5.836 460 HB3 GLU 57 HB1 GLU 57 -9.371 7.049 6.475 461 HG2 GLU 57 HG2 GLU 57 -11.067 8.587 7.383 462 HG3 GLU 57 HG1 GLU 57 -12.328 7.503 6.798 463 H ASN 58 HN ASN 58 -11.926 7.145 2.899 464 HA ASN 58 HA ASN 58 -14.344 8.287 3.976 465 HB2 ASN 58 HB2 ASN 58 -12.751 9.870 2.255 466 HB3 ASN 58 HB1 ASN 58 -14.173 9.380 1.337 467 HD21 ASN 58 HD21 ASN 58 -13.262 10.646 4.518 468 HD22 ASN 58 HD22 ASN 58 -14.621 11.700 4.679 469 H GLY 59 HN GLY 59 -12.968 5.798 2.398 470 HA2 GLY 59 HA2 GLY 59 -13.907 4.002 1.328 471 HA3 GLY 59 HA1 GLY 59 -15.472 4.778 1.512 472 H SER 60 HN SER 60 -13.647 7.043 0.035 473 HA SER 60 HA SER 60 -14.832 6.490 -2.535 474 HB2 SER 60 HB2 SER 60 -13.842 8.806 -1.150 475 HB3 SER 60 HB1 SER 60 -13.078 8.699 -2.737 476 HG SER 60 HG SER 60 -14.927 9.129 -3.653 477 H GLU 61 HN GLU 61 -11.525 7.465 -1.675 478 HA GLU 61 HA GLU 61 -9.585 7.149 -2.918 479 HB2 GLU 61 HB2 GLU 61 -10.133 4.238 -2.526 480 HB3 GLU 61 HB1 GLU 61 -8.647 5.139 -2.259 481 HG2 GLU 61 HG2 GLU 61 -9.114 5.331 -0.111 482 HG3 GLU 61 HG1 GLU 61 -10.643 6.122 -0.484 483 H GLN 62 HN GLN 62 -8.826 4.755 -4.287 484 HA GLN 62 HA GLN 62 -10.533 4.075 -6.402 485 HB2 GLN 62 HB2 GLN 62 -9.240 6.657 -6.660 486 HB3 GLN 62 HB1 GLN 62 -8.794 5.579 -7.976 487 HG2 GLN 62 HG2 GLN 62 -11.655 5.898 -7.187 488 HG3 GLN 62 HG1 GLN 62 -10.871 7.101 -8.209 489 HE21 GLN 62 HE21 GLN 62 -12.692 4.381 -8.250 490 HE22 GLN 62 HE22 GLN 62 -12.311 3.791 -9.827 491 H GLY 63 HN GLY 63 -9.763 2.171 -6.987 492 HA2 GLY 63 HA2 GLY 63 -7.099 1.817 -7.941 493 HA3 GLY 63 HA1 GLY 63 -7.297 1.114 -6.342 494 H SER 64 HN SER 64 -6.629 -0.722 -8.004 495 HA SER 64 HA SER 64 -8.949 -2.378 -8.235 496 HB2 SER 64 HB2 SER 64 -9.493 -1.542 -10.295 497 HB3 SER 64 HB1 SER 64 -7.839 -1.044 -10.650 498 HG SER 64 HG SER 64 -9.102 -3.262 -11.413 499 H TYR 65 HN TYR 65 -8.465 -4.553 -8.575 500 HA TYR 65 HA TYR 65 -5.595 -5.209 -8.440 501 HB2 TYR 65 HB2 TYR 65 -6.450 -5.919 -6.391 502 HB3 TYR 65 HB1 TYR 65 -7.995 -6.392 -7.086 503 HD1 TYR 65 HD2 TYR 65 -4.381 -7.330 -7.195 504 HD2 TYR 65 HD1 TYR 65 -8.421 -8.639 -7.435 505 HE1 TYR 65 HE2 TYR 65 -3.612 -9.665 -7.299 506 HE2 TYR 65 HE1 TYR 65 -7.665 -10.976 -7.538 507 HH TYR 65 HH TYR 65 -4.622 -11.963 -6.717 508 H ASP 66 HN ASP 66 -4.767 -6.571 -9.933 509 HA ASP 66 HA ASP 66 -6.670 -7.949 -11.708 510 HB2 ASP 66 HB2 ASP 66 -4.650 -5.984 -12.363 511 HB3 ASP 66 HB1 ASP 66 -4.353 -7.499 -13.210 512 H ALA 67 HN ALA 67 -6.418 -10.054 -11.842 513 HA ALA 67 HA ALA 67 -4.149 -11.339 -10.586 514 HB1 ALA 67 HB1 ALA 67 -6.821 -12.038 -10.971 515 HB2 ALA 67 HB2 ALA 67 -5.554 -13.035 -10.257 516 HB3 ALA 67 HB3 ALA 67 -5.905 -13.157 -11.981 517 H ASP 68 HN ASP 68 -5.420 -10.792 -13.792 518 HA ASP 68 HA ASP 68 -3.965 -12.594 -15.296 519 HB2 ASP 68 HB2 ASP 68 -5.542 -10.277 -15.787 520 HB3 ASP 68 HB1 ASP 68 -4.062 -10.129 -16.730 521 H LYS 69 HN LYS 69 -3.013 -9.274 -14.401 522 HA LYS 69 HA LYS 69 -0.318 -9.802 -15.397 523 HB2 LYS 69 HB2 LYS 69 -0.211 -7.263 -14.412 524 HB3 LYS 69 HB1 LYS 69 -0.632 -7.675 -16.067 525 HG2 LYS 69 HG2 LYS 69 -3.019 -7.662 -15.418 526 HG3 LYS 69 HG1 LYS 69 -2.542 -7.131 -13.804 527 HD2 LYS 69 HD2 LYS 69 -1.235 -5.354 -15.449 528 HD3 LYS 69 HD1 LYS 69 -2.766 -5.615 -16.288 529 HE2 LYS 69 HE2 LYS 69 -2.968 -5.220 -13.379 530 HE3 LYS 69 HE1 LYS 69 -2.403 -3.822 -14.293 531 HZ1 LYS 69 HZ1 LYS 69 -4.701 -5.189 -15.408 532 HZ2 LYS 69 HZ2 LYS 69 -4.399 -3.533 -15.247 533 HZ3 LYS 69 HZ3 LYS 69 -4.974 -4.420 -13.927 534 H GLY 70 HN GLY 70 -2.022 -10.021 -12.508 535 HA2 GLY 70 HA2 GLY 70 -1.353 -10.457 -10.354 536 HA3 GLY 70 HA1 GLY 70 0.243 -10.789 -11.013 537 H ILE 71 HN ILE 71 -1.858 -7.975 -10.458 538 HA ILE 71 HA ILE 71 0.189 -6.714 -8.844 539 HB ILE 71 HB ILE 71 -0.749 -5.230 -11.292 540 HG12 ILE 71 HG12 ILE 71 1.761 -6.848 -10.853 541 HG13 ILE 71 HG11 ILE 71 0.585 -7.009 -12.154 542 HG21 ILE 71 HG21 ILE 71 0.548 -4.459 -8.901 543 HG22 ILE 71 HG22 ILE 71 0.184 -3.472 -10.318 544 HG23 ILE 71 HG23 ILE 71 1.723 -4.326 -10.210 545 HD11 ILE 71 HD11 ILE 71 1.274 -4.868 -13.062 546 HD12 ILE 71 HD12 ILE 71 2.653 -5.957 -12.906 547 HD13 ILE 71 HD13 ILE 71 2.417 -4.660 -11.735 548 H PHE 72 HN PHE 72 -0.724 -5.616 -7.260 549 HA PHE 72 HA PHE 72 -3.538 -4.799 -7.551 550 HB2 PHE 72 HB2 PHE 72 -3.402 -6.397 -5.801 551 HB3 PHE 72 HB1 PHE 72 -1.942 -5.666 -5.142 552 HD1 PHE 72 HD1 PHE 72 -4.626 -3.478 -6.204 553 HD2 PHE 72 HD2 PHE 72 -3.007 -5.657 -2.927 554 HE1 PHE 72 HE1 PHE 72 -5.998 -2.152 -4.650 555 HE2 PHE 72 HE2 PHE 72 -4.376 -4.335 -1.367 556 HZ PHE 72 HZ PHE 72 -5.875 -2.580 -2.228 557 H THR 73 HN THR 73 -3.775 -2.685 -7.868 558 HA THR 73 HA THR 73 -1.914 -0.851 -6.499 559 HB THR 73 HB THR 73 -3.287 0.084 -8.959 560 HG1 THR 73 HG1 THR 73 -1.765 -0.907 -10.296 561 HG21 THR 73 HG21 THR 73 -1.754 1.694 -8.826 562 HG22 THR 73 HG22 THR 73 -0.439 0.522 -8.749 563 HG23 THR 73 HG23 THR 73 -1.273 1.010 -7.275 564 H ILE 74 HN ILE 74 -2.821 0.536 -5.121 565 HA ILE 74 HA ILE 74 -5.648 1.257 -5.495 566 HB ILE 74 HB ILE 74 -5.805 -0.355 -3.802 567 HG12 ILE 74 HG12 ILE 74 -6.209 0.988 -1.680 568 HG13 ILE 74 HG11 ILE 74 -5.611 2.392 -2.555 569 HG21 ILE 74 HG21 ILE 74 -3.609 -0.842 -3.223 570 HG22 ILE 74 HG22 ILE 74 -4.283 -0.171 -1.738 571 HG23 ILE 74 HG23 ILE 74 -3.255 0.824 -2.768 572 HD11 ILE 74 HD11 ILE 74 -8.217 1.231 -2.559 573 HD12 ILE 74 HD12 ILE 74 -7.559 1.214 -4.195 574 HD13 ILE 74 HD13 ILE 74 -7.662 2.731 -3.301 575 H ARG 75 HN ARG 75 -5.896 3.374 -5.605 576 HA ARG 75 HA ARG 75 -3.821 5.154 -4.583 577 HB2 ARG 75 HB2 ARG 75 -6.275 6.051 -6.065 578 HB3 ARG 75 HB1 ARG 75 -4.692 6.813 -5.993 579 HG2 ARG 75 HG2 ARG 75 -3.781 4.921 -7.315 580 HG3 ARG 75 HG1 ARG 75 -5.426 4.301 -7.479 581 HD2 ARG 75 HD2 ARG 75 -5.469 5.532 -9.356 582 HD3 ARG 75 HD1 ARG 75 -5.749 6.883 -8.259 583 HE ARG 75 HE ARG 75 -3.087 6.830 -8.345 584 HH11 ARG 75 HH11 ARG 75 -5.451 6.637 -10.893 585 HH12 ARG 75 HH12 ARG 75 -4.429 7.384 -12.075 586 HH21 ARG 75 HH21 ARG 75 -1.732 7.817 -9.893 587 HH22 ARG 75 HH22 ARG 75 -2.314 8.055 -11.507 588 H LEU 76 HN LEU 76 -4.187 6.776 -3.089 589 HA LEU 76 HA LEU 76 -6.790 6.745 -1.726 590 HB2 LEU 76 HB2 LEU 76 -4.114 6.732 -0.341 591 HB3 LEU 76 HB1 LEU 76 -5.685 6.737 0.424 592 HG LEU 76 HG LEU 76 -4.822 4.488 -1.367 593 HD11 LEU 76 HD11 LEU 76 -3.213 4.083 0.148 594 HD12 LEU 76 HD12 LEU 76 -4.550 3.472 1.123 595 HD13 LEU 76 HD13 LEU 76 -3.957 5.115 1.370 596 HD21 LEU 76 HD21 LEU 76 -6.773 4.500 0.924 597 HD22 LEU 76 HD22 LEU 76 -6.558 3.266 -0.317 598 HD23 LEU 76 HD23 LEU 76 -7.242 4.834 -0.744 599 HA PRO 77 HA PRO 77 -6.386 11.147 -1.928 600 HB2 PRO 77 HB2 PRO 77 -8.240 11.825 -0.065 601 HB3 PRO 77 HB1 PRO 77 -8.654 11.233 -1.674 602 HG2 PRO 77 HG2 PRO 77 -8.646 9.787 0.934 603 HG3 PRO 77 HG1 PRO 77 -9.775 9.648 -0.422 604 HD2 PRO 77 HD2 PRO 77 -7.754 7.865 0.092 605 HD3 PRO 77 HD1 PRO 77 -8.460 8.134 -1.513 606 H LYS 78 HN LYS 78 -5.723 12.997 -0.688 607 HA LYS 78 HA LYS 78 -4.088 12.250 1.616 608 HB2 LYS 78 HB2 LYS 78 -4.078 14.894 0.171 609 HB3 LYS 78 HB1 LYS 78 -2.833 14.234 1.221 610 HG2 LYS 78 HG2 LYS 78 -3.105 12.353 -0.803 611 HG3 LYS 78 HG1 LYS 78 -3.211 13.915 -1.619 612 HD2 LYS 78 HD2 LYS 78 -1.038 14.340 -1.296 613 HD3 LYS 78 HD1 LYS 78 -1.112 13.838 0.395 614 HE2 LYS 78 HE2 LYS 78 -1.034 11.475 -0.362 615 HE3 LYS 78 HE1 LYS 78 -0.816 12.050 -2.015 616 HZ1 LYS 78 HZ1 LYS 78 1.297 12.768 -1.584 617 HZ2 LYS 78 HZ2 LYS 78 1.227 11.436 -0.543 618 HZ3 LYS 78 HZ3 LYS 78 1.019 12.999 0.069 619 H GLU 79 HN GLU 79 -4.026 13.602 3.494 620 HA GLU 79 HA GLU 79 -6.666 14.546 4.244 621 HB2 GLU 79 HB2 GLU 79 -5.523 13.142 5.834 622 HB3 GLU 79 HB1 GLU 79 -4.106 14.182 5.808 623 HG2 GLU 79 HG2 GLU 79 -5.258 15.920 6.941 624 HG3 GLU 79 HG1 GLU 79 -6.807 15.101 6.750 625 H THR 80 HN THR 80 -3.860 15.843 2.937 626 HA THR 80 HA THR 80 -4.805 18.552 3.434 627 HB THR 80 HB THR 80 -2.024 17.624 4.157 628 HG1 THR 80 HG1 THR 80 -4.045 17.793 5.670 629 HG21 THR 80 HG21 THR 80 -3.055 20.450 3.908 630 HG22 THR 80 HG22 THR 80 -1.853 19.686 2.866 631 HG23 THR 80 HG23 THR 80 -1.487 19.980 4.565 632 HA PRO 81 HA PRO 81 -3.857 18.742 -0.899 633 HB2 PRO 81 HB2 PRO 81 -4.004 21.466 -1.139 634 HB3 PRO 81 HB1 PRO 81 -5.414 20.403 -1.091 635 HG2 PRO 81 HG2 PRO 81 -4.179 22.015 1.109 636 HG3 PRO 81 HG1 PRO 81 -5.893 21.790 0.713 637 HD2 PRO 81 HD2 PRO 81 -4.722 20.442 2.720 638 HD3 PRO 81 HD1 PRO 81 -5.978 19.699 1.709 639 H GLY 82 HN GLY 82 -2.070 19.028 -2.145 640 HA2 GLY 82 HA2 GLY 82 0.022 19.778 -2.790 641 HA3 GLY 82 HA1 GLY 82 -0.004 20.907 -1.444 642 H GLN 83 HN GLN 83 -0.750 17.925 -0.237 643 HA GLN 83 HA GLN 83 1.827 17.660 1.006 644 HB2 GLN 83 HB2 GLN 83 -0.004 17.157 2.404 645 HB3 GLN 83 HB1 GLN 83 -0.756 16.129 1.191 646 HG2 GLN 83 HG2 GLN 83 0.413 14.327 1.811 647 HG3 GLN 83 HG1 GLN 83 1.899 15.246 2.047 648 HE21 GLN 83 HE21 GLN 83 2.453 14.383 3.991 649 HE22 GLN 83 HE22 GLN 83 1.541 14.617 5.440 650 H HIS 84 HN HIS 84 3.479 16.443 0.356 651 HA HIS 84 HA HIS 84 2.952 14.267 -1.551 652 HB2 HIS 84 HB2 HIS 84 3.926 15.697 -3.040 653 HB3 HIS 84 HB1 HIS 84 4.789 16.584 -1.792 654 HD1 HIS 84 HD1 HIS 84 7.029 16.508 -3.019 655 HD2 HIS 84 HD2 HIS 84 5.421 12.751 -2.268 656 HE1 HIS 84 HE1 HIS 84 8.875 14.876 -3.520 657 HE2 HIS 84 HE2 HIS 84 7.860 12.604 -3.119 658 H PHE 85 HN PHE 85 3.612 12.378 -0.815 659 HA PHE 85 HA PHE 85 5.241 12.155 1.529 660 HB2 PHE 85 HB2 PHE 85 4.096 10.093 -0.360 661 HB3 PHE 85 HB1 PHE 85 4.979 9.692 1.100 662 HD1 PHE 85 HD2 PHE 85 3.032 12.641 1.494 663 HD2 PHE 85 HD1 PHE 85 2.816 8.391 1.535 664 HE1 PHE 85 HE2 PHE 85 0.940 12.764 2.776 665 HE2 PHE 85 HE1 PHE 85 0.722 8.508 2.819 666 HZ PHE 85 HZ PHE 85 -0.218 10.698 3.442 667 H GLU 86 HN GLU 86 7.275 12.950 1.045 668 HA GLU 86 HA GLU 86 8.745 12.249 -1.271 669 HB2 GLU 86 HB2 GLU 86 9.117 13.892 1.066 670 HB3 GLU 86 HB1 GLU 86 10.574 12.960 0.747 671 HG2 GLU 86 HG2 GLU 86 9.889 13.883 -1.743 672 HG3 GLU 86 HG1 GLU 86 9.445 15.224 -0.688 673 H GLY 87 HN GLY 87 10.983 11.257 -1.068 674 HA2 GLY 87 HA2 GLY 87 11.994 9.167 -1.010 675 HA3 GLY 87 HA1 GLY 87 12.002 9.553 0.702 676 H LEU 88 HN LEU 88 9.204 8.728 -1.327 677 HA LEU 88 HA LEU 88 8.127 6.959 0.563 678 HB2 LEU 88 HB2 LEU 88 7.562 7.747 -2.185 679 HB3 LEU 88 HB1 LEU 88 7.146 6.076 -1.872 680 HG LEU 88 HG LEU 88 5.980 8.564 -0.684 681 HD11 LEU 88 HD11 LEU 88 4.551 6.062 -1.486 682 HD12 LEU 88 HD12 LEU 88 5.079 7.226 -2.702 683 HD13 LEU 88 HD13 LEU 88 3.958 7.722 -1.434 684 HD21 LEU 88 HD21 LEU 88 4.773 6.865 0.871 685 HD22 LEU 88 HD22 LEU 88 6.357 7.494 1.324 686 HD23 LEU 88 HD23 LEU 88 6.217 5.884 0.615 687 H ASN 89 HN ASN 89 9.643 6.092 -2.590 688 HA ASN 89 HA ASN 89 9.990 3.373 -1.705 689 HB2 ASN 89 HB2 ASN 89 9.641 4.495 -4.155 690 HB3 ASN 89 HB1 ASN 89 11.389 4.279 -4.144 691 HD21 ASN 89 HD21 ASN 89 8.465 2.479 -3.233 692 HD22 ASN 89 HD22 ASN 89 8.982 0.972 -3.901 693 H MET 90 HN MET 90 11.469 5.844 -0.565 694 HA MET 90 HA MET 90 14.180 4.713 -0.730 695 HB2 MET 90 HB2 MET 90 13.192 7.529 -0.562 696 HB3 MET 90 HB1 MET 90 14.708 7.131 0.233 697 HG2 MET 90 HG2 MET 90 15.720 6.497 -1.802 698 HG3 MET 90 HG1 MET 90 14.176 6.504 -2.652 699 HE1 MET 90 HE1 MET 90 15.783 7.557 -4.287 700 HE2 MET 90 HE2 MET 90 17.057 8.547 -3.575 701 HE3 MET 90 HE3 MET 90 15.778 9.304 -4.525 702 H LEU 91 HN LEU 91 11.588 5.921 1.259 703 HA LEU 91 HA LEU 91 12.639 6.114 3.751 704 HB2 LEU 91 HB2 LEU 91 10.495 6.178 4.417 705 HB3 LEU 91 HB1 LEU 91 10.132 6.085 2.703 706 HG LEU 91 HG LEU 91 10.144 3.792 4.663 707 HD11 LEU 91 HD11 LEU 91 7.701 3.773 3.659 708 HD12 LEU 91 HD12 LEU 91 8.048 5.488 3.432 709 HD13 LEU 91 HD13 LEU 91 8.131 4.778 5.043 710 HD21 LEU 91 HD21 LEU 91 9.957 2.301 2.974 711 HD22 LEU 91 HD22 LEU 91 10.878 3.524 2.100 712 HD23 LEU 91 HD23 LEU 91 9.126 3.440 1.914 713 H THR 92 HN THR 92 12.056 4.403 5.588 714 HA THR 92 HA THR 92 12.842 1.714 4.752 715 HB THR 92 HB THR 92 14.975 2.505 5.312 716 HG1 THR 92 HG1 THR 92 15.326 0.964 6.710 717 HG21 THR 92 HG21 THR 92 15.106 4.481 6.337 718 HG22 THR 92 HG22 THR 92 14.918 3.605 7.856 719 HG23 THR 92 HG23 THR 92 13.506 4.295 7.056 720 H ALA 93 HN ALA 93 12.593 0.126 6.527 721 HA ALA 93 HA ALA 93 10.283 0.856 8.188 722 HB1 ALA 93 HB1 ALA 93 11.144 -1.664 6.881 723 HB2 ALA 93 HB2 ALA 93 9.537 -0.951 7.022 724 HB3 ALA 93 HB3 ALA 93 10.256 -1.784 8.400 725 H LEU 94 HN LEU 94 10.244 0.506 10.370 726 HA LEU 94 HA LEU 94 12.836 -0.142 11.603 727 HB2 LEU 94 HB2 LEU 94 11.917 1.050 13.608 728 HB3 LEU 94 HB1 LEU 94 12.200 2.060 12.203 729 HG LEU 94 HG LEU 94 9.605 1.492 11.802 730 HD11 LEU 94 HD11 LEU 94 10.079 1.247 14.755 731 HD12 LEU 94 HD12 LEU 94 9.162 0.180 13.693 732 HD13 LEU 94 HD13 LEU 94 8.532 1.777 14.094 733 HD21 LEU 94 HD21 LEU 94 9.335 3.693 12.134 734 HD22 LEU 94 HD22 LEU 94 11.080 3.691 12.395 735 HD23 LEU 94 HD23 LEU 94 9.982 3.627 13.774 736 H LEU 95 HN LEU 95 12.985 -1.700 13.166 737 HA LEU 95 HA LEU 95 10.693 -3.483 13.372 738 HB2 LEU 95 HB2 LEU 95 13.626 -3.757 13.857 739 HB3 LEU 95 HB1 LEU 95 12.530 -4.872 14.649 740 HG LEU 95 HG LEU 95 11.594 -5.320 12.288 741 HD11 LEU 95 HD11 LEU 95 14.121 -3.828 11.680 742 HD12 LEU 95 HD12 LEU 95 12.515 -3.624 10.980 743 HD13 LEU 95 HD13 LEU 95 13.480 -5.044 10.575 744 HD21 LEU 95 HD21 LEU 95 14.192 -6.476 12.087 745 HD22 LEU 95 HD22 LEU 95 12.680 -7.230 12.592 746 HD23 LEU 95 HD23 LEU 95 13.712 -6.441 13.784 747 H ALA 96 HN ALA 96 9.516 -3.770 15.159 748 HA ALA 96 HA ALA 96 10.443 -2.476 17.639 749 HB1 ALA 96 HB1 ALA 96 7.813 -2.368 16.273 750 HB2 ALA 96 HB2 ALA 96 8.671 -1.124 17.180 751 HB3 ALA 96 HB3 ALA 96 7.819 -2.410 18.035 Start of MODEL 2 1 H MET 1 H MET 1 9.328 -19.317 -1.963 2 HA MET 1 HA MET 1 7.529 -17.279 -0.842 3 HB2 MET 1 HB2 MET 1 7.975 -19.235 0.558 4 HB3 MET 1 HB1 MET 1 9.705 -19.034 0.318 5 HG2 MET 1 HG2 MET 1 9.162 -16.631 1.312 6 HG3 MET 1 HG1 MET 1 7.835 -17.529 2.045 7 HE1 MET 1 HE1 MET 1 8.780 -20.174 2.159 8 HE2 MET 1 HE2 MET 1 9.512 -20.410 3.746 9 HE3 MET 1 HE3 MET 1 10.514 -20.466 2.296 10 H LEU 2 HN LEU 2 8.438 -15.823 -2.531 11 HA LEU 2 HA LEU 2 11.095 -14.831 -1.728 12 HB2 LEU 2 HB2 LEU 2 10.007 -14.243 -4.437 13 HB3 LEU 2 HB1 LEU 2 11.674 -14.392 -3.911 14 HG LEU 2 HG LEU 2 9.768 -16.709 -4.260 15 HD11 LEU 2 HD11 LEU 2 10.217 -15.831 -6.417 16 HD12 LEU 2 HD12 LEU 2 11.264 -17.234 -6.207 17 HD13 LEU 2 HD13 LEU 2 11.926 -15.608 -6.044 18 HD21 LEU 2 HD21 LEU 2 12.748 -16.678 -3.796 19 HD22 LEU 2 HD22 LEU 2 11.722 -18.101 -3.977 20 HD23 LEU 2 HD23 LEU 2 11.535 -17.052 -2.571 21 H THR 3 HN THR 3 11.406 -12.571 -1.689 22 HA THR 3 HA THR 3 9.138 -11.092 -0.816 23 HB THR 3 HB THR 3 11.709 -9.757 -1.581 24 HG1 THR 3 HG1 THR 3 11.493 -11.837 0.152 25 HG21 THR 3 HG21 THR 3 10.782 -8.081 -0.455 26 HG22 THR 3 HG22 THR 3 10.760 -9.079 0.998 27 HG23 THR 3 HG23 THR 3 9.376 -9.082 -0.093 28 HA PRO 4 HA PRO 4 7.711 -10.045 -4.958 29 HB2 PRO 4 HB2 PRO 4 6.041 -8.213 -3.310 30 HB3 PRO 4 HB1 PRO 4 5.556 -9.344 -4.578 31 HG2 PRO 4 HG2 PRO 4 5.116 -9.908 -2.013 32 HG3 PRO 4 HG1 PRO 4 5.612 -11.173 -3.154 33 HD2 PRO 4 HD2 PRO 4 7.218 -9.763 -1.066 34 HD3 PRO 4 HD1 PRO 4 7.290 -11.457 -1.594 35 H ALA 5 HN ALA 5 7.606 -8.102 -6.239 36 HA ALA 5 HA ALA 5 9.535 -6.095 -5.330 37 HB1 ALA 5 HB1 ALA 5 8.909 -7.306 -7.896 38 HB2 ALA 5 HB2 ALA 5 10.376 -6.485 -7.358 39 HB3 ALA 5 HB3 ALA 5 9.016 -5.548 -7.978 40 H PHE 6 HN PHE 6 7.539 -5.406 -3.961 41 HA PHE 6 HA PHE 6 5.430 -4.016 -5.239 42 HB2 PHE 6 HB2 PHE 6 4.757 -3.369 -3.079 43 HB3 PHE 6 HB1 PHE 6 5.512 -4.940 -2.851 44 HD1 PHE 6 HD2 PHE 6 6.146 -1.295 -2.601 45 HD2 PHE 6 HD1 PHE 6 7.282 -5.205 -1.364 46 HE1 PHE 6 HE2 PHE 6 7.659 -0.321 -0.923 47 HE2 PHE 6 HE1 PHE 6 8.796 -4.238 0.316 48 HZ PHE 6 HZ PHE 6 8.987 -1.792 0.539 49 H ASP 7 HN ASP 7 5.023 -1.694 -5.065 50 HA ASP 7 HA ASP 7 7.348 0.028 -4.783 51 HB2 ASP 7 HB2 ASP 7 6.569 -0.884 -7.329 52 HB3 ASP 7 HB1 ASP 7 5.980 0.771 -7.215 53 H LEU 8 HN LEU 8 6.812 2.229 -4.475 54 HA LEU 8 HA LEU 8 3.947 2.685 -3.975 55 HB2 LEU 8 HB2 LEU 8 5.920 4.349 -2.538 56 HB3 LEU 8 HB1 LEU 8 4.387 3.698 -1.993 57 HG LEU 8 HG LEU 8 6.553 1.724 -2.407 58 HD11 LEU 8 HD11 LEU 8 7.874 2.294 -0.624 59 HD12 LEU 8 HD12 LEU 8 6.622 3.281 0.130 60 HD13 LEU 8 HD13 LEU 8 7.494 3.887 -1.278 61 HD21 LEU 8 HD21 LEU 8 4.724 0.710 -1.508 62 HD22 LEU 8 HD22 LEU 8 4.207 2.158 -0.643 63 HD23 LEU 8 HD23 LEU 8 5.541 1.188 -0.019 64 H SER 9 HN SER 9 3.000 4.434 -4.797 65 HA SER 9 HA SER 9 4.621 6.589 -5.936 66 HB2 SER 9 HB2 SER 9 3.192 6.591 -7.987 67 HB3 SER 9 HB1 SER 9 4.176 5.134 -7.841 68 HG SER 9 HG SER 9 2.235 4.313 -8.249 69 H GLN 10 HN GLN 10 3.743 8.577 -5.547 70 HA GLN 10 HA GLN 10 0.962 8.617 -4.590 71 HB2 GLN 10 HB2 GLN 10 1.508 9.884 -2.726 72 HB3 GLN 10 HB1 GLN 10 2.838 8.741 -2.819 73 HG2 GLN 10 HG2 GLN 10 2.830 11.638 -3.601 74 HG3 GLN 10 HG1 GLN 10 3.789 10.845 -2.352 75 HE21 GLN 10 HE21 GLN 10 4.381 12.417 -4.898 76 HE22 GLN 10 HE22 GLN 10 5.563 11.451 -5.709 77 H ASP 11 HN ASP 11 -0.287 10.277 -5.161 78 HA ASP 11 HA ASP 11 0.783 12.186 -7.109 79 HB2 ASP 11 HB2 ASP 11 -1.764 10.793 -6.763 80 HB3 ASP 11 HB1 ASP 11 -1.970 12.520 -7.035 81 HA PRO 12 HA PRO 12 0.468 15.681 -4.461 82 HB2 PRO 12 HB2 PRO 12 -0.904 17.497 -6.003 83 HB3 PRO 12 HB1 PRO 12 0.815 17.130 -6.183 84 HG2 PRO 12 HG2 PRO 12 -1.517 16.095 -7.744 85 HG3 PRO 12 HG1 PRO 12 0.082 16.605 -8.321 86 HD2 PRO 12 HD2 PRO 12 -0.552 14.011 -8.044 87 HD3 PRO 12 HD1 PRO 12 1.083 14.611 -7.692 88 H ASP 13 HN ASP 13 -2.326 14.021 -5.428 89 HA ASP 13 HA ASP 13 -3.846 15.328 -3.291 90 HB2 ASP 13 HB2 ASP 13 -4.825 14.735 -6.082 91 HB3 ASP 13 HB1 ASP 13 -5.924 14.977 -4.728 92 H PHE 14 HN PHE 14 -2.329 12.705 -3.952 93 HA PHE 14 HA PHE 14 -3.955 11.005 -2.358 94 HB2 PHE 14 HB2 PHE 14 -3.624 9.965 -5.162 95 HB3 PHE 14 HB1 PHE 14 -4.639 9.333 -3.876 96 HD1 PHE 14 HD1 PHE 14 -4.279 12.012 -6.370 97 HD2 PHE 14 HD2 PHE 14 -6.838 10.136 -3.535 98 HE1 PHE 14 HE1 PHE 14 -6.197 13.247 -7.291 99 HE2 PHE 14 HE2 PHE 14 -8.762 11.367 -4.449 100 HZ PHE 14 HZ PHE 14 -8.443 12.925 -6.330 101 H LEU 15 HN LEU 15 -3.113 8.736 -2.341 102 HA LEU 15 HA LEU 15 -0.255 8.526 -2.969 103 HB2 LEU 15 HB2 LEU 15 -0.294 9.122 -0.640 104 HB3 LEU 15 HB1 LEU 15 -1.573 7.975 -0.308 105 HG LEU 15 HG LEU 15 1.019 7.524 0.242 106 HD11 LEU 15 HD11 LEU 15 -0.568 6.085 1.132 107 HD12 LEU 15 HD12 LEU 15 0.375 5.042 0.070 108 HD13 LEU 15 HD13 LEU 15 -1.198 5.639 -0.453 109 HD21 LEU 15 HD21 LEU 15 1.212 7.513 -2.424 110 HD22 LEU 15 HD22 LEU 15 0.794 5.820 -2.162 111 HD23 LEU 15 HD23 LEU 15 2.219 6.507 -1.383 112 H THR 16 HN THR 16 -0.256 6.868 -4.441 113 HA THR 16 HA THR 16 -2.141 4.679 -4.028 114 HB THR 16 HB THR 16 -0.380 5.155 -6.433 115 HG1 THR 16 HG1 THR 16 -2.478 6.610 -5.646 116 HG21 THR 16 HG21 THR 16 -2.929 3.899 -6.903 117 HG22 THR 16 HG22 THR 16 -2.008 3.010 -5.689 118 HG23 THR 16 HG23 THR 16 -1.306 3.318 -7.278 119 H ILE 17 HN ILE 17 -1.503 2.568 -3.889 120 HA ILE 17 HA ILE 17 1.376 2.103 -3.462 121 HB ILE 17 HB ILE 17 -0.912 0.689 -2.086 122 HG12 ILE 17 HG12 ILE 17 1.015 2.550 -0.724 123 HG13 ILE 17 HG11 ILE 17 -0.398 3.205 -1.547 124 HG21 ILE 17 HG21 ILE 17 2.051 0.388 -2.032 125 HG22 ILE 17 HG22 ILE 17 0.791 -0.845 -2.014 126 HG23 ILE 17 HG23 ILE 17 1.135 0.086 -0.556 127 HD11 ILE 17 HD11 ILE 17 -0.380 1.247 0.735 128 HD12 ILE 17 HD12 ILE 17 -1.823 1.758 -0.142 129 HD13 ILE 17 HD13 ILE 17 -0.885 2.936 0.776 130 H ALA 18 HN ALA 18 2.184 0.008 -4.110 131 HA ALA 18 HA ALA 18 0.394 -1.456 -5.927 132 HB1 ALA 18 HB1 ALA 18 2.255 0.208 -6.912 133 HB2 ALA 18 HB2 ALA 18 1.725 -1.261 -7.732 134 HB3 ALA 18 HB3 ALA 18 3.208 -1.271 -6.778 135 H ILE 19 HN ILE 19 0.190 -3.446 -5.154 136 HA ILE 19 HA ILE 19 2.604 -4.831 -4.183 137 HB ILE 19 HB ILE 19 -0.184 -5.371 -3.174 138 HG12 ILE 19 HG12 ILE 19 1.933 -3.658 -1.854 139 HG13 ILE 19 HG11 ILE 19 0.486 -3.038 -2.642 140 HG21 ILE 19 HG21 ILE 19 2.563 -6.289 -2.457 141 HG22 ILE 19 HG22 ILE 19 1.082 -7.224 -2.671 142 HG23 ILE 19 HG23 ILE 19 1.305 -6.243 -1.221 143 HD11 ILE 19 HD11 ILE 19 -0.688 -3.320 -0.794 144 HD12 ILE 19 HD12 ILE 19 0.793 -3.809 0.028 145 HD13 ILE 19 HD13 ILE 19 -0.243 -5.025 -0.721 146 H ARG 20 HN ARG 20 3.114 -6.525 -5.446 147 HA ARG 20 HA ARG 20 0.994 -7.733 -7.082 148 HB2 ARG 20 HB2 ARG 20 3.965 -8.148 -7.396 149 HB3 ARG 20 HB1 ARG 20 2.698 -8.499 -8.563 150 HG2 ARG 20 HG2 ARG 20 2.785 -6.446 -9.400 151 HG3 ARG 20 HG1 ARG 20 2.695 -5.711 -7.798 152 HD2 ARG 20 HD2 ARG 20 5.182 -6.450 -7.618 153 HD3 ARG 20 HD1 ARG 20 5.098 -6.532 -9.377 154 HE ARG 20 HE ARG 20 5.219 -4.175 -7.774 155 HH11 ARG 20 HH11 ARG 20 3.984 -5.480 -10.757 156 HH12 ARG 20 HH12 ARG 20 3.946 -3.946 -11.562 157 HH21 ARG 20 HH21 ARG 20 5.170 -2.151 -8.822 158 HH22 ARG 20 HH22 ARG 20 4.621 -2.053 -10.462 159 H VAL 21 HN VAL 21 0.180 -9.622 -6.460 160 HA VAL 21 HA VAL 21 1.922 -11.562 -5.121 161 HB VAL 21 HB VAL 21 0.425 -11.994 -3.340 162 HG11 VAL 21 HG11 VAL 21 0.464 -9.960 -2.108 163 HG12 VAL 21 HG12 VAL 21 0.454 -8.994 -3.583 164 HG13 VAL 21 HG13 VAL 21 1.876 -9.951 -3.166 165 HG21 VAL 21 HG21 VAL 21 -1.677 -11.854 -4.515 166 HG22 VAL 21 HG22 VAL 21 -1.495 -10.111 -4.705 167 HG23 VAL 21 HG23 VAL 21 -1.734 -10.803 -3.101 168 H SER 22 HN SER 22 1.618 -13.603 -5.779 169 HA SER 22 HA SER 22 -0.800 -14.214 -7.346 170 HB2 SER 22 HB2 SER 22 1.120 -16.035 -8.168 171 HB3 SER 22 HB1 SER 22 0.630 -14.586 -9.043 172 HG SER 22 HG SER 22 2.668 -14.593 -7.076 173 H TYR 23 HN TYR 23 1.519 -15.283 -4.968 174 HA TYR 23 HA TYR 23 0.518 -17.930 -4.657 175 HB2 TYR 23 HB2 TYR 23 2.293 -16.168 -2.981 176 HB3 TYR 23 HB1 TYR 23 1.791 -17.762 -2.428 177 HD1 TYR 23 HD1 TYR 23 3.011 -16.376 -5.686 178 HD2 TYR 23 HD2 TYR 23 3.469 -19.318 -2.647 179 HE1 TYR 23 HE1 TYR 23 4.859 -17.388 -6.953 180 HE2 TYR 23 HE2 TYR 23 5.318 -20.339 -3.907 181 HH TYR 23 HH TYR 23 5.888 -19.934 -6.992 182 H ALA 24 HN ALA 24 -0.750 -14.957 -3.841 183 HA ALA 24 HA ALA 24 -1.838 -14.858 -1.436 184 HB1 ALA 24 HB1 ALA 24 -4.117 -14.583 -3.081 185 HB2 ALA 24 HB2 ALA 24 -2.728 -14.012 -4.006 186 HB3 ALA 24 HB3 ALA 24 -3.081 -13.314 -2.426 187 H ARG 25 HN ARG 25 -2.794 -16.171 -0.066 188 HA ARG 25 HA ARG 25 -4.011 -18.641 -1.055 189 HB2 ARG 25 HB2 ARG 25 -2.472 -17.955 1.253 190 HB3 ARG 25 HB1 ARG 25 -4.037 -18.555 1.785 191 HG2 ARG 25 HG2 ARG 25 -3.423 -20.399 -0.085 192 HG3 ARG 25 HG1 ARG 25 -1.810 -19.966 0.487 193 HD2 ARG 25 HD2 ARG 25 -3.391 -20.213 2.785 194 HD3 ARG 25 HD1 ARG 25 -3.834 -21.574 1.755 195 HE ARG 25 HE ARG 25 -1.086 -21.504 1.742 196 HH11 ARG 25 HH11 ARG 25 -3.584 -21.803 4.151 197 HH12 ARG 25 HH12 ARG 25 -2.617 -22.763 5.221 198 HH21 ARG 25 HH21 ARG 25 0.195 -22.770 3.145 199 HH22 ARG 25 HH22 ARG 25 -0.470 -23.311 4.650 200 H VAL 26 HN VAL 26 -5.155 -15.738 -0.819 201 HA VAL 26 HA VAL 26 -7.781 -16.635 0.123 202 HB VAL 26 HB VAL 26 -8.081 -14.285 1.111 203 HG11 VAL 26 HG11 VAL 26 -7.122 -14.981 3.271 204 HG12 VAL 26 HG12 VAL 26 -6.249 -16.274 2.447 205 HG13 VAL 26 HG13 VAL 26 -8.013 -16.282 2.481 206 HG21 VAL 26 HG21 VAL 26 -5.676 -13.755 0.059 207 HG22 VAL 26 HG22 VAL 26 -5.178 -14.259 1.674 208 HG23 VAL 26 HG23 VAL 26 -6.309 -12.920 1.478 209 H SER 27 HN SER 27 -9.482 -15.870 -1.044 210 HA SER 27 HA SER 27 -9.053 -14.901 -3.630 211 HB2 SER 27 HB2 SER 27 -11.078 -16.062 -3.248 212 HB3 SER 27 HB1 SER 27 -11.512 -15.024 -1.889 213 HG SER 27 HG SER 27 -12.370 -13.659 -3.234 214 H GLU 28 HN GLU 28 -9.929 -13.213 -0.651 215 HA GLU 28 HA GLU 28 -9.492 -10.661 -2.058 216 HB2 GLU 28 HB2 GLU 28 -11.820 -10.992 -1.247 217 HB3 GLU 28 HB1 GLU 28 -11.202 -11.134 0.392 218 HG2 GLU 28 HG2 GLU 28 -10.481 -8.875 0.409 219 HG3 GLU 28 HG1 GLU 28 -10.766 -8.706 -1.322 220 H PHE 29 HN PHE 29 -8.146 -9.158 -1.142 221 HA PHE 29 HA PHE 29 -6.403 -10.155 0.973 222 HB2 PHE 29 HB2 PHE 29 -5.988 -7.555 -0.469 223 HB3 PHE 29 HB1 PHE 29 -4.790 -8.635 0.236 224 HD1 PHE 29 HD1 PHE 29 -6.120 -11.159 -1.056 225 HD2 PHE 29 HD2 PHE 29 -4.802 -7.405 -2.565 226 HE1 PHE 29 HE1 PHE 29 -5.736 -12.184 -3.261 227 HE2 PHE 29 HE2 PHE 29 -4.419 -8.422 -4.772 228 HZ PHE 29 HZ PHE 29 -4.886 -10.813 -5.122 229 H ASP 30 HN ASP 30 -5.590 -8.450 2.551 230 HA ASP 30 HA ASP 30 -7.891 -6.889 3.524 231 HB2 ASP 30 HB2 ASP 30 -5.659 -8.184 5.106 232 HB3 ASP 30 HB1 ASP 30 -6.916 -7.161 5.795 233 H VAL 31 HN VAL 31 -7.636 -4.779 3.283 234 HA VAL 31 HA VAL 31 -4.921 -3.654 3.515 235 HB VAL 31 HB VAL 31 -7.134 -2.541 1.788 236 HG11 VAL 31 HG11 VAL 31 -5.747 -0.849 1.242 237 HG12 VAL 31 HG12 VAL 31 -4.307 -1.867 1.306 238 HG13 VAL 31 HG13 VAL 31 -5.003 -1.230 2.796 239 HG21 VAL 31 HG21 VAL 31 -6.436 -3.743 0.015 240 HG22 VAL 31 HG22 VAL 31 -5.849 -4.856 1.249 241 HG23 VAL 31 HG23 VAL 31 -4.745 -3.693 0.513 242 H TYR 32 HN TYR 32 -4.691 -2.342 5.194 243 HA TYR 32 HA TYR 32 -7.022 -0.791 6.106 244 HB2 TYR 32 HB2 TYR 32 -5.031 -2.338 7.759 245 HB3 TYR 32 HB1 TYR 32 -6.026 -1.059 8.444 246 HD1 TYR 32 HD1 TYR 32 -8.426 -1.366 8.726 247 HD2 TYR 32 HD2 TYR 32 -6.003 -4.457 7.091 248 HE1 TYR 32 HE1 TYR 32 -10.248 -2.978 9.088 249 HE2 TYR 32 HE2 TYR 32 -7.817 -6.078 7.445 250 HH TYR 32 HH TYR 32 -9.887 -6.394 8.179 251 H PHE 33 HN PHE 33 -6.679 1.330 6.252 252 HA PHE 33 HA PHE 33 -3.927 2.304 6.581 253 HB2 PHE 33 HB2 PHE 33 -4.195 3.968 4.891 254 HB3 PHE 33 HB1 PHE 33 -4.693 2.438 4.175 255 HD1 PHE 33 HD1 PHE 33 -5.908 5.616 5.593 256 HD2 PHE 33 HD2 PHE 33 -6.898 2.118 3.381 257 HE1 PHE 33 HE1 PHE 33 -8.062 6.626 4.967 258 HE2 PHE 33 HE2 PHE 33 -9.054 3.122 2.751 259 HZ PHE 33 HZ PHE 33 -9.637 5.380 3.544 260 H GLU 34 HN GLU 34 -3.769 3.595 8.279 261 HA GLU 34 HA GLU 34 -6.026 5.331 8.977 262 HB2 GLU 34 HB2 GLU 34 -5.956 4.732 11.297 263 HB3 GLU 34 HB1 GLU 34 -6.131 3.253 10.364 264 HG2 GLU 34 HG2 GLU 34 -3.582 3.066 10.550 265 HG3 GLU 34 HG1 GLU 34 -3.728 4.278 11.824 266 H GLY 35 HN GLY 35 -5.325 7.361 9.107 267 HA2 GLY 35 HA2 GLY 35 -3.977 9.173 9.500 268 HA3 GLY 35 HA1 GLY 35 -3.141 8.178 10.682 269 H SER 36 HN SER 36 -1.591 6.559 9.731 270 HA SER 36 HA SER 36 -0.475 7.137 7.151 271 HB2 SER 36 HB2 SER 36 1.649 7.466 9.137 272 HB3 SER 36 HB1 SER 36 1.294 8.426 7.702 273 HG SER 36 HG SER 36 0.525 8.808 10.330 274 H ASP 37 HN ASP 37 -1.549 4.939 8.785 275 HA ASP 37 HA ASP 37 0.789 3.145 8.779 276 HB2 ASP 37 HB2 ASP 37 -1.692 3.161 10.487 277 HB3 ASP 37 HB1 ASP 37 -0.698 1.718 10.318 278 H PHE 38 HN PHE 38 0.763 2.153 6.849 279 HA PHE 38 HA PHE 38 -1.800 1.100 5.866 280 HB2 PHE 38 HB2 PHE 38 -0.694 2.528 4.249 281 HB3 PHE 38 HB1 PHE 38 0.789 1.583 4.380 282 HD1 PHE 38 HD1 PHE 38 0.782 -0.805 3.590 283 HD2 PHE 38 HD2 PHE 38 -2.416 1.890 2.789 284 HE1 PHE 38 HE1 PHE 38 0.000 -2.276 1.782 285 HE2 PHE 38 HE2 PHE 38 -3.204 0.421 0.979 286 HZ PHE 38 HZ PHE 38 -1.996 -1.665 0.474 287 H LYS 39 HN LYS 39 -2.188 -0.968 6.117 288 HA LYS 39 HA LYS 39 0.079 -2.837 6.228 289 HB2 LYS 39 HB2 LYS 39 -2.409 -3.544 7.670 290 HB3 LYS 39 HB1 LYS 39 -0.735 -3.893 8.079 291 HG2 LYS 39 HG2 LYS 39 -1.019 -1.112 8.299 292 HG3 LYS 39 HG1 LYS 39 -2.452 -1.815 9.050 293 HD2 LYS 39 HD2 LYS 39 -1.099 -3.150 10.515 294 HD3 LYS 39 HD1 LYS 39 0.373 -2.668 9.670 295 HE2 LYS 39 HE2 LYS 39 0.468 -0.659 10.703 296 HE3 LYS 39 HE1 LYS 39 -1.284 -0.468 10.721 297 HZ1 LYS 39 HZ1 LYS 39 -0.375 -0.716 12.951 298 HZ2 LYS 39 HZ2 LYS 39 0.269 -2.226 12.543 299 HZ3 LYS 39 HZ3 LYS 39 -1.407 -2.002 12.572 300 H PHE 40 HN PHE 40 -0.065 -4.622 4.993 301 HA PHE 40 HA PHE 40 -2.620 -5.171 3.641 302 HB2 PHE 40 HB2 PHE 40 -1.179 -4.037 2.048 303 HB3 PHE 40 HB1 PHE 40 0.141 -5.139 2.410 304 HD1 PHE 40 HD1 PHE 40 -3.336 -5.086 1.091 305 HD2 PHE 40 HD2 PHE 40 0.438 -7.050 1.150 306 HE1 PHE 40 HE1 PHE 40 -4.101 -6.601 -0.690 307 HE2 PHE 40 HE2 PHE 40 -0.318 -8.569 -0.631 308 HZ PHE 40 HZ PHE 40 -2.591 -8.345 -1.554 309 H TYR 41 HN TYR 41 -3.285 -7.114 4.324 310 HA TYR 41 HA TYR 41 -1.295 -9.273 4.403 311 HB2 TYR 41 HB2 TYR 41 -3.464 -9.699 6.290 312 HB3 TYR 41 HB1 TYR 41 -1.729 -9.843 6.524 313 HD1 TYR 41 HD1 TYR 41 -4.226 -7.081 6.055 314 HD2 TYR 41 HD2 TYR 41 -0.846 -8.547 8.184 315 HE1 TYR 41 HE1 TYR 41 -4.271 -5.085 7.493 316 HE2 TYR 41 HE2 TYR 41 -0.880 -6.555 9.624 317 HH TYR 41 HH TYR 41 -3.351 -4.035 9.222 318 H ALA 42 HN ALA 42 -1.858 -11.105 3.429 319 HA ALA 42 HA ALA 42 -4.593 -11.304 2.353 320 HB1 ALA 42 HB1 ALA 42 -1.968 -12.402 1.378 321 HB2 ALA 42 HB2 ALA 42 -3.105 -11.355 0.530 322 HB3 ALA 42 HB3 ALA 42 -3.512 -13.046 0.819 323 H LYS 43 HN LYS 43 -1.940 -13.378 3.449 324 HA LYS 43 HA LYS 43 -3.527 -14.669 5.415 325 HB2 LYS 43 HB2 LYS 43 -4.488 -16.157 4.007 326 HB3 LYS 43 HB1 LYS 43 -3.281 -15.927 2.757 327 HG2 LYS 43 HG2 LYS 43 -3.175 -18.188 3.526 328 HG3 LYS 43 HG1 LYS 43 -1.725 -17.348 4.080 329 HD2 LYS 43 HD2 LYS 43 -3.357 -16.908 6.178 330 HD3 LYS 43 HD1 LYS 43 -3.986 -18.460 5.621 331 HE2 LYS 43 HE2 LYS 43 -1.195 -18.697 5.558 332 HE3 LYS 43 HE1 LYS 43 -1.572 -17.879 7.074 333 HZ1 LYS 43 HZ1 LYS 43 -2.762 -19.662 7.848 334 HZ2 LYS 43 HZ2 LYS 43 -1.562 -20.455 6.959 335 HZ3 LYS 43 HZ3 LYS 43 -3.109 -20.264 6.305 336 HA PRO 44 HA PRO 44 0.923 -16.172 5.721 337 HB2 PRO 44 HB2 PRO 44 2.359 -16.861 3.614 338 HB3 PRO 44 HB1 PRO 44 0.951 -17.815 4.072 339 HG2 PRO 44 HG2 PRO 44 1.274 -15.886 1.837 340 HG3 PRO 44 HG1 PRO 44 0.287 -17.355 1.918 341 HD2 PRO 44 HD2 PRO 44 -0.568 -14.668 2.349 342 HD3 PRO 44 HD1 PRO 44 -1.510 -16.153 2.557 343 H TYR 45 HN TYR 45 0.412 -13.598 3.513 344 HA TYR 45 HA TYR 45 3.137 -12.611 3.933 345 HB2 TYR 45 HB2 TYR 45 1.114 -12.130 1.772 346 HB3 TYR 45 HB1 TYR 45 2.444 -11.002 2.019 347 HD1 TYR 45 HD1 TYR 45 4.766 -12.509 2.494 348 HD2 TYR 45 HD2 TYR 45 1.486 -13.529 -0.017 349 HE1 TYR 45 HE1 TYR 45 6.239 -13.970 1.173 350 HE2 TYR 45 HE2 TYR 45 2.950 -14.992 -1.344 351 HH TYR 45 HH TYR 45 5.980 -15.980 -0.318 352 H PHE 46 HN PHE 46 3.549 -10.757 4.980 353 HA PHE 46 HA PHE 46 1.261 -9.102 5.831 354 HB2 PHE 46 HB2 PHE 46 1.880 -10.144 7.816 355 HB3 PHE 46 HB1 PHE 46 3.584 -10.186 7.383 356 HD1 PHE 46 HD2 PHE 46 0.941 -7.608 7.945 357 HD2 PHE 46 HD1 PHE 46 4.959 -8.837 8.619 358 HE1 PHE 46 HE2 PHE 46 1.322 -5.600 9.314 359 HE2 PHE 46 HE1 PHE 46 5.347 -6.831 9.991 360 HZ PHE 46 HZ PHE 46 3.526 -5.209 10.339 361 H LEU 47 HN LEU 47 1.371 -7.103 5.020 362 HA LEU 47 HA LEU 47 4.028 -5.949 4.470 363 HB2 LEU 47 HB2 LEU 47 1.745 -6.251 2.795 364 HB3 LEU 47 HB1 LEU 47 1.996 -4.539 3.071 365 HG LEU 47 HG LEU 47 3.988 -6.481 1.901 366 HD11 LEU 47 HD11 LEU 47 2.561 -4.100 0.723 367 HD12 LEU 47 HD12 LEU 47 2.227 -5.794 0.363 368 HD13 LEU 47 HD13 LEU 47 3.776 -5.085 -0.093 369 HD21 LEU 47 HD21 LEU 47 5.220 -4.948 3.250 370 HD22 LEU 47 HD22 LEU 47 4.277 -3.580 2.658 371 HD23 LEU 47 HD23 LEU 47 5.380 -4.427 1.572 372 H ARG 48 HN ARG 48 4.545 -4.502 5.992 373 HA ARG 48 HA ARG 48 2.421 -2.689 6.937 374 HB2 ARG 48 HB2 ARG 48 3.057 -3.910 8.835 375 HB3 ARG 48 HB1 ARG 48 4.757 -3.908 8.381 376 HG2 ARG 48 HG2 ARG 48 3.856 -1.215 8.723 377 HG3 ARG 48 HG1 ARG 48 3.434 -2.173 10.143 378 HD2 ARG 48 HD2 ARG 48 6.089 -2.828 9.281 379 HD3 ARG 48 HD1 ARG 48 5.940 -1.082 9.478 380 HE ARG 48 HE ARG 48 6.050 -3.015 11.545 381 HH11 ARG 48 HH11 ARG 48 4.522 -0.013 10.666 382 HH12 ARG 48 HH12 ARG 48 4.298 0.504 12.304 383 HH21 ARG 48 HH21 ARG 48 5.761 -2.346 13.706 384 HH22 ARG 48 HH22 ARG 48 5.002 -0.823 14.033 385 H LEU 49 HN LEU 49 2.635 -0.796 5.930 386 HA LEU 49 HA LEU 49 5.345 0.337 5.686 387 HB2 LEU 49 HB2 LEU 49 3.056 0.703 3.753 388 HB3 LEU 49 HB1 LEU 49 4.652 1.415 3.608 389 HG LEU 49 HG LEU 49 4.323 -1.564 3.698 390 HD11 LEU 49 HD11 LEU 49 3.501 0.261 1.559 391 HD12 LEU 49 HD12 LEU 49 3.076 -1.427 1.842 392 HD13 LEU 49 HD13 LEU 49 4.598 -1.022 1.050 393 HD21 LEU 49 HD21 LEU 49 6.503 0.172 3.576 394 HD22 LEU 49 HD22 LEU 49 6.331 -0.474 1.944 395 HD23 LEU 49 HD23 LEU 49 6.510 -1.572 3.312 396 H THR 50 HN THR 50 5.652 2.305 6.511 397 HA THR 50 HA THR 50 3.319 3.733 7.577 398 HB THR 50 HB THR 50 6.230 4.226 8.221 399 HG1 THR 50 HG1 THR 50 5.296 3.180 10.308 400 HG21 THR 50 HG21 THR 50 5.413 6.048 9.211 401 HG22 THR 50 HG22 THR 50 4.607 4.972 10.352 402 HG23 THR 50 HG23 THR 50 3.750 5.540 8.919 403 H LEU 51 HN LEU 51 2.544 5.231 6.236 404 HA LEU 51 HA LEU 51 4.061 6.435 4.162 405 HB2 LEU 51 HB2 LEU 51 1.473 7.477 5.297 406 HB3 LEU 51 HB1 LEU 51 2.105 7.709 3.678 407 HG LEU 51 HG LEU 51 1.243 5.036 4.783 408 HD11 LEU 51 HD11 LEU 51 -0.246 6.894 2.933 409 HD12 LEU 51 HD12 LEU 51 -0.649 6.593 4.624 410 HD13 LEU 51 HD13 LEU 51 -0.762 5.287 3.445 411 HD21 LEU 51 HD21 LEU 51 2.272 4.218 2.995 412 HD22 LEU 51 HD22 LEU 51 2.692 5.839 2.443 413 HD23 LEU 51 HD23 LEU 51 1.148 5.123 1.980 414 HA PRO 52 HA PRO 52 6.282 9.542 6.407 415 HB2 PRO 52 HB2 PRO 52 6.059 10.999 3.821 416 HB3 PRO 52 HB1 PRO 52 7.493 10.627 4.785 417 HG2 PRO 52 HG2 PRO 52 6.975 9.274 2.553 418 HG3 PRO 52 HG1 PRO 52 7.636 8.457 3.981 419 HD2 PRO 52 HD2 PRO 52 4.846 8.450 2.913 420 HD3 PRO 52 HD1 PRO 52 5.767 7.138 3.677 421 H GLY 53 HN GLY 53 3.314 10.142 4.675 422 HA2 GLY 53 HA2 GLY 53 2.912 12.580 6.299 423 HA3 GLY 53 HA1 GLY 53 2.241 12.368 4.690 424 H ARG 54 HN ARG 54 0.095 12.335 4.966 425 HA ARG 54 HA ARG 54 -1.016 10.187 6.584 426 HB2 ARG 54 HB2 ARG 54 -2.248 12.904 6.871 427 HB3 ARG 54 HB1 ARG 54 -2.413 11.499 7.912 428 HG2 ARG 54 HG2 ARG 54 0.144 11.888 8.328 429 HG3 ARG 54 HG1 ARG 54 -0.238 13.525 7.792 430 HD2 ARG 54 HD2 ARG 54 -2.021 13.629 9.500 431 HD3 ARG 54 HD1 ARG 54 -1.542 12.030 10.064 432 HE ARG 54 HE ARG 54 -0.176 14.531 10.541 433 HH11 ARG 54 HH11 ARG 54 0.049 11.057 10.530 434 HH12 ARG 54 HH12 ARG 54 1.370 11.008 11.648 435 HH21 ARG 54 HH21 ARG 54 1.562 14.479 12.020 436 HH22 ARG 54 HH22 ARG 54 2.231 12.954 12.495 437 H ILE 55 HN ILE 55 -2.917 9.367 5.809 438 HA ILE 55 HA ILE 55 -3.993 10.640 3.372 439 HB ILE 55 HB ILE 55 -3.765 7.702 4.036 440 HG12 ILE 55 HG12 ILE 55 -1.694 8.388 3.188 441 HG13 ILE 55 HG11 ILE 55 -2.536 7.786 1.763 442 HG21 ILE 55 HG21 ILE 55 -5.302 7.176 2.507 443 HG22 ILE 55 HG22 ILE 55 -4.711 8.384 1.366 444 HG23 ILE 55 HG23 ILE 55 -5.834 8.851 2.642 445 HD11 ILE 55 HD11 ILE 55 -2.001 10.625 2.554 446 HD12 ILE 55 HD12 ILE 55 -3.210 10.198 1.343 447 HD13 ILE 55 HD13 ILE 55 -1.517 9.776 1.086 448 H VAL 56 HN VAL 56 -6.070 11.249 3.472 449 HA VAL 56 HA VAL 56 -7.597 11.039 5.791 450 HB VAL 56 HB VAL 56 -7.926 12.699 3.936 451 HG11 VAL 56 HG11 VAL 56 -7.929 11.256 2.036 452 HG12 VAL 56 HG12 VAL 56 -9.516 12.020 2.143 453 HG13 VAL 56 HG13 VAL 56 -9.306 10.347 2.661 454 HG21 VAL 56 HG21 VAL 56 -10.338 11.209 4.964 455 HG22 VAL 56 HG22 VAL 56 -10.387 12.805 4.216 456 HG23 VAL 56 HG23 VAL 56 -9.522 12.569 5.735 457 H GLU 57 HN GLU 57 -9.628 9.960 6.163 458 HA GLU 57 HA GLU 57 -9.805 7.342 4.822 459 HB2 GLU 57 HB2 GLU 57 -9.096 6.734 6.939 460 HB3 GLU 57 HB1 GLU 57 -9.918 8.079 7.717 461 HG2 GLU 57 HG2 GLU 57 -11.608 6.017 6.431 462 HG3 GLU 57 HG1 GLU 57 -10.763 5.573 7.914 463 H ASN 58 HN ASN 58 -11.704 6.870 3.910 464 HA ASN 58 HA ASN 58 -14.200 7.792 4.959 465 HB2 ASN 58 HB2 ASN 58 -12.990 9.662 3.409 466 HB3 ASN 58 HB1 ASN 58 -13.894 8.770 2.188 467 HD21 ASN 58 HD21 ASN 58 -14.440 9.918 5.505 468 HD22 ASN 58 HD22 ASN 58 -15.989 10.614 5.189 469 H GLY 59 HN GLY 59 -12.467 6.450 2.178 470 HA2 GLY 59 HA2 GLY 59 -12.987 4.147 1.559 471 HA3 GLY 59 HA1 GLY 59 -14.674 4.510 1.889 472 H SER 60 HN SER 60 -13.469 7.185 0.404 473 HA SER 60 HA SER 60 -14.630 6.383 -2.146 474 HB2 SER 60 HB2 SER 60 -14.037 8.981 -0.807 475 HB3 SER 60 HB1 SER 60 -14.054 8.953 -2.570 476 HG SER 60 HG SER 60 -16.116 9.364 -1.350 477 H GLU 61 HN GLU 61 -12.060 5.326 -1.332 478 HA GLU 61 HA GLU 61 -10.036 6.688 -2.860 479 HB2 GLU 61 HB2 GLU 61 -9.998 3.932 -1.615 480 HB3 GLU 61 HB1 GLU 61 -8.603 4.812 -2.221 481 HG2 GLU 61 HG2 GLU 61 -8.373 5.356 -0.055 482 HG3 GLU 61 HG1 GLU 61 -9.528 6.617 -0.482 483 H GLN 62 HN GLN 62 -8.662 4.692 -4.121 484 HA GLN 62 HA GLN 62 -10.561 3.573 -6.070 485 HB2 GLN 62 HB2 GLN 62 -8.314 5.446 -6.540 486 HB3 GLN 62 HB1 GLN 62 -8.471 4.119 -7.682 487 HG2 GLN 62 HG2 GLN 62 -11.035 5.011 -7.528 488 HG3 GLN 62 HG1 GLN 62 -10.121 6.505 -7.328 489 HE21 GLN 62 HE21 GLN 62 -11.772 5.939 -9.524 490 HE22 GLN 62 HE22 GLN 62 -10.781 5.841 -10.936 491 H GLY 63 HN GLY 63 -10.296 1.452 -6.292 492 HA2 GLY 63 HA2 GLY 63 -7.618 0.326 -5.745 493 HA3 GLY 63 HA1 GLY 63 -9.103 -0.464 -5.235 494 H SER 64 HN SER 64 -6.763 -1.034 -7.202 495 HA SER 64 HA SER 64 -8.475 -2.309 -9.181 496 HB2 SER 64 HB2 SER 64 -8.074 -0.553 -10.591 497 HB3 SER 64 HB1 SER 64 -6.574 -0.103 -9.779 498 HG SER 64 HG SER 64 -5.557 -1.843 -10.810 499 H TYR 65 HN TYR 65 -7.927 -4.354 -8.760 500 HA TYR 65 HA TYR 65 -5.062 -5.046 -8.780 501 HB2 TYR 65 HB2 TYR 65 -5.586 -5.661 -6.634 502 HB3 TYR 65 HB1 TYR 65 -7.286 -5.920 -7.008 503 HD1 TYR 65 HD1 TYR 65 -8.046 -8.066 -7.917 504 HD2 TYR 65 HD2 TYR 65 -3.974 -7.444 -6.848 505 HE1 TYR 65 HE1 TYR 65 -7.667 -10.496 -7.966 506 HE2 TYR 65 HE2 TYR 65 -3.585 -9.871 -6.895 507 HH TYR 65 HH TYR 65 -5.232 -11.972 -8.363 508 H ASP 66 HN ASP 66 -4.402 -6.640 -10.134 509 HA ASP 66 HA ASP 66 -6.488 -8.004 -11.706 510 HB2 ASP 66 HB2 ASP 66 -4.143 -6.452 -12.570 511 HB3 ASP 66 HB1 ASP 66 -4.316 -8.011 -13.367 512 H ALA 67 HN ALA 67 -6.364 -10.152 -11.863 513 HA ALA 67 HA ALA 67 -4.373 -11.551 -10.319 514 HB1 ALA 67 HB1 ALA 67 -6.331 -12.970 -12.070 515 HB2 ALA 67 HB2 ALA 67 -6.905 -12.124 -10.633 516 HB3 ALA 67 HB3 ALA 67 -5.716 -13.416 -10.479 517 H ASP 68 HN ASP 68 -5.273 -11.285 -13.730 518 HA ASP 68 HA ASP 68 -3.439 -13.130 -14.763 519 HB2 ASP 68 HB2 ASP 68 -4.055 -12.351 -16.852 520 HB3 ASP 68 HB1 ASP 68 -5.425 -11.819 -15.884 521 H LYS 69 HN LYS 69 -3.163 -9.590 -14.472 522 HA LYS 69 HA LYS 69 -0.397 -9.614 -15.252 523 HB2 LYS 69 HB2 LYS 69 -2.244 -7.729 -15.479 524 HB3 LYS 69 HB1 LYS 69 -1.641 -7.264 -13.895 525 HG2 LYS 69 HG2 LYS 69 0.514 -6.824 -14.730 526 HG3 LYS 69 HG1 LYS 69 0.176 -7.649 -16.253 527 HD2 LYS 69 HD2 LYS 69 0.169 -5.119 -16.328 528 HD3 LYS 69 HD1 LYS 69 -1.263 -5.920 -16.980 529 HE2 LYS 69 HE2 LYS 69 -2.604 -5.224 -15.265 530 HE3 LYS 69 HE1 LYS 69 -1.274 -5.159 -14.109 531 HZ1 LYS 69 HZ1 LYS 69 -2.200 -3.135 -15.991 532 HZ2 LYS 69 HZ2 LYS 69 -0.531 -3.230 -15.742 533 HZ3 LYS 69 HZ3 LYS 69 -1.565 -2.955 -14.432 534 H GLY 70 HN GLY 70 -2.174 -9.818 -12.294 535 HA2 GLY 70 HA2 GLY 70 -1.483 -10.174 -10.132 536 HA3 GLY 70 HA1 GLY 70 0.110 -10.523 -10.786 537 H ILE 71 HN ILE 71 -1.996 -7.683 -10.369 538 HA ILE 71 HA ILE 71 0.116 -6.352 -8.871 539 HB ILE 71 HB ILE 71 -1.049 -4.766 -11.117 540 HG12 ILE 71 HG12 ILE 71 1.094 -6.853 -11.331 541 HG13 ILE 71 HG11 ILE 71 -0.210 -6.481 -12.453 542 HG21 ILE 71 HG21 ILE 71 1.756 -4.496 -10.259 543 HG22 ILE 71 HG22 ILE 71 0.536 -4.100 -9.050 544 HG23 ILE 71 HG23 ILE 71 0.547 -3.259 -10.600 545 HD11 ILE 71 HD11 ILE 71 1.017 -4.274 -12.851 546 HD12 ILE 71 HD12 ILE 71 1.717 -5.745 -13.527 547 HD13 ILE 71 HD13 ILE 71 2.387 -5.048 -12.053 548 H PHE 72 HN PHE 72 -0.714 -5.257 -7.234 549 HA PHE 72 HA PHE 72 -3.562 -4.522 -7.347 550 HB2 PHE 72 HB2 PHE 72 -3.249 -6.102 -5.600 551 HB3 PHE 72 HB1 PHE 72 -1.785 -5.302 -5.039 552 HD1 PHE 72 HD2 PHE 72 -5.029 -3.721 -5.889 553 HD2 PHE 72 HD1 PHE 72 -2.305 -4.837 -2.816 554 HE1 PHE 72 HE2 PHE 72 -6.354 -2.446 -4.256 555 HE2 PHE 72 HE1 PHE 72 -3.626 -3.566 -1.177 556 HZ PHE 72 HZ PHE 72 -5.654 -2.367 -1.895 557 H THR 73 HN THR 73 -3.746 -2.429 -7.857 558 HA THR 73 HA THR 73 -1.920 -0.520 -6.556 559 HB THR 73 HB THR 73 -3.189 0.800 -8.687 560 HG1 THR 73 HG1 THR 73 -3.567 -0.811 -10.030 561 HG21 THR 73 HG21 THR 73 -0.593 0.038 -9.484 562 HG22 THR 73 HG22 THR 73 -0.559 0.226 -7.731 563 HG23 THR 73 HG23 THR 73 -1.103 1.559 -8.749 564 H ILE 74 HN ILE 74 -2.833 0.709 -5.043 565 HA ILE 74 HA ILE 74 -5.678 1.404 -5.349 566 HB ILE 74 HB ILE 74 -5.528 -0.331 -3.661 567 HG12 ILE 74 HG12 ILE 74 -6.032 1.514 -1.635 568 HG13 ILE 74 HG11 ILE 74 -6.416 2.387 -3.115 569 HG21 ILE 74 HG21 ILE 74 -3.173 0.015 -3.053 570 HG22 ILE 74 HG22 ILE 74 -4.220 -0.059 -1.636 571 HG23 ILE 74 HG23 ILE 74 -3.620 1.498 -2.209 572 HD11 ILE 74 HD11 ILE 74 -8.051 0.626 -1.744 573 HD12 ILE 74 HD12 ILE 74 -7.510 -0.281 -3.157 574 HD13 ILE 74 HD13 ILE 74 -8.314 1.275 -3.362 575 H ARG 75 HN ARG 75 -5.923 3.521 -5.496 576 HA ARG 75 HA ARG 75 -3.876 5.335 -4.533 577 HB2 ARG 75 HB2 ARG 75 -6.372 6.476 -5.595 578 HB3 ARG 75 HB1 ARG 75 -4.704 6.809 -6.041 579 HG2 ARG 75 HG2 ARG 75 -4.718 4.608 -7.272 580 HG3 ARG 75 HG1 ARG 75 -6.460 4.568 -7.002 581 HD2 ARG 75 HD2 ARG 75 -5.518 5.539 -9.221 582 HD3 ARG 75 HD1 ARG 75 -6.856 6.350 -8.408 583 HE ARG 75 HE ARG 75 -4.200 7.312 -7.747 584 HH11 ARG 75 HH11 ARG 75 -7.044 7.672 -9.724 585 HH12 ARG 75 HH12 ARG 75 -6.723 9.329 -10.112 586 HH21 ARG 75 HH21 ARG 75 -3.767 9.495 -8.251 587 HH22 ARG 75 HH22 ARG 75 -4.861 10.366 -9.273 588 H LEU 76 HN LEU 76 -4.130 6.839 -2.900 589 HA LEU 76 HA LEU 76 -6.592 6.610 -1.304 590 HB2 LEU 76 HB2 LEU 76 -3.889 7.001 -0.063 591 HB3 LEU 76 HB1 LEU 76 -5.375 6.470 0.695 592 HG LEU 76 HG LEU 76 -3.927 4.806 -1.352 593 HD11 LEU 76 HD11 LEU 76 -2.820 5.475 1.037 594 HD12 LEU 76 HD12 LEU 76 -2.522 3.963 0.180 595 HD13 LEU 76 HD13 LEU 76 -3.725 4.024 1.467 596 HD21 LEU 76 HD21 LEU 76 -6.084 4.251 0.676 597 HD22 LEU 76 HD22 LEU 76 -5.209 2.989 -0.193 598 HD23 LEU 76 HD23 LEU 76 -6.199 4.148 -1.081 599 HA PRO 77 HA PRO 77 -6.685 11.033 -1.711 600 HB2 PRO 77 HB2 PRO 77 -8.491 11.521 0.275 601 HB3 PRO 77 HB1 PRO 77 -8.940 10.917 -1.322 602 HG2 PRO 77 HG2 PRO 77 -8.551 9.403 1.233 603 HG3 PRO 77 HG1 PRO 77 -9.835 9.240 0.021 604 HD2 PRO 77 HD2 PRO 77 -7.761 7.531 0.123 605 HD3 PRO 77 HD1 PRO 77 -8.494 8.021 -1.419 606 H LYS 78 HN LYS 78 -5.961 12.899 -0.607 607 HA LYS 78 HA LYS 78 -4.237 12.301 1.675 608 HB2 LYS 78 HB2 LYS 78 -4.357 14.768 -0.066 609 HB3 LYS 78 HB1 LYS 78 -3.150 14.430 1.167 610 HG2 LYS 78 HG2 LYS 78 -3.081 12.214 -0.505 611 HG3 LYS 78 HG1 LYS 78 -3.254 13.596 -1.590 612 HD2 LYS 78 HD2 LYS 78 -1.173 14.314 -1.179 613 HD3 LYS 78 HD1 LYS 78 -1.332 14.046 0.558 614 HE2 LYS 78 HE2 LYS 78 -0.532 11.904 0.440 615 HE3 LYS 78 HE1 LYS 78 -1.079 11.676 -1.220 616 HZ1 LYS 78 HZ1 LYS 78 0.824 13.694 -1.269 617 HZ2 LYS 78 HZ2 LYS 78 0.973 12.122 -1.876 618 HZ3 LYS 78 HZ3 LYS 78 1.463 12.468 -0.294 619 H GLU 79 HN GLU 79 -4.201 13.594 3.532 620 HA GLU 79 HA GLU 79 -6.798 14.622 4.297 621 HB2 GLU 79 HB2 GLU 79 -5.573 13.212 5.867 622 HB3 GLU 79 HB1 GLU 79 -4.216 14.327 5.843 623 HG2 GLU 79 HG2 GLU 79 -5.460 15.999 6.973 624 HG3 GLU 79 HG1 GLU 79 -6.964 15.102 6.775 625 H THR 80 HN THR 80 -3.926 15.821 2.988 626 HA THR 80 HA THR 80 -4.830 18.563 3.355 627 HB THR 80 HB THR 80 -2.047 17.648 4.112 628 HG1 THR 80 HG1 THR 80 -4.027 19.020 5.640 629 HG21 THR 80 HG21 THR 80 -2.309 19.852 2.782 630 HG22 THR 80 HG22 THR 80 -1.362 19.861 4.270 631 HG23 THR 80 HG23 THR 80 -3.014 20.476 4.273 632 HA PRO 81 HA PRO 81 -3.960 18.086 -1.052 633 HB2 PRO 81 HB2 PRO 81 -4.504 21.011 -0.847 634 HB3 PRO 81 HB1 PRO 81 -5.150 19.823 -1.986 635 HG2 PRO 81 HG2 PRO 81 -6.638 20.726 0.033 636 HG3 PRO 81 HG1 PRO 81 -6.717 19.029 -0.476 637 HD2 PRO 81 HD2 PRO 81 -5.405 20.235 1.913 638 HD3 PRO 81 HD1 PRO 81 -6.193 18.654 1.732 639 H GLY 82 HN GLY 82 -2.238 18.623 -2.378 640 HA2 GLY 82 HA2 GLY 82 -0.255 19.647 -3.021 641 HA3 GLY 82 HA1 GLY 82 -0.379 20.705 -1.624 642 H GLN 83 HN GLN 83 -0.823 17.705 -0.421 643 HA GLN 83 HA GLN 83 1.841 17.609 0.663 644 HB2 GLN 83 HB2 GLN 83 0.347 16.980 2.285 645 HB3 GLN 83 HB1 GLN 83 -0.731 16.192 1.143 646 HG2 GLN 83 HG2 GLN 83 0.167 14.494 2.504 647 HG3 GLN 83 HG1 GLN 83 0.984 14.366 0.947 648 HE21 GLN 83 HE21 GLN 83 1.351 15.959 4.096 649 HE22 GLN 83 HE22 GLN 83 3.060 15.730 4.205 650 H HIS 84 HN HIS 84 3.491 16.337 0.065 651 HA HIS 84 HA HIS 84 2.966 14.215 -1.909 652 HB2 HIS 84 HB2 HIS 84 3.938 16.070 -3.105 653 HB3 HIS 84 HB1 HIS 84 5.209 16.242 -1.901 654 HD1 HIS 84 HD1 HIS 84 6.576 13.698 -1.690 655 HD2 HIS 84 HD2 HIS 84 4.945 14.917 -5.313 656 HE1 HIS 84 HE1 HIS 84 7.786 12.374 -3.451 657 HE2 HIS 84 HE2 HIS 84 6.809 13.154 -5.639 658 H PHE 85 HN PHE 85 3.566 12.284 -1.176 659 HA PHE 85 HA PHE 85 5.212 12.013 1.158 660 HB2 PHE 85 HB2 PHE 85 3.990 9.978 -0.715 661 HB3 PHE 85 HB1 PHE 85 4.892 9.562 0.733 662 HD1 PHE 85 HD1 PHE 85 3.198 12.518 1.417 663 HD2 PHE 85 HD2 PHE 85 2.541 8.340 0.940 664 HE1 PHE 85 HE1 PHE 85 1.136 12.693 2.749 665 HE2 PHE 85 HE2 PHE 85 0.478 8.508 2.268 666 HZ PHE 85 HZ PHE 85 -0.228 10.687 3.175 667 H GLU 86 HN GLU 86 7.236 12.808 0.600 668 HA GLU 86 HA GLU 86 8.644 11.957 -1.725 669 HB2 GLU 86 HB2 GLU 86 9.192 13.677 0.613 670 HB3 GLU 86 HB1 GLU 86 10.600 12.952 -0.150 671 HG2 GLU 86 HG2 GLU 86 8.929 13.984 -2.196 672 HG3 GLU 86 HG1 GLU 86 9.117 15.225 -0.957 673 H GLY 87 HN GLY 87 10.967 11.150 -1.421 674 HA2 GLY 87 HA2 GLY 87 12.104 9.133 -1.211 675 HA3 GLY 87 HA1 GLY 87 12.080 9.652 0.464 676 H LEU 88 HN LEU 88 9.291 8.520 -1.418 677 HA LEU 88 HA LEU 88 8.421 6.791 0.614 678 HB2 LEU 88 HB2 LEU 88 7.785 7.091 -2.282 679 HB3 LEU 88 HB1 LEU 88 7.140 5.722 -1.403 680 HG LEU 88 HG LEU 88 6.710 8.578 -0.547 681 HD11 LEU 88 HD11 LEU 88 5.724 8.278 -2.740 682 HD12 LEU 88 HD12 LEU 88 4.461 8.353 -1.511 683 HD13 LEU 88 HD13 LEU 88 4.926 6.800 -2.203 684 HD21 LEU 88 HD21 LEU 88 6.498 6.557 1.055 685 HD22 LEU 88 HD22 LEU 88 5.022 6.211 0.154 686 HD23 LEU 88 HD23 LEU 88 5.197 7.747 1.000 687 H ASN 89 HN ASN 89 9.729 5.815 -2.600 688 HA ASN 89 HA ASN 89 10.363 3.201 -1.536 689 HB2 ASN 89 HB2 ASN 89 9.664 4.134 -4.047 690 HB3 ASN 89 HB1 ASN 89 11.388 3.812 -4.204 691 HD21 ASN 89 HD21 ASN 89 8.747 2.228 -2.441 692 HD22 ASN 89 HD22 ASN 89 9.017 0.657 -3.109 693 H MET 90 HN MET 90 11.764 6.003 -1.086 694 HA MET 90 HA MET 90 14.516 4.994 -1.371 695 HB2 MET 90 HB2 MET 90 13.389 7.785 -1.443 696 HB3 MET 90 HB1 MET 90 15.076 7.506 -1.035 697 HG2 MET 90 HG2 MET 90 15.633 6.878 -3.146 698 HG3 MET 90 HG1 MET 90 14.029 6.243 -3.502 699 HE1 MET 90 HE1 MET 90 16.502 8.315 -4.264 700 HE2 MET 90 HE2 MET 90 16.047 10.016 -4.169 701 HE3 MET 90 HE3 MET 90 15.722 9.097 -5.639 702 H LEU 91 HN LEU 91 12.274 4.777 0.715 703 HA LEU 91 HA LEU 91 13.582 5.937 3.051 704 HB2 LEU 91 HB2 LEU 91 10.875 5.233 2.283 705 HB3 LEU 91 HB1 LEU 91 11.297 4.514 3.829 706 HG LEU 91 HG LEU 91 11.232 7.435 3.102 707 HD11 LEU 91 HD11 LEU 91 9.293 5.780 4.094 708 HD12 LEU 91 HD12 LEU 91 9.339 7.533 4.283 709 HD13 LEU 91 HD13 LEU 91 9.970 6.492 5.559 710 HD21 LEU 91 HD21 LEU 91 11.898 7.618 5.623 711 HD22 LEU 91 HD22 LEU 91 13.140 7.445 4.383 712 HD23 LEU 91 HD23 LEU 91 12.641 6.046 5.334 713 H THR 92 HN THR 92 13.319 4.334 5.067 714 HA THR 92 HA THR 92 14.516 1.785 4.211 715 HB THR 92 HB THR 92 16.141 2.950 5.480 716 HG1 THR 92 HG1 THR 92 15.878 1.690 7.649 717 HG21 THR 92 HG21 THR 92 13.819 3.778 7.111 718 HG22 THR 92 HG22 THR 92 15.264 4.680 6.652 719 HG23 THR 92 HG23 THR 92 15.334 3.515 7.974 720 H ALA 93 HN ALA 93 14.239 0.052 6.030 721 HA ALA 93 HA ALA 93 11.362 -0.135 6.504 722 HB1 ALA 93 HB1 ALA 93 12.221 -2.552 7.234 723 HB2 ALA 93 HB2 ALA 93 13.551 -2.096 6.167 724 HB3 ALA 93 HB3 ALA 93 11.896 -2.120 5.555 725 H LEU 94 HN LEU 94 10.591 0.454 8.411 726 HA LEU 94 HA LEU 94 12.323 0.250 10.776 727 HB2 LEU 94 HB2 LEU 94 9.919 1.599 11.408 728 HB3 LEU 94 HB1 LEU 94 11.542 2.254 11.328 729 HG LEU 94 HG LEU 94 9.713 2.054 8.939 730 HD11 LEU 94 HD11 LEU 94 9.662 3.887 11.161 731 HD12 LEU 94 HD12 LEU 94 8.570 3.761 9.783 732 HD13 LEU 94 HD13 LEU 94 10.038 4.730 9.657 733 HD21 LEU 94 HD21 LEU 94 12.012 3.931 9.220 734 HD22 LEU 94 HD22 LEU 94 11.300 3.230 7.767 735 HD23 LEU 94 HD23 LEU 94 12.323 2.244 8.811 736 H LEU 95 HN LEU 95 12.040 -1.557 11.899 737 HA LEU 95 HA LEU 95 9.454 -2.902 11.847 738 HB2 LEU 95 HB2 LEU 95 12.242 -3.688 12.409 739 HB3 LEU 95 HB1 LEU 95 11.016 -4.508 13.358 740 HG LEU 95 HG LEU 95 9.883 -5.152 11.223 741 HD11 LEU 95 HD11 LEU 95 12.404 -4.503 9.777 742 HD12 LEU 95 HD12 LEU 95 11.192 -3.240 10.001 743 HD13 LEU 95 HD13 LEU 95 10.770 -4.728 9.153 744 HD21 LEU 95 HD21 LEU 95 12.043 -6.623 10.546 745 HD22 LEU 95 HD22 LEU 95 10.998 -6.978 11.922 746 HD23 LEU 95 HD23 LEU 95 12.506 -6.096 12.164 747 H ALA 96 HN ALA 96 8.209 -3.316 13.630 748 HA ALA 96 HA ALA 96 7.421 -3.177 15.770 749 HB1 ALA 96 HB1 ALA 96 9.007 -3.572 17.269 750 HB2 ALA 96 HB2 ALA 96 9.437 -1.861 17.237 751 HB3 ALA 96 HB3 ALA 96 10.245 -2.993 16.154 Start of MODEL 3 1 H MET 1 H MET 1 11.965 -17.749 -0.141 2 HA MET 1 HA MET 1 10.744 -18.197 -2.738 3 HB2 MET 1 HB2 MET 1 8.790 -16.810 -1.830 4 HB3 MET 1 HB1 MET 1 8.831 -18.514 -1.402 5 HG2 MET 1 HG2 MET 1 8.310 -17.552 0.607 6 HG3 MET 1 HG1 MET 1 10.065 -17.672 0.725 7 HE1 MET 1 HE1 MET 1 9.273 -16.258 2.707 8 HE2 MET 1 HE2 MET 1 9.185 -14.497 2.673 9 HE3 MET 1 HE3 MET 1 10.730 -15.308 2.417 10 H LEU 2 HN LEU 2 10.514 -16.191 -3.852 11 HA LEU 2 HA LEU 2 12.382 -14.155 -2.881 12 HB2 LEU 2 HB2 LEU 2 11.579 -13.509 -5.485 13 HB3 LEU 2 HB1 LEU 2 13.115 -14.181 -4.977 14 HG LEU 2 HG LEU 2 11.899 -16.475 -5.164 15 HD11 LEU 2 HD11 LEU 2 10.204 -16.401 -7.026 16 HD12 LEU 2 HD12 LEU 2 10.108 -14.661 -6.759 17 HD13 LEU 2 HD13 LEU 2 9.658 -15.777 -5.470 18 HD21 LEU 2 HD21 LEU 2 12.415 -16.508 -7.628 19 HD22 LEU 2 HD22 LEU 2 13.725 -15.950 -6.586 20 HD23 LEU 2 HD23 LEU 2 12.765 -14.784 -7.499 21 H THR 3 HN THR 3 11.460 -12.563 -1.766 22 HA THR 3 HA THR 3 8.850 -11.850 -1.539 23 HB THR 3 HB THR 3 10.271 -9.387 -1.604 24 HG1 THR 3 HG1 THR 3 12.191 -10.693 -1.605 25 HG21 THR 3 HG21 THR 3 10.191 -9.886 0.980 26 HG22 THR 3 HG22 THR 3 9.149 -11.212 0.463 27 HG23 THR 3 HG23 THR 3 8.718 -9.548 0.072 28 HA PRO 4 HA PRO 4 7.515 -10.165 -5.393 29 HB2 PRO 4 HB2 PRO 4 5.668 -8.355 -4.545 30 HB3 PRO 4 HB1 PRO 4 5.387 -10.099 -4.538 31 HG2 PRO 4 HG2 PRO 4 6.195 -8.302 -2.286 32 HG3 PRO 4 HG1 PRO 4 5.014 -9.627 -2.294 33 HD2 PRO 4 HD2 PRO 4 7.514 -9.918 -1.305 34 HD3 PRO 4 HD1 PRO 4 6.644 -11.248 -2.094 35 H ALA 5 HN ALA 5 7.192 -8.022 -6.517 36 HA ALA 5 HA ALA 5 9.249 -6.131 -5.592 37 HB1 ALA 5 HB1 ALA 5 10.065 -5.973 -7.667 38 HB2 ALA 5 HB2 ALA 5 8.460 -5.902 -8.395 39 HB3 ALA 5 HB3 ALA 5 9.170 -7.461 -7.977 40 H PHE 6 HN PHE 6 7.128 -5.526 -4.301 41 HA PHE 6 HA PHE 6 5.088 -4.098 -5.582 42 HB2 PHE 6 HB2 PHE 6 4.576 -3.203 -3.371 43 HB3 PHE 6 HB1 PHE 6 4.923 -4.923 -3.272 44 HD1 PHE 6 HD2 PHE 6 7.077 -5.692 -2.334 45 HD2 PHE 6 HD1 PHE 6 5.909 -1.599 -2.246 46 HE1 PHE 6 HE2 PHE 6 8.767 -5.252 -0.599 47 HE2 PHE 6 HE1 PHE 6 7.597 -1.153 -0.510 48 HZ PHE 6 HZ PHE 6 9.028 -2.979 0.314 49 H ASP 7 HN ASP 7 4.694 -1.763 -5.474 50 HA ASP 7 HA ASP 7 7.078 -0.086 -5.322 51 HB2 ASP 7 HB2 ASP 7 6.444 -1.008 -7.752 52 HB3 ASP 7 HB1 ASP 7 5.343 0.365 -7.697 53 H LEU 8 HN LEU 8 6.662 2.041 -4.793 54 HA LEU 8 HA LEU 8 3.843 2.665 -4.218 55 HB2 LEU 8 HB2 LEU 8 6.048 4.025 -2.754 56 HB3 LEU 8 HB1 LEU 8 4.417 3.664 -2.227 57 HG LEU 8 HG LEU 8 6.559 1.568 -2.566 58 HD11 LEU 8 HD11 LEU 8 5.948 3.403 -0.330 59 HD12 LEU 8 HD12 LEU 8 7.468 2.637 -0.790 60 HD13 LEU 8 HD13 LEU 8 6.244 1.713 0.079 61 HD21 LEU 8 HD21 LEU 8 4.936 0.389 -0.947 62 HD22 LEU 8 HD22 LEU 8 4.504 0.484 -2.655 63 HD23 LEU 8 HD23 LEU 8 3.761 1.586 -1.495 64 H SER 9 HN SER 9 3.002 4.504 -4.946 65 HA SER 9 HA SER 9 4.750 6.607 -5.984 66 HB2 SER 9 HB2 SER 9 4.146 5.197 -7.927 67 HB3 SER 9 HB1 SER 9 2.438 5.420 -7.549 68 HG SER 9 HG SER 9 2.745 7.666 -7.894 69 H GLN 10 HN GLN 10 4.013 8.616 -5.464 70 HA GLN 10 HA GLN 10 1.234 8.795 -4.536 71 HB2 GLN 10 HB2 GLN 10 1.789 9.731 -2.532 72 HB3 GLN 10 HB1 GLN 10 3.186 8.694 -2.765 73 HG2 GLN 10 HG2 GLN 10 3.189 11.573 -3.613 74 HG3 GLN 10 HG1 GLN 10 3.596 11.075 -1.974 75 HE21 GLN 10 HE21 GLN 10 5.684 11.950 -2.304 76 HE22 GLN 10 HE22 GLN 10 6.878 11.084 -3.202 77 H ASP 11 HN ASP 11 0.125 10.583 -4.958 78 HA ASP 11 HA ASP 11 1.398 12.607 -6.666 79 HB2 ASP 11 HB2 ASP 11 -1.285 11.324 -6.654 80 HB3 ASP 11 HB1 ASP 11 -1.233 13.034 -7.064 81 HA PRO 12 HA PRO 12 0.713 15.755 -3.673 82 HB2 PRO 12 HB2 PRO 12 -0.602 17.473 -5.673 83 HB3 PRO 12 HB1 PRO 12 0.896 17.729 -4.777 84 HG2 PRO 12 HG2 PRO 12 0.909 17.150 -7.397 85 HG3 PRO 12 HG1 PRO 12 2.173 16.560 -6.301 86 HD2 PRO 12 HD2 PRO 12 -0.183 15.106 -7.438 87 HD3 PRO 12 HD1 PRO 12 1.479 14.534 -7.184 88 H ASP 13 HN ASP 13 -1.905 14.178 -5.061 89 HA ASP 13 HA ASP 13 -3.702 15.414 -3.114 90 HB2 ASP 13 HB2 ASP 13 -4.497 14.749 -5.954 91 HB3 ASP 13 HB1 ASP 13 -5.560 15.375 -4.699 92 H PHE 14 HN PHE 14 -2.175 12.709 -3.961 93 HA PHE 14 HA PHE 14 -3.953 11.006 -2.508 94 HB2 PHE 14 HB2 PHE 14 -3.560 10.237 -5.399 95 HB3 PHE 14 HB1 PHE 14 -4.588 9.455 -4.207 96 HD1 PHE 14 HD1 PHE 14 -4.225 12.336 -6.435 97 HD2 PHE 14 HD2 PHE 14 -6.752 10.298 -3.689 98 HE1 PHE 14 HE1 PHE 14 -6.131 13.694 -7.195 99 HE2 PHE 14 HE2 PHE 14 -8.668 11.656 -4.438 100 HZ PHE 14 HZ PHE 14 -8.357 13.354 -6.195 101 H LEU 15 HN LEU 15 -3.207 8.739 -2.461 102 HA LEU 15 HA LEU 15 -0.362 8.387 -3.093 103 HB2 LEU 15 HB2 LEU 15 -0.313 8.929 -0.769 104 HB3 LEU 15 HB1 LEU 15 -1.696 7.908 -0.430 105 HG LEU 15 HG LEU 15 0.631 7.078 0.272 106 HD11 LEU 15 HD11 LEU 15 -0.442 4.900 -1.314 107 HD12 LEU 15 HD12 LEU 15 -1.696 5.776 -0.437 108 HD13 LEU 15 HD13 LEU 15 -0.331 5.078 0.436 109 HD21 LEU 15 HD21 LEU 15 1.452 7.648 -2.152 110 HD22 LEU 15 HD22 LEU 15 0.840 6.033 -2.511 111 HD23 LEU 15 HD23 LEU 15 2.095 6.250 -1.289 112 H THR 16 HN THR 16 -0.342 6.708 -4.499 113 HA THR 16 HA THR 16 -2.300 4.562 -4.076 114 HB THR 16 HB THR 16 -0.826 5.400 -6.576 115 HG1 THR 16 HG1 THR 16 -2.583 6.533 -6.867 116 HG21 THR 16 HG21 THR 16 -0.950 3.075 -6.776 117 HG22 THR 16 HG22 THR 16 -2.385 3.655 -7.623 118 HG23 THR 16 HG23 THR 16 -2.527 3.001 -5.991 119 H ILE 17 HN ILE 17 -1.658 2.521 -3.754 120 HA ILE 17 HA ILE 17 1.240 2.018 -3.658 121 HB ILE 17 HB ILE 17 -0.950 0.552 -2.187 122 HG12 ILE 17 HG12 ILE 17 0.577 3.010 -1.567 123 HG13 ILE 17 HG11 ILE 17 -0.993 2.481 -0.973 124 HG21 ILE 17 HG21 ILE 17 1.104 -0.748 -2.683 125 HG22 ILE 17 HG22 ILE 17 0.815 -0.518 -0.959 126 HG23 ILE 17 HG23 ILE 17 2.036 0.451 -1.785 127 HD11 ILE 17 HD11 ILE 17 0.005 1.125 0.694 128 HD12 ILE 17 HD12 ILE 17 0.811 2.693 0.748 129 HD13 ILE 17 HD13 ILE 17 1.608 1.317 -0.016 130 H ALA 18 HN ALA 18 2.022 -0.037 -4.388 131 HA ALA 18 HA ALA 18 0.159 -1.587 -6.037 132 HB1 ALA 18 HB1 ALA 18 1.746 0.248 -7.225 133 HB2 ALA 18 HB2 ALA 18 1.185 -1.232 -8.004 134 HB3 ALA 18 HB3 ALA 18 2.791 -1.171 -7.277 135 H ILE 19 HN ILE 19 0.292 -3.638 -5.497 136 HA ILE 19 HA ILE 19 2.900 -4.743 -4.674 137 HB ILE 19 HB ILE 19 0.435 -6.017 -3.630 138 HG12 ILE 19 HG12 ILE 19 1.537 -3.493 -2.379 139 HG13 ILE 19 HG11 ILE 19 0.062 -3.549 -3.340 140 HG21 ILE 19 HG21 ILE 19 3.080 -5.372 -2.339 141 HG22 ILE 19 HG22 ILE 19 2.708 -6.872 -3.190 142 HG23 ILE 19 HG23 ILE 19 1.833 -6.453 -1.717 143 HD11 ILE 19 HD11 ILE 19 0.589 -4.575 -0.604 144 HD12 ILE 19 HD12 ILE 19 -0.600 -5.407 -1.605 145 HD13 ILE 19 HD13 ILE 19 -0.801 -3.694 -1.238 146 H ARG 20 HN ARG 20 3.560 -6.489 -5.808 147 HA ARG 20 HA ARG 20 1.599 -7.732 -7.618 148 HB2 ARG 20 HB2 ARG 20 3.431 -6.718 -8.806 149 HB3 ARG 20 HB1 ARG 20 4.607 -7.539 -7.787 150 HG2 ARG 20 HG2 ARG 20 2.969 -9.531 -8.932 151 HG3 ARG 20 HG1 ARG 20 3.422 -8.416 -10.221 152 HD2 ARG 20 HD2 ARG 20 5.804 -8.645 -9.117 153 HD3 ARG 20 HD1 ARG 20 5.135 -10.166 -8.525 154 HE ARG 20 HE ARG 20 5.119 -10.984 -10.691 155 HH11 ARG 20 HH11 ARG 20 5.982 -7.609 -10.662 156 HH12 ARG 20 HH12 ARG 20 6.522 -7.600 -12.308 157 HH21 ARG 20 HH21 ARG 20 5.830 -10.984 -12.857 158 HH22 ARG 20 HH22 ARG 20 6.437 -9.520 -13.556 159 H VAL 21 HN VAL 21 0.889 -9.652 -7.092 160 HA VAL 21 HA VAL 21 2.709 -11.637 -5.950 161 HB VAL 21 HB VAL 21 1.071 -12.298 -4.231 162 HG11 VAL 21 HG11 VAL 21 1.814 -10.791 -2.673 163 HG12 VAL 21 HG12 VAL 21 1.562 -9.405 -3.733 164 HG13 VAL 21 HG13 VAL 21 2.945 -10.470 -3.987 165 HG21 VAL 21 HG21 VAL 21 -0.934 -11.408 -5.348 166 HG22 VAL 21 HG22 VAL 21 -0.383 -9.769 -5.001 167 HG23 VAL 21 HG23 VAL 21 -0.801 -10.857 -3.678 168 H SER 22 HN SER 22 2.454 -13.571 -6.868 169 HA SER 22 HA SER 22 0.040 -14.034 -8.480 170 HB2 SER 22 HB2 SER 22 2.881 -14.609 -8.870 171 HB3 SER 22 HB1 SER 22 1.853 -16.012 -9.169 172 HG SER 22 HG SER 22 0.609 -14.634 -10.572 173 H TYR 23 HN TYR 23 2.114 -15.414 -6.014 174 HA TYR 23 HA TYR 23 0.860 -17.938 -5.827 175 HB2 TYR 23 HB2 TYR 23 2.546 -16.339 -3.906 176 HB3 TYR 23 HB1 TYR 23 1.916 -17.933 -3.496 177 HD1 TYR 23 HD1 TYR 23 4.040 -16.131 -5.952 178 HD2 TYR 23 HD2 TYR 23 3.023 -19.877 -4.211 179 HE1 TYR 23 HE1 TYR 23 5.954 -17.173 -7.091 180 HE2 TYR 23 HE2 TYR 23 4.935 -20.930 -5.344 181 HH TYR 23 HH TYR 23 6.744 -20.596 -6.599 182 H ALA 24 HN ALA 24 -0.263 -14.886 -5.067 183 HA ALA 24 HA ALA 24 -1.577 -14.652 -2.836 184 HB1 ALA 24 HB1 ALA 24 -2.056 -13.614 -5.272 185 HB2 ALA 24 HB2 ALA 24 -3.079 -13.327 -3.864 186 HB3 ALA 24 HB3 ALA 24 -3.525 -14.562 -5.042 187 H ARG 25 HN ARG 25 -2.539 -15.907 -1.462 188 HA ARG 25 HA ARG 25 -3.886 -18.332 -2.401 189 HB2 ARG 25 HB2 ARG 25 -2.067 -18.199 -0.513 190 HB3 ARG 25 HB1 ARG 25 -3.430 -17.716 0.490 191 HG2 ARG 25 HG2 ARG 25 -4.221 -19.983 -1.000 192 HG3 ARG 25 HG1 ARG 25 -2.635 -20.318 -0.301 193 HD2 ARG 25 HD2 ARG 25 -4.431 -19.001 1.571 194 HD3 ARG 25 HD1 ARG 25 -5.072 -20.537 0.985 195 HE ARG 25 HE ARG 25 -2.433 -20.992 1.684 196 HH11 ARG 25 HH11 ARG 25 -5.374 -19.987 3.255 197 HH12 ARG 25 HH12 ARG 25 -4.938 -20.663 4.790 198 HH21 ARG 25 HH21 ARG 25 -1.850 -21.890 3.695 199 HH22 ARG 25 HH22 ARG 25 -2.933 -21.749 5.040 200 H VAL 26 HN VAL 26 -4.451 -16.101 0.319 201 HA VAL 26 HA VAL 26 -7.089 -16.573 0.762 202 HB VAL 26 HB VAL 26 -7.269 -14.098 1.373 203 HG11 VAL 26 HG11 VAL 26 -6.164 -16.237 2.680 204 HG12 VAL 26 HG12 VAL 26 -6.542 -14.676 3.406 205 HG13 VAL 26 HG13 VAL 26 -4.909 -15.006 2.825 206 HG21 VAL 26 HG21 VAL 26 -5.418 -13.500 -0.288 207 HG22 VAL 26 HG22 VAL 26 -4.300 -14.073 0.949 208 HG23 VAL 26 HG23 VAL 26 -5.377 -12.720 1.294 209 H SER 27 HN SER 27 -8.905 -16.418 -0.399 210 HA SER 27 HA SER 27 -8.930 -15.615 -3.082 211 HB2 SER 27 HB2 SER 27 -10.692 -16.919 -1.378 212 HB3 SER 27 HB1 SER 27 -11.551 -15.441 -1.813 213 HG SER 27 HG SER 27 -11.482 -17.547 -3.240 214 H GLU 28 HN GLU 28 -9.173 -13.799 -0.199 215 HA GLU 28 HA GLU 28 -9.670 -11.373 -1.770 216 HB2 GLU 28 HB2 GLU 28 -11.168 -10.484 -0.081 217 HB3 GLU 28 HB1 GLU 28 -11.792 -12.016 -0.678 218 HG2 GLU 28 HG2 GLU 28 -12.093 -12.384 1.523 219 HG3 GLU 28 HG1 GLU 28 -10.419 -12.926 1.414 220 H PHE 29 HN PHE 29 -8.673 -9.499 -0.969 221 HA PHE 29 HA PHE 29 -6.544 -10.041 0.980 222 HB2 PHE 29 HB2 PHE 29 -6.561 -7.572 -0.697 223 HB3 PHE 29 HB1 PHE 29 -5.198 -8.521 -0.114 224 HD1 PHE 29 HD2 PHE 29 -6.006 -11.221 -1.063 225 HD2 PHE 29 HD1 PHE 29 -6.149 -7.425 -2.981 226 HE1 PHE 29 HE2 PHE 29 -5.835 -12.326 -3.256 227 HE2 PHE 29 HE1 PHE 29 -5.977 -8.521 -5.176 228 HZ PHE 29 HZ PHE 29 -5.819 -10.976 -5.316 229 H ASP 30 HN ASP 30 -5.881 -8.118 2.322 230 HA ASP 30 HA ASP 30 -8.252 -6.592 3.176 231 HB2 ASP 30 HB2 ASP 30 -6.943 -8.551 4.657 232 HB3 ASP 30 HB1 ASP 30 -6.315 -7.038 5.301 233 H VAL 31 HN VAL 31 -8.009 -4.464 3.222 234 HA VAL 31 HA VAL 31 -5.274 -3.354 3.271 235 HB VAL 31 HB VAL 31 -7.652 -2.359 1.692 236 HG11 VAL 31 HG11 VAL 31 -6.765 -0.328 1.919 237 HG12 VAL 31 HG12 VAL 31 -5.424 -0.904 0.929 238 HG13 VAL 31 HG13 VAL 31 -5.313 -0.969 2.688 239 HG21 VAL 31 HG21 VAL 31 -5.071 -2.885 0.379 240 HG22 VAL 31 HG22 VAL 31 -6.713 -3.239 -0.158 241 HG23 VAL 31 HG23 VAL 31 -5.913 -4.308 0.993 242 H TYR 32 HN TYR 32 -4.920 -2.115 4.994 243 HA TYR 32 HA TYR 32 -7.186 -0.636 6.156 244 HB2 TYR 32 HB2 TYR 32 -5.236 -2.461 7.463 245 HB3 TYR 32 HB1 TYR 32 -5.701 -1.012 8.348 246 HD1 TYR 32 HD2 TYR 32 -6.890 -4.195 6.954 247 HD2 TYR 32 HD1 TYR 32 -7.932 -0.753 9.228 248 HE1 TYR 32 HE2 TYR 32 -8.948 -5.317 7.698 249 HE2 TYR 32 HE1 TYR 32 -9.992 -1.865 9.979 250 HH TYR 32 HH TYR 32 -10.755 -5.189 8.982 251 H PHE 33 HN PHE 33 -6.866 1.479 6.214 252 HA PHE 33 HA PHE 33 -4.131 2.500 6.519 253 HB2 PHE 33 HB2 PHE 33 -4.619 4.270 4.855 254 HB3 PHE 33 HB1 PHE 33 -4.638 2.657 4.149 255 HD1 PHE 33 HD2 PHE 33 -6.893 1.539 3.801 256 HD2 PHE 33 HD1 PHE 33 -6.454 5.686 4.648 257 HE1 PHE 33 HE2 PHE 33 -9.150 1.955 2.913 258 HE2 PHE 33 HE1 PHE 33 -8.709 6.109 3.762 259 HZ PHE 33 HZ PHE 33 -10.061 4.243 2.893 260 H GLU 34 HN GLU 34 -3.967 3.947 8.102 261 HA GLU 34 HA GLU 34 -6.290 5.599 8.791 262 HB2 GLU 34 HB2 GLU 34 -5.220 5.061 11.265 263 HB3 GLU 34 HB1 GLU 34 -6.673 4.328 10.601 264 HG2 GLU 34 HG2 GLU 34 -5.682 2.333 10.261 265 HG3 GLU 34 HG1 GLU 34 -4.121 3.051 9.863 266 H GLY 35 HN GLY 35 -5.673 7.689 8.784 267 HA2 GLY 35 HA2 GLY 35 -4.403 9.565 9.064 268 HA3 GLY 35 HA1 GLY 35 -3.500 8.664 10.272 269 H SER 36 HN SER 36 -1.944 7.002 9.284 270 HA SER 36 HA SER 36 -0.887 7.594 6.690 271 HB2 SER 36 HB2 SER 36 1.093 8.114 8.863 272 HB3 SER 36 HB1 SER 36 1.051 8.731 7.213 273 HG SER 36 HG SER 36 0.082 10.425 7.960 274 H ASP 37 HN ASP 37 -1.824 5.364 8.400 275 HA ASP 37 HA ASP 37 0.601 3.693 8.317 276 HB2 ASP 37 HB2 ASP 37 -1.864 3.334 10.037 277 HB3 ASP 37 HB1 ASP 37 -0.452 2.281 10.032 278 H PHE 38 HN PHE 38 0.541 2.675 6.407 279 HA PHE 38 HA PHE 38 -2.001 1.593 5.437 280 HB2 PHE 38 HB2 PHE 38 -0.723 2.928 3.835 281 HB3 PHE 38 HB1 PHE 38 0.673 1.876 4.048 282 HD1 PHE 38 HD1 PHE 38 0.603 -0.454 3.215 283 HD2 PHE 38 HD2 PHE 38 -2.521 2.325 2.412 284 HE1 PHE 38 HE1 PHE 38 -0.217 -1.904 1.405 285 HE2 PHE 38 HE2 PHE 38 -3.346 0.880 0.600 286 HZ PHE 38 HZ PHE 38 -2.194 -1.239 0.096 287 H LYS 39 HN LYS 39 -2.451 -0.409 6.085 288 HA LYS 39 HA LYS 39 -0.232 -2.335 6.248 289 HB2 LYS 39 HB2 LYS 39 -2.793 -2.329 7.854 290 HB3 LYS 39 HB1 LYS 39 -1.496 -3.511 7.983 291 HG2 LYS 39 HG2 LYS 39 0.029 -1.681 8.681 292 HG3 LYS 39 HG1 LYS 39 -1.354 -0.585 8.679 293 HD2 LYS 39 HD2 LYS 39 -2.213 -1.454 10.587 294 HD3 LYS 39 HD1 LYS 39 -1.682 -3.093 10.204 295 HE2 LYS 39 HE2 LYS 39 0.664 -2.331 10.716 296 HE3 LYS 39 HE1 LYS 39 -0.038 -0.836 11.332 297 HZ1 LYS 39 HZ1 LYS 39 -1.467 -2.495 12.726 298 HZ2 LYS 39 HZ2 LYS 39 0.092 -2.074 13.229 299 HZ3 LYS 39 HZ3 LYS 39 -0.173 -3.546 12.443 300 H PHE 40 HN PHE 40 -0.272 -3.791 4.730 301 HA PHE 40 HA PHE 40 -2.826 -4.513 3.456 302 HB2 PHE 40 HB2 PHE 40 -1.152 -3.715 1.895 303 HB3 PHE 40 HB1 PHE 40 0.027 -4.860 2.518 304 HD1 PHE 40 HD2 PHE 40 -3.529 -5.228 1.452 305 HD2 PHE 40 HD1 PHE 40 0.524 -6.403 0.890 306 HE1 PHE 40 HE2 PHE 40 -4.241 -6.864 -0.243 307 HE2 PHE 40 HE1 PHE 40 -0.182 -8.041 -0.809 308 HZ PHE 40 HZ PHE 40 -2.567 -8.271 -1.376 309 H TYR 41 HN TYR 41 -3.492 -6.664 3.331 310 HA TYR 41 HA TYR 41 -1.817 -8.651 4.683 311 HB2 TYR 41 HB2 TYR 41 -4.746 -8.211 5.296 312 HB3 TYR 41 HB1 TYR 41 -3.734 -9.489 5.960 313 HD1 TYR 41 HD1 TYR 41 -1.295 -8.125 6.724 314 HD2 TYR 41 HD2 TYR 41 -5.327 -6.800 7.027 315 HE1 TYR 41 HE1 TYR 41 -0.667 -6.657 8.595 316 HE2 TYR 41 HE2 TYR 41 -4.709 -5.328 8.897 317 HH TYR 41 HH TYR 41 -2.641 -5.447 10.728 318 H ALA 42 HN ALA 42 -1.482 -10.183 3.226 319 HA ALA 42 HA ALA 42 -3.781 -11.367 1.874 320 HB1 ALA 42 HB1 ALA 42 -2.168 -9.599 0.496 321 HB2 ALA 42 HB2 ALA 42 -3.229 -10.813 -0.217 322 HB3 ALA 42 HB3 ALA 42 -1.525 -11.179 0.052 323 H LYS 43 HN LYS 43 -3.640 -13.357 2.770 324 HA LYS 43 HA LYS 43 -2.717 -15.307 3.546 325 HB2 LYS 43 HB2 LYS 43 -1.769 -16.582 1.794 326 HB3 LYS 43 HB1 LYS 43 -2.795 -15.413 0.993 327 HG2 LYS 43 HG2 LYS 43 -1.054 -14.251 0.099 328 HG3 LYS 43 HG1 LYS 43 0.061 -14.727 1.374 329 HD2 LYS 43 HD2 LYS 43 -0.617 -17.115 0.156 330 HD3 LYS 43 HD1 LYS 43 -0.462 -15.975 -1.183 331 HE2 LYS 43 HE2 LYS 43 1.739 -15.272 -0.121 332 HE3 LYS 43 HE1 LYS 43 1.588 -16.708 0.889 333 HZ1 LYS 43 HZ1 LYS 43 1.673 -18.097 -1.006 334 HZ2 LYS 43 HZ2 LYS 43 2.940 -16.990 -1.173 335 HZ3 LYS 43 HZ3 LYS 43 1.521 -16.794 -2.072 336 HA PRO 44 HA PRO 44 1.361 -15.438 5.442 337 HB2 PRO 44 HB2 PRO 44 2.813 -16.090 2.902 338 HB3 PRO 44 HB1 PRO 44 3.071 -16.721 4.535 339 HG2 PRO 44 HG2 PRO 44 1.724 -18.149 2.743 340 HG3 PRO 44 HG1 PRO 44 1.207 -18.103 4.439 341 HD2 PRO 44 HD2 PRO 44 -0.002 -16.826 2.059 342 HD3 PRO 44 HD1 PRO 44 -0.778 -17.366 3.558 343 H TYR 45 HN TYR 45 1.097 -13.731 2.419 344 HA TYR 45 HA TYR 45 3.361 -12.046 2.772 345 HB2 TYR 45 HB2 TYR 45 0.912 -11.667 1.042 346 HB3 TYR 45 HB1 TYR 45 2.402 -10.742 0.919 347 HD1 TYR 45 HD1 TYR 45 3.975 -13.499 1.592 348 HD2 TYR 45 HD2 TYR 45 1.224 -12.203 -1.383 349 HE1 TYR 45 HE1 TYR 45 4.872 -15.180 0.037 350 HE2 TYR 45 HE2 TYR 45 2.114 -13.880 -2.945 351 HH TYR 45 HH TYR 45 4.864 -15.247 -2.808 352 H PHE 46 HN PHE 46 3.565 -10.377 4.092 353 HA PHE 46 HA PHE 46 1.156 -8.895 4.903 354 HB2 PHE 46 HB2 PHE 46 1.582 -10.097 6.856 355 HB3 PHE 46 HB1 PHE 46 3.326 -10.052 6.623 356 HD1 PHE 46 HD1 PHE 46 1.149 -7.099 6.357 357 HD2 PHE 46 HD2 PHE 46 3.878 -9.268 8.796 358 HE1 PHE 46 HE1 PHE 46 1.298 -5.180 7.888 359 HE2 PHE 46 HE2 PHE 46 4.033 -7.354 10.334 360 HZ PHE 46 HZ PHE 46 2.742 -5.306 9.881 361 H LEU 47 HN LEU 47 1.315 -6.773 4.504 362 HA LEU 47 HA LEU 47 4.016 -5.623 4.244 363 HB2 LEU 47 HB2 LEU 47 1.943 -5.783 2.300 364 HB3 LEU 47 HB1 LEU 47 2.155 -4.099 2.731 365 HG LEU 47 HG LEU 47 4.178 -5.971 1.531 366 HD11 LEU 47 HD11 LEU 47 2.446 -3.939 0.541 367 HD12 LEU 47 HD12 LEU 47 3.596 -4.943 -0.342 368 HD13 LEU 47 HD13 LEU 47 4.117 -3.407 0.352 369 HD21 LEU 47 HD21 LEU 47 5.197 -3.323 1.966 370 HD22 LEU 47 HD22 LEU 47 5.879 -4.877 2.446 371 HD23 LEU 47 HD23 LEU 47 4.730 -4.055 3.501 372 H ARG 48 HN ARG 48 4.417 -4.161 5.724 373 HA ARG 48 HA ARG 48 2.207 -2.474 6.699 374 HB2 ARG 48 HB2 ARG 48 3.006 -3.935 8.477 375 HB3 ARG 48 HB1 ARG 48 4.663 -3.437 8.179 376 HG2 ARG 48 HG2 ARG 48 3.032 -1.137 8.683 377 HG3 ARG 48 HG1 ARG 48 2.831 -2.323 9.975 378 HD2 ARG 48 HD2 ARG 48 5.529 -1.496 8.952 379 HD3 ARG 48 HD1 ARG 48 4.706 -0.621 10.243 380 HE ARG 48 HE ARG 48 4.688 -3.239 11.042 381 HH11 ARG 48 HH11 ARG 48 7.135 -0.929 10.143 382 HH12 ARG 48 HH12 ARG 48 8.353 -1.630 11.155 383 HH21 ARG 48 HH21 ARG 48 6.284 -4.171 12.378 384 HH22 ARG 48 HH22 ARG 48 7.871 -3.478 12.422 385 H LEU 49 HN LEU 49 2.400 -0.489 5.855 386 HA LEU 49 HA LEU 49 5.115 0.619 5.547 387 HB2 LEU 49 HB2 LEU 49 2.735 1.024 3.739 388 HB3 LEU 49 HB1 LEU 49 4.260 1.874 3.589 389 HG LEU 49 HG LEU 49 3.719 -1.048 3.109 390 HD11 LEU 49 HD11 LEU 49 4.961 1.074 1.365 391 HD12 LEU 49 HD12 LEU 49 3.274 0.568 1.286 392 HD13 LEU 49 HD13 LEU 49 4.556 -0.580 0.903 393 HD21 LEU 49 HD21 LEU 49 5.779 -0.857 4.410 394 HD22 LEU 49 HD22 LEU 49 6.398 0.326 3.261 395 HD23 LEU 49 HD23 LEU 49 6.112 -1.336 2.747 396 H THR 50 HN THR 50 5.503 2.546 6.416 397 HA THR 50 HA THR 50 3.279 3.961 7.696 398 HB THR 50 HB THR 50 6.215 4.537 8.086 399 HG1 THR 50 HG1 THR 50 6.243 2.592 8.969 400 HG21 THR 50 HG21 THR 50 5.298 6.232 9.233 401 HG22 THR 50 HG22 THR 50 4.910 5.008 10.443 402 HG23 THR 50 HG23 THR 50 3.702 5.481 9.249 403 H LEU 51 HN LEU 51 2.387 5.414 6.361 404 HA LEU 51 HA LEU 51 3.726 6.660 4.213 405 HB2 LEU 51 HB2 LEU 51 1.267 7.791 5.501 406 HB3 LEU 51 HB1 LEU 51 1.732 7.825 3.812 407 HG LEU 51 HG LEU 51 0.691 5.466 5.372 408 HD11 LEU 51 HD11 LEU 51 -0.415 6.509 2.804 409 HD12 LEU 51 HD12 LEU 51 -0.806 7.322 4.320 410 HD13 LEU 51 HD13 LEU 51 -1.220 5.622 4.100 411 HD21 LEU 51 HD21 LEU 51 1.120 5.090 2.513 412 HD22 LEU 51 HD22 LEU 51 1.490 4.022 3.867 413 HD23 LEU 51 HD23 LEU 51 2.616 5.305 3.422 414 HA PRO 52 HA PRO 52 6.067 9.766 6.371 415 HB2 PRO 52 HB2 PRO 52 5.925 11.128 3.740 416 HB3 PRO 52 HB1 PRO 52 7.338 10.687 4.704 417 HG2 PRO 52 HG2 PRO 52 6.691 9.333 2.490 418 HG3 PRO 52 HG1 PRO 52 7.369 8.517 3.911 419 HD2 PRO 52 HD2 PRO 52 4.550 8.593 2.932 420 HD3 PRO 52 HD1 PRO 52 5.444 7.267 3.701 421 H GLY 53 HN GLY 53 3.186 10.394 4.479 422 HA2 GLY 53 HA2 GLY 53 2.806 12.918 5.965 423 HA3 GLY 53 HA1 GLY 53 2.130 12.597 4.376 424 H ARG 54 HN ARG 54 -0.021 12.795 4.804 425 HA ARG 54 HA ARG 54 -1.155 10.766 6.591 426 HB2 ARG 54 HB2 ARG 54 -2.051 13.650 6.530 427 HB3 ARG 54 HB1 ARG 54 -2.751 12.366 7.504 428 HG2 ARG 54 HG2 ARG 54 -0.441 12.135 8.556 429 HG3 ARG 54 HG1 ARG 54 -0.075 13.685 7.795 430 HD2 ARG 54 HD2 ARG 54 -2.587 13.943 9.065 431 HD3 ARG 54 HD1 ARG 54 -1.502 13.158 10.213 432 HE ARG 54 HE ARG 54 -0.175 15.343 9.056 433 HH11 ARG 54 HH11 ARG 54 -2.807 14.651 11.228 434 HH12 ARG 54 HH12 ARG 54 -2.642 16.134 12.108 435 HH21 ARG 54 HH21 ARG 54 0.062 17.292 10.216 436 HH22 ARG 54 HH22 ARG 54 -1.011 17.638 11.532 437 H ILE 55 HN ILE 55 -2.750 9.653 5.685 438 HA ILE 55 HA ILE 55 -4.019 10.752 3.260 439 HB ILE 55 HB ILE 55 -3.547 7.880 4.076 440 HG12 ILE 55 HG12 ILE 55 -1.565 8.903 3.165 441 HG13 ILE 55 HG11 ILE 55 -2.242 7.830 1.944 442 HG21 ILE 55 HG21 ILE 55 -5.760 8.628 2.782 443 HG22 ILE 55 HG22 ILE 55 -4.922 7.115 2.445 444 HG23 ILE 55 HG23 ILE 55 -4.658 8.518 1.410 445 HD11 ILE 55 HD11 ILE 55 -1.458 9.946 1.002 446 HD12 ILE 55 HD12 ILE 55 -2.602 10.816 2.023 447 HD13 ILE 55 HD13 ILE 55 -3.192 9.721 0.772 448 H VAL 56 HN VAL 56 -6.117 11.273 3.448 449 HA VAL 56 HA VAL 56 -7.534 10.967 5.834 450 HB VAL 56 HB VAL 56 -8.164 12.746 4.413 451 HG11 VAL 56 HG11 VAL 56 -7.583 12.166 2.257 452 HG12 VAL 56 HG12 VAL 56 -9.344 12.119 2.181 453 HG13 VAL 56 HG13 VAL 56 -8.428 10.620 2.335 454 HG21 VAL 56 HG21 VAL 56 -10.548 12.493 4.258 455 HG22 VAL 56 HG22 VAL 56 -9.987 11.642 5.698 456 HG23 VAL 56 HG23 VAL 56 -10.405 10.734 4.243 457 H GLU 57 HN GLU 57 -9.554 9.889 6.219 458 HA GLU 57 HA GLU 57 -9.786 7.305 4.823 459 HB2 GLU 57 HB2 GLU 57 -10.727 7.381 7.605 460 HB3 GLU 57 HB1 GLU 57 -9.787 6.154 6.768 461 HG2 GLU 57 HG2 GLU 57 -7.772 7.515 7.049 462 HG3 GLU 57 HG1 GLU 57 -8.719 8.726 7.912 463 H ASN 58 HN ASN 58 -11.748 6.845 4.030 464 HA ASN 58 HA ASN 58 -14.169 7.742 5.247 465 HB2 ASN 58 HB2 ASN 58 -13.041 9.666 3.685 466 HB3 ASN 58 HB1 ASN 58 -14.050 8.831 2.507 467 HD21 ASN 58 HD21 ASN 58 -15.098 10.984 2.512 468 HD22 ASN 58 HD22 ASN 58 -16.361 11.261 3.658 469 H GLY 59 HN GLY 59 -12.555 6.427 2.407 470 HA2 GLY 59 HA2 GLY 59 -13.158 4.152 1.753 471 HA3 GLY 59 HA1 GLY 59 -14.828 4.565 2.109 472 H SER 60 HN SER 60 -13.261 7.126 0.584 473 HA SER 60 HA SER 60 -14.618 6.477 -1.926 474 HB2 SER 60 HB2 SER 60 -14.579 8.796 -0.473 475 HB3 SER 60 HB1 SER 60 -13.330 9.115 -1.677 476 HG SER 60 HG SER 60 -16.023 8.358 -2.162 477 H GLU 61 HN GLU 61 -12.183 5.143 -1.232 478 HA GLU 61 HA GLU 61 -10.086 6.346 -2.831 479 HB2 GLU 61 HB2 GLU 61 -9.029 3.984 -2.267 480 HB3 GLU 61 HB1 GLU 61 -9.092 5.269 -1.068 481 HG2 GLU 61 HG2 GLU 61 -10.888 4.277 0.064 482 HG3 GLU 61 HG1 GLU 61 -11.249 3.200 -1.283 483 H GLN 62 HN GLN 62 -8.873 4.334 -4.114 484 HA GLN 62 HA GLN 62 -10.896 3.150 -5.887 485 HB2 GLN 62 HB2 GLN 62 -8.526 4.833 -6.648 486 HB3 GLN 62 HB1 GLN 62 -9.178 3.644 -7.766 487 HG2 GLN 62 HG2 GLN 62 -11.440 4.915 -7.107 488 HG3 GLN 62 HG1 GLN 62 -10.286 6.228 -6.882 489 HE21 GLN 62 HE21 GLN 62 -11.681 7.072 -8.676 490 HE22 GLN 62 HE22 GLN 62 -11.185 6.717 -10.292 491 H GLY 63 HN GLY 63 -10.640 1.027 -6.054 492 HA2 GLY 63 HA2 GLY 63 -7.924 -0.078 -5.680 493 HA3 GLY 63 HA1 GLY 63 -9.356 -0.842 -5.006 494 H SER 64 HN SER 64 -7.194 -1.493 -7.140 495 HA SER 64 HA SER 64 -9.015 -2.947 -8.861 496 HB2 SER 64 HB2 SER 64 -8.324 -0.540 -9.816 497 HB3 SER 64 HB1 SER 64 -6.914 -1.455 -10.349 498 HG SER 64 HG SER 64 -8.627 -1.448 -11.893 499 H TYR 65 HN TYR 65 -8.240 -4.939 -8.520 500 HA TYR 65 HA TYR 65 -5.325 -5.333 -8.540 501 HB2 TYR 65 HB2 TYR 65 -6.166 -6.173 -6.508 502 HB3 TYR 65 HB1 TYR 65 -7.574 -6.891 -7.287 503 HD1 TYR 65 HD2 TYR 65 -3.853 -7.156 -7.211 504 HD2 TYR 65 HD1 TYR 65 -7.562 -9.163 -7.778 505 HE1 TYR 65 HE2 TYR 65 -2.661 -9.300 -7.370 506 HE2 TYR 65 HE1 TYR 65 -6.379 -11.314 -7.938 507 HH TYR 65 HH TYR 65 -3.116 -11.585 -8.443 508 H ASP 66 HN ASP 66 -4.362 -6.727 -9.932 509 HA ASP 66 HA ASP 66 -6.096 -7.983 -11.956 510 HB2 ASP 66 HB2 ASP 66 -4.714 -6.115 -12.831 511 HB3 ASP 66 HB1 ASP 66 -3.264 -6.977 -12.325 512 H ALA 67 HN ALA 67 -6.181 -10.102 -11.659 513 HA ALA 67 HA ALA 67 -4.239 -11.545 -10.159 514 HB1 ALA 67 HB1 ALA 67 -6.101 -13.051 -11.892 515 HB2 ALA 67 HB2 ALA 67 -6.821 -12.000 -10.671 516 HB3 ALA 67 HB3 ALA 67 -5.698 -13.272 -10.190 517 H ASP 68 HN ASP 68 -5.160 -11.662 -13.605 518 HA ASP 68 HA ASP 68 -3.276 -13.508 -14.448 519 HB2 ASP 68 HB2 ASP 68 -5.134 -12.639 -15.846 520 HB3 ASP 68 HB1 ASP 68 -4.267 -11.116 -16.014 521 H LYS 69 HN LYS 69 -2.967 -9.987 -14.161 522 HA LYS 69 HA LYS 69 -0.191 -10.070 -14.986 523 HB2 LYS 69 HB2 LYS 69 -1.595 -8.170 -15.637 524 HB3 LYS 69 HB1 LYS 69 -1.878 -7.785 -13.945 525 HG2 LYS 69 HG2 LYS 69 0.334 -7.083 -13.620 526 HG3 LYS 69 HG1 LYS 69 0.882 -7.838 -15.119 527 HD2 LYS 69 HD2 LYS 69 0.770 -5.538 -15.599 528 HD3 LYS 69 HD1 LYS 69 -0.690 -6.226 -16.313 529 HE2 LYS 69 HE2 LYS 69 -1.919 -5.571 -14.243 530 HE3 LYS 69 HE1 LYS 69 -0.462 -4.740 -13.700 531 HZ1 LYS 69 HZ1 LYS 69 -0.945 -3.843 -16.266 532 HZ2 LYS 69 HZ2 LYS 69 -1.169 -2.984 -14.827 533 HZ3 LYS 69 HZ3 LYS 69 -2.455 -3.849 -15.504 534 H GLY 70 HN GLY 70 -2.034 -10.047 -12.046 535 HA2 GLY 70 HA2 GLY 70 -1.371 -10.385 -9.870 536 HA3 GLY 70 HA1 GLY 70 0.242 -10.721 -10.480 537 H ILE 71 HN ILE 71 -1.942 -7.916 -10.121 538 HA ILE 71 HA ILE 71 0.096 -6.515 -8.614 539 HB ILE 71 HB ILE 71 -0.878 -5.397 -11.244 540 HG12 ILE 71 HG12 ILE 71 1.753 -6.545 -10.336 541 HG13 ILE 71 HG11 ILE 71 0.815 -6.949 -11.771 542 HG21 ILE 71 HG21 ILE 71 -0.099 -4.056 -8.916 543 HG22 ILE 71 HG22 ILE 71 -0.301 -3.375 -10.531 544 HG23 ILE 71 HG23 ILE 71 1.281 -3.957 -10.010 545 HD11 ILE 71 HD11 ILE 71 1.445 -4.958 -12.859 546 HD12 ILE 71 HD12 ILE 71 2.916 -5.614 -12.142 547 HD13 ILE 71 HD13 ILE 71 2.088 -4.262 -11.373 548 H PHE 72 HN PHE 72 -0.936 -5.591 -6.978 549 HA PHE 72 HA PHE 72 -3.740 -4.788 -7.327 550 HB2 PHE 72 HB2 PHE 72 -3.515 -6.315 -5.510 551 HB3 PHE 72 HB1 PHE 72 -2.116 -5.458 -4.871 552 HD1 PHE 72 HD2 PHE 72 -5.568 -4.444 -5.881 553 HD2 PHE 72 HD1 PHE 72 -2.569 -4.470 -2.861 554 HE1 PHE 72 HE2 PHE 72 -7.045 -3.138 -4.409 555 HE2 PHE 72 HE1 PHE 72 -4.041 -3.164 -1.383 556 HZ PHE 72 HZ PHE 72 -6.281 -2.496 -2.157 557 H THR 73 HN THR 73 -3.936 -2.719 -7.879 558 HA THR 73 HA THR 73 -2.165 -0.743 -6.594 559 HB THR 73 HB THR 73 -3.592 -0.548 -9.254 560 HG1 THR 73 HG1 THR 73 -1.443 -1.800 -8.863 561 HG21 THR 73 HG21 THR 73 -3.493 1.655 -8.798 562 HG22 THR 73 HG22 THR 73 -1.793 1.471 -9.230 563 HG23 THR 73 HG23 THR 73 -2.280 1.442 -7.536 564 H ILE 74 HN ILE 74 -3.113 0.556 -5.147 565 HA ILE 74 HA ILE 74 -5.963 1.202 -5.506 566 HB ILE 74 HB ILE 74 -5.794 -0.510 -3.780 567 HG12 ILE 74 HG12 ILE 74 -6.357 1.607 -1.916 568 HG13 ILE 74 HG11 ILE 74 -6.995 2.037 -3.501 569 HG21 ILE 74 HG21 ILE 74 -3.487 0.997 -3.012 570 HG22 ILE 74 HG22 ILE 74 -4.009 -0.597 -2.468 571 HG23 ILE 74 HG23 ILE 74 -4.584 0.849 -1.638 572 HD11 ILE 74 HD11 ILE 74 -8.347 0.096 -3.575 573 HD12 ILE 74 HD12 ILE 74 -8.575 0.823 -1.985 574 HD13 ILE 74 HD13 ILE 74 -7.544 -0.597 -2.166 575 H ARG 75 HN ARG 75 -6.287 3.319 -5.624 576 HA ARG 75 HA ARG 75 -4.243 5.182 -4.728 577 HB2 ARG 75 HB2 ARG 75 -6.868 5.714 -6.128 578 HB3 ARG 75 HB1 ARG 75 -5.558 6.865 -5.899 579 HG2 ARG 75 HG2 ARG 75 -4.567 6.181 -7.756 580 HG3 ARG 75 HG1 ARG 75 -4.552 4.512 -7.184 581 HD2 ARG 75 HD2 ARG 75 -7.207 5.231 -7.983 582 HD3 ARG 75 HD1 ARG 75 -6.078 5.621 -9.279 583 HE ARG 75 HE ARG 75 -5.711 2.993 -8.170 584 HH11 ARG 75 HH11 ARG 75 -7.420 4.906 -10.524 585 HH12 ARG 75 HH12 ARG 75 -7.781 3.559 -11.550 586 HH21 ARG 75 HH21 ARG 75 -6.176 1.209 -9.520 587 HH22 ARG 75 HH22 ARG 75 -7.074 1.458 -10.980 588 H LEU 76 HN LEU 76 -4.498 6.761 -3.180 589 HA LEU 76 HA LEU 76 -6.956 6.659 -1.570 590 HB2 LEU 76 HB2 LEU 76 -4.217 6.854 -0.347 591 HB3 LEU 76 HB1 LEU 76 -5.739 6.544 0.456 592 HG LEU 76 HG LEU 76 -4.583 4.608 -1.526 593 HD11 LEU 76 HD11 LEU 76 -3.317 5.302 0.811 594 HD12 LEU 76 HD12 LEU 76 -3.136 3.774 -0.049 595 HD13 LEU 76 HD13 LEU 76 -4.286 3.905 1.282 596 HD21 LEU 76 HD21 LEU 76 -7.019 4.771 -0.112 597 HD22 LEU 76 HD22 LEU 76 -6.083 3.465 0.616 598 HD23 LEU 76 HD23 LEU 76 -6.426 3.446 -1.114 599 HA PRO 77 HA PRO 77 -6.538 11.074 -1.647 600 HB2 PRO 77 HB2 PRO 77 -8.422 11.621 0.286 601 HB3 PRO 77 HB1 PRO 77 -8.789 11.214 -1.389 602 HG2 PRO 77 HG2 PRO 77 -9.266 9.656 0.996 603 HG3 PRO 77 HG1 PRO 77 -9.779 9.326 -0.662 604 HD2 PRO 77 HD2 PRO 77 -7.561 8.179 0.848 605 HD3 PRO 77 HD1 PRO 77 -8.272 7.641 -0.685 606 H LYS 78 HN LYS 78 -5.878 12.919 -0.405 607 HA LYS 78 HA LYS 78 -4.325 12.169 1.966 608 HB2 LYS 78 HB2 LYS 78 -4.078 14.366 -0.063 609 HB3 LYS 78 HB1 LYS 78 -3.301 14.515 1.507 610 HG2 LYS 78 HG2 LYS 78 -1.646 13.154 0.922 611 HG3 LYS 78 HG1 LYS 78 -2.762 11.950 0.273 612 HD2 LYS 78 HD2 LYS 78 -1.973 12.503 -1.741 613 HD3 LYS 78 HD1 LYS 78 -2.881 14.007 -1.568 614 HE2 LYS 78 HE2 LYS 78 -0.093 13.698 -0.495 615 HE3 LYS 78 HE1 LYS 78 -0.397 14.177 -2.162 616 HZ1 LYS 78 HZ1 LYS 78 -1.098 16.210 -1.547 617 HZ2 LYS 78 HZ2 LYS 78 -0.164 15.908 -0.170 618 HZ3 LYS 78 HZ3 LYS 78 -1.837 15.666 -0.124 619 H GLU 79 HN GLU 79 -4.230 13.615 3.779 620 HA GLU 79 HA GLU 79 -6.835 14.771 4.379 621 HB2 GLU 79 HB2 GLU 79 -5.917 13.295 6.047 622 HB3 GLU 79 HB1 GLU 79 -4.413 14.202 6.090 623 HG2 GLU 79 HG2 GLU 79 -5.465 16.057 7.134 624 HG3 GLU 79 HG1 GLU 79 -7.068 15.371 6.873 625 H THR 80 HN THR 80 -3.960 15.825 3.101 626 HA THR 80 HA THR 80 -4.670 18.591 3.493 627 HB THR 80 HB THR 80 -2.150 17.449 4.687 628 HG1 THR 80 HG1 THR 80 -3.806 19.463 5.779 629 HG21 THR 80 HG21 THR 80 -2.511 20.029 3.358 630 HG22 THR 80 HG22 THR 80 -1.030 19.194 3.830 631 HG23 THR 80 HG23 THR 80 -1.917 20.155 5.012 632 HA PRO 81 HA PRO 81 -3.362 17.654 -0.823 633 HB2 PRO 81 HB2 PRO 81 -4.308 20.493 -0.842 634 HB3 PRO 81 HB1 PRO 81 -4.585 19.210 -2.026 635 HG2 PRO 81 HG2 PRO 81 -6.481 19.884 -0.279 636 HG3 PRO 81 HG1 PRO 81 -6.221 18.192 -0.739 637 HD2 PRO 81 HD2 PRO 81 -5.559 19.584 1.796 638 HD3 PRO 81 HD1 PRO 81 -5.935 17.874 1.508 639 H GLY 82 HN GLY 82 -1.660 18.416 -2.096 640 HA2 GLY 82 HA2 GLY 82 0.183 19.740 -2.641 641 HA3 GLY 82 HA1 GLY 82 -0.086 20.680 -1.185 642 H GLN 83 HN GLN 83 -0.249 17.773 0.071 643 HA GLN 83 HA GLN 83 2.496 17.805 0.950 644 HB2 GLN 83 HB2 GLN 83 0.282 17.227 2.276 645 HB3 GLN 83 HB1 GLN 83 0.600 15.610 1.668 646 HG2 GLN 83 HG2 GLN 83 1.485 16.275 3.984 647 HG3 GLN 83 HG1 GLN 83 2.543 15.386 2.892 648 HE21 GLN 83 HE21 GLN 83 4.505 16.169 2.604 649 HE22 GLN 83 HE22 GLN 83 5.014 17.784 2.943 650 H HIS 84 HN HIS 84 4.092 16.395 0.419 651 HA HIS 84 HA HIS 84 3.417 14.233 -1.464 652 HB2 HIS 84 HB2 HIS 84 4.726 16.428 -2.271 653 HB3 HIS 84 HB1 HIS 84 6.095 15.506 -1.661 654 HD1 HIS 84 HD1 HIS 84 7.033 13.757 -3.176 655 HD2 HIS 84 HD2 HIS 84 3.254 15.015 -4.364 656 HE1 HIS 84 HE1 HIS 84 6.622 12.647 -5.395 657 HE2 HIS 84 HE2 HIS 84 4.320 13.404 -6.085 658 H PHE 85 HN PHE 85 3.851 12.327 -0.599 659 HA PHE 85 HA PHE 85 5.479 12.021 1.715 660 HB2 PHE 85 HB2 PHE 85 4.406 9.890 -0.144 661 HB3 PHE 85 HB1 PHE 85 4.982 9.653 1.497 662 HD1 PHE 85 HD2 PHE 85 3.381 12.659 1.704 663 HD2 PHE 85 HD1 PHE 85 2.496 8.536 1.126 664 HE1 PHE 85 HE2 PHE 85 1.101 13.034 2.539 665 HE2 PHE 85 HE1 PHE 85 0.212 8.906 1.962 666 HZ PHE 85 HZ PHE 85 -0.487 11.158 2.671 667 H GLU 86 HN GLU 86 7.568 12.654 1.279 668 HA GLU 86 HA GLU 86 8.999 11.747 -1.015 669 HB2 GLU 86 HB2 GLU 86 9.410 13.610 1.140 670 HB3 GLU 86 HB1 GLU 86 10.850 12.627 0.907 671 HG2 GLU 86 HG2 GLU 86 9.977 13.384 -1.654 672 HG3 GLU 86 HG1 GLU 86 9.888 14.825 -0.643 673 H GLY 87 HN GLY 87 11.271 10.853 -0.621 674 HA2 GLY 87 HA2 GLY 87 12.339 8.806 -0.398 675 HA3 GLY 87 HA1 GLY 87 12.239 9.280 1.286 676 H LEU 88 HN LEU 88 9.495 8.270 -0.738 677 HA LEU 88 HA LEU 88 8.497 6.490 1.180 678 HB2 LEU 88 HB2 LEU 88 8.097 6.731 -1.775 679 HB3 LEU 88 HB1 LEU 88 7.300 5.476 -0.858 680 HG LEU 88 HG LEU 88 6.972 8.438 -0.401 681 HD11 LEU 88 HD11 LEU 88 4.853 6.576 -1.398 682 HD12 LEU 88 HD12 LEU 88 5.989 7.330 -2.518 683 HD13 LEU 88 HD13 LEU 88 4.941 8.334 -1.515 684 HD21 LEU 88 HD21 LEU 88 6.731 7.121 1.646 685 HD22 LEU 88 HD22 LEU 88 5.549 6.089 0.841 686 HD23 LEU 88 HD23 LEU 88 5.185 7.792 1.124 687 H ASN 89 HN ASN 89 9.994 5.617 -1.959 688 HA ASN 89 HA ASN 89 10.627 2.977 -0.932 689 HB2 ASN 89 HB2 ASN 89 9.798 3.781 -3.366 690 HB3 ASN 89 HB1 ASN 89 11.539 3.815 -3.628 691 HD21 ASN 89 HD21 ASN 89 10.587 2.133 -5.200 692 HD22 ASN 89 HD22 ASN 89 10.645 0.497 -4.649 693 H MET 90 HN MET 90 11.992 5.771 -0.409 694 HA MET 90 HA MET 90 14.750 4.770 -0.690 695 HB2 MET 90 HB2 MET 90 13.771 7.635 -0.688 696 HB3 MET 90 HB1 MET 90 15.462 7.154 -0.683 697 HG2 MET 90 HG2 MET 90 15.415 7.150 -2.889 698 HG3 MET 90 HG1 MET 90 14.295 5.790 -2.826 699 HE1 MET 90 HE1 MET 90 12.287 5.640 -3.459 700 HE2 MET 90 HE2 MET 90 12.249 6.511 -4.993 701 HE3 MET 90 HE3 MET 90 11.054 6.868 -3.745 702 H LEU 91 HN LEU 91 12.545 4.607 1.393 703 HA LEU 91 HA LEU 91 13.718 5.987 3.661 704 HB2 LEU 91 HB2 LEU 91 11.131 5.000 2.925 705 HB3 LEU 91 HB1 LEU 91 11.609 4.271 4.453 706 HG LEU 91 HG LEU 91 11.392 7.208 3.836 707 HD11 LEU 91 HD11 LEU 91 9.780 7.006 5.827 708 HD12 LEU 91 HD12 LEU 91 9.796 5.278 5.475 709 HD13 LEU 91 HD13 LEU 91 9.241 6.422 4.252 710 HD21 LEU 91 HD21 LEU 91 11.963 7.526 6.234 711 HD22 LEU 91 HD22 LEU 91 13.299 6.932 5.247 712 HD23 LEU 91 HD23 LEU 91 12.420 5.824 6.301 713 H THR 92 HN THR 92 13.592 4.472 5.776 714 HA THR 92 HA THR 92 14.844 1.894 5.147 715 HB THR 92 HB THR 92 16.499 2.234 6.936 716 HG1 THR 92 HG1 THR 92 15.866 3.767 8.303 717 HG21 THR 92 HG21 THR 92 16.830 2.963 4.473 718 HG22 THR 92 HG22 THR 92 18.003 3.479 5.684 719 HG23 THR 92 HG23 THR 92 16.762 4.601 5.125 720 H ALA 93 HN ALA 93 15.094 0.614 7.330 721 HA ALA 93 HA ALA 93 12.462 0.677 8.569 722 HB1 ALA 93 HB1 ALA 93 12.924 -1.500 7.976 723 HB2 ALA 93 HB2 ALA 93 13.424 -1.484 9.667 724 HB3 ALA 93 HB3 ALA 93 14.633 -1.363 8.389 725 H LEU 94 HN LEU 94 12.075 1.197 10.648 726 HA LEU 94 HA LEU 94 14.401 1.795 12.354 727 HB2 LEU 94 HB2 LEU 94 13.071 3.622 13.367 728 HB3 LEU 94 HB1 LEU 94 13.480 3.896 11.684 729 HG LEU 94 HG LEU 94 11.025 2.742 11.441 730 HD11 LEU 94 HD11 LEU 94 10.904 4.482 13.899 731 HD12 LEU 94 HD12 LEU 94 10.753 2.725 13.896 732 HD13 LEU 94 HD13 LEU 94 9.545 3.716 13.076 733 HD21 LEU 94 HD21 LEU 94 11.963 4.844 10.423 734 HD22 LEU 94 HD22 LEU 94 11.441 5.689 11.881 735 HD23 LEU 94 HD23 LEU 94 10.250 4.903 10.844 736 H LEU 95 HN LEU 95 14.438 0.754 14.226 737 HA LEU 95 HA LEU 95 12.039 -0.690 15.054 738 HB2 LEU 95 HB2 LEU 95 14.950 -1.080 15.373 739 HB3 LEU 95 HB1 LEU 95 13.964 -1.560 16.742 740 HG LEU 95 HG LEU 95 13.028 -3.322 15.640 741 HD11 LEU 95 HD11 LEU 95 13.202 -1.568 13.249 742 HD12 LEU 95 HD12 LEU 95 11.830 -2.470 13.894 743 HD13 LEU 95 HD13 LEU 95 13.100 -3.313 13.005 744 HD21 LEU 95 HD21 LEU 95 15.117 -4.185 15.546 745 HD22 LEU 95 HD22 LEU 95 15.761 -2.816 14.640 746 HD23 LEU 95 HD23 LEU 95 14.834 -4.066 13.810 747 H ALA 96 HN ALA 96 10.773 0.302 16.462 748 HA ALA 96 HA ALA 96 11.992 1.606 18.784 749 HB1 ALA 96 HB1 ALA 96 10.272 2.903 16.755 750 HB2 ALA 96 HB2 ALA 96 11.554 3.580 17.759 751 HB3 ALA 96 HB3 ALA 96 9.955 3.294 18.445 Start of MODEL 4 1 H MET 1 H MET 1 6.230 -18.181 -1.407 2 HA MET 1 HA MET 1 8.684 -18.927 -1.062 3 HB2 MET 1 HB2 MET 1 7.035 -19.811 -2.658 4 HB3 MET 1 HB1 MET 1 7.335 -18.449 -3.727 5 HG2 MET 1 HG2 MET 1 8.610 -20.095 -4.689 6 HG3 MET 1 HG1 MET 1 9.793 -19.277 -3.669 7 HE1 MET 1 HE1 MET 1 11.518 -21.990 -3.337 8 HE2 MET 1 HE2 MET 1 10.624 -21.528 -4.784 9 HE3 MET 1 HE3 MET 1 10.393 -23.127 -4.078 10 H LEU 2 HN LEU 2 7.926 -16.224 -3.262 11 HA LEU 2 HA LEU 2 10.750 -15.420 -3.042 12 HB2 LEU 2 HB2 LEU 2 9.384 -14.497 -5.450 13 HB3 LEU 2 HB1 LEU 2 10.971 -15.214 -5.258 14 HG LEU 2 HG LEU 2 9.651 -17.447 -4.988 15 HD11 LEU 2 HD11 LEU 2 7.561 -15.570 -5.666 16 HD12 LEU 2 HD12 LEU 2 7.443 -17.248 -5.137 17 HD13 LEU 2 HD13 LEU 2 7.670 -16.877 -6.845 18 HD21 LEU 2 HD21 LEU 2 10.116 -15.961 -7.559 19 HD22 LEU 2 HD22 LEU 2 9.605 -17.648 -7.514 20 HD23 LEU 2 HD23 LEU 2 11.143 -17.173 -6.794 21 H THR 3 HN THR 3 11.180 -13.326 -2.615 22 HA THR 3 HA THR 3 9.322 -11.716 -1.342 23 HB THR 3 HB THR 3 11.547 -10.330 -2.736 24 HG1 THR 3 HG1 THR 3 12.741 -12.084 -2.229 25 HG21 THR 3 HG21 THR 3 10.179 -10.271 -0.101 26 HG22 THR 3 HG22 THR 3 10.650 -8.944 -1.162 27 HG23 THR 3 HG23 THR 3 11.862 -9.751 -0.166 28 HA PRO 4 HA PRO 4 7.022 -10.031 -4.762 29 HB2 PRO 4 HB2 PRO 4 5.584 -8.223 -3.351 30 HB3 PRO 4 HB1 PRO 4 5.243 -9.956 -3.296 31 HG2 PRO 4 HG2 PRO 4 6.748 -8.255 -1.348 32 HG3 PRO 4 HG1 PRO 4 5.571 -9.542 -1.032 33 HD2 PRO 4 HD2 PRO 4 8.262 -9.910 -0.857 34 HD3 PRO 4 HD1 PRO 4 7.134 -11.207 -1.298 35 H ALA 5 HN ALA 5 7.422 -8.409 -6.176 36 HA ALA 5 HA ALA 5 9.292 -6.329 -5.349 37 HB1 ALA 5 HB1 ALA 5 9.206 -7.867 -7.596 38 HB2 ALA 5 HB2 ALA 5 10.082 -6.345 -7.445 39 HB3 ALA 5 HB3 ALA 5 8.469 -6.367 -8.158 40 H PHE 6 HN PHE 6 7.112 -5.650 -4.122 41 HA PHE 6 HA PHE 6 5.223 -4.183 -5.667 42 HB2 PHE 6 HB2 PHE 6 4.280 -3.532 -3.576 43 HB3 PHE 6 HB1 PHE 6 4.809 -5.198 -3.396 44 HD1 PHE 6 HD2 PHE 6 5.747 -1.691 -2.656 45 HD2 PHE 6 HD1 PHE 6 6.319 -5.802 -1.718 46 HE1 PHE 6 HE2 PHE 6 7.057 -1.052 -0.675 47 HE2 PHE 6 HE1 PHE 6 7.630 -5.170 0.266 48 HZ PHE 6 HZ PHE 6 8.000 -2.793 0.789 49 H ASP 7 HN ASP 7 4.822 -1.802 -5.135 50 HA ASP 7 HA ASP 7 7.160 -0.223 -4.537 51 HB2 ASP 7 HB2 ASP 7 6.351 -0.766 -7.301 52 HB3 ASP 7 HB1 ASP 7 6.488 0.951 -6.934 53 H LEU 8 HN LEU 8 6.664 2.145 -4.625 54 HA LEU 8 HA LEU 8 3.784 2.648 -4.278 55 HB2 LEU 8 HB2 LEU 8 5.848 4.043 -2.614 56 HB3 LEU 8 HB1 LEU 8 4.127 3.882 -2.322 57 HG LEU 8 HG LEU 8 5.471 1.303 -2.357 58 HD11 LEU 8 HD11 LEU 8 7.311 2.778 -1.512 59 HD12 LEU 8 HD12 LEU 8 6.779 1.533 -0.381 60 HD13 LEU 8 HD13 LEU 8 6.260 3.205 -0.161 61 HD21 LEU 8 HD21 LEU 8 3.156 2.120 -1.449 62 HD22 LEU 8 HD22 LEU 8 4.091 2.507 -0.004 63 HD23 LEU 8 HD23 LEU 8 4.048 0.851 -0.610 64 H SER 9 HN SER 9 2.993 4.546 -4.996 65 HA SER 9 HA SER 9 4.811 6.589 -6.032 66 HB2 SER 9 HB2 SER 9 4.368 6.113 -8.186 67 HB3 SER 9 HB1 SER 9 3.326 4.778 -7.690 68 HG SER 9 HG SER 9 1.860 6.008 -8.596 69 H GLN 10 HN GLN 10 4.080 8.631 -5.611 70 HA GLN 10 HA GLN 10 1.287 8.861 -4.722 71 HB2 GLN 10 HB2 GLN 10 1.881 10.044 -2.803 72 HB3 GLN 10 HB1 GLN 10 3.053 8.739 -2.875 73 HG2 GLN 10 HG2 GLN 10 4.332 10.589 -2.332 74 HG3 GLN 10 HG1 GLN 10 4.565 10.426 -4.071 75 HE21 GLN 10 HE21 GLN 10 1.939 11.813 -2.141 76 HE22 GLN 10 HE22 GLN 10 2.003 13.382 -2.863 77 H ASP 11 HN ASP 11 0.217 10.714 -5.116 78 HA ASP 11 HA ASP 11 1.522 12.654 -6.900 79 HB2 ASP 11 HB2 ASP 11 -1.204 11.455 -6.835 80 HB3 ASP 11 HB1 ASP 11 -1.072 13.134 -7.346 81 HA PRO 12 HA PRO 12 0.891 15.956 -4.065 82 HB2 PRO 12 HB2 PRO 12 -0.177 17.927 -5.635 83 HB3 PRO 12 HB1 PRO 12 1.530 17.476 -5.633 84 HG2 PRO 12 HG2 PRO 12 -0.638 16.659 -7.526 85 HG3 PRO 12 HG1 PRO 12 1.030 17.147 -7.879 86 HD2 PRO 12 HD2 PRO 12 0.292 14.565 -7.862 87 HD3 PRO 12 HD1 PRO 12 1.892 15.079 -7.289 88 H ASP 13 HN ASP 13 -1.765 14.353 -5.338 89 HA ASP 13 HA ASP 13 -3.533 15.733 -3.459 90 HB2 ASP 13 HB2 ASP 13 -4.335 14.927 -6.261 91 HB3 ASP 13 HB1 ASP 13 -5.407 15.596 -5.037 92 H PHE 14 HN PHE 14 -2.032 12.995 -4.116 93 HA PHE 14 HA PHE 14 -3.800 11.368 -2.587 94 HB2 PHE 14 HB2 PHE 14 -3.465 10.488 -5.459 95 HB3 PHE 14 HB1 PHE 14 -4.417 9.703 -4.210 96 HD1 PHE 14 HD1 PHE 14 -4.230 12.613 -6.451 97 HD2 PHE 14 HD2 PHE 14 -6.628 10.380 -3.738 98 HE1 PHE 14 HE1 PHE 14 -6.219 13.856 -7.196 99 HE2 PHE 14 HE2 PHE 14 -8.623 11.622 -4.474 100 HZ PHE 14 HZ PHE 14 -8.419 13.361 -6.205 101 H LEU 15 HN LEU 15 -3.060 9.077 -2.507 102 HA LEU 15 HA LEU 15 -0.205 8.734 -3.108 103 HB2 LEU 15 HB2 LEU 15 -0.177 9.250 -0.784 104 HB3 LEU 15 HB1 LEU 15 -1.590 8.266 -0.469 105 HG LEU 15 HG LEU 15 0.821 7.447 0.190 106 HD11 LEU 15 HD11 LEU 15 0.058 5.135 -0.020 107 HD12 LEU 15 HD12 LEU 15 -1.221 5.655 -1.114 108 HD13 LEU 15 HD13 LEU 15 -1.227 6.191 0.565 109 HD21 LEU 15 HD21 LEU 15 2.131 6.548 -1.412 110 HD22 LEU 15 HD22 LEU 15 1.287 7.705 -2.442 111 HD23 LEU 15 HD23 LEU 15 0.761 6.022 -2.391 112 H THR 16 HN THR 16 0.001 6.906 -4.360 113 HA THR 16 HA THR 16 -2.107 4.884 -4.070 114 HB THR 16 HB THR 16 -0.349 5.458 -6.464 115 HG1 THR 16 HG1 THR 16 -2.728 6.504 -5.667 116 HG21 THR 16 HG21 THR 16 -0.886 3.132 -6.438 117 HG22 THR 16 HG22 THR 16 -1.946 3.908 -7.616 118 HG23 THR 16 HG23 THR 16 -2.567 3.467 -6.025 119 H ILE 17 HN ILE 17 -1.544 2.703 -4.107 120 HA ILE 17 HA ILE 17 1.303 2.121 -3.619 121 HB ILE 17 HB ILE 17 -0.994 0.719 -2.252 122 HG12 ILE 17 HG12 ILE 17 0.816 2.769 -0.968 123 HG13 ILE 17 HG11 ILE 17 -0.725 3.218 -1.692 124 HG21 ILE 17 HG21 ILE 17 0.901 0.083 -0.677 125 HG22 ILE 17 HG22 ILE 17 1.992 0.655 -1.940 126 HG23 ILE 17 HG23 ILE 17 0.889 -0.681 -2.266 127 HD11 ILE 17 HD11 ILE 17 -1.795 1.527 -0.160 128 HD12 ILE 17 HD12 ILE 17 -1.109 2.955 0.614 129 HD13 ILE 17 HD13 ILE 17 -0.240 1.421 0.665 130 H ALA 18 HN ALA 18 2.026 0.016 -4.292 131 HA ALA 18 HA ALA 18 0.161 -1.492 -5.976 132 HB1 ALA 18 HB1 ALA 18 1.730 -1.604 -7.826 133 HB2 ALA 18 HB2 ALA 18 2.861 -0.574 -6.948 134 HB3 ALA 18 HB3 ALA 18 1.305 0.071 -7.471 135 H ILE 19 HN ILE 19 0.247 -3.572 -5.518 136 HA ILE 19 HA ILE 19 2.787 -4.730 -4.565 137 HB ILE 19 HB ILE 19 0.106 -5.750 -3.677 138 HG12 ILE 19 HG12 ILE 19 1.801 -3.662 -2.287 139 HG13 ILE 19 HG11 ILE 19 0.212 -3.397 -3.002 140 HG21 ILE 19 HG21 ILE 19 1.403 -7.335 -2.822 141 HG22 ILE 19 HG22 ILE 19 2.032 -6.122 -1.708 142 HG23 ILE 19 HG23 ILE 19 2.869 -6.442 -3.227 143 HD11 ILE 19 HD11 ILE 19 -0.869 -4.605 -1.340 144 HD12 ILE 19 HD12 ILE 19 0.377 -3.710 -0.468 145 HD13 ILE 19 HD13 ILE 19 0.612 -5.419 -0.835 146 H ARG 20 HN ARG 20 3.465 -6.521 -5.632 147 HA ARG 20 HA ARG 20 1.584 -7.724 -7.554 148 HB2 ARG 20 HB2 ARG 20 4.142 -8.622 -8.200 149 HB3 ARG 20 HB1 ARG 20 3.218 -7.386 -9.040 150 HG2 ARG 20 HG2 ARG 20 5.104 -6.858 -6.755 151 HG3 ARG 20 HG1 ARG 20 5.505 -6.675 -8.464 152 HD2 ARG 20 HD2 ARG 20 3.261 -5.202 -8.359 153 HD3 ARG 20 HD1 ARG 20 3.836 -4.983 -6.707 154 HE ARG 20 HE ARG 20 6.041 -4.457 -8.135 155 HH11 ARG 20 HH11 ARG 20 2.756 -3.355 -8.454 156 HH12 ARG 20 HH12 ARG 20 3.197 -1.818 -9.118 157 HH21 ARG 20 HH21 ARG 20 6.636 -2.434 -9.009 158 HH22 ARG 20 HH22 ARG 20 5.404 -1.293 -9.431 159 H VAL 21 HN VAL 21 0.820 -9.651 -7.038 160 HA VAL 21 HA VAL 21 2.571 -11.603 -5.745 161 HB VAL 21 HB VAL 21 0.861 -12.209 -4.082 162 HG11 VAL 21 HG11 VAL 21 1.461 -9.285 -3.777 163 HG12 VAL 21 HG12 VAL 21 2.731 -10.506 -3.695 164 HG13 VAL 21 HG13 VAL 21 1.402 -10.537 -2.538 165 HG21 VAL 21 HG21 VAL 21 -1.088 -10.928 -3.706 166 HG22 VAL 21 HG22 VAL 21 -1.040 -11.226 -5.444 167 HG23 VAL 21 HG23 VAL 21 -0.555 -9.654 -4.804 168 H SER 22 HN SER 22 2.245 -13.654 -6.375 169 HA SER 22 HA SER 22 -0.069 -14.193 -8.116 170 HB2 SER 22 HB2 SER 22 2.802 -14.877 -8.332 171 HB3 SER 22 HB1 SER 22 1.683 -16.174 -8.745 172 HG SER 22 HG SER 22 1.240 -15.169 -10.528 173 H TYR 23 HN TYR 23 1.968 -15.372 -5.519 174 HA TYR 23 HA TYR 23 0.774 -17.903 -5.162 175 HB2 TYR 23 HB2 TYR 23 2.401 -16.090 -3.405 176 HB3 TYR 23 HB1 TYR 23 1.695 -17.563 -2.750 177 HD1 TYR 23 HD1 TYR 23 3.853 -16.360 -5.539 178 HD2 TYR 23 HD2 TYR 23 2.856 -19.569 -2.932 179 HE1 TYR 23 HE1 TYR 23 5.766 -17.644 -6.399 180 HE2 TYR 23 HE2 TYR 23 4.764 -20.864 -3.784 181 HH TYR 23 HH TYR 23 6.536 -19.910 -6.568 182 H ALA 24 HN ALA 24 -0.466 -14.837 -4.688 183 HA ALA 24 HA ALA 24 -1.872 -14.429 -2.551 184 HB1 ALA 24 HB1 ALA 24 -2.277 -13.509 -4.949 185 HB2 ALA 24 HB2 ALA 24 -3.561 -13.420 -3.744 186 HB3 ALA 24 HB3 ALA 24 -3.593 -14.682 -4.974 187 H ARG 25 HN ARG 25 -2.027 -16.284 -1.242 188 HA ARG 25 HA ARG 25 -3.535 -18.578 -1.959 189 HB2 ARG 25 HB2 ARG 25 -1.968 -17.721 0.253 190 HB3 ARG 25 HB1 ARG 25 -3.528 -18.238 0.871 191 HG2 ARG 25 HG2 ARG 25 -3.148 -20.324 -0.614 192 HG3 ARG 25 HG1 ARG 25 -1.459 -19.814 -0.593 193 HD2 ARG 25 HD2 ARG 25 -1.315 -20.031 1.743 194 HD3 ARG 25 HD1 ARG 25 -3.066 -20.121 1.925 195 HE ARG 25 HE ARG 25 -1.832 -22.257 0.399 196 HH11 ARG 25 HH11 ARG 25 -3.019 -21.160 3.482 197 HH12 ARG 25 HH12 ARG 25 -3.236 -22.758 4.115 198 HH21 ARG 25 HH21 ARG 25 -2.110 -24.366 1.220 199 HH22 ARG 25 HH22 ARG 25 -2.719 -24.582 2.827 200 H VAL 26 HN VAL 26 -4.300 -16.290 0.655 201 HA VAL 26 HA VAL 26 -6.962 -16.916 0.951 202 HB VAL 26 HB VAL 26 -7.272 -14.791 2.035 203 HG11 VAL 26 HG11 VAL 26 -5.758 -15.057 3.745 204 HG12 VAL 26 HG12 VAL 26 -4.412 -15.375 2.650 205 HG13 VAL 26 HG13 VAL 26 -5.631 -16.618 2.935 206 HG21 VAL 26 HG21 VAL 26 -4.896 -13.986 0.410 207 HG22 VAL 26 HG22 VAL 26 -5.238 -13.170 1.936 208 HG23 VAL 26 HG23 VAL 26 -6.434 -13.152 0.640 209 H SER 27 HN SER 27 -8.848 -16.384 -0.032 210 HA SER 27 HA SER 27 -8.824 -15.589 -2.726 211 HB2 SER 27 HB2 SER 27 -10.600 -16.973 -1.555 212 HB3 SER 27 HB1 SER 27 -11.228 -15.459 -0.903 213 HG SER 27 HG SER 27 -10.824 -15.271 -3.567 214 H GLU 28 HN GLU 28 -9.550 -13.786 0.241 215 HA GLU 28 HA GLU 28 -9.526 -11.319 -1.369 216 HB2 GLU 28 HB2 GLU 28 -11.726 -12.041 -0.204 217 HB3 GLU 28 HB1 GLU 28 -10.926 -11.549 1.281 218 HG2 GLU 28 HG2 GLU 28 -11.911 -9.585 0.818 219 HG3 GLU 28 HG1 GLU 28 -10.487 -9.361 -0.197 220 H PHE 29 HN PHE 29 -8.333 -9.593 -0.613 221 HA PHE 29 HA PHE 29 -6.402 -10.257 1.486 222 HB2 PHE 29 HB2 PHE 29 -6.169 -7.789 -0.179 223 HB3 PHE 29 HB1 PHE 29 -4.903 -8.825 0.470 224 HD1 PHE 29 HD2 PHE 29 -6.199 -11.439 -0.570 225 HD2 PHE 29 HD1 PHE 29 -5.278 -7.705 -2.392 226 HE1 PHE 29 HE2 PHE 29 -5.996 -12.557 -2.753 227 HE2 PHE 29 HE1 PHE 29 -5.075 -8.816 -4.577 228 HZ PHE 29 HZ PHE 29 -5.432 -11.245 -4.760 229 H ASP 30 HN ASP 30 -5.699 -8.450 2.917 230 HA ASP 30 HA ASP 30 -8.037 -6.869 3.756 231 HB2 ASP 30 HB2 ASP 30 -5.804 -7.361 5.657 232 HB3 ASP 30 HB1 ASP 30 -7.537 -7.272 5.955 233 H VAL 31 HN VAL 31 -7.880 -4.772 3.378 234 HA VAL 31 HA VAL 31 -5.209 -3.522 3.426 235 HB VAL 31 HB VAL 31 -7.500 -2.391 1.849 236 HG11 VAL 31 HG11 VAL 31 -5.509 -1.004 2.304 237 HG12 VAL 31 HG12 VAL 31 -5.743 -1.317 0.584 238 HG13 VAL 31 HG13 VAL 31 -4.512 -2.206 1.482 239 HG21 VAL 31 HG21 VAL 31 -5.467 -4.314 0.731 240 HG22 VAL 31 HG22 VAL 31 -6.839 -3.589 -0.106 241 HG23 VAL 31 HG23 VAL 31 -7.112 -4.772 1.172 242 H TYR 32 HN TYR 32 -4.989 -2.279 5.163 243 HA TYR 32 HA TYR 32 -7.292 -0.657 6.022 244 HB2 TYR 32 HB2 TYR 32 -5.296 -2.089 7.785 245 HB3 TYR 32 HB1 TYR 32 -6.478 -0.921 8.366 246 HD1 TYR 32 HD1 TYR 32 -8.977 -1.465 7.724 247 HD2 TYR 32 HD2 TYR 32 -5.842 -4.336 7.835 248 HE1 TYR 32 HE1 TYR 32 -10.639 -3.261 7.975 249 HE2 TYR 32 HE2 TYR 32 -7.493 -6.141 8.086 250 HH TYR 32 HH TYR 32 -10.650 -5.852 7.406 251 H PHE 33 HN PHE 33 -6.901 1.449 6.015 252 HA PHE 33 HA PHE 33 -4.115 2.356 6.285 253 HB2 PHE 33 HB2 PHE 33 -4.534 4.125 4.694 254 HB3 PHE 33 HB1 PHE 33 -4.955 2.582 3.960 255 HD1 PHE 33 HD2 PHE 33 -7.332 1.956 3.687 256 HD2 PHE 33 HD1 PHE 33 -6.152 5.818 5.026 257 HE1 PHE 33 HE2 PHE 33 -9.568 2.823 3.141 258 HE2 PHE 33 HE1 PHE 33 -8.387 6.694 4.483 259 HZ PHE 33 HZ PHE 33 -10.099 5.195 3.538 260 H GLU 34 HN GLU 34 -3.847 3.453 8.110 261 HA GLU 34 HA GLU 34 -5.923 5.348 8.937 262 HB2 GLU 34 HB2 GLU 34 -5.275 4.561 11.363 263 HB3 GLU 34 HB1 GLU 34 -6.503 3.707 10.438 264 HG2 GLU 34 HG2 GLU 34 -5.364 1.842 10.762 265 HG3 GLU 34 HG1 GLU 34 -4.080 2.502 9.748 266 H GLY 35 HN GLY 35 -5.067 7.289 9.200 267 HA2 GLY 35 HA2 GLY 35 -3.460 8.936 9.357 268 HA3 GLY 35 HA1 GLY 35 -3.040 8.070 10.826 269 H SER 36 HN SER 36 -2.570 7.629 7.315 270 HA SER 36 HA SER 36 -0.716 7.171 6.083 271 HB2 SER 36 HB2 SER 36 1.384 7.723 7.971 272 HB3 SER 36 HB1 SER 36 0.931 8.621 6.523 273 HG SER 36 HG SER 36 0.523 10.059 8.061 274 H ASP 37 HN ASP 37 -1.864 5.229 8.068 275 HA ASP 37 HA ASP 37 0.483 3.464 8.334 276 HB2 ASP 37 HB2 ASP 37 -0.994 4.179 10.394 277 HB3 ASP 37 HB1 ASP 37 -2.092 2.947 9.779 278 H PHE 38 HN PHE 38 0.539 2.275 6.517 279 HA PHE 38 HA PHE 38 -1.968 1.184 5.458 280 HB2 PHE 38 HB2 PHE 38 -0.514 2.419 3.896 281 HB3 PHE 38 HB1 PHE 38 0.786 1.274 4.209 282 HD1 PHE 38 HD2 PHE 38 -2.611 1.611 2.794 283 HD2 PHE 38 HD1 PHE 38 0.906 -0.769 3.063 284 HE1 PHE 38 HE2 PHE 38 -3.452 0.174 0.982 285 HE2 PHE 38 HE1 PHE 38 0.073 -2.211 1.250 286 HZ PHE 38 HZ PHE 38 -2.109 -1.741 0.209 287 H LYS 39 HN LYS 39 -2.511 -0.773 6.166 288 HA LYS 39 HA LYS 39 -0.363 -2.738 6.605 289 HB2 LYS 39 HB2 LYS 39 -2.969 -3.234 7.894 290 HB3 LYS 39 HB1 LYS 39 -1.340 -3.462 8.516 291 HG2 LYS 39 HG2 LYS 39 -2.539 -0.733 8.200 292 HG3 LYS 39 HG1 LYS 39 -2.804 -1.713 9.645 293 HD2 LYS 39 HD2 LYS 39 -0.073 -1.032 8.568 294 HD3 LYS 39 HD1 LYS 39 -0.904 -0.078 9.800 295 HE2 LYS 39 HE2 LYS 39 -1.056 -2.731 10.670 296 HE3 LYS 39 HE1 LYS 39 0.591 -2.525 10.074 297 HZ1 LYS 39 HZ1 LYS 39 0.693 -1.883 12.289 298 HZ2 LYS 39 HZ2 LYS 39 -0.779 -1.052 12.236 299 HZ3 LYS 39 HZ3 LYS 39 0.583 -0.407 11.468 300 H PHE 40 HN PHE 40 -0.302 -4.126 4.999 301 HA PHE 40 HA PHE 40 -2.825 -4.974 3.732 302 HB2 PHE 40 HB2 PHE 40 -1.223 -3.940 2.188 303 HB3 PHE 40 HB1 PHE 40 0.001 -5.114 2.661 304 HD1 PHE 40 HD2 PHE 40 -3.348 -4.817 1.096 305 HD2 PHE 40 HD1 PHE 40 0.173 -7.160 1.567 306 HE1 PHE 40 HE2 PHE 40 -4.136 -6.348 -0.662 307 HE2 PHE 40 HE1 PHE 40 -0.609 -8.695 -0.189 308 HZ PHE 40 HZ PHE 40 -2.767 -8.290 -1.307 309 H TYR 41 HN TYR 41 -3.554 -6.846 4.578 310 HA TYR 41 HA TYR 41 -1.572 -8.917 5.233 311 HB2 TYR 41 HB2 TYR 41 -4.375 -8.567 6.316 312 HB3 TYR 41 HB1 TYR 41 -3.225 -9.808 6.803 313 HD1 TYR 41 HD1 TYR 41 -1.262 -9.218 8.157 314 HD2 TYR 41 HD2 TYR 41 -4.192 -6.309 7.128 315 HE1 TYR 41 HE1 TYR 41 -0.385 -7.725 9.903 316 HE2 TYR 41 HE2 TYR 41 -3.322 -4.809 8.872 317 HH TYR 41 HH TYR 41 -1.740 -5.542 11.307 318 H ALA 42 HN ALA 42 -1.429 -10.267 3.557 319 HA ALA 42 HA ALA 42 -3.896 -11.523 2.586 320 HB1 ALA 42 HB1 ALA 42 -3.580 -11.016 0.419 321 HB2 ALA 42 HB2 ALA 42 -1.832 -11.225 0.526 322 HB3 ALA 42 HB3 ALA 42 -2.572 -9.707 1.034 323 H LYS 43 HN LYS 43 -3.733 -13.651 2.972 324 HA LYS 43 HA LYS 43 -2.770 -15.642 3.589 325 HB2 LYS 43 HB2 LYS 43 -1.679 -16.678 1.819 326 HB3 LYS 43 HB1 LYS 43 -2.476 -15.348 0.995 327 HG2 LYS 43 HG2 LYS 43 -0.419 -14.068 1.002 328 HG3 LYS 43 HG1 LYS 43 0.394 -15.349 1.897 329 HD2 LYS 43 HD2 LYS 43 -0.425 -16.816 -0.134 330 HD3 LYS 43 HD1 LYS 43 -0.435 -15.255 -0.956 331 HE2 LYS 43 HE2 LYS 43 1.735 -15.643 -1.337 332 HE3 LYS 43 HE1 LYS 43 1.967 -15.217 0.358 333 HZ1 LYS 43 HZ1 LYS 43 1.477 -17.708 0.745 334 HZ2 LYS 43 HZ2 LYS 43 3.012 -17.245 0.204 335 HZ3 LYS 43 HZ3 LYS 43 1.887 -17.882 -0.888 336 HA PRO 44 HA PRO 44 1.024 -15.697 5.943 337 HB2 PRO 44 HB2 PRO 44 2.713 -16.585 3.637 338 HB3 PRO 44 HB1 PRO 44 2.678 -17.182 5.301 339 HG2 PRO 44 HG2 PRO 44 1.488 -18.557 3.370 340 HG3 PRO 44 HG1 PRO 44 0.725 -18.400 4.963 341 HD2 PRO 44 HD2 PRO 44 0.042 -17.064 2.394 342 HD3 PRO 44 HD1 PRO 44 -1.022 -17.569 3.719 343 H TYR 45 HN TYR 45 0.984 -14.005 2.951 344 HA TYR 45 HA TYR 45 3.395 -12.495 3.381 345 HB2 TYR 45 HB2 TYR 45 1.143 -12.253 1.390 346 HB3 TYR 45 HB1 TYR 45 2.494 -11.131 1.438 347 HD1 TYR 45 HD1 TYR 45 4.205 -13.818 2.364 348 HD2 TYR 45 HD2 TYR 45 1.952 -12.552 -1.016 349 HE1 TYR 45 HE1 TYR 45 5.506 -15.338 0.935 350 HE2 TYR 45 HE2 TYR 45 3.245 -14.069 -2.454 351 HH TYR 45 HH TYR 45 5.391 -15.206 -2.476 352 H PHE 46 HN PHE 46 3.595 -10.721 4.567 353 HA PHE 46 HA PHE 46 1.188 -9.135 5.162 354 HB2 PHE 46 HB2 PHE 46 3.064 -8.826 7.283 355 HB3 PHE 46 HB1 PHE 46 1.437 -9.493 7.355 356 HD1 PHE 46 HD2 PHE 46 4.994 -10.334 6.852 357 HD2 PHE 46 HD1 PHE 46 1.075 -11.808 7.613 358 HE1 PHE 46 HE2 PHE 46 5.935 -12.543 7.385 359 HE2 PHE 46 HE1 PHE 46 2.009 -14.021 8.150 360 HZ PHE 46 HZ PHE 46 4.442 -14.391 8.035 361 H LEU 47 HN LEU 47 1.367 -7.094 4.508 362 HA LEU 47 HA LEU 47 4.074 -5.984 4.188 363 HB2 LEU 47 HB2 LEU 47 1.834 -6.122 2.357 364 HB3 LEU 47 HB1 LEU 47 2.360 -4.467 2.596 365 HG LEU 47 HG LEU 47 3.873 -6.767 1.413 366 HD11 LEU 47 HD11 LEU 47 4.418 -4.406 0.075 367 HD12 LEU 47 HD12 LEU 47 2.714 -4.272 0.512 368 HD13 LEU 47 HD13 LEU 47 3.280 -5.659 -0.418 369 HD21 LEU 47 HD21 LEU 47 5.605 -6.127 2.733 370 HD22 LEU 47 HD22 LEU 47 4.968 -4.500 2.975 371 HD23 LEU 47 HD23 LEU 47 5.781 -4.913 1.466 372 H ARG 48 HN ARG 48 4.481 -4.614 5.768 373 HA ARG 48 HA ARG 48 2.344 -2.788 6.658 374 HB2 ARG 48 HB2 ARG 48 3.104 -4.216 8.464 375 HB3 ARG 48 HB1 ARG 48 4.782 -3.808 8.130 376 HG2 ARG 48 HG2 ARG 48 3.426 -1.379 8.563 377 HG3 ARG 48 HG1 ARG 48 2.915 -2.492 9.833 378 HD2 ARG 48 HD2 ARG 48 5.737 -2.739 9.410 379 HD3 ARG 48 HD1 ARG 48 5.324 -1.044 9.661 380 HE ARG 48 HE ARG 48 3.992 -2.348 11.642 381 HH11 ARG 48 HH11 ARG 48 7.309 -2.249 10.592 382 HH12 ARG 48 HH12 ARG 48 7.955 -2.528 12.174 383 HH21 ARG 48 HH21 ARG 48 4.829 -2.717 13.729 384 HH22 ARG 48 HH22 ARG 48 6.543 -2.792 13.961 385 H LEU 49 HN LEU 49 2.571 -0.875 5.676 386 HA LEU 49 HA LEU 49 5.287 0.249 5.473 387 HB2 LEU 49 HB2 LEU 49 3.097 0.783 3.484 388 HB3 LEU 49 HB1 LEU 49 4.803 1.163 3.340 389 HG LEU 49 HG LEU 49 3.559 -1.585 3.251 390 HD11 LEU 49 HD11 LEU 49 3.384 -1.201 1.076 391 HD12 LEU 49 HD12 LEU 49 5.140 -1.053 0.997 392 HD13 LEU 49 HD13 LEU 49 4.144 0.381 1.251 393 HD21 LEU 49 HD21 LEU 49 6.023 -1.018 4.266 394 HD22 LEU 49 HD22 LEU 49 6.388 -1.289 2.562 395 HD23 LEU 49 HD23 LEU 49 5.571 -2.539 3.499 396 H THR 50 HN THR 50 5.578 2.217 6.285 397 HA THR 50 HA THR 50 3.215 3.704 7.209 398 HB THR 50 HB THR 50 6.097 3.913 8.102 399 HG1 THR 50 HG1 THR 50 4.180 3.255 9.961 400 HG21 THR 50 HG21 THR 50 3.999 5.800 8.292 401 HG22 THR 50 HG22 THR 50 5.596 5.864 9.038 402 HG23 THR 50 HG23 THR 50 4.249 5.124 9.902 403 H LEU 51 HN LEU 51 2.621 5.309 5.908 404 HA LEU 51 HA LEU 51 4.454 6.458 4.010 405 HB2 LEU 51 HB2 LEU 51 1.754 7.613 4.479 406 HB3 LEU 51 HB1 LEU 51 2.618 7.366 2.974 407 HG LEU 51 HG LEU 51 1.278 5.210 4.609 408 HD11 LEU 51 HD11 LEU 51 0.171 5.301 2.075 409 HD12 LEU 51 HD12 LEU 51 0.335 6.996 2.536 410 HD13 LEU 51 HD13 LEU 51 -0.566 5.884 3.568 411 HD21 LEU 51 HD21 LEU 51 1.892 4.388 1.973 412 HD22 LEU 51 HD22 LEU 51 2.509 3.745 3.494 413 HD23 LEU 51 HD23 LEU 51 3.361 5.057 2.681 414 HA PRO 52 HA PRO 52 5.819 9.976 6.293 415 HB2 PRO 52 HB2 PRO 52 5.716 11.503 3.775 416 HB3 PRO 52 HB1 PRO 52 7.107 11.097 4.784 417 HG2 PRO 52 HG2 PRO 52 6.712 9.939 2.395 418 HG3 PRO 52 HG1 PRO 52 7.426 9.058 3.757 419 HD2 PRO 52 HD2 PRO 52 4.631 8.956 2.689 420 HD3 PRO 52 HD1 PRO 52 5.666 7.636 3.275 421 H GLY 53 HN GLY 53 2.952 10.023 4.376 422 HA2 GLY 53 HA2 GLY 53 1.923 12.241 6.015 423 HA3 GLY 53 HA1 GLY 53 1.734 12.302 4.267 424 H ARG 54 HN ARG 54 -0.100 11.940 6.766 425 HA ARG 54 HA ARG 54 -1.319 9.424 6.560 426 HB2 ARG 54 HB2 ARG 54 -3.300 10.683 7.629 427 HB3 ARG 54 HB1 ARG 54 -1.789 10.584 8.523 428 HG2 ARG 54 HG2 ARG 54 -1.812 12.923 6.854 429 HG3 ARG 54 HG1 ARG 54 -3.244 12.878 7.885 430 HD2 ARG 54 HD2 ARG 54 -2.018 13.546 9.610 431 HD3 ARG 54 HD1 ARG 54 -1.025 12.096 9.462 432 HE ARG 54 HE ARG 54 -0.111 13.905 7.566 433 HH11 ARG 54 HH11 ARG 54 -0.379 13.710 11.031 434 HH12 ARG 54 HH12 ARG 54 1.022 14.686 11.325 435 HH21 ARG 54 HH21 ARG 54 1.734 15.192 7.939 436 HH22 ARG 54 HH22 ARG 54 2.224 15.529 9.566 437 H ILE 55 HN ILE 55 -3.560 9.022 5.897 438 HA ILE 55 HA ILE 55 -4.281 10.469 3.430 439 HB ILE 55 HB ILE 55 -4.515 7.505 3.974 440 HG12 ILE 55 HG12 ILE 55 -2.237 8.377 3.384 441 HG13 ILE 55 HG11 ILE 55 -2.885 7.214 2.232 442 HG21 ILE 55 HG21 ILE 55 -6.289 8.912 2.531 443 HG22 ILE 55 HG22 ILE 55 -5.836 7.247 2.165 444 HG23 ILE 55 HG23 ILE 55 -5.083 8.579 1.288 445 HD11 ILE 55 HD11 ILE 55 -3.078 10.183 1.836 446 HD12 ILE 55 HD12 ILE 55 -3.353 8.904 0.653 447 HD13 ILE 55 HD13 ILE 55 -1.725 9.215 1.253 448 H VAL 56 HN VAL 56 -6.329 11.249 3.383 449 HA VAL 56 HA VAL 56 -7.947 11.267 5.636 450 HB VAL 56 HB VAL 56 -8.175 12.884 3.798 451 HG11 VAL 56 HG11 VAL 56 -8.359 10.638 2.187 452 HG12 VAL 56 HG12 VAL 56 -8.602 12.315 1.698 453 HG13 VAL 56 HG13 VAL 56 -9.984 11.326 2.166 454 HG21 VAL 56 HG21 VAL 56 -10.620 11.381 4.689 455 HG22 VAL 56 HG22 VAL 56 -10.722 12.854 3.724 456 HG23 VAL 56 HG23 VAL 56 -9.966 12.895 5.317 457 H GLU 57 HN GLU 57 -9.909 10.284 6.172 458 HA GLU 57 HA GLU 57 -10.205 7.579 5.059 459 HB2 GLU 57 HB2 GLU 57 -11.395 8.427 7.673 460 HB3 GLU 57 HB1 GLU 57 -10.894 6.827 7.148 461 HG2 GLU 57 HG2 GLU 57 -8.513 7.859 7.151 462 HG3 GLU 57 HG1 GLU 57 -9.244 9.075 8.198 463 H ASN 58 HN ASN 58 -11.917 7.197 3.843 464 HA ASN 58 HA ASN 58 -14.501 8.301 4.514 465 HB2 ASN 58 HB2 ASN 58 -13.503 10.077 3.106 466 HB3 ASN 58 HB1 ASN 58 -13.275 8.903 1.814 467 HD21 ASN 58 HD21 ASN 58 -15.770 10.295 3.898 468 HD22 ASN 58 HD22 ASN 58 -17.030 10.250 2.717 469 H GLY 59 HN GLY 59 -12.533 6.417 2.265 470 HA2 GLY 59 HA2 GLY 59 -13.082 4.061 2.002 471 HA3 GLY 59 HA1 GLY 59 -14.779 4.514 2.059 472 H SER 60 HN SER 60 -14.039 6.906 0.298 473 HA SER 60 HA SER 60 -14.843 5.829 -2.146 474 HB2 SER 60 HB2 SER 60 -14.383 8.382 -1.135 475 HB3 SER 60 HB1 SER 60 -13.238 8.236 -2.468 476 HG SER 60 HG SER 60 -14.932 8.732 -3.620 477 H GLU 61 HN GLU 61 -11.635 7.203 -1.439 478 HA GLU 61 HA GLU 61 -9.691 6.950 -2.713 479 HB2 GLU 61 HB2 GLU 61 -8.599 4.920 -1.990 480 HB3 GLU 61 HB1 GLU 61 -9.579 5.543 -0.672 481 HG2 GLU 61 HG2 GLU 61 -11.335 3.920 -1.231 482 HG3 GLU 61 HG1 GLU 61 -10.306 3.271 -2.507 483 H GLN 62 HN GLN 62 -8.920 4.173 -3.647 484 HA GLN 62 HA GLN 62 -10.674 3.465 -5.768 485 HB2 GLN 62 HB2 GLN 62 -8.529 5.432 -6.287 486 HB3 GLN 62 HB1 GLN 62 -8.629 4.102 -7.433 487 HG2 GLN 62 HG2 GLN 62 -11.256 5.064 -6.992 488 HG3 GLN 62 HG1 GLN 62 -10.209 6.452 -7.289 489 HE21 GLN 62 HE21 GLN 62 -11.213 3.330 -8.567 490 HE22 GLN 62 HE22 GLN 62 -10.905 3.704 -10.226 491 H GLY 63 HN GLY 63 -10.045 1.532 -6.773 492 HA2 GLY 63 HA2 GLY 63 -7.404 0.454 -6.211 493 HA3 GLY 63 HA1 GLY 63 -8.738 -0.375 -5.430 494 H SER 64 HN SER 64 -6.794 -1.235 -7.510 495 HA SER 64 HA SER 64 -8.767 -2.386 -9.328 496 HB2 SER 64 HB2 SER 64 -7.185 -0.274 -10.168 497 HB3 SER 64 HB1 SER 64 -6.301 -1.689 -10.738 498 HG SER 64 HG SER 64 -7.716 -1.360 -12.328 499 H TYR 65 HN TYR 65 -8.555 -4.487 -8.956 500 HA TYR 65 HA TYR 65 -5.928 -5.602 -8.336 501 HB2 TYR 65 HB2 TYR 65 -8.749 -6.572 -8.025 502 HB3 TYR 65 HB1 TYR 65 -7.417 -7.722 -8.001 503 HD1 TYR 65 HD2 TYR 65 -5.425 -7.020 -6.375 504 HD2 TYR 65 HD1 TYR 65 -9.452 -5.697 -6.012 505 HE1 TYR 65 HE2 TYR 65 -5.046 -6.535 -3.994 506 HE2 TYR 65 HE1 TYR 65 -9.084 -5.208 -3.630 507 HH TYR 65 HH TYR 65 -7.434 -6.095 -1.803 508 H ASP 66 HN ASP 66 -4.729 -6.227 -9.999 509 HA ASP 66 HA ASP 66 -6.070 -7.399 -12.341 510 HB2 ASP 66 HB2 ASP 66 -3.832 -5.557 -12.037 511 HB3 ASP 66 HB1 ASP 66 -3.432 -6.930 -13.065 512 H ALA 67 HN ALA 67 -6.065 -9.540 -12.314 513 HA ALA 67 HA ALA 67 -4.082 -11.031 -10.840 514 HB1 ALA 67 HB1 ALA 67 -5.618 -12.798 -12.405 515 HB2 ALA 67 HB2 ALA 67 -6.711 -11.536 -11.839 516 HB3 ALA 67 HB3 ALA 67 -5.765 -12.467 -10.679 517 H ASP 68 HN ASP 68 -4.936 -10.507 -14.231 518 HA ASP 68 HA ASP 68 -3.206 -12.339 -15.409 519 HB2 ASP 68 HB2 ASP 68 -4.208 -9.656 -16.369 520 HB3 ASP 68 HB1 ASP 68 -3.278 -10.754 -17.379 521 H LYS 69 HN LYS 69 -2.665 -8.893 -14.702 522 HA LYS 69 HA LYS 69 0.127 -9.069 -15.390 523 HB2 LYS 69 HB2 LYS 69 -1.737 -7.018 -15.233 524 HB3 LYS 69 HB1 LYS 69 -0.665 -6.711 -13.875 525 HG2 LYS 69 HG2 LYS 69 1.120 -7.221 -15.859 526 HG3 LYS 69 HG1 LYS 69 -0.191 -6.445 -16.749 527 HD2 LYS 69 HD2 LYS 69 1.543 -5.352 -14.578 528 HD3 LYS 69 HD1 LYS 69 1.077 -4.624 -16.115 529 HE2 LYS 69 HE2 LYS 69 -1.329 -4.923 -14.809 530 HE3 LYS 69 HE1 LYS 69 -0.221 -4.492 -13.507 531 HZ1 LYS 69 HZ1 LYS 69 -0.912 -2.945 -15.924 532 HZ2 LYS 69 HZ2 LYS 69 0.517 -2.634 -15.075 533 HZ3 LYS 69 HZ3 LYS 69 -0.978 -2.464 -14.303 534 H GLY 70 HN GLY 70 -1.789 -9.485 -12.563 535 HA2 GLY 70 HA2 GLY 70 -1.210 -10.080 -10.417 536 HA3 GLY 70 HA1 GLY 70 0.420 -10.360 -11.015 537 H ILE 71 HN ILE 71 -1.750 -7.608 -10.400 538 HA ILE 71 HA ILE 71 0.180 -6.402 -8.630 539 HB ILE 71 HB ILE 71 -0.411 -5.146 -11.306 540 HG12 ILE 71 HG12 ILE 71 2.127 -5.983 -9.894 541 HG13 ILE 71 HG11 ILE 71 1.461 -6.655 -11.380 542 HG21 ILE 71 HG21 ILE 71 0.879 -3.888 -8.888 543 HG22 ILE 71 HG22 ILE 71 -0.682 -3.456 -9.583 544 HG23 ILE 71 HG23 ILE 71 0.799 -3.171 -10.497 545 HD11 ILE 71 HD11 ILE 71 3.041 -5.317 -12.284 546 HD12 ILE 71 HD12 ILE 71 3.006 -4.177 -10.938 547 HD13 ILE 71 HD13 ILE 71 1.743 -4.130 -12.168 548 H PHE 72 HN PHE 72 -0.841 -5.309 -7.101 549 HA PHE 72 HA PHE 72 -3.653 -4.568 -7.538 550 HB2 PHE 72 HB2 PHE 72 -3.556 -6.065 -5.726 551 HB3 PHE 72 HB1 PHE 72 -2.091 -5.332 -5.081 552 HD1 PHE 72 HD2 PHE 72 -5.042 -3.427 -6.186 553 HD2 PHE 72 HD1 PHE 72 -2.877 -4.988 -2.873 554 HE1 PHE 72 HE2 PHE 72 -6.404 -2.062 -4.658 555 HE2 PHE 72 HE1 PHE 72 -4.235 -3.627 -1.338 556 HZ PHE 72 HZ PHE 72 -6.001 -2.160 -2.231 557 H THR 73 HN THR 73 -3.858 -2.496 -8.083 558 HA THR 73 HA THR 73 -2.125 -0.511 -6.758 559 HB THR 73 HB THR 73 -3.401 0.721 -8.945 560 HG1 THR 73 HG1 THR 73 -1.996 -1.290 -10.175 561 HG21 THR 73 HG21 THR 73 -0.583 -0.290 -8.577 562 HG22 THR 73 HG22 THR 73 -1.202 1.306 -8.153 563 HG23 THR 73 HG23 THR 73 -1.089 0.825 -9.846 564 H ILE 74 HN ILE 74 -3.085 0.701 -5.269 565 HA ILE 74 HA ILE 74 -5.920 1.405 -5.636 566 HB ILE 74 HB ILE 74 -6.027 -0.237 -3.958 567 HG12 ILE 74 HG12 ILE 74 -5.918 1.644 -1.829 568 HG13 ILE 74 HG11 ILE 74 -6.478 2.507 -3.253 569 HG21 ILE 74 HG21 ILE 74 -4.495 0.104 -1.861 570 HG22 ILE 74 HG22 ILE 74 -3.471 0.959 -3.014 571 HG23 ILE 74 HG23 ILE 74 -3.893 -0.729 -3.294 572 HD11 ILE 74 HD11 ILE 74 -8.455 1.773 -2.391 573 HD12 ILE 74 HD12 ILE 74 -7.754 0.283 -1.759 574 HD13 ILE 74 HD13 ILE 74 -8.075 0.444 -3.486 575 H ARG 75 HN ARG 75 -6.181 3.521 -5.761 576 HA ARG 75 HA ARG 75 -4.125 5.344 -4.828 577 HB2 ARG 75 HB2 ARG 75 -6.761 6.070 -6.099 578 HB3 ARG 75 HB1 ARG 75 -5.287 7.028 -6.047 579 HG2 ARG 75 HG2 ARG 75 -4.209 5.242 -7.457 580 HG3 ARG 75 HG1 ARG 75 -5.819 4.550 -7.662 581 HD2 ARG 75 HD2 ARG 75 -5.603 5.898 -9.535 582 HD3 ARG 75 HD1 ARG 75 -6.490 6.930 -8.414 583 HE ARG 75 HE ARG 75 -3.736 7.392 -8.107 584 HH11 ARG 75 HH11 ARG 75 -6.309 7.912 -10.393 585 HH12 ARG 75 HH12 ARG 75 -5.589 9.328 -11.080 586 HH21 ARG 75 HH21 ARG 75 -2.778 9.257 -8.999 587 HH22 ARG 75 HH22 ARG 75 -3.577 10.093 -10.287 588 H LEU 76 HN LEU 76 -4.401 6.954 -3.288 589 HA LEU 76 HA LEU 76 -6.840 6.815 -1.664 590 HB2 LEU 76 HB2 LEU 76 -4.086 6.938 -0.465 591 HB3 LEU 76 HB1 LEU 76 -5.607 6.680 0.362 592 HG LEU 76 HG LEU 76 -4.565 4.712 -1.653 593 HD11 LEU 76 HD11 LEU 76 -2.943 4.098 -0.276 594 HD12 LEU 76 HD12 LEU 76 -4.155 3.724 0.949 595 HD13 LEU 76 HD13 LEU 76 -3.425 5.328 0.892 596 HD21 LEU 76 HD21 LEU 76 -6.893 4.937 0.038 597 HD22 LEU 76 HD22 LEU 76 -5.992 3.461 0.383 598 HD23 LEU 76 HD23 LEU 76 -6.549 3.791 -1.257 599 HA PRO 77 HA PRO 77 -6.445 11.262 -1.956 600 HB2 PRO 77 HB2 PRO 77 -8.532 11.490 0.047 601 HB3 PRO 77 HB1 PRO 77 -8.615 11.839 -1.677 602 HG2 PRO 77 HG2 PRO 77 -9.921 9.757 -0.496 603 HG3 PRO 77 HG1 PRO 77 -9.399 9.756 -2.190 604 HD2 PRO 77 HD2 PRO 77 -8.133 8.451 0.187 605 HD3 PRO 77 HD1 PRO 77 -8.314 7.848 -1.474 606 H LYS 78 HN LYS 78 -5.606 12.981 -0.718 607 HA LYS 78 HA LYS 78 -4.299 12.139 1.739 608 HB2 LYS 78 HB2 LYS 78 -3.910 14.891 0.733 609 HB3 LYS 78 HB1 LYS 78 -2.732 13.728 1.324 610 HG2 LYS 78 HG2 LYS 78 -3.038 12.483 -0.839 611 HG3 LYS 78 HG1 LYS 78 -3.974 13.869 -1.407 612 HD2 LYS 78 HD2 LYS 78 -2.110 14.979 -1.896 613 HD3 LYS 78 HD1 LYS 78 -1.519 14.778 -0.245 614 HE2 LYS 78 HE2 LYS 78 -1.255 12.725 -2.437 615 HE3 LYS 78 HE1 LYS 78 0.014 13.847 -1.949 616 HZ1 LYS 78 HZ1 LYS 78 0.574 12.065 -0.689 617 HZ2 LYS 78 HZ2 LYS 78 -1.010 11.483 -0.572 618 HZ3 LYS 78 HZ3 LYS 78 -0.515 12.785 0.388 619 H GLU 79 HN GLU 79 -4.259 13.445 3.634 620 HA GLU 79 HA GLU 79 -6.866 14.592 4.240 621 HB2 GLU 79 HB2 GLU 79 -5.912 12.953 5.796 622 HB3 GLU 79 HB1 GLU 79 -4.501 13.977 6.025 623 HG2 GLU 79 HG2 GLU 79 -7.060 15.292 6.572 624 HG3 GLU 79 HG1 GLU 79 -6.680 13.939 7.637 625 H THR 80 HN THR 80 -3.665 15.562 3.503 626 HA THR 80 HA THR 80 -4.370 18.356 4.098 627 HB THR 80 HB THR 80 -1.704 17.026 4.626 628 HG1 THR 80 HG1 THR 80 -3.139 18.610 6.465 629 HG21 THR 80 HG21 THR 80 -1.992 19.563 3.649 630 HG22 THR 80 HG22 THR 80 -0.649 19.007 4.647 631 HG23 THR 80 HG23 THR 80 -2.017 19.834 5.390 632 HA PRO 81 HA PRO 81 -3.755 17.989 -0.460 633 HB2 PRO 81 HB2 PRO 81 -4.411 20.862 0.023 634 HB3 PRO 81 HB1 PRO 81 -5.003 19.769 -1.232 635 HG2 PRO 81 HG2 PRO 81 -6.475 20.410 0.935 636 HG3 PRO 81 HG1 PRO 81 -6.586 18.833 0.139 637 HD2 PRO 81 HD2 PRO 81 -5.430 19.533 2.750 638 HD3 PRO 81 HD1 PRO 81 -5.964 17.957 2.140 639 H GLY 82 HN GLY 82 -1.982 18.485 -1.665 640 HA2 GLY 82 HA2 GLY 82 -0.110 19.719 -2.328 641 HA3 GLY 82 HA1 GLY 82 -0.237 20.669 -0.858 642 H GLN 83 HN GLN 83 -0.489 17.617 0.233 643 HA GLN 83 HA GLN 83 2.258 17.573 1.099 644 HB2 GLN 83 HB2 GLN 83 0.176 16.897 2.469 645 HB3 GLN 83 HB1 GLN 83 0.258 15.380 1.587 646 HG2 GLN 83 HG2 GLN 83 2.354 14.850 2.499 647 HG3 GLN 83 HG1 GLN 83 2.589 16.483 3.115 648 HE21 GLN 83 HE21 GLN 83 0.005 14.054 3.326 649 HE22 GLN 83 HE22 GLN 83 -0.142 14.113 5.046 650 H HIS 84 HN HIS 84 3.870 16.374 0.292 651 HA HIS 84 HA HIS 84 3.183 14.291 -1.669 652 HB2 HIS 84 HB2 HIS 84 3.980 16.144 -2.950 653 HB3 HIS 84 HB1 HIS 84 5.333 16.401 -1.854 654 HD1 HIS 84 HD1 HIS 84 4.839 15.272 -5.088 655 HD2 HIS 84 HD2 HIS 84 6.885 13.673 -1.844 656 HE1 HIS 84 HE1 HIS 84 6.492 13.652 -6.069 657 HE2 HIS 84 HE2 HIS 84 7.664 12.638 -4.083 658 H PHE 85 HN PHE 85 3.975 12.369 -1.201 659 HA PHE 85 HA PHE 85 5.924 12.087 0.927 660 HB2 PHE 85 HB2 PHE 85 4.623 9.857 -0.628 661 HB3 PHE 85 HB1 PHE 85 5.282 9.813 1.000 662 HD1 PHE 85 HD1 PHE 85 3.815 12.729 1.367 663 HD2 PHE 85 HD2 PHE 85 2.635 8.738 0.458 664 HE1 PHE 85 HE1 PHE 85 1.584 13.177 2.283 665 HE2 PHE 85 HE2 PHE 85 0.402 9.187 1.374 666 HZ PHE 85 HZ PHE 85 -0.129 11.410 2.288 667 H GLU 86 HN GLU 86 7.874 12.719 0.013 668 HA GLU 86 HA GLU 86 8.787 12.086 -2.532 669 HB2 GLU 86 HB2 GLU 86 9.885 13.226 -0.092 670 HB3 GLU 86 HB1 GLU 86 11.081 12.321 -1.008 671 HG2 GLU 86 HG2 GLU 86 9.368 14.225 -2.494 672 HG3 GLU 86 HG1 GLU 86 10.610 14.886 -1.434 673 H GLY 87 HN GLY 87 9.555 10.364 -3.454 674 HA2 GLY 87 HA2 GLY 87 10.001 8.096 -3.706 675 HA3 GLY 87 HA1 GLY 87 11.418 8.600 -2.807 676 H LEU 88 HN LEU 88 8.004 7.834 -2.008 677 HA LEU 88 HA LEU 88 8.403 6.954 0.560 678 HB2 LEU 88 HB2 LEU 88 6.536 5.505 -1.287 679 HB3 LEU 88 HB1 LEU 88 6.347 5.835 0.420 680 HG LEU 88 HG LEU 88 6.396 8.361 -0.521 681 HD11 LEU 88 HD11 LEU 88 6.400 7.052 -2.865 682 HD12 LEU 88 HD12 LEU 88 5.632 8.623 -2.631 683 HD13 LEU 88 HD13 LEU 88 4.661 7.151 -2.580 684 HD21 LEU 88 HD21 LEU 88 3.743 7.741 -0.745 685 HD22 LEU 88 HD22 LEU 88 4.588 8.092 0.764 686 HD23 LEU 88 HD23 LEU 88 4.357 6.421 0.251 687 H ASN 89 HN ASN 89 9.414 5.447 -2.372 688 HA ASN 89 HA ASN 89 9.716 2.812 -1.251 689 HB2 ASN 89 HB2 ASN 89 9.259 3.214 -3.671 690 HB3 ASN 89 HB1 ASN 89 10.867 3.917 -3.820 691 HD21 ASN 89 HD21 ASN 89 9.338 0.991 -2.511 692 HD22 ASN 89 HD22 ASN 89 10.521 -0.107 -3.128 693 H MET 90 HN MET 90 11.223 5.367 -0.272 694 HA MET 90 HA MET 90 13.919 4.198 -0.346 695 HB2 MET 90 HB2 MET 90 14.833 6.360 -0.018 696 HB3 MET 90 HB1 MET 90 13.593 6.544 -1.250 697 HG2 MET 90 HG2 MET 90 12.461 7.998 -0.021 698 HG3 MET 90 HG1 MET 90 12.522 6.957 1.400 699 HE1 MET 90 HE1 MET 90 12.644 9.999 0.517 700 HE2 MET 90 HE2 MET 90 14.272 10.551 0.124 701 HE3 MET 90 HE3 MET 90 13.632 10.785 1.750 702 H LEU 91 HN LEU 91 11.319 5.322 1.683 703 HA LEU 91 HA LEU 91 12.402 5.601 4.154 704 HB2 LEU 91 HB2 LEU 91 9.851 4.337 3.227 705 HB3 LEU 91 HB1 LEU 91 10.262 4.300 4.933 706 HG LEU 91 HG LEU 91 9.877 6.765 3.235 707 HD11 LEU 91 HD11 LEU 91 8.035 5.141 4.571 708 HD12 LEU 91 HD12 LEU 91 7.765 6.754 3.910 709 HD13 LEU 91 HD13 LEU 91 8.251 6.562 5.595 710 HD21 LEU 91 HD21 LEU 91 10.003 7.795 5.643 711 HD22 LEU 91 HD22 LEU 91 11.470 7.504 4.708 712 HD23 LEU 91 HD23 LEU 91 10.989 6.371 5.971 713 H THR 92 HN THR 92 12.629 4.108 5.998 714 HA THR 92 HA THR 92 13.031 1.307 5.353 715 HB THR 92 HB THR 92 15.313 2.680 6.725 716 HG1 THR 92 HG1 THR 92 15.427 2.205 3.949 717 HG21 THR 92 HG21 THR 92 15.434 0.337 6.854 718 HG22 THR 92 HG22 THR 92 16.523 0.770 5.536 719 HG23 THR 92 HG23 THR 92 14.916 0.133 5.181 720 H ALA 93 HN ALA 93 13.214 -0.035 7.249 721 HA ALA 93 HA ALA 93 11.737 1.016 9.482 722 HB1 ALA 93 HB1 ALA 93 12.719 -1.665 8.670 723 HB2 ALA 93 HB2 ALA 93 11.114 -1.156 9.192 724 HB3 ALA 93 HB3 ALA 93 12.394 -1.393 10.383 725 H LEU 94 HN LEU 94 12.688 2.221 10.984 726 HA LEU 94 HA LEU 94 15.381 1.447 11.901 727 HB2 LEU 94 HB2 LEU 94 15.732 3.876 12.406 728 HB3 LEU 94 HB1 LEU 94 15.673 3.467 10.700 729 HG LEU 94 HG LEU 94 13.109 4.298 11.910 730 HD11 LEU 94 HD11 LEU 94 14.585 5.856 13.018 731 HD12 LEU 94 HD12 LEU 94 13.692 6.685 11.744 732 HD13 LEU 94 HD13 LEU 94 15.379 6.235 11.490 733 HD21 LEU 94 HD21 LEU 94 14.138 3.914 9.366 734 HD22 LEU 94 HD22 LEU 94 14.032 5.667 9.534 735 HD23 LEU 94 HD23 LEU 94 12.599 4.669 9.778 736 H LEU 95 HN LEU 95 15.115 0.554 13.879 737 HA LEU 95 HA LEU 95 13.092 1.684 15.659 738 HB2 LEU 95 HB2 LEU 95 14.639 -0.891 15.650 739 HB3 LEU 95 HB1 LEU 95 13.788 -0.351 17.084 740 HG LEU 95 HG LEU 95 11.685 -0.601 16.087 741 HD11 LEU 95 HD11 LEU 95 11.259 -0.807 13.756 742 HD12 LEU 95 HD12 LEU 95 12.978 -0.967 13.395 743 HD13 LEU 95 HD13 LEU 95 12.338 0.570 13.976 744 HD21 LEU 95 HD21 LEU 95 13.616 -2.770 15.513 745 HD22 LEU 95 HD22 LEU 95 12.024 -2.891 14.766 746 HD23 LEU 95 HD23 LEU 95 12.167 -2.775 16.519 747 H ALA 96 HN ALA 96 13.784 3.321 16.869 748 HA ALA 96 HA ALA 96 15.070 4.617 18.230 749 HB1 ALA 96 HB1 ALA 96 16.652 2.279 19.154 750 HB2 ALA 96 HB2 ALA 96 14.915 2.286 19.464 751 HB3 ALA 96 HB3 ALA 96 15.927 3.594 20.081 Start of MODEL 5 1 H MET 1 H MET 1 10.066 -19.171 -1.037 2 HA MET 1 HA MET 1 8.237 -17.687 -1.069 3 HB2 MET 1 HB2 MET 1 8.587 -17.944 1.793 4 HB3 MET 1 HB1 MET 1 8.549 -16.251 1.320 5 HG2 MET 1 HG2 MET 1 6.332 -16.872 1.828 6 HG3 MET 1 HG1 MET 1 6.435 -16.743 0.073 7 HE1 MET 1 HE1 MET 1 5.432 -19.325 -1.474 8 HE2 MET 1 HE2 MET 1 4.893 -17.769 -0.841 9 HE3 MET 1 HE3 MET 1 4.061 -19.250 -0.366 10 H LEU 2 HN LEU 2 8.774 -15.873 -2.125 11 HA LEU 2 HA LEU 2 11.418 -14.696 -1.567 12 HB2 LEU 2 HB2 LEU 2 9.875 -14.683 -4.162 13 HB3 LEU 2 HB1 LEU 2 11.468 -13.997 -3.907 14 HG LEU 2 HG LEU 2 11.335 -16.823 -3.195 15 HD11 LEU 2 HD11 LEU 2 10.534 -17.757 -5.055 16 HD12 LEU 2 HD12 LEU 2 11.369 -16.602 -6.095 17 HD13 LEU 2 HD13 LEU 2 9.805 -16.185 -5.391 18 HD21 LEU 2 HD21 LEU 2 13.072 -15.763 -5.346 19 HD22 LEU 2 HD22 LEU 2 13.459 -16.827 -3.993 20 HD23 LEU 2 HD23 LEU 2 13.292 -15.091 -3.730 21 H THR 3 HN THR 3 11.620 -12.498 -1.361 22 HA THR 3 HA THR 3 9.381 -11.040 -0.465 23 HB THR 3 HB THR 3 11.629 -10.497 0.308 24 HG1 THR 3 HG1 THR 3 11.382 -8.091 -0.756 25 HG21 THR 3 HG21 THR 3 12.576 -10.914 -2.093 26 HG22 THR 3 HG22 THR 3 13.357 -9.746 -1.025 27 HG23 THR 3 HG23 THR 3 12.273 -9.188 -2.299 28 HA PRO 4 HA PRO 4 7.645 -9.959 -4.439 29 HB2 PRO 4 HB2 PRO 4 5.908 -8.074 -3.431 30 HB3 PRO 4 HB1 PRO 4 5.586 -9.810 -3.468 31 HG2 PRO 4 HG2 PRO 4 6.590 -8.117 -1.215 32 HG3 PRO 4 HG1 PRO 4 5.397 -9.430 -1.186 33 HD2 PRO 4 HD2 PRO 4 7.920 -9.818 -0.369 34 HD3 PRO 4 HD1 PRO 4 7.026 -11.080 -1.244 35 H ALA 5 HN ALA 5 7.699 -8.220 -5.872 36 HA ALA 5 HA ALA 5 9.585 -6.107 -5.134 37 HB1 ALA 5 HB1 ALA 5 9.353 -7.677 -7.407 38 HB2 ALA 5 HB2 ALA 5 10.363 -6.243 -7.216 39 HB3 ALA 5 HB3 ALA 5 8.747 -6.099 -7.907 40 H PHE 6 HN PHE 6 7.737 -5.186 -3.821 41 HA PHE 6 HA PHE 6 5.574 -3.961 -5.238 42 HB2 PHE 6 HB2 PHE 6 4.943 -3.073 -3.077 43 HB3 PHE 6 HB1 PHE 6 5.382 -4.765 -2.902 44 HD1 PHE 6 HD2 PHE 6 7.656 -5.335 -1.972 45 HD2 PHE 6 HD1 PHE 6 6.036 -1.398 -1.862 46 HE1 PHE 6 HE2 PHE 6 9.257 -4.728 -0.207 47 HE2 PHE 6 HE1 PHE 6 7.635 -0.787 -0.095 48 HZ PHE 6 HZ PHE 6 9.249 -2.452 0.735 49 H ASP 7 HN ASP 7 5.141 -1.654 -5.192 50 HA ASP 7 HA ASP 7 7.442 0.110 -4.912 51 HB2 ASP 7 HB2 ASP 7 7.340 -0.775 -7.309 52 HB3 ASP 7 HB1 ASP 7 5.844 0.139 -7.472 53 H LEU 8 HN LEU 8 6.880 2.255 -4.497 54 HA LEU 8 HA LEU 8 3.993 2.715 -4.143 55 HB2 LEU 8 HB2 LEU 8 6.007 4.257 -2.582 56 HB3 LEU 8 HB1 LEU 8 4.360 3.831 -2.163 57 HG LEU 8 HG LEU 8 6.542 1.766 -2.305 58 HD11 LEU 8 HD11 LEU 8 6.950 2.027 0.023 59 HD12 LEU 8 HD12 LEU 8 5.667 3.227 0.177 60 HD13 LEU 8 HD13 LEU 8 7.134 3.614 -0.722 61 HD21 LEU 8 HD21 LEU 8 4.924 0.751 -0.566 62 HD22 LEU 8 HD22 LEU 8 4.483 0.697 -2.272 63 HD23 LEU 8 HD23 LEU 8 3.758 1.906 -1.212 64 H SER 9 HN SER 9 3.088 4.534 -4.889 65 HA SER 9 HA SER 9 4.770 6.675 -5.951 66 HB2 SER 9 HB2 SER 9 3.292 4.779 -7.573 67 HB3 SER 9 HB1 SER 9 2.685 6.417 -7.818 68 HG SER 9 HG SER 9 4.336 6.375 -9.182 69 H GLN 10 HN GLN 10 3.897 8.682 -5.581 70 HA GLN 10 HA GLN 10 1.101 8.732 -4.678 71 HB2 GLN 10 HB2 GLN 10 1.605 9.946 -2.781 72 HB3 GLN 10 HB1 GLN 10 2.968 8.843 -2.874 73 HG2 GLN 10 HG2 GLN 10 3.036 11.640 -3.970 74 HG3 GLN 10 HG1 GLN 10 3.520 11.226 -2.328 75 HE21 GLN 10 HE21 GLN 10 5.494 12.308 -3.358 76 HE22 GLN 10 HE22 GLN 10 6.656 11.240 -4.061 77 H ASP 11 HN ASP 11 -0.102 10.478 -5.153 78 HA ASP 11 HA ASP 11 1.036 12.386 -7.074 79 HB2 ASP 11 HB2 ASP 11 -1.406 10.858 -7.030 80 HB3 ASP 11 HB1 ASP 11 -1.782 12.577 -7.072 81 HA PRO 12 HA PRO 12 0.438 15.826 -4.409 82 HB2 PRO 12 HB2 PRO 12 -0.776 17.662 -6.035 83 HB3 PRO 12 HB1 PRO 12 0.942 17.266 -6.099 84 HG2 PRO 12 HG2 PRO 12 -1.291 16.273 -7.826 85 HG3 PRO 12 HG1 PRO 12 0.343 16.781 -8.291 86 HD2 PRO 12 HD2 PRO 12 -0.325 14.185 -8.076 87 HD3 PRO 12 HD1 PRO 12 1.291 14.774 -7.633 88 H ASP 13 HN ASP 13 -2.214 14.067 -5.469 89 HA ASP 13 HA ASP 13 -3.949 15.465 -3.576 90 HB2 ASP 13 HB2 ASP 13 -4.795 14.551 -6.331 91 HB3 ASP 13 HB1 ASP 13 -5.878 15.176 -5.091 92 H PHE 14 HN PHE 14 -2.353 12.807 -4.091 93 HA PHE 14 HA PHE 14 -3.976 11.143 -2.468 94 HB2 PHE 14 HB2 PHE 14 -3.701 10.093 -5.286 95 HB3 PHE 14 HB1 PHE 14 -4.615 9.393 -3.963 96 HD1 PHE 14 HD2 PHE 14 -4.523 12.119 -6.432 97 HD2 PHE 14 HD1 PHE 14 -6.841 10.061 -3.516 98 HE1 PHE 14 HE2 PHE 14 -6.548 13.256 -7.245 99 HE2 PHE 14 HE1 PHE 14 -8.871 11.190 -4.327 100 HZ PHE 14 HZ PHE 14 -8.726 12.791 -6.194 101 H LEU 15 HN LEU 15 -3.137 8.834 -2.455 102 HA LEU 15 HA LEU 15 -0.288 8.637 -3.127 103 HB2 LEU 15 HB2 LEU 15 -0.077 9.136 -0.847 104 HB3 LEU 15 HB1 LEU 15 -1.541 8.271 -0.423 105 HG LEU 15 HG LEU 15 0.660 7.227 0.301 106 HD11 LEU 15 HD11 LEU 15 -0.407 5.264 0.406 107 HD12 LEU 15 HD12 LEU 15 -0.594 5.164 -1.344 108 HD13 LEU 15 HD13 LEU 15 -1.735 6.111 -0.389 109 HD21 LEU 15 HD21 LEU 15 2.118 7.401 -1.473 110 HD22 LEU 15 HD22 LEU 15 0.883 7.003 -2.666 111 HD23 LEU 15 HD23 LEU 15 1.561 5.737 -1.643 112 H THR 16 HN THR 16 -0.108 6.852 -4.423 113 HA THR 16 HA THR 16 -2.077 4.719 -4.016 114 HB THR 16 HB THR 16 -0.378 5.242 -6.462 115 HG1 THR 16 HG1 THR 16 -2.614 6.486 -5.637 116 HG21 THR 16 HG21 THR 16 -2.863 3.562 -6.268 117 HG22 THR 16 HG22 THR 16 -1.253 2.893 -5.999 118 HG23 THR 16 HG23 THR 16 -1.663 3.606 -7.560 119 H ILE 17 HN ILE 17 -1.407 2.557 -4.063 120 HA ILE 17 HA ILE 17 1.468 2.126 -3.608 121 HB ILE 17 HB ILE 17 -0.764 0.681 -2.173 122 HG12 ILE 17 HG12 ILE 17 0.938 3.045 -1.385 123 HG13 ILE 17 HG11 ILE 17 -0.813 2.891 -1.321 124 HG21 ILE 17 HG21 ILE 17 2.112 0.278 -2.404 125 HG22 ILE 17 HG22 ILE 17 0.858 -0.815 -1.823 126 HG23 ILE 17 HG23 ILE 17 1.561 0.376 -0.731 127 HD11 ILE 17 HD11 ILE 17 -0.493 1.170 0.474 128 HD12 ILE 17 HD12 ILE 17 -0.014 2.814 0.900 129 HD13 ILE 17 HD13 ILE 17 1.213 1.616 0.490 130 H ALA 18 HN ALA 18 2.290 0.070 -4.266 131 HA ALA 18 HA ALA 18 0.500 -1.488 -6.002 132 HB1 ALA 18 HB1 ALA 18 3.184 -0.359 -6.738 133 HB2 ALA 18 HB2 ALA 18 1.640 -0.151 -7.565 134 HB3 ALA 18 HB3 ALA 18 2.456 -1.714 -7.600 135 H ILE 19 HN ILE 19 0.434 -3.482 -5.238 136 HA ILE 19 HA ILE 19 2.918 -4.673 -4.191 137 HB ILE 19 HB ILE 19 0.197 -5.598 -3.339 138 HG12 ILE 19 HG12 ILE 19 1.807 -3.443 -1.955 139 HG13 ILE 19 HG11 ILE 19 0.397 -3.125 -2.960 140 HG21 ILE 19 HG21 ILE 19 2.057 -7.039 -2.807 141 HG22 ILE 19 HG22 ILE 19 1.457 -6.290 -1.327 142 HG23 ILE 19 HG23 ILE 19 2.935 -5.692 -2.081 143 HD11 ILE 19 HD11 ILE 19 0.569 -4.301 -0.247 144 HD12 ILE 19 HD12 ILE 19 -0.730 -4.842 -1.310 145 HD13 ILE 19 HD13 ILE 19 -0.572 -3.131 -0.909 146 H ARG 20 HN ARG 20 3.638 -6.404 -5.243 147 HA ARG 20 HA ARG 20 2.046 -7.562 -7.366 148 HB2 ARG 20 HB2 ARG 20 4.442 -7.056 -7.698 149 HB3 ARG 20 HB1 ARG 20 4.851 -8.233 -6.458 150 HG2 ARG 20 HG2 ARG 20 3.277 -9.678 -8.190 151 HG3 ARG 20 HG1 ARG 20 4.201 -8.623 -9.261 152 HD2 ARG 20 HD2 ARG 20 5.952 -9.641 -7.260 153 HD3 ARG 20 HD1 ARG 20 5.048 -10.991 -7.948 154 HE ARG 20 HE ARG 20 5.888 -9.553 -10.113 155 HH11 ARG 20 HH11 ARG 20 7.453 -11.042 -7.380 156 HH12 ARG 20 HH12 ARG 20 8.930 -11.354 -8.230 157 HH21 ARG 20 HH21 ARG 20 7.830 -9.959 -11.243 158 HH22 ARG 20 HH22 ARG 20 9.145 -10.737 -10.426 159 H VAL 21 HN VAL 21 0.788 -9.270 -7.124 160 HA VAL 21 HA VAL 21 1.568 -11.449 -5.366 161 HB VAL 21 HB VAL 21 -0.537 -11.542 -4.173 162 HG11 VAL 21 HG11 VAL 21 -0.291 -9.596 -2.742 163 HG12 VAL 21 HG12 VAL 21 0.651 -8.777 -3.986 164 HG13 VAL 21 HG13 VAL 21 1.293 -10.220 -3.204 165 HG21 VAL 21 HG21 VAL 21 -1.260 -8.984 -5.602 166 HG22 VAL 21 HG22 VAL 21 -2.218 -9.793 -4.361 167 HG23 VAL 21 HG23 VAL 21 -1.959 -10.572 -5.922 168 H SER 22 HN SER 22 0.549 -13.426 -5.867 169 HA SER 22 HA SER 22 -1.292 -13.422 -8.143 170 HB2 SER 22 HB2 SER 22 -0.005 -15.096 -9.343 171 HB3 SER 22 HB1 SER 22 1.013 -13.689 -9.039 172 HG SER 22 HG SER 22 2.208 -15.457 -8.485 173 H TYR 23 HN TYR 23 0.494 -15.642 -5.993 174 HA TYR 23 HA TYR 23 -1.339 -17.731 -6.064 175 HB2 TYR 23 HB2 TYR 23 0.627 -16.885 -3.941 176 HB3 TYR 23 HB1 TYR 23 -0.330 -18.356 -3.813 177 HD1 TYR 23 HD1 TYR 23 0.307 -17.836 -7.202 178 HD2 TYR 23 HD2 TYR 23 2.228 -19.124 -3.629 179 HE1 TYR 23 HE1 TYR 23 1.983 -19.038 -8.542 180 HE2 TYR 23 HE2 TYR 23 3.909 -20.328 -4.960 181 HH TYR 23 HH TYR 23 3.650 -21.296 -7.813 182 H ALA 24 HN ALA 24 -1.050 -15.152 -3.623 183 HA ALA 24 HA ALA 24 -2.478 -14.576 -1.903 184 HB1 ALA 24 HB1 ALA 24 -3.427 -13.779 -4.349 185 HB2 ALA 24 HB2 ALA 24 -4.028 -13.229 -2.785 186 HB3 ALA 24 HB3 ALA 24 -4.834 -14.555 -3.624 187 H ARG 25 HN ARG 25 -2.724 -16.212 -0.459 188 HA ARG 25 HA ARG 25 -4.337 -18.518 -1.018 189 HB2 ARG 25 HB2 ARG 25 -2.436 -17.726 0.973 190 HB3 ARG 25 HB1 ARG 25 -3.892 -18.307 1.769 191 HG2 ARG 25 HG2 ARG 25 -2.328 -19.810 -0.320 192 HG3 ARG 25 HG1 ARG 25 -2.258 -20.091 1.421 193 HD2 ARG 25 HD2 ARG 25 -4.904 -20.258 1.046 194 HD3 ARG 25 HD1 ARG 25 -4.354 -20.797 -0.540 195 HE ARG 25 HE ARG 25 -2.875 -22.213 1.313 196 HH11 ARG 25 HH11 ARG 25 -6.236 -21.837 0.481 197 HH12 ARG 25 HH12 ARG 25 -6.672 -23.439 0.975 198 HH21 ARG 25 HH21 ARG 25 -3.438 -24.327 1.963 199 HH22 ARG 25 HH22 ARG 25 -5.081 -24.855 1.815 200 H VAL 26 HN VAL 26 -5.315 -15.498 -0.579 201 HA VAL 26 HA VAL 26 -7.745 -16.326 0.861 202 HB VAL 26 HB VAL 26 -7.880 -13.825 1.527 203 HG11 VAL 26 HG11 VAL 26 -5.818 -15.559 2.878 204 HG12 VAL 26 HG12 VAL 26 -7.561 -15.758 3.058 205 HG13 VAL 26 HG13 VAL 26 -6.780 -14.276 3.611 206 HG21 VAL 26 HG21 VAL 26 -5.825 -13.339 0.053 207 HG22 VAL 26 HG22 VAL 26 -4.888 -13.995 1.395 208 HG23 VAL 26 HG23 VAL 26 -5.912 -12.580 1.643 209 H SER 27 HN SER 27 -9.635 -15.846 -0.113 210 HA SER 27 HA SER 27 -9.726 -15.139 -2.806 211 HB2 SER 27 HB2 SER 27 -11.660 -16.213 -2.229 212 HB3 SER 27 HB1 SER 27 -11.731 -15.459 -0.638 213 HG SER 27 HG SER 27 -12.945 -14.724 -2.936 214 H GLU 28 HN GLU 28 -10.201 -13.152 0.090 215 HA GLU 28 HA GLU 28 -10.026 -10.769 -1.629 216 HB2 GLU 28 HB2 GLU 28 -12.203 -10.591 -0.867 217 HB3 GLU 28 HB1 GLU 28 -11.847 -11.391 0.657 218 HG2 GLU 28 HG2 GLU 28 -10.771 -9.416 1.502 219 HG3 GLU 28 HG1 GLU 28 -10.941 -8.612 -0.059 220 H PHE 29 HN PHE 29 -8.614 -9.180 -0.995 221 HA PHE 29 HA PHE 29 -6.685 -9.939 1.022 222 HB2 PHE 29 HB2 PHE 29 -6.593 -7.339 -0.467 223 HB3 PHE 29 HB1 PHE 29 -5.263 -8.337 0.107 224 HD1 PHE 29 HD2 PHE 29 -6.797 -10.896 -1.086 225 HD2 PHE 29 HD1 PHE 29 -5.410 -7.180 -2.630 226 HE1 PHE 29 HE2 PHE 29 -6.588 -11.908 -3.318 227 HE2 PHE 29 HE1 PHE 29 -5.196 -8.185 -4.866 228 HZ PHE 29 HZ PHE 29 -5.785 -10.552 -5.213 229 H ASP 30 HN ASP 30 -5.946 -8.444 2.671 230 HA ASP 30 HA ASP 30 -8.177 -6.868 3.767 231 HB2 ASP 30 HB2 ASP 30 -5.911 -8.323 5.133 232 HB3 ASP 30 HB1 ASP 30 -6.960 -7.183 5.971 233 H VAL 31 HN VAL 31 -7.914 -4.762 3.410 234 HA VAL 31 HA VAL 31 -5.198 -3.644 3.644 235 HB VAL 31 HB VAL 31 -7.475 -2.716 1.892 236 HG11 VAL 31 HG11 VAL 31 -5.972 -0.938 1.143 237 HG12 VAL 31 HG12 VAL 31 -4.779 -1.442 2.341 238 HG13 VAL 31 HG13 VAL 31 -6.335 -0.795 2.863 239 HG21 VAL 31 HG21 VAL 31 -6.543 -4.102 0.419 240 HG22 VAL 31 HG22 VAL 31 -5.170 -4.413 1.484 241 HG23 VAL 31 HG23 VAL 31 -5.151 -3.019 0.402 242 H TYR 32 HN TYR 32 -4.927 -2.459 5.391 243 HA TYR 32 HA TYR 32 -7.227 -0.966 6.474 244 HB2 TYR 32 HB2 TYR 32 -4.896 -2.259 7.895 245 HB3 TYR 32 HB1 TYR 32 -5.962 -1.095 8.672 246 HD1 TYR 32 HD1 TYR 32 -6.174 -4.273 6.712 247 HD2 TYR 32 HD2 TYR 32 -7.743 -1.913 9.886 248 HE1 TYR 32 HE1 TYR 32 -7.716 -6.096 7.295 249 HE2 TYR 32 HE2 TYR 32 -9.290 -3.731 10.478 250 HH TYR 32 HH TYR 32 -10.163 -6.093 8.598 251 H PHE 33 HN PHE 33 -7.022 1.134 5.993 252 HA PHE 33 HA PHE 33 -4.333 2.313 6.157 253 HB2 PHE 33 HB2 PHE 33 -4.839 3.803 4.380 254 HB3 PHE 33 HB1 PHE 33 -5.351 2.208 3.844 255 HD1 PHE 33 HD1 PHE 33 -7.812 1.624 4.007 256 HD2 PHE 33 HD2 PHE 33 -6.327 5.590 4.424 257 HE1 PHE 33 HE1 PHE 33 -10.052 2.511 3.512 258 HE2 PHE 33 HE2 PHE 33 -8.565 6.484 3.932 259 HZ PHE 33 HZ PHE 33 -10.431 4.944 3.474 260 H GLU 34 HN GLU 34 -4.141 3.513 7.918 261 HA GLU 34 HA GLU 34 -6.337 5.321 8.642 262 HB2 GLU 34 HB2 GLU 34 -5.688 4.793 11.088 263 HB3 GLU 34 HB1 GLU 34 -6.707 3.650 10.223 264 HG2 GLU 34 HG2 GLU 34 -4.272 2.653 9.646 265 HG3 GLU 34 HG1 GLU 34 -3.960 3.358 11.232 266 H GLY 35 HN GLY 35 -5.453 7.254 8.263 267 HA2 GLY 35 HA2 GLY 35 -3.825 8.907 8.120 268 HA3 GLY 35 HA1 GLY 35 -3.842 8.645 9.854 269 H SER 36 HN SER 36 -2.176 7.987 6.863 270 HA SER 36 HA SER 36 -0.001 7.540 6.403 271 HB2 SER 36 HB2 SER 36 1.185 7.610 9.022 272 HB3 SER 36 HB1 SER 36 1.384 8.733 7.677 273 HG SER 36 HG SER 36 -0.227 9.967 8.444 274 H ASP 37 HN ASP 37 -1.864 5.541 8.258 275 HA ASP 37 HA ASP 37 0.254 3.513 8.467 276 HB2 ASP 37 HB2 ASP 37 -0.838 3.954 10.591 277 HB3 ASP 37 HB1 ASP 37 -2.421 3.696 9.866 278 H PHE 38 HN PHE 38 0.271 1.974 6.962 279 HA PHE 38 HA PHE 38 -2.291 1.175 5.756 280 HB2 PHE 38 HB2 PHE 38 -1.290 2.509 4.070 281 HB3 PHE 38 HB1 PHE 38 0.300 1.807 4.350 282 HD1 PHE 38 HD1 PHE 38 0.808 -0.462 3.563 283 HD2 PHE 38 HD2 PHE 38 -2.892 1.441 2.667 284 HE1 PHE 38 HE1 PHE 38 0.397 -2.108 1.782 285 HE2 PHE 38 HE2 PHE 38 -3.310 -0.204 0.884 286 HZ PHE 38 HZ PHE 38 -1.664 -1.981 0.441 287 H LYS 39 HN LYS 39 -2.684 -0.907 6.015 288 HA LYS 39 HA LYS 39 -0.407 -2.766 6.214 289 HB2 LYS 39 HB2 LYS 39 -3.004 -3.233 7.650 290 HB3 LYS 39 HB1 LYS 39 -1.431 -3.954 7.958 291 HG2 LYS 39 HG2 LYS 39 -1.434 -1.062 8.280 292 HG3 LYS 39 HG1 LYS 39 -2.560 -1.886 9.361 293 HD2 LYS 39 HD2 LYS 39 -0.814 -3.256 10.248 294 HD3 LYS 39 HD1 LYS 39 0.328 -2.683 9.031 295 HE2 LYS 39 HE2 LYS 39 0.572 -0.618 10.043 296 HE3 LYS 39 HE1 LYS 39 -0.980 -0.728 10.874 297 HZ1 LYS 39 HZ1 LYS 39 0.467 -2.810 11.879 298 HZ2 LYS 39 HZ2 LYS 39 0.200 -1.325 12.645 299 HZ3 LYS 39 HZ3 LYS 39 1.610 -1.569 11.744 300 H PHE 40 HN PHE 40 -0.438 -4.419 4.832 301 HA PHE 40 HA PHE 40 -2.976 -5.068 3.479 302 HB2 PHE 40 HB2 PHE 40 -1.454 -3.875 1.969 303 HB3 PHE 40 HB1 PHE 40 -0.191 -5.055 2.295 304 HD1 PHE 40 HD2 PHE 40 -3.437 -4.505 0.660 305 HD2 PHE 40 HD1 PHE 40 -0.176 -7.179 1.226 306 HE1 PHE 40 HE2 PHE 40 -4.241 -5.876 -1.218 307 HE2 PHE 40 HE1 PHE 40 -0.971 -8.554 -0.653 308 HZ PHE 40 HZ PHE 40 -3.007 -7.903 -1.877 309 H TYR 41 HN TYR 41 -3.631 -7.003 4.176 310 HA TYR 41 HA TYR 41 -1.594 -9.088 4.611 311 HB2 TYR 41 HB2 TYR 41 -4.348 -9.091 5.831 312 HB3 TYR 41 HB1 TYR 41 -2.942 -10.036 6.313 313 HD1 TYR 41 HD1 TYR 41 -4.365 -6.617 6.268 314 HD2 TYR 41 HD2 TYR 41 -1.394 -9.195 7.890 315 HE1 TYR 41 HE1 TYR 41 -3.798 -4.904 7.937 316 HE2 TYR 41 HE2 TYR 41 -0.818 -7.488 9.563 317 HH TYR 41 HH TYR 41 -2.426 -4.324 9.591 318 H ALA 42 HN ALA 42 -1.622 -10.773 3.282 319 HA ALA 42 HA ALA 42 -4.161 -11.498 1.981 320 HB1 ALA 42 HB1 ALA 42 -2.491 -12.199 0.033 321 HB2 ALA 42 HB2 ALA 42 -1.559 -10.861 0.706 322 HB3 ALA 42 HB3 ALA 42 -3.204 -10.588 0.129 323 H LYS 43 HN LYS 43 -2.786 -12.559 4.318 324 HA LYS 43 HA LYS 43 -2.771 -14.626 5.241 325 HB2 LYS 43 HB2 LYS 43 -4.029 -15.704 3.554 326 HB3 LYS 43 HB1 LYS 43 -2.703 -15.668 2.415 327 HG2 LYS 43 HG2 LYS 43 -2.708 -17.862 3.153 328 HG3 LYS 43 HG1 LYS 43 -1.458 -17.114 4.151 329 HD2 LYS 43 HD2 LYS 43 -2.568 -17.661 5.998 330 HD3 LYS 43 HD1 LYS 43 -3.995 -16.792 5.428 331 HE2 LYS 43 HE2 LYS 43 -5.047 -18.681 4.853 332 HE3 LYS 43 HE1 LYS 43 -3.603 -19.354 4.097 333 HZ1 LYS 43 HZ1 LYS 43 -4.602 -19.680 6.813 334 HZ2 LYS 43 HZ2 LYS 43 -2.923 -19.571 6.640 335 HZ3 LYS 43 HZ3 LYS 43 -3.781 -20.779 5.822 336 HA PRO 44 HA PRO 44 1.661 -15.828 4.612 337 HB2 PRO 44 HB2 PRO 44 2.790 -16.325 2.251 338 HB3 PRO 44 HB1 PRO 44 1.660 -17.469 2.972 339 HG2 PRO 44 HG2 PRO 44 1.197 -15.464 0.809 340 HG3 PRO 44 HG1 PRO 44 0.628 -17.139 0.920 341 HD2 PRO 44 HD2 PRO 44 -0.887 -14.935 1.556 342 HD3 PRO 44 HD1 PRO 44 -1.166 -16.565 2.186 343 H TYR 45 HN TYR 45 0.534 -13.435 2.418 344 HA TYR 45 HA TYR 45 3.099 -12.033 2.521 345 HB2 TYR 45 HB2 TYR 45 0.716 -11.694 0.695 346 HB3 TYR 45 HB1 TYR 45 2.124 -10.639 0.674 347 HD1 TYR 45 HD1 TYR 45 4.424 -12.250 0.727 348 HD2 TYR 45 HD2 TYR 45 0.677 -13.151 -1.077 349 HE1 TYR 45 HE1 TYR 45 5.544 -13.809 -0.810 350 HE2 TYR 45 HE2 TYR 45 1.788 -14.711 -2.620 351 HH TYR 45 HH TYR 45 4.838 -14.735 -3.335 352 H PHE 46 HN PHE 46 3.293 -10.478 3.987 353 HA PHE 46 HA PHE 46 0.909 -8.903 4.712 354 HB2 PHE 46 HB2 PHE 46 1.407 -10.322 6.587 355 HB3 PHE 46 HB1 PHE 46 3.118 -9.922 6.506 356 HD1 PHE 46 HD1 PHE 46 0.816 -7.196 5.980 357 HD2 PHE 46 HD2 PHE 46 2.939 -9.408 8.932 358 HE1 PHE 46 HE1 PHE 46 0.464 -5.372 7.595 359 HE2 PHE 46 HE2 PHE 46 2.592 -7.590 10.550 360 HZ PHE 46 HZ PHE 46 1.353 -5.568 9.883 361 H LEU 47 HN LEU 47 1.124 -6.833 4.168 362 HA LEU 47 HA LEU 47 3.841 -5.711 4.022 363 HB2 LEU 47 HB2 LEU 47 1.718 -5.762 2.104 364 HB3 LEU 47 HB1 LEU 47 2.040 -4.098 2.549 365 HG LEU 47 HG LEU 47 3.812 -6.056 1.153 366 HD11 LEU 47 HD11 LEU 47 3.162 -4.716 -0.501 367 HD12 LEU 47 HD12 LEU 47 4.238 -3.508 0.201 368 HD13 LEU 47 HD13 LEU 47 2.522 -3.509 0.612 369 HD21 LEU 47 HD21 LEU 47 4.662 -3.984 3.096 370 HD22 LEU 47 HD22 LEU 47 5.570 -4.113 1.590 371 HD23 LEU 47 HD23 LEU 47 5.428 -5.510 2.657 372 H ARG 48 HN ARG 48 4.232 -4.440 5.691 373 HA ARG 48 HA ARG 48 2.087 -2.655 6.641 374 HB2 ARG 48 HB2 ARG 48 2.700 -4.253 8.367 375 HB3 ARG 48 HB1 ARG 48 4.402 -3.853 8.176 376 HG2 ARG 48 HG2 ARG 48 3.060 -1.437 8.708 377 HG3 ARG 48 HG1 ARG 48 2.439 -2.633 9.848 378 HD2 ARG 48 HD2 ARG 48 5.346 -2.701 9.481 379 HD3 ARG 48 HD1 ARG 48 4.736 -1.199 10.174 380 HE ARG 48 HE ARG 48 3.652 -3.519 11.447 381 HH11 ARG 48 HH11 ARG 48 6.414 -1.401 11.320 382 HH12 ARG 48 HH12 ARG 48 6.894 -1.717 12.954 383 HH21 ARG 48 HH21 ARG 48 4.271 -3.939 13.597 384 HH22 ARG 48 HH22 ARG 48 5.675 -3.163 14.250 385 H LEU 49 HN LEU 49 2.433 -0.675 5.850 386 HA LEU 49 HA LEU 49 5.172 0.390 5.970 387 HB2 LEU 49 HB2 LEU 49 3.201 0.823 3.729 388 HB3 LEU 49 HB1 LEU 49 4.790 1.551 3.847 389 HG LEU 49 HG LEU 49 4.186 -1.384 3.485 390 HD11 LEU 49 HD11 LEU 49 4.219 -0.935 1.319 391 HD12 LEU 49 HD12 LEU 49 5.871 -0.339 1.482 392 HD13 LEU 49 HD13 LEU 49 4.512 0.772 1.650 393 HD21 LEU 49 HD21 LEU 49 6.208 -0.755 4.933 394 HD22 LEU 49 HD22 LEU 49 6.914 -0.141 3.438 395 HD23 LEU 49 HD23 LEU 49 6.471 -1.843 3.572 396 H THR 50 HN THR 50 5.405 2.430 6.684 397 HA THR 50 HA THR 50 2.963 3.831 7.533 398 HB THR 50 HB THR 50 5.264 5.053 8.663 399 HG1 THR 50 HG1 THR 50 6.518 3.273 8.583 400 HG21 THR 50 HG21 THR 50 3.992 3.449 10.597 401 HG22 THR 50 HG22 THR 50 2.742 3.959 9.463 402 HG23 THR 50 HG23 THR 50 3.739 5.164 10.277 403 H LEU 51 HN LEU 51 2.364 5.377 6.151 404 HA LEU 51 HA LEU 51 4.097 6.530 4.234 405 HB2 LEU 51 HB2 LEU 51 1.408 7.511 5.187 406 HB3 LEU 51 HB1 LEU 51 2.224 8.019 3.720 407 HG LEU 51 HG LEU 51 1.266 5.210 4.274 408 HD11 LEU 51 HD11 LEU 51 -0.060 7.573 3.180 409 HD12 LEU 51 HD12 LEU 51 -0.741 6.067 3.796 410 HD13 LEU 51 HD13 LEU 51 -0.147 6.152 2.138 411 HD21 LEU 51 HD21 LEU 51 3.289 5.644 2.730 412 HD22 LEU 51 HD22 LEU 51 2.097 6.319 1.618 413 HD23 LEU 51 HD23 LEU 51 1.969 4.638 2.135 414 HA PRO 52 HA PRO 52 6.041 9.705 6.614 415 HB2 PRO 52 HB2 PRO 52 6.248 11.255 4.127 416 HB3 PRO 52 HB1 PRO 52 7.529 10.576 5.135 417 HG2 PRO 52 HG2 PRO 52 6.936 9.567 2.712 418 HG3 PRO 52 HG1 PRO 52 7.486 8.543 4.052 419 HD2 PRO 52 HD2 PRO 52 4.716 8.958 2.997 420 HD3 PRO 52 HD1 PRO 52 5.506 7.464 3.545 421 H GLY 53 HN GLY 53 3.218 10.221 4.716 422 HA2 GLY 53 HA2 GLY 53 2.779 12.808 6.072 423 HA3 GLY 53 HA1 GLY 53 2.146 12.432 4.475 424 H ARG 54 HN ARG 54 -0.011 12.431 4.708 425 HA ARG 54 HA ARG 54 -1.166 10.452 6.503 426 HB2 ARG 54 HB2 ARG 54 -2.677 12.946 6.612 427 HB3 ARG 54 HB1 ARG 54 -2.213 11.854 7.909 428 HG2 ARG 54 HG2 ARG 54 -0.206 13.702 6.689 429 HG3 ARG 54 HG1 ARG 54 -1.331 14.273 7.924 430 HD2 ARG 54 HD2 ARG 54 -0.256 11.808 8.807 431 HD3 ARG 54 HD1 ARG 54 1.087 12.803 8.248 432 HE ARG 54 HE ARG 54 -0.686 14.272 9.924 433 HH11 ARG 54 HH11 ARG 54 1.893 11.934 9.961 434 HH12 ARG 54 HH12 ARG 54 2.440 12.369 11.545 435 HH21 ARG 54 HH21 ARG 54 0.026 14.854 12.012 436 HH22 ARG 54 HH22 ARG 54 1.379 14.029 12.711 437 H ILE 55 HN ILE 55 -3.099 9.625 5.824 438 HA ILE 55 HA ILE 55 -4.160 10.687 3.284 439 HB ILE 55 HB ILE 55 -4.035 7.808 4.205 440 HG12 ILE 55 HG12 ILE 55 -1.910 8.416 3.345 441 HG13 ILE 55 HG11 ILE 55 -2.728 7.583 2.027 442 HG21 ILE 55 HG21 ILE 55 -6.096 8.768 2.829 443 HG22 ILE 55 HG22 ILE 55 -5.421 7.169 2.520 444 HG23 ILE 55 HG23 ILE 55 -4.976 8.527 1.487 445 HD11 ILE 55 HD11 ILE 55 -1.623 9.470 1.116 446 HD12 ILE 55 HD12 ILE 55 -2.302 10.539 2.342 447 HD13 ILE 55 HD13 ILE 55 -3.350 9.825 1.117 448 H VAL 56 HN VAL 56 -6.210 11.374 3.392 449 HA VAL 56 HA VAL 56 -7.680 11.499 5.712 450 HB VAL 56 HB VAL 56 -8.140 12.902 3.769 451 HG11 VAL 56 HG11 VAL 56 -7.881 11.092 2.075 452 HG12 VAL 56 HG12 VAL 56 -9.311 12.099 1.838 453 HG13 VAL 56 HG13 VAL 56 -9.470 10.490 2.544 454 HG21 VAL 56 HG21 VAL 56 -9.856 12.818 5.419 455 HG22 VAL 56 HG22 VAL 56 -10.458 11.279 4.802 456 HG23 VAL 56 HG23 VAL 56 -10.646 12.747 3.843 457 H GLU 57 HN GLU 57 -9.315 10.373 6.646 458 HA GLU 57 HA GLU 57 -9.659 7.603 5.727 459 HB2 GLU 57 HB2 GLU 57 -10.805 7.912 8.282 460 HB3 GLU 57 HB1 GLU 57 -9.312 7.079 7.870 461 HG2 GLU 57 HG2 GLU 57 -8.261 9.448 7.989 462 HG3 GLU 57 HG1 GLU 57 -9.708 9.848 8.913 463 H ASN 58 HN ASN 58 -11.520 7.065 4.791 464 HA ASN 58 HA ASN 58 -14.050 7.963 5.743 465 HB2 ASN 58 HB2 ASN 58 -13.672 9.995 4.605 466 HB3 ASN 58 HB1 ASN 58 -12.929 9.185 3.228 467 HD21 ASN 58 HD21 ASN 58 -14.390 7.718 1.996 468 HD22 ASN 58 HD22 ASN 58 -16.021 8.236 1.759 469 H GLY 59 HN GLY 59 -12.257 6.627 2.995 470 HA2 GLY 59 HA2 GLY 59 -12.627 4.288 2.428 471 HA3 GLY 59 HA1 GLY 59 -14.327 4.530 2.801 472 H SER 60 HN SER 60 -12.845 7.103 1.115 473 HA SER 60 HA SER 60 -14.309 6.345 -1.304 474 HB2 SER 60 HB2 SER 60 -13.991 8.787 0.071 475 HB3 SER 60 HB1 SER 60 -13.109 8.964 -1.445 476 HG SER 60 HG SER 60 -15.839 8.508 -1.011 477 H GLU 61 HN GLU 61 -11.726 5.162 -0.535 478 HA GLU 61 HA GLU 61 -9.686 6.269 -2.193 479 HB2 GLU 61 HB2 GLU 61 -8.416 4.285 -1.648 480 HB3 GLU 61 HB1 GLU 61 -9.218 4.873 -0.199 481 HG2 GLU 61 HG2 GLU 61 -10.704 2.862 -1.747 482 HG3 GLU 61 HG1 GLU 61 -9.215 2.302 -0.990 483 H GLN 62 HN GLN 62 -8.616 4.128 -3.534 484 HA GLN 62 HA GLN 62 -10.684 3.228 -5.406 485 HB2 GLN 62 HB2 GLN 62 -8.166 4.723 -6.138 486 HB3 GLN 62 HB1 GLN 62 -9.107 3.798 -7.299 487 HG2 GLN 62 HG2 GLN 62 -10.992 5.399 -6.097 488 HG3 GLN 62 HG1 GLN 62 -9.574 6.442 -6.200 489 HE21 GLN 62 HE21 GLN 62 -9.913 7.740 -7.861 490 HE22 GLN 62 HE22 GLN 62 -10.375 7.248 -9.451 491 H GLY 63 HN GLY 63 -10.453 1.148 -5.967 492 HA2 GLY 63 HA2 GLY 63 -7.801 -0.093 -5.605 493 HA3 GLY 63 HA1 GLY 63 -9.244 -0.848 -4.948 494 H SER 64 HN SER 64 -7.163 -1.491 -7.129 495 HA SER 64 HA SER 64 -9.066 -2.756 -8.897 496 HB2 SER 64 HB2 SER 64 -8.797 -0.566 -9.970 497 HB3 SER 64 HB1 SER 64 -7.047 -0.786 -10.000 498 HG SER 64 HG SER 64 -7.242 -2.282 -11.547 499 H TYR 65 HN TYR 65 -8.379 -4.777 -8.997 500 HA TYR 65 HA TYR 65 -5.491 -5.306 -8.883 501 HB2 TYR 65 HB2 TYR 65 -6.929 -6.342 -7.123 502 HB3 TYR 65 HB1 TYR 65 -7.767 -7.237 -8.387 503 HD1 TYR 65 HD1 TYR 65 -4.187 -6.665 -8.717 504 HD2 TYR 65 HD2 TYR 65 -7.158 -9.351 -7.281 505 HE1 TYR 65 HE1 TYR 65 -2.497 -8.445 -8.571 506 HE2 TYR 65 HE2 TYR 65 -5.476 -11.138 -7.129 507 HH TYR 65 HH TYR 65 -2.837 -11.313 -8.616 508 H ASP 66 HN ASP 66 -4.494 -5.931 -10.670 509 HA ASP 66 HA ASP 66 -6.123 -6.938 -12.904 510 HB2 ASP 66 HB2 ASP 66 -4.034 -4.973 -12.738 511 HB3 ASP 66 HB1 ASP 66 -3.530 -6.273 -13.814 512 H ALA 67 HN ALA 67 -5.969 -9.026 -13.359 513 HA ALA 67 HA ALA 67 -3.941 -10.668 -12.158 514 HB1 ALA 67 HB1 ALA 67 -5.063 -12.525 -13.375 515 HB2 ALA 67 HB2 ALA 67 -6.152 -11.338 -14.095 516 HB3 ALA 67 HB3 ALA 67 -6.150 -11.587 -12.349 517 H ASP 68 HN ASP 68 -4.557 -9.267 -15.290 518 HA ASP 68 HA ASP 68 -2.917 -10.782 -16.929 519 HB2 ASP 68 HB2 ASP 68 -4.427 -8.845 -17.590 520 HB3 ASP 68 HB1 ASP 68 -3.124 -7.772 -17.090 521 H LYS 69 HN LYS 69 -2.012 -7.818 -15.158 522 HA LYS 69 HA LYS 69 0.805 -8.410 -15.587 523 HB2 LYS 69 HB2 LYS 69 1.252 -6.211 -14.794 524 HB3 LYS 69 HB1 LYS 69 -0.158 -6.087 -15.838 525 HG2 LYS 69 HG2 LYS 69 -1.293 -6.492 -13.385 526 HG3 LYS 69 HG1 LYS 69 0.128 -5.524 -12.990 527 HD2 LYS 69 HD2 LYS 69 -0.610 -3.980 -14.885 528 HD3 LYS 69 HD1 LYS 69 -2.148 -4.844 -14.829 529 HE2 LYS 69 HE2 LYS 69 -2.750 -3.377 -13.258 530 HE3 LYS 69 HE1 LYS 69 -1.662 -4.254 -12.184 531 HZ1 LYS 69 HZ1 LYS 69 -0.669 -2.283 -11.954 532 HZ2 LYS 69 HZ2 LYS 69 -1.380 -1.632 -13.344 533 HZ3 LYS 69 HZ3 LYS 69 0.012 -2.583 -13.474 534 H GLY 70 HN GLY 70 -1.542 -9.173 -13.342 535 HA2 GLY 70 HA2 GLY 70 -1.483 -10.053 -11.225 536 HA3 GLY 70 HA1 GLY 70 0.175 -10.502 -11.599 537 H ILE 71 HN ILE 71 -1.474 -7.374 -11.072 538 HA ILE 71 HA ILE 71 0.192 -6.904 -8.728 539 HB ILE 71 HB ILE 71 0.146 -5.042 -11.108 540 HG12 ILE 71 HG12 ILE 71 2.498 -6.410 -9.789 541 HG13 ILE 71 HG11 ILE 71 1.676 -7.046 -11.211 542 HG21 ILE 71 HG21 ILE 71 1.930 -3.910 -9.497 543 HG22 ILE 71 HG22 ILE 71 0.898 -4.644 -8.270 544 HG23 ILE 71 HG23 ILE 71 0.214 -3.508 -9.434 545 HD11 ILE 71 HD11 ILE 71 2.503 -4.264 -11.487 546 HD12 ILE 71 HD12 ILE 71 2.722 -5.632 -12.579 547 HD13 ILE 71 HD13 ILE 71 3.837 -5.388 -11.235 548 H PHE 72 HN PHE 72 -0.718 -5.452 -7.265 549 HA PHE 72 HA PHE 72 -3.464 -4.615 -7.918 550 HB2 PHE 72 HB2 PHE 72 -3.715 -6.106 -6.161 551 HB3 PHE 72 HB1 PHE 72 -2.202 -5.626 -5.400 552 HD1 PHE 72 HD2 PHE 72 -4.929 -3.390 -6.528 553 HD2 PHE 72 HD1 PHE 72 -2.917 -5.160 -3.222 554 HE1 PHE 72 HE2 PHE 72 -6.173 -1.925 -4.991 555 HE2 PHE 72 HE1 PHE 72 -4.158 -3.700 -1.680 556 HZ PHE 72 HZ PHE 72 -5.787 -2.078 -2.563 557 H THR 73 HN THR 73 -3.860 -2.528 -8.051 558 HA THR 73 HA THR 73 -2.007 -0.643 -6.742 559 HB THR 73 HB THR 73 -3.462 0.686 -8.788 560 HG1 THR 73 HG1 THR 73 -3.731 -0.985 -10.112 561 HG21 THR 73 HG21 THR 73 -0.668 0.106 -8.070 562 HG22 THR 73 HG22 THR 73 -1.431 1.629 -8.527 563 HG23 THR 73 HG23 THR 73 -0.948 0.477 -9.771 564 H ILE 74 HN ILE 74 -2.855 0.785 -5.338 565 HA ILE 74 HA ILE 74 -5.742 1.311 -5.419 566 HB ILE 74 HB ILE 74 -5.567 -0.438 -3.788 567 HG12 ILE 74 HG12 ILE 74 -5.752 1.448 -1.681 568 HG13 ILE 74 HG11 ILE 74 -6.383 2.233 -3.126 569 HG21 ILE 74 HG21 ILE 74 -3.812 -0.765 -2.457 570 HG22 ILE 74 HG22 ILE 74 -3.879 0.883 -1.836 571 HG23 ILE 74 HG23 ILE 74 -3.020 0.542 -3.337 572 HD11 ILE 74 HD11 ILE 74 -8.236 1.000 -3.110 573 HD12 ILE 74 HD12 ILE 74 -7.787 0.601 -1.451 574 HD13 ILE 74 HD13 ILE 74 -7.354 -0.489 -2.767 575 H ARG 75 HN ARG 75 -6.035 3.434 -5.492 576 HA ARG 75 HA ARG 75 -3.960 5.229 -4.520 577 HB2 ARG 75 HB2 ARG 75 -6.518 6.178 -5.756 578 HB3 ARG 75 HB1 ARG 75 -4.911 6.886 -5.847 579 HG2 ARG 75 HG2 ARG 75 -4.393 4.632 -7.138 580 HG3 ARG 75 HG1 ARG 75 -6.126 4.714 -7.460 581 HD2 ARG 75 HD2 ARG 75 -3.951 6.604 -8.274 582 HD3 ARG 75 HD1 ARG 75 -5.201 5.851 -9.263 583 HE ARG 75 HE ARG 75 -6.430 7.537 -7.392 584 HH11 ARG 75 HH11 ARG 75 -4.404 7.713 -10.222 585 HH12 ARG 75 HH12 ARG 75 -4.976 9.279 -10.690 586 HH21 ARG 75 HH21 ARG 75 -7.185 9.601 -8.001 587 HH22 ARG 75 HH22 ARG 75 -6.554 10.353 -9.428 588 H LEU 76 HN LEU 76 -4.291 6.840 -2.978 589 HA LEU 76 HA LEU 76 -6.762 6.633 -1.401 590 HB2 LEU 76 HB2 LEU 76 -4.013 6.789 -0.183 591 HB3 LEU 76 HB1 LEU 76 -5.535 6.545 0.648 592 HG LEU 76 HG LEU 76 -4.694 4.530 -1.380 593 HD11 LEU 76 HD11 LEU 76 -2.798 4.050 -0.334 594 HD12 LEU 76 HD12 LEU 76 -3.760 3.580 1.067 595 HD13 LEU 76 HD13 LEU 76 -3.133 5.224 0.938 596 HD21 LEU 76 HD21 LEU 76 -6.408 3.414 -0.521 597 HD22 LEU 76 HD22 LEU 76 -6.763 4.809 0.500 598 HD23 LEU 76 HD23 LEU 76 -5.715 3.521 1.098 599 HA PRO 77 HA PRO 77 -6.588 11.066 -1.742 600 HB2 PRO 77 HB2 PRO 77 -8.512 11.618 0.111 601 HB3 PRO 77 HB1 PRO 77 -8.872 11.065 -1.529 602 HG2 PRO 77 HG2 PRO 77 -8.785 9.503 1.023 603 HG3 PRO 77 HG1 PRO 77 -9.955 9.414 -0.306 604 HD2 PRO 77 HD2 PRO 77 -7.959 7.614 -0.010 605 HD3 PRO 77 HD1 PRO 77 -8.570 8.103 -1.605 606 H LYS 78 HN LYS 78 -5.591 12.728 -0.665 607 HA LYS 78 HA LYS 78 -4.206 12.018 1.784 608 HB2 LYS 78 HB2 LYS 78 -3.924 14.186 -0.256 609 HB3 LYS 78 HB1 LYS 78 -3.209 14.403 1.337 610 HG2 LYS 78 HG2 LYS 78 -2.017 12.235 1.008 611 HG3 LYS 78 HG1 LYS 78 -2.611 12.229 -0.652 612 HD2 LYS 78 HD2 LYS 78 -1.446 14.289 -1.121 613 HD3 LYS 78 HD1 LYS 78 -0.952 14.434 0.566 614 HE2 LYS 78 HE2 LYS 78 0.947 13.512 -0.296 615 HE3 LYS 78 HE1 LYS 78 0.064 12.036 0.090 616 HZ1 LYS 78 HZ1 LYS 78 -0.633 11.847 -2.176 617 HZ2 LYS 78 HZ2 LYS 78 1.047 12.037 -2.155 618 HZ3 LYS 78 HZ3 LYS 78 0.055 13.340 -2.577 619 H GLU 79 HN GLU 79 -4.105 13.445 3.611 620 HA GLU 79 HA GLU 79 -6.713 14.562 4.248 621 HB2 GLU 79 HB2 GLU 79 -5.866 13.241 6.000 622 HB3 GLU 79 HB1 GLU 79 -4.252 13.913 5.846 623 HG2 GLU 79 HG2 GLU 79 -4.805 15.850 6.978 624 HG3 GLU 79 HG1 GLU 79 -6.528 15.660 6.666 625 H THR 80 HN THR 80 -3.660 15.595 3.179 626 HA THR 80 HA THR 80 -4.442 18.396 3.565 627 HB THR 80 HB THR 80 -1.730 17.217 4.173 628 HG1 THR 80 HG1 THR 80 -3.541 17.508 5.815 629 HG21 THR 80 HG21 THR 80 -2.483 19.933 3.299 630 HG22 THR 80 HG22 THR 80 -0.940 19.087 3.177 631 HG23 THR 80 HG23 THR 80 -1.416 19.839 4.700 632 HA PRO 81 HA PRO 81 -3.654 18.191 -0.836 633 HB2 PRO 81 HB2 PRO 81 -4.185 20.821 -1.332 634 HB3 PRO 81 HB1 PRO 81 -5.440 19.594 -1.129 635 HG2 PRO 81 HG2 PRO 81 -4.392 21.577 0.852 636 HG3 PRO 81 HG1 PRO 81 -6.067 21.087 0.538 637 HD2 PRO 81 HD2 PRO 81 -4.656 20.127 2.628 638 HD3 PRO 81 HD1 PRO 81 -5.861 19.144 1.772 639 H GLY 82 HN GLY 82 -1.942 18.644 -2.137 640 HA2 GLY 82 HA2 GLY 82 0.003 19.685 -2.872 641 HA3 GLY 82 HA1 GLY 82 -0.109 20.794 -1.517 642 H GLN 83 HN GLN 83 -0.456 17.742 -0.295 643 HA GLN 83 HA GLN 83 2.220 17.769 0.781 644 HB2 GLN 83 HB2 GLN 83 -0.179 16.956 1.780 645 HB3 GLN 83 HB1 GLN 83 0.522 15.419 1.299 646 HG2 GLN 83 HG2 GLN 83 2.523 15.950 2.626 647 HG3 GLN 83 HG1 GLN 83 1.746 17.439 3.160 648 HE21 GLN 83 HE21 GLN 83 0.252 17.369 4.757 649 HE22 GLN 83 HE22 GLN 83 -0.185 15.933 5.611 650 H HIS 84 HN HIS 84 3.905 16.611 0.090 651 HA HIS 84 HA HIS 84 3.398 14.425 -1.819 652 HB2 HIS 84 HB2 HIS 84 4.364 16.583 -2.789 653 HB3 HIS 84 HB1 HIS 84 5.832 16.200 -1.897 654 HD1 HIS 84 HD1 HIS 84 7.478 14.814 -3.119 655 HD2 HIS 84 HD2 HIS 84 3.642 14.386 -4.657 656 HE1 HIS 84 HE1 HIS 84 7.726 13.337 -5.140 657 HE2 HIS 84 HE2 HIS 84 5.390 13.084 -6.051 658 H PHE 85 HN PHE 85 4.091 12.516 -1.121 659 HA PHE 85 HA PHE 85 5.851 12.338 1.162 660 HB2 PHE 85 HB2 PHE 85 4.603 10.158 -0.526 661 HB3 PHE 85 HB1 PHE 85 5.414 9.930 1.011 662 HD1 PHE 85 HD1 PHE 85 3.639 12.927 1.255 663 HD2 PHE 85 HD2 PHE 85 3.071 8.707 1.206 664 HE1 PHE 85 HE1 PHE 85 1.491 13.206 2.413 665 HE2 PHE 85 HE2 PHE 85 0.922 8.983 2.369 666 HZ PHE 85 HZ PHE 85 0.129 11.233 2.973 667 H GLU 86 HN GLU 86 7.840 13.091 0.374 668 HA GLU 86 HA GLU 86 9.051 12.194 -2.003 669 HB2 GLU 86 HB2 GLU 86 9.759 13.869 0.264 670 HB3 GLU 86 HB1 GLU 86 11.131 12.938 -0.320 671 HG2 GLU 86 HG2 GLU 86 10.714 13.803 -2.590 672 HG3 GLU 86 HG1 GLU 86 9.404 14.791 -1.943 673 H GLY 87 HN GLY 87 11.089 11.013 -2.155 674 HA2 GLY 87 HA2 GLY 87 11.983 8.867 -2.098 675 HA3 GLY 87 HA1 GLY 87 12.405 9.416 -0.485 676 H LEU 88 HN LEU 88 9.307 8.393 -1.938 677 HA LEU 88 HA LEU 88 8.422 7.052 0.358 678 HB2 LEU 88 HB2 LEU 88 7.532 7.437 -2.345 679 HB3 LEU 88 HB1 LEU 88 7.227 5.787 -1.842 680 HG LEU 88 HG LEU 88 6.344 8.174 -0.230 681 HD11 LEU 88 HD11 LEU 88 5.371 8.110 -2.556 682 HD12 LEU 88 HD12 LEU 88 4.208 8.057 -1.231 683 HD13 LEU 88 HD13 LEU 88 4.619 6.581 -2.104 684 HD21 LEU 88 HD21 LEU 88 4.658 6.315 0.487 685 HD22 LEU 88 HD22 LEU 88 6.275 6.366 1.191 686 HD23 LEU 88 HD23 LEU 88 5.912 5.224 -0.104 687 H ASN 89 HN ASN 89 9.563 5.557 -2.705 688 HA ASN 89 HA ASN 89 9.995 3.048 -1.323 689 HB2 ASN 89 HB2 ASN 89 9.403 3.770 -3.964 690 HB3 ASN 89 HB1 ASN 89 11.044 3.135 -4.022 691 HD21 ASN 89 HD21 ASN 89 10.004 1.462 -5.324 692 HD22 ASN 89 HD22 ASN 89 9.277 0.117 -4.520 693 H MET 90 HN MET 90 11.627 5.671 -1.050 694 HA MET 90 HA MET 90 14.284 4.448 -1.372 695 HB2 MET 90 HB2 MET 90 13.400 7.328 -1.483 696 HB3 MET 90 HB1 MET 90 15.079 6.887 -1.199 697 HG2 MET 90 HG2 MET 90 14.743 5.447 -3.359 698 HG3 MET 90 HG1 MET 90 13.424 6.579 -3.652 699 HE1 MET 90 HE1 MET 90 15.774 9.900 -3.072 700 HE2 MET 90 HE2 MET 90 15.482 8.809 -1.717 701 HE3 MET 90 HE3 MET 90 14.150 9.279 -2.775 702 H LEU 91 HN LEU 91 12.003 5.991 0.717 703 HA LEU 91 HA LEU 91 13.402 6.744 2.919 704 HB2 LEU 91 HB2 LEU 91 10.719 6.028 2.298 705 HB3 LEU 91 HB1 LEU 91 11.143 5.241 3.812 706 HG LEU 91 HG LEU 91 11.396 8.201 3.266 707 HD11 LEU 91 HD11 LEU 91 9.333 8.513 4.052 708 HD12 LEU 91 HD12 LEU 91 9.520 7.289 5.307 709 HD13 LEU 91 HD13 LEU 91 9.081 6.811 3.667 710 HD21 LEU 91 HD21 LEU 91 11.699 6.663 5.842 711 HD22 LEU 91 HD22 LEU 91 11.857 8.406 5.629 712 HD23 LEU 91 HD23 LEU 91 13.030 7.319 4.886 713 H THR 92 HN THR 92 13.206 5.389 5.138 714 HA THR 92 HA THR 92 14.447 2.770 4.603 715 HB THR 92 HB THR 92 15.119 3.843 7.205 716 HG1 THR 92 HG1 THR 92 16.037 5.361 4.972 717 HG21 THR 92 HG21 THR 92 16.491 2.684 4.839 718 HG22 THR 92 HG22 THR 92 16.561 2.209 6.536 719 HG23 THR 92 HG23 THR 92 17.465 3.617 5.976 720 H ALA 93 HN ALA 93 14.516 1.676 7.051 721 HA ALA 93 HA ALA 93 11.669 1.423 7.724 722 HB1 ALA 93 HB1 ALA 93 11.979 -0.774 7.786 723 HB2 ALA 93 HB2 ALA 93 13.309 -0.605 8.934 724 HB3 ALA 93 HB3 ALA 93 13.622 -0.511 7.201 725 H LEU 94 HN LEU 94 10.945 1.524 9.839 726 HA LEU 94 HA LEU 94 12.891 2.536 11.807 727 HB2 LEU 94 HB2 LEU 94 10.698 3.624 12.772 728 HB3 LEU 94 HB1 LEU 94 11.625 4.412 11.509 729 HG LEU 94 HG LEU 94 9.439 2.599 10.645 730 HD11 LEU 94 HD11 LEU 94 7.696 3.833 11.349 731 HD12 LEU 94 HD12 LEU 94 8.587 5.351 11.236 732 HD13 LEU 94 HD13 LEU 94 8.807 4.302 12.636 733 HD21 LEU 94 HD21 LEU 94 10.527 3.574 8.857 734 HD22 LEU 94 HD22 LEU 94 10.764 5.104 9.699 735 HD23 LEU 94 HD23 LEU 94 9.166 4.669 9.097 736 H LEU 95 HN LEU 95 13.238 1.013 13.274 737 HA LEU 95 HA LEU 95 11.139 -0.889 13.950 738 HB2 LEU 95 HB2 LEU 95 14.075 -0.710 14.580 739 HB3 LEU 95 HB1 LEU 95 13.031 -1.865 15.387 740 HG LEU 95 HG LEU 95 12.407 -2.687 13.040 741 HD11 LEU 95 HD11 LEU 95 13.287 -1.684 11.272 742 HD12 LEU 95 HD12 LEU 95 14.913 -2.005 11.873 743 HD13 LEU 95 HD13 LEU 95 14.079 -0.522 12.338 744 HD21 LEU 95 HD21 LEU 95 15.231 -3.331 13.290 745 HD22 LEU 95 HD22 LEU 95 13.815 -4.370 13.439 746 HD23 LEU 95 HD23 LEU 95 14.369 -3.433 14.825 747 H ALA 96 HN ALA 96 9.770 -0.441 15.539 748 HA ALA 96 HA ALA 96 9.040 0.062 17.655 749 HB1 ALA 96 HB1 ALA 96 11.637 1.266 18.472 750 HB2 ALA 96 HB2 ALA 96 11.544 -0.480 18.240 751 HB3 ALA 96 HB3 ALA 96 10.488 0.310 19.409 Start of MODEL 6 1 H MET 1 H MET 1 11.664 -19.133 -5.193 2 HA MET 1 HA MET 1 9.826 -18.132 -4.312 3 HB2 MET 1 HB2 MET 1 10.820 -19.399 -1.906 4 HB3 MET 1 HB1 MET 1 10.369 -17.729 -1.590 5 HG2 MET 1 HG2 MET 1 8.402 -18.821 -1.175 6 HG3 MET 1 HG1 MET 1 8.192 -18.357 -2.862 7 HE1 MET 1 HE1 MET 1 6.578 -20.132 -1.339 8 HE2 MET 1 HE2 MET 1 6.971 -21.846 -1.197 9 HE3 MET 1 HE3 MET 1 6.178 -21.240 -2.651 10 H LEU 2 HN LEU 2 10.132 -16.137 -5.051 11 HA LEU 2 HA LEU 2 12.335 -14.536 -3.930 12 HB2 LEU 2 HB2 LEU 2 11.006 -14.536 -6.623 13 HB3 LEU 2 HB1 LEU 2 11.890 -13.131 -6.057 14 HG LEU 2 HG LEU 2 13.390 -15.640 -5.835 15 HD11 LEU 2 HD11 LEU 2 13.073 -16.443 -7.875 16 HD12 LEU 2 HD12 LEU 2 13.665 -14.924 -8.547 17 HD13 LEU 2 HD13 LEU 2 11.942 -15.141 -8.242 18 HD21 LEU 2 HD21 LEU 2 14.432 -13.507 -5.426 19 HD22 LEU 2 HD22 LEU 2 13.943 -12.922 -7.017 20 HD23 LEU 2 HD23 LEU 2 15.128 -14.221 -6.881 21 H THR 3 HN THR 3 11.947 -12.477 -3.175 22 HA THR 3 HA THR 3 9.367 -11.956 -2.135 23 HB THR 3 HB THR 3 11.472 -11.166 -1.071 24 HG1 THR 3 HG1 THR 3 10.587 -9.224 -0.379 25 HG21 THR 3 HG21 THR 3 12.841 -9.570 -1.962 26 HG22 THR 3 HG22 THR 3 11.543 -8.819 -2.890 27 HG23 THR 3 HG23 THR 3 12.275 -10.322 -3.453 28 HA PRO 4 HA PRO 4 7.244 -10.031 -5.492 29 HB2 PRO 4 HB2 PRO 4 6.168 -8.250 -3.361 30 HB3 PRO 4 HB1 PRO 4 5.304 -9.215 -4.563 31 HG2 PRO 4 HG2 PRO 4 5.412 -9.988 -2.015 32 HG3 PRO 4 HG1 PRO 4 5.506 -11.170 -3.333 33 HD2 PRO 4 HD2 PRO 4 7.674 -10.108 -1.578 34 HD3 PRO 4 HD1 PRO 4 7.463 -11.735 -2.256 35 H ALA 5 HN ALA 5 7.365 -8.171 -6.757 36 HA ALA 5 HA ALA 5 9.355 -6.206 -5.869 37 HB1 ALA 5 HB1 ALA 5 9.988 -7.281 -7.912 38 HB2 ALA 5 HB2 ALA 5 9.526 -5.620 -8.287 39 HB3 ALA 5 HB3 ALA 5 8.415 -6.946 -8.635 40 H PHE 6 HN PHE 6 7.333 -5.477 -4.565 41 HA PHE 6 HA PHE 6 5.318 -4.026 -5.966 42 HB2 PHE 6 HB2 PHE 6 4.445 -3.517 -3.864 43 HB3 PHE 6 HB1 PHE 6 5.252 -5.055 -3.586 44 HD1 PHE 6 HD1 PHE 6 7.757 -4.853 -2.807 45 HD2 PHE 6 HD2 PHE 6 4.830 -1.790 -2.399 46 HE1 PHE 6 HE1 PHE 6 9.081 -3.832 -1.002 47 HE2 PHE 6 HE2 PHE 6 6.150 -0.764 -0.592 48 HZ PHE 6 HZ PHE 6 8.279 -1.786 0.108 49 H ASP 7 HN ASP 7 4.933 -1.684 -5.573 50 HA ASP 7 HA ASP 7 7.300 -0.063 -5.126 51 HB2 ASP 7 HB2 ASP 7 6.047 -0.467 -7.792 52 HB3 ASP 7 HB1 ASP 7 6.546 1.169 -7.376 53 H LEU 8 HN LEU 8 6.836 2.093 -4.611 54 HA LEU 8 HA LEU 8 3.974 2.643 -4.171 55 HB2 LEU 8 HB2 LEU 8 6.084 4.042 -2.604 56 HB3 LEU 8 HB1 LEU 8 4.442 3.630 -2.148 57 HG LEU 8 HG LEU 8 6.496 1.475 -2.505 58 HD11 LEU 8 HD11 LEU 8 7.393 3.233 -0.966 59 HD12 LEU 8 HD12 LEU 8 7.160 1.650 -0.224 60 HD13 LEU 8 HD13 LEU 8 6.000 2.944 0.076 61 HD21 LEU 8 HD21 LEU 8 3.758 1.656 -1.679 62 HD22 LEU 8 HD22 LEU 8 4.741 1.009 -0.366 63 HD23 LEU 8 HD23 LEU 8 4.752 0.223 -1.945 64 H SER 9 HN SER 9 3.117 4.489 -4.869 65 HA SER 9 HA SER 9 4.836 6.653 -5.817 66 HB2 SER 9 HB2 SER 9 4.063 4.980 -7.703 67 HB3 SER 9 HB1 SER 9 2.525 5.829 -7.546 68 HG SER 9 HG SER 9 4.690 7.500 -7.681 69 H GLN 10 HN GLN 10 4.004 8.639 -5.339 70 HA GLN 10 HA GLN 10 1.194 8.718 -4.489 71 HB2 GLN 10 HB2 GLN 10 1.674 9.750 -2.482 72 HB3 GLN 10 HB1 GLN 10 3.002 8.610 -2.628 73 HG2 GLN 10 HG2 GLN 10 3.029 11.578 -3.020 74 HG3 GLN 10 HG1 GLN 10 3.995 10.596 -1.922 75 HE21 GLN 10 HE21 GLN 10 4.582 12.552 -4.178 76 HE22 GLN 10 HE22 GLN 10 5.748 11.725 -5.147 77 H ASP 11 HN ASP 11 0.076 10.559 -4.800 78 HA ASP 11 HA ASP 11 1.332 12.600 -6.506 79 HB2 ASP 11 HB2 ASP 11 -1.271 11.233 -6.577 80 HB3 ASP 11 HB1 ASP 11 -1.375 12.980 -6.774 81 HA PRO 12 HA PRO 12 0.633 15.748 -3.513 82 HB2 PRO 12 HB2 PRO 12 -0.364 17.806 -5.007 83 HB3 PRO 12 HB1 PRO 12 1.337 17.328 -4.997 84 HG2 PRO 12 HG2 PRO 12 -0.804 16.667 -6.977 85 HG3 PRO 12 HG1 PRO 12 0.888 17.114 -7.262 86 HD2 PRO 12 HD2 PRO 12 0.032 14.555 -7.379 87 HD3 PRO 12 HD1 PRO 12 1.659 14.986 -6.813 88 H ASP 13 HN ASP 13 -1.960 14.216 -4.949 89 HA ASP 13 HA ASP 13 -3.814 15.511 -3.091 90 HB2 ASP 13 HB2 ASP 13 -4.391 14.853 -5.987 91 HB3 ASP 13 HB1 ASP 13 -5.624 15.290 -4.808 92 H PHE 14 HN PHE 14 -2.239 12.824 -3.782 93 HA PHE 14 HA PHE 14 -3.950 11.103 -2.320 94 HB2 PHE 14 HB2 PHE 14 -3.607 10.230 -5.186 95 HB3 PHE 14 HB1 PHE 14 -4.627 9.513 -3.949 96 HD1 PHE 14 HD2 PHE 14 -4.252 12.373 -6.238 97 HD2 PHE 14 HD1 PHE 14 -6.830 10.271 -3.585 98 HE1 PHE 14 HE2 PHE 14 -6.166 13.669 -7.081 99 HE2 PHE 14 HE1 PHE 14 -8.750 11.564 -4.421 100 HZ PHE 14 HZ PHE 14 -8.420 13.265 -6.172 101 H LEU 15 HN LEU 15 -3.133 8.806 -2.400 102 HA LEU 15 HA LEU 15 -0.292 8.587 -3.077 103 HB2 LEU 15 HB2 LEU 15 -0.158 9.094 -0.765 104 HB3 LEU 15 HB1 LEU 15 -1.529 8.076 -0.379 105 HG LEU 15 HG LEU 15 0.811 7.252 0.265 106 HD11 LEU 15 HD11 LEU 15 -0.658 5.262 -1.410 107 HD12 LEU 15 HD12 LEU 15 -1.414 5.943 0.031 108 HD13 LEU 15 HD13 LEU 15 0.105 5.056 0.167 109 HD21 LEU 15 HD21 LEU 15 2.265 7.338 -1.446 110 HD22 LEU 15 HD22 LEU 15 0.997 7.280 -2.668 111 HD23 LEU 15 HD23 LEU 15 1.544 5.794 -1.897 112 H THR 16 HN THR 16 -0.262 6.924 -4.519 113 HA THR 16 HA THR 16 -2.153 4.731 -4.079 114 HB THR 16 HB THR 16 -0.559 5.180 -6.591 115 HG1 THR 16 HG1 THR 16 -1.730 6.989 -6.669 116 HG21 THR 16 HG21 THR 16 -2.006 3.690 -7.590 117 HG22 THR 16 HG22 THR 16 -3.289 3.987 -6.417 118 HG23 THR 16 HG23 THR 16 -1.887 3.020 -5.963 119 H ILE 17 HN ILE 17 -1.489 2.602 -4.164 120 HA ILE 17 HA ILE 17 1.407 2.160 -3.894 121 HB ILE 17 HB ILE 17 -0.695 0.584 -2.416 122 HG12 ILE 17 HG12 ILE 17 0.817 3.071 -1.607 123 HG13 ILE 17 HG11 ILE 17 -0.918 2.788 -1.553 124 HG21 ILE 17 HG21 ILE 17 1.132 -0.748 -2.298 125 HG22 ILE 17 HG22 ILE 17 1.549 0.339 -0.974 126 HG23 ILE 17 HG23 ILE 17 2.257 0.581 -2.571 127 HD11 ILE 17 HD11 ILE 17 0.740 2.648 0.575 128 HD12 ILE 17 HD12 ILE 17 0.665 0.954 0.089 129 HD13 ILE 17 HD13 ILE 17 -0.818 1.832 0.462 130 H ALA 18 HN ALA 18 2.159 0.047 -4.542 131 HA ALA 18 HA ALA 18 0.311 -1.445 -6.261 132 HB1 ALA 18 HB1 ALA 18 3.077 -0.991 -7.274 133 HB2 ALA 18 HB2 ALA 18 1.865 0.272 -7.492 134 HB3 ALA 18 HB3 ALA 18 1.591 -1.337 -8.161 135 H ILE 19 HN ILE 19 0.258 -3.404 -5.426 136 HA ILE 19 HA ILE 19 2.790 -4.634 -4.548 137 HB ILE 19 HB ILE 19 0.100 -5.502 -3.534 138 HG12 ILE 19 HG12 ILE 19 1.833 -3.617 -1.972 139 HG13 ILE 19 HG11 ILE 19 0.693 -2.978 -3.153 140 HG21 ILE 19 HG21 ILE 19 2.885 -5.715 -2.398 141 HG22 ILE 19 HG22 ILE 19 1.993 -7.004 -3.205 142 HG23 ILE 19 HG23 ILE 19 1.416 -6.362 -1.667 143 HD11 ILE 19 HD11 ILE 19 0.132 -4.504 -0.642 144 HD12 ILE 19 HD12 ILE 19 -1.065 -4.366 -1.931 145 HD13 ILE 19 HD13 ILE 19 -0.457 -2.916 -1.134 146 H ARG 20 HN ARG 20 3.403 -6.406 -5.623 147 HA ARG 20 HA ARG 20 1.462 -7.651 -7.438 148 HB2 ARG 20 HB2 ARG 20 3.637 -6.743 -8.335 149 HB3 ARG 20 HB1 ARG 20 4.461 -7.998 -7.421 150 HG2 ARG 20 HG2 ARG 20 2.727 -9.527 -8.750 151 HG3 ARG 20 HG1 ARG 20 2.859 -8.189 -9.895 152 HD2 ARG 20 HD2 ARG 20 5.212 -8.471 -10.078 153 HD3 ARG 20 HD1 ARG 20 5.247 -9.595 -8.721 154 HE ARG 20 HE ARG 20 3.621 -10.822 -10.505 155 HH11 ARG 20 HH11 ARG 20 6.824 -9.472 -10.693 156 HH12 ARG 20 HH12 ARG 20 7.351 -10.556 -11.937 157 HH21 ARG 20 HH21 ARG 20 4.300 -12.257 -12.145 158 HH22 ARG 20 HH22 ARG 20 5.913 -12.142 -12.765 159 H VAL 21 HN VAL 21 0.573 -9.492 -6.832 160 HA VAL 21 HA VAL 21 2.170 -11.455 -5.364 161 HB VAL 21 HB VAL 21 0.484 -11.845 -3.696 162 HG11 VAL 21 HG11 VAL 21 1.061 -8.891 -3.910 163 HG12 VAL 21 HG12 VAL 21 2.137 -10.106 -3.220 164 HG13 VAL 21 HG13 VAL 21 0.593 -9.753 -2.445 165 HG21 VAL 21 HG21 VAL 21 -1.510 -10.370 -3.531 166 HG22 VAL 21 HG22 VAL 21 -1.517 -11.405 -4.957 167 HG23 VAL 21 HG23 VAL 21 -1.097 -9.699 -5.108 168 H SER 22 HN SER 22 1.874 -13.458 -6.075 169 HA SER 22 HA SER 22 -0.487 -14.012 -7.750 170 HB2 SER 22 HB2 SER 22 2.211 -14.137 -8.473 171 HB3 SER 22 HB1 SER 22 1.743 -15.817 -8.207 172 HG SER 22 HG SER 22 0.367 -15.713 -9.843 173 H TYR 23 HN TYR 23 1.688 -15.156 -5.271 174 HA TYR 23 HA TYR 23 0.630 -17.767 -4.995 175 HB2 TYR 23 HB2 TYR 23 2.167 -15.995 -3.089 176 HB3 TYR 23 HB1 TYR 23 1.711 -17.651 -2.707 177 HD1 TYR 23 HD1 TYR 23 2.756 -16.635 -6.099 178 HD2 TYR 23 HD2 TYR 23 3.965 -18.423 -2.431 179 HE1 TYR 23 HE1 TYR 23 4.801 -17.451 -7.179 180 HE2 TYR 23 HE2 TYR 23 6.016 -19.244 -3.506 181 HH TYR 23 HH TYR 23 7.284 -18.116 -6.148 182 H ALA 24 HN ALA 24 -0.692 -14.773 -4.334 183 HA ALA 24 HA ALA 24 -2.007 -14.545 -2.095 184 HB1 ALA 24 HB1 ALA 24 -2.636 -13.828 -4.720 185 HB2 ALA 24 HB2 ALA 24 -3.350 -13.200 -3.236 186 HB3 ALA 24 HB3 ALA 24 -4.099 -14.564 -4.065 187 H ARG 25 HN ARG 25 -2.623 -16.050 -0.694 188 HA ARG 25 HA ARG 25 -4.105 -18.389 -1.657 189 HB2 ARG 25 HB2 ARG 25 -2.009 -18.209 0.098 190 HB3 ARG 25 HB1 ARG 25 -3.390 -18.317 1.180 191 HG2 ARG 25 HG2 ARG 25 -3.997 -20.415 0.393 192 HG3 ARG 25 HG1 ARG 25 -3.070 -20.227 -1.096 193 HD2 ARG 25 HD2 ARG 25 -1.005 -20.172 0.382 194 HD3 ARG 25 HD1 ARG 25 -2.055 -20.730 1.681 195 HE ARG 25 HE ARG 25 -2.353 -22.402 -0.567 196 HH11 ARG 25 HH11 ARG 25 -0.085 -21.634 1.961 197 HH12 ARG 25 HH12 ARG 25 0.654 -23.201 1.952 198 HH21 ARG 25 HH21 ARG 25 -1.389 -24.468 -0.588 199 HH22 ARG 25 HH22 ARG 25 -0.088 -24.813 0.501 200 H VAL 26 HN VAL 26 -4.971 -15.459 -0.900 201 HA VAL 26 HA VAL 26 -7.275 -16.310 0.728 202 HB VAL 26 HB VAL 26 -7.387 -14.134 1.731 203 HG11 VAL 26 HG11 VAL 26 -5.865 -15.751 2.762 204 HG12 VAL 26 HG12 VAL 26 -5.305 -14.095 2.995 205 HG13 VAL 26 HG13 VAL 26 -4.538 -15.124 1.784 206 HG21 VAL 26 HG21 VAL 26 -5.131 -12.730 1.081 207 HG22 VAL 26 HG22 VAL 26 -6.743 -12.424 0.436 208 HG23 VAL 26 HG23 VAL 26 -5.604 -13.418 -0.473 209 H SER 27 HN SER 27 -9.224 -16.012 -0.137 210 HA SER 27 HA SER 27 -9.617 -15.272 -2.791 211 HB2 SER 27 HB2 SER 27 -11.521 -15.430 -0.453 212 HB3 SER 27 HB1 SER 27 -12.063 -15.064 -2.092 213 HG SER 27 HG SER 27 -12.155 -17.176 -2.207 214 H GLU 28 HN GLU 28 -9.906 -13.380 0.168 215 HA GLU 28 HA GLU 28 -10.062 -10.944 -1.483 216 HB2 GLU 28 HB2 GLU 28 -12.214 -11.172 -0.483 217 HB3 GLU 28 HB1 GLU 28 -11.520 -11.593 1.076 218 HG2 GLU 28 HG2 GLU 28 -10.541 -9.281 1.145 219 HG3 GLU 28 HG1 GLU 28 -11.521 -8.910 -0.272 220 H PHE 29 HN PHE 29 -8.788 -9.216 -0.848 221 HA PHE 29 HA PHE 29 -6.696 -9.886 1.076 222 HB2 PHE 29 HB2 PHE 29 -6.757 -7.409 -0.635 223 HB3 PHE 29 HB1 PHE 29 -5.364 -8.228 0.063 224 HD1 PHE 29 HD1 PHE 29 -6.608 -11.024 -0.829 225 HD2 PHE 29 HD2 PHE 29 -5.610 -7.392 -2.809 226 HE1 PHE 29 HE1 PHE 29 -6.275 -12.265 -2.926 227 HE2 PHE 29 HE2 PHE 29 -5.276 -8.625 -4.910 228 HZ PHE 29 HZ PHE 29 -5.608 -11.065 -4.972 229 H ASP 30 HN ASP 30 -5.951 -8.237 2.592 230 HA ASP 30 HA ASP 30 -8.200 -6.630 3.609 231 HB2 ASP 30 HB2 ASP 30 -5.916 -7.919 5.121 232 HB3 ASP 30 HB1 ASP 30 -7.127 -6.864 5.844 233 H VAL 31 HN VAL 31 -7.927 -4.547 3.164 234 HA VAL 31 HA VAL 31 -5.198 -3.442 3.261 235 HB VAL 31 HB VAL 31 -7.537 -2.187 1.836 236 HG11 VAL 31 HG11 VAL 31 -6.115 -0.486 1.671 237 HG12 VAL 31 HG12 VAL 31 -5.124 -1.504 0.625 238 HG13 VAL 31 HG13 VAL 31 -4.799 -1.441 2.357 239 HG21 VAL 31 HG21 VAL 31 -5.736 -3.228 -0.051 240 HG22 VAL 31 HG22 VAL 31 -7.396 -3.738 0.252 241 HG23 VAL 31 HG23 VAL 31 -6.063 -4.532 1.090 242 H TYR 32 HN TYR 32 -4.819 -2.344 5.059 243 HA TYR 32 HA TYR 32 -7.022 -0.777 6.231 244 HB2 TYR 32 HB2 TYR 32 -4.716 -2.127 7.648 245 HB3 TYR 32 HB1 TYR 32 -5.915 -1.099 8.423 246 HD1 TYR 32 HD1 TYR 32 -8.235 -2.234 6.639 247 HD2 TYR 32 HD2 TYR 32 -5.230 -4.025 9.060 248 HE1 TYR 32 HE1 TYR 32 -9.688 -4.188 6.987 249 HE2 TYR 32 HE2 TYR 32 -6.672 -5.983 9.414 250 HH TYR 32 HH TYR 32 -8.655 -6.903 9.032 251 H PHE 33 HN PHE 33 -6.723 1.318 5.882 252 HA PHE 33 HA PHE 33 -3.988 2.384 6.087 253 HB2 PHE 33 HB2 PHE 33 -4.583 4.120 4.492 254 HB3 PHE 33 HB1 PHE 33 -4.876 2.536 3.785 255 HD1 PHE 33 HD1 PHE 33 -7.323 1.642 4.013 256 HD2 PHE 33 HD2 PHE 33 -6.206 5.735 4.355 257 HE1 PHE 33 HE1 PHE 33 -9.628 2.314 3.472 258 HE2 PHE 33 HE2 PHE 33 -8.508 6.413 3.817 259 HZ PHE 33 HZ PHE 33 -10.223 4.702 3.374 260 H GLU 34 HN GLU 34 -3.747 3.429 7.932 261 HA GLU 34 HA GLU 34 -5.868 5.253 8.805 262 HB2 GLU 34 HB2 GLU 34 -6.410 3.644 10.323 263 HB3 GLU 34 HB1 GLU 34 -4.826 2.888 10.249 264 HG2 GLU 34 HG2 GLU 34 -4.014 4.105 11.958 265 HG3 GLU 34 HG1 GLU 34 -4.929 5.545 11.513 266 H GLY 35 HN GLY 35 -4.982 7.195 8.812 267 HA2 GLY 35 HA2 GLY 35 -3.337 8.828 8.860 268 HA3 GLY 35 HA1 GLY 35 -3.193 8.231 10.503 269 H SER 36 HN SER 36 -1.974 7.778 7.213 270 HA SER 36 HA SER 36 0.099 7.288 6.426 271 HB2 SER 36 HB2 SER 36 1.701 7.355 8.799 272 HB3 SER 36 HB1 SER 36 1.650 8.512 7.470 273 HG SER 36 HG SER 36 0.920 9.761 9.020 274 H ASP 37 HN ASP 37 -1.571 5.330 8.394 275 HA ASP 37 HA ASP 37 0.533 3.290 8.570 276 HB2 ASP 37 HB2 ASP 37 -2.223 3.235 9.816 277 HB3 ASP 37 HB1 ASP 37 -0.898 2.120 10.132 278 H PHE 38 HN PHE 38 0.656 2.223 6.696 279 HA PHE 38 HA PHE 38 -1.857 1.312 5.458 280 HB2 PHE 38 HB2 PHE 38 -0.582 2.710 3.953 281 HB3 PHE 38 HB1 PHE 38 0.865 1.740 4.214 282 HD1 PHE 38 HD1 PHE 38 -2.536 1.691 2.768 283 HD2 PHE 38 HD2 PHE 38 1.266 -0.209 2.959 284 HE1 PHE 38 HE1 PHE 38 -3.165 0.253 0.873 285 HE2 PHE 38 HE2 PHE 38 0.646 -1.650 1.064 286 HZ PHE 38 HZ PHE 38 -1.572 -1.419 0.018 287 H LYS 39 HN LYS 39 -2.343 -0.725 5.826 288 HA LYS 39 HA LYS 39 -0.159 -2.691 6.017 289 HB2 LYS 39 HB2 LYS 39 -2.755 -3.287 7.329 290 HB3 LYS 39 HB1 LYS 39 -1.120 -3.707 7.826 291 HG2 LYS 39 HG2 LYS 39 -1.073 -1.013 8.120 292 HG3 LYS 39 HG1 LYS 39 -2.757 -1.372 8.504 293 HD2 LYS 39 HD2 LYS 39 -2.115 -2.889 10.233 294 HD3 LYS 39 HD1 LYS 39 -0.420 -2.814 9.746 295 HE2 LYS 39 HE2 LYS 39 -0.232 -1.270 11.362 296 HE3 LYS 39 HE1 LYS 39 -0.987 -0.185 10.194 297 HZ1 LYS 39 HZ1 LYS 39 -2.734 -1.806 11.896 298 HZ2 LYS 39 HZ2 LYS 39 -2.973 -0.251 11.276 299 HZ3 LYS 39 HZ3 LYS 39 -1.948 -0.484 12.601 300 H PHE 40 HN PHE 40 -0.263 -4.388 4.667 301 HA PHE 40 HA PHE 40 -2.787 -4.856 3.220 302 HB2 PHE 40 HB2 PHE 40 -1.321 -3.684 1.710 303 HB3 PHE 40 HB1 PHE 40 0.017 -4.755 2.102 304 HD1 PHE 40 HD2 PHE 40 -3.331 -4.664 0.513 305 HD2 PHE 40 HD1 PHE 40 0.378 -6.715 0.894 306 HE1 PHE 40 HE2 PHE 40 -3.952 -6.130 -1.364 307 HE2 PHE 40 HE1 PHE 40 -0.235 -8.184 -0.982 308 HZ PHE 40 HZ PHE 40 -2.403 -7.893 -2.113 309 H TYR 41 HN TYR 41 -3.511 -6.812 3.801 310 HA TYR 41 HA TYR 41 -1.535 -8.976 4.095 311 HB2 TYR 41 HB2 TYR 41 -4.240 -9.204 5.330 312 HB3 TYR 41 HB1 TYR 41 -2.698 -9.855 5.876 313 HD1 TYR 41 HD2 TYR 41 -1.013 -7.456 5.973 314 HD2 TYR 41 HD1 TYR 41 -5.073 -7.984 7.131 315 HE1 TYR 41 HE2 TYR 41 -0.791 -5.603 7.575 316 HE2 TYR 41 HE1 TYR 41 -4.862 -6.134 8.736 317 HH TYR 41 HH TYR 41 -3.384 -4.788 9.813 318 H ALA 42 HN ALA 42 -1.602 -10.440 2.544 319 HA ALA 42 HA ALA 42 -4.191 -11.136 1.344 320 HB1 ALA 42 HB1 ALA 42 -3.502 -9.993 -0.480 321 HB2 ALA 42 HB2 ALA 42 -2.587 -11.469 -0.792 322 HB3 ALA 42 HB3 ALA 42 -1.799 -10.087 -0.029 323 H LYS 43 HN LYS 43 -2.533 -12.341 3.381 324 HA LYS 43 HA LYS 43 -2.671 -14.774 3.724 325 HB2 LYS 43 HB2 LYS 43 -1.790 -16.290 2.161 326 HB3 LYS 43 HB1 LYS 43 -2.626 -15.120 1.177 327 HG2 LYS 43 HG2 LYS 43 -0.614 -14.113 0.462 328 HG3 LYS 43 HG1 LYS 43 0.318 -14.926 1.718 329 HD2 LYS 43 HD2 LYS 43 -0.619 -17.079 0.500 330 HD3 LYS 43 HD1 LYS 43 -0.702 -15.967 -0.868 331 HE2 LYS 43 HE2 LYS 43 1.430 -16.654 -1.169 332 HE3 LYS 43 HE1 LYS 43 1.761 -15.396 0.020 333 HZ1 LYS 43 HZ1 LYS 43 2.191 -16.908 1.638 334 HZ2 LYS 43 HZ2 LYS 43 2.652 -17.840 0.305 335 HZ3 LYS 43 HZ3 LYS 43 1.135 -18.073 1.015 336 HA PRO 44 HA PRO 44 1.305 -15.253 5.809 337 HB2 PRO 44 HB2 PRO 44 2.741 -16.077 3.297 338 HB3 PRO 44 HB1 PRO 44 2.983 -16.644 4.957 339 HG2 PRO 44 HG2 PRO 44 1.540 -18.090 3.267 340 HG3 PRO 44 HG1 PRO 44 1.017 -17.898 4.951 341 HD2 PRO 44 HD2 PRO 44 -0.088 -16.711 2.482 342 HD3 PRO 44 HD1 PRO 44 -0.908 -17.082 4.007 343 H TYR 45 HN TYR 45 1.313 -13.690 2.668 344 HA TYR 45 HA TYR 45 3.592 -12.038 3.154 345 HB2 TYR 45 HB2 TYR 45 1.343 -11.860 1.145 346 HB3 TYR 45 HB1 TYR 45 2.708 -10.754 1.172 347 HD1 TYR 45 HD1 TYR 45 4.840 -12.799 1.905 348 HD2 TYR 45 HD2 TYR 45 1.711 -12.867 -0.979 349 HE1 TYR 45 HE1 TYR 45 6.144 -14.370 0.536 350 HE2 TYR 45 HE2 TYR 45 3.009 -14.440 -2.356 351 HH TYR 45 HH TYR 45 6.184 -14.945 -2.070 352 H PHE 46 HN PHE 46 3.700 -10.258 4.361 353 HA PHE 46 HA PHE 46 1.216 -8.772 4.906 354 HB2 PHE 46 HB2 PHE 46 3.173 -9.923 6.793 355 HB3 PHE 46 HB1 PHE 46 2.698 -8.262 7.131 356 HD1 PHE 46 HD1 PHE 46 0.676 -11.045 5.725 357 HD2 PHE 46 HD2 PHE 46 1.339 -8.412 9.002 358 HE1 PHE 46 HE1 PHE 46 -1.385 -11.862 6.794 359 HE2 PHE 46 HE2 PHE 46 -0.721 -9.223 10.076 360 HZ PHE 46 HZ PHE 46 -2.085 -10.950 8.971 361 H LEU 47 HN LEU 47 1.319 -6.712 4.310 362 HA LEU 47 HA LEU 47 3.981 -5.492 3.984 363 HB2 LEU 47 HB2 LEU 47 1.776 -5.698 2.193 364 HB3 LEU 47 HB1 LEU 47 2.003 -4.005 2.589 365 HG LEU 47 HG LEU 47 3.979 -5.878 1.302 366 HD11 LEU 47 HD11 LEU 47 3.501 -3.218 0.195 367 HD12 LEU 47 HD12 LEU 47 2.075 -4.256 0.207 368 HD13 LEU 47 HD13 LEU 47 3.548 -4.790 -0.602 369 HD21 LEU 47 HD21 LEU 47 5.079 -3.306 1.436 370 HD22 LEU 47 HD22 LEU 47 5.643 -4.761 2.257 371 HD23 LEU 47 HD23 LEU 47 4.513 -3.674 3.065 372 H ARG 48 HN ARG 48 4.404 -4.212 5.656 373 HA ARG 48 HA ARG 48 2.276 -2.408 6.604 374 HB2 ARG 48 HB2 ARG 48 2.847 -4.057 8.323 375 HB3 ARG 48 HB1 ARG 48 4.545 -3.620 8.198 376 HG2 ARG 48 HG2 ARG 48 3.185 -1.228 8.707 377 HG3 ARG 48 HG1 ARG 48 2.470 -2.432 9.780 378 HD2 ARG 48 HD2 ARG 48 5.327 -2.721 9.722 379 HD3 ARG 48 HD1 ARG 48 4.894 -1.056 10.110 380 HE ARG 48 HE ARG 48 3.367 -2.908 11.635 381 HH11 ARG 48 HH11 ARG 48 6.498 -1.398 11.406 382 HH12 ARG 48 HH12 ARG 48 6.856 -1.589 13.090 383 HH21 ARG 48 HH21 ARG 48 3.831 -3.167 13.852 384 HH22 ARG 48 HH22 ARG 48 5.341 -2.596 14.480 385 H LEU 49 HN LEU 49 2.677 -0.417 5.890 386 HA LEU 49 HA LEU 49 5.442 0.569 6.033 387 HB2 LEU 49 HB2 LEU 49 3.536 1.216 3.790 388 HB3 LEU 49 HB1 LEU 49 5.221 1.686 3.920 389 HG LEU 49 HG LEU 49 4.273 -1.166 3.651 390 HD11 LEU 49 HD11 LEU 49 5.005 -1.052 1.350 391 HD12 LEU 49 HD12 LEU 49 5.459 0.640 1.551 392 HD13 LEU 49 HD13 LEU 49 3.763 0.165 1.647 393 HD21 LEU 49 HD21 LEU 49 6.418 -1.819 3.796 394 HD22 LEU 49 HD22 LEU 49 6.628 -0.296 4.660 395 HD23 LEU 49 HD23 LEU 49 7.019 -0.397 2.943 396 H THR 50 HN THR 50 5.714 2.578 6.809 397 HA THR 50 HA THR 50 3.305 4.002 7.700 398 HB THR 50 HB THR 50 6.164 4.373 8.616 399 HG1 THR 50 HG1 THR 50 4.014 2.850 9.657 400 HG21 THR 50 HG21 THR 50 3.549 5.539 9.545 401 HG22 THR 50 HG22 THR 50 4.983 6.395 8.978 402 HG23 THR 50 HG23 THR 50 5.013 5.554 10.529 403 H LEU 51 HN LEU 51 2.676 5.548 6.339 404 HA LEU 51 HA LEU 51 4.404 6.752 4.435 405 HB2 LEU 51 HB2 LEU 51 1.723 7.820 5.280 406 HB3 LEU 51 HB1 LEU 51 2.518 7.998 3.727 407 HG LEU 51 HG LEU 51 1.316 5.473 4.858 408 HD11 LEU 51 HD11 LEU 51 -0.530 6.248 3.894 409 HD12 LEU 51 HD12 LEU 51 0.280 6.013 2.345 410 HD13 LEU 51 HD13 LEU 51 0.340 7.586 3.141 411 HD21 LEU 51 HD21 LEU 51 3.530 5.534 3.301 412 HD22 LEU 51 HD22 LEU 51 2.258 5.505 2.080 413 HD23 LEU 51 HD23 LEU 51 2.341 4.231 3.297 414 HA PRO 52 HA PRO 52 6.198 10.059 6.721 415 HB2 PRO 52 HB2 PRO 52 5.948 11.713 4.292 416 HB3 PRO 52 HB1 PRO 52 7.398 11.200 5.158 417 HG2 PRO 52 HG2 PRO 52 6.749 10.160 2.773 418 HG3 PRO 52 HG1 PRO 52 7.517 9.184 4.040 419 HD2 PRO 52 HD2 PRO 52 4.644 9.281 3.201 420 HD3 PRO 52 HD1 PRO 52 5.642 7.883 3.653 421 H GLY 53 HN GLY 53 3.173 10.434 5.071 422 HA2 GLY 53 HA2 GLY 53 2.583 12.773 6.778 423 HA3 GLY 53 HA1 GLY 53 1.975 12.623 5.138 424 H ARG 54 HN ARG 54 -0.132 12.305 5.204 425 HA ARG 54 HA ARG 54 -1.196 10.060 6.707 426 HB2 ARG 54 HB2 ARG 54 -1.411 12.731 7.678 427 HB3 ARG 54 HB1 ARG 54 -3.008 12.219 7.152 428 HG2 ARG 54 HG2 ARG 54 -3.216 10.703 8.809 429 HG3 ARG 54 HG1 ARG 54 -1.501 10.288 8.795 430 HD2 ARG 54 HD2 ARG 54 -2.363 12.979 9.762 431 HD3 ARG 54 HD1 ARG 54 -2.536 11.579 10.821 432 HE ARG 54 HE ARG 54 0.016 11.368 10.036 433 HH11 ARG 54 HH11 ARG 54 -1.819 14.059 11.273 434 HH12 ARG 54 HH12 ARG 54 -0.447 14.825 12.003 435 HH21 ARG 54 HH21 ARG 54 1.826 12.369 10.992 436 HH22 ARG 54 HH22 ARG 54 1.624 13.865 11.841 437 H ILE 55 HN ILE 55 -3.108 9.250 5.867 438 HA ILE 55 HA ILE 55 -4.029 10.515 3.365 439 HB ILE 55 HB ILE 55 -3.857 7.589 4.094 440 HG12 ILE 55 HG12 ILE 55 -1.786 8.639 3.273 441 HG13 ILE 55 HG11 ILE 55 -2.406 7.442 2.139 442 HG21 ILE 55 HG21 ILE 55 -5.918 8.651 2.655 443 HG22 ILE 55 HG22 ILE 55 -5.317 7.001 2.500 444 HG23 ILE 55 HG23 ILE 55 -4.758 8.251 1.390 445 HD11 ILE 55 HD11 ILE 55 -2.800 10.413 1.888 446 HD12 ILE 55 HD12 ILE 55 -3.281 9.181 0.723 447 HD13 ILE 55 HD13 ILE 55 -1.572 9.474 1.041 448 H VAL 56 HN VAL 56 -6.086 11.210 3.384 449 HA VAL 56 HA VAL 56 -7.729 11.081 5.611 450 HB VAL 56 HB VAL 56 -7.957 12.695 3.704 451 HG11 VAL 56 HG11 VAL 56 -9.683 10.636 2.380 452 HG12 VAL 56 HG12 VAL 56 -7.962 10.762 2.003 453 HG13 VAL 56 HG13 VAL 56 -9.032 12.138 1.721 454 HG21 VAL 56 HG21 VAL 56 -10.453 12.785 3.843 455 HG22 VAL 56 HG22 VAL 56 -9.636 12.674 5.402 456 HG23 VAL 56 HG23 VAL 56 -10.402 11.247 4.704 457 H GLU 57 HN GLU 57 -9.669 10.001 6.060 458 HA GLU 57 HA GLU 57 -9.937 7.398 4.713 459 HB2 GLU 57 HB2 GLU 57 -10.388 6.345 6.787 460 HB3 GLU 57 HB1 GLU 57 -8.960 7.334 7.042 461 HG2 GLU 57 HG2 GLU 57 -10.609 9.107 7.908 462 HG3 GLU 57 HG1 GLU 57 -11.750 7.768 8.024 463 H ASN 58 HN ASN 58 -11.885 6.869 3.981 464 HA ASN 58 HA ASN 58 -14.331 7.775 5.118 465 HB2 ASN 58 HB2 ASN 58 -13.135 9.579 3.341 466 HB3 ASN 58 HB1 ASN 58 -14.380 8.771 2.394 467 HD21 ASN 58 HD21 ASN 58 -13.829 11.408 4.143 468 HD22 ASN 58 HD22 ASN 58 -15.410 11.721 4.764 469 H GLY 59 HN GLY 59 -12.634 6.445 2.342 470 HA2 GLY 59 HA2 GLY 59 -13.144 4.136 1.724 471 HA3 GLY 59 HA1 GLY 59 -14.836 4.503 2.025 472 H SER 60 HN SER 60 -13.264 7.065 0.522 473 HA SER 60 HA SER 60 -14.542 6.384 -2.019 474 HB2 SER 60 HB2 SER 60 -13.626 8.967 -0.776 475 HB3 SER 60 HB1 SER 60 -13.948 8.863 -2.507 476 HG SER 60 HG SER 60 -15.794 9.525 -1.330 477 H GLU 61 HN GLU 61 -12.006 5.163 -1.183 478 HA GLU 61 HA GLU 61 -9.947 6.428 -2.743 479 HB2 GLU 61 HB2 GLU 61 -8.490 4.870 -1.867 480 HB3 GLU 61 HB1 GLU 61 -9.718 4.919 -0.614 481 HG2 GLU 61 HG2 GLU 61 -10.045 2.894 -2.757 482 HG3 GLU 61 HG1 GLU 61 -8.752 2.654 -1.588 483 H GLN 62 HN GLN 62 -8.688 4.377 -4.036 484 HA GLN 62 HA GLN 62 -10.669 3.336 -5.938 485 HB2 GLN 62 HB2 GLN 62 -8.218 4.971 -6.558 486 HB3 GLN 62 HB1 GLN 62 -8.926 3.889 -7.750 487 HG2 GLN 62 HG2 GLN 62 -10.955 5.550 -6.577 488 HG3 GLN 62 HG1 GLN 62 -9.635 6.535 -7.208 489 HE21 GLN 62 HE21 GLN 62 -10.860 3.436 -8.370 490 HE22 GLN 62 HE22 GLN 62 -11.336 4.004 -9.930 491 H GLY 63 HN GLY 63 -10.268 1.313 -6.697 492 HA2 GLY 63 HA2 GLY 63 -7.659 0.114 -6.031 493 HA3 GLY 63 HA1 GLY 63 -9.148 -0.694 -5.569 494 H SER 64 HN SER 64 -6.793 -1.156 -7.527 495 HA SER 64 HA SER 64 -8.465 -2.324 -9.615 496 HB2 SER 64 HB2 SER 64 -6.071 -0.558 -10.198 497 HB3 SER 64 HB1 SER 64 -6.951 -1.505 -11.397 498 HG SER 64 HG SER 64 -8.474 -0.051 -11.415 499 H TYR 65 HN TYR 65 -8.014 -4.416 -9.222 500 HA TYR 65 HA TYR 65 -5.175 -5.178 -9.026 501 HB2 TYR 65 HB2 TYR 65 -5.932 -5.811 -6.955 502 HB3 TYR 65 HB1 TYR 65 -7.578 -6.076 -7.516 503 HD1 TYR 65 HD1 TYR 65 -4.181 -7.550 -7.424 504 HD2 TYR 65 HD2 TYR 65 -8.318 -8.235 -8.146 505 HE1 TYR 65 HE1 TYR 65 -3.765 -9.973 -7.475 506 HE2 TYR 65 HE2 TYR 65 -7.914 -10.659 -8.198 507 HH TYR 65 HH TYR 65 -6.075 -12.242 -7.155 508 H ASP 66 HN ASP 66 -4.415 -6.808 -10.263 509 HA ASP 66 HA ASP 66 -6.305 -8.083 -12.128 510 HB2 ASP 66 HB2 ASP 66 -3.863 -6.571 -12.635 511 HB3 ASP 66 HB1 ASP 66 -3.821 -8.171 -13.368 512 H ALA 67 HN ALA 67 -6.321 -10.243 -12.128 513 HA ALA 67 HA ALA 67 -4.584 -11.654 -10.317 514 HB1 ALA 67 HB1 ALA 67 -7.037 -12.297 -11.836 515 HB2 ALA 67 HB2 ALA 67 -6.624 -12.617 -10.151 516 HB3 ALA 67 HB3 ALA 67 -5.971 -13.642 -11.429 517 H ASP 68 HN ASP 68 -5.258 -11.888 -13.813 518 HA ASP 68 HA ASP 68 -3.434 -13.870 -14.441 519 HB2 ASP 68 HB2 ASP 68 -5.183 -12.382 -15.879 520 HB3 ASP 68 HB1 ASP 68 -3.658 -11.687 -16.421 521 H LYS 69 HN LYS 69 -2.894 -10.397 -14.098 522 HA LYS 69 HA LYS 69 -0.064 -10.746 -14.734 523 HB2 LYS 69 HB2 LYS 69 -1.386 -8.147 -14.006 524 HB3 LYS 69 HB1 LYS 69 0.069 -8.407 -14.959 525 HG2 LYS 69 HG2 LYS 69 -1.091 -8.881 -16.863 526 HG3 LYS 69 HG1 LYS 69 -2.481 -9.522 -15.987 527 HD2 LYS 69 HD2 LYS 69 -2.575 -7.189 -17.233 528 HD3 LYS 69 HD1 LYS 69 -3.435 -7.464 -15.717 529 HE2 LYS 69 HE2 LYS 69 -1.810 -6.310 -14.465 530 HE3 LYS 69 HE1 LYS 69 -0.642 -6.356 -15.786 531 HZ1 LYS 69 HZ1 LYS 69 -1.371 -4.258 -16.074 532 HZ2 LYS 69 HZ2 LYS 69 -2.870 -4.540 -15.341 533 HZ3 LYS 69 HZ3 LYS 69 -2.610 -5.014 -16.943 534 H GLY 70 HN GLY 70 -2.153 -10.441 -12.028 535 HA2 GLY 70 HA2 GLY 70 -1.730 -10.454 -9.770 536 HA3 GLY 70 HA1 GLY 70 -0.089 -10.940 -10.168 537 H ILE 71 HN ILE 71 -2.127 -8.026 -10.403 538 HA ILE 71 HA ILE 71 -0.060 -6.512 -8.999 539 HB ILE 71 HB ILE 71 -1.137 -5.715 -11.706 540 HG12 ILE 71 HG12 ILE 71 1.757 -6.003 -10.951 541 HG13 ILE 71 HG11 ILE 71 0.816 -7.414 -11.429 542 HG21 ILE 71 HG21 ILE 71 -0.463 -3.596 -11.390 543 HG22 ILE 71 HG22 ILE 71 0.964 -4.080 -10.472 544 HG23 ILE 71 HG23 ILE 71 -0.607 -3.988 -9.677 545 HD11 ILE 71 HD11 ILE 71 0.670 -5.077 -13.219 546 HD12 ILE 71 HD12 ILE 71 0.751 -6.799 -13.595 547 HD13 ILE 71 HD13 ILE 71 2.215 -5.925 -13.144 548 H PHE 72 HN PHE 72 -1.030 -5.472 -7.400 549 HA PHE 72 HA PHE 72 -3.808 -4.573 -7.784 550 HB2 PHE 72 HB2 PHE 72 -3.810 -6.180 -6.042 551 HB3 PHE 72 HB1 PHE 72 -2.351 -5.512 -5.319 552 HD1 PHE 72 HD1 PHE 72 -5.360 -3.683 -6.475 553 HD2 PHE 72 HD2 PHE 72 -3.043 -4.992 -3.155 554 HE1 PHE 72 HE1 PHE 72 -6.739 -2.305 -4.975 555 HE2 PHE 72 HE2 PHE 72 -4.417 -3.616 -1.648 556 HZ PHE 72 HZ PHE 72 -6.268 -2.269 -2.557 557 H THR 73 HN THR 73 -3.985 -2.466 -8.072 558 HA THR 73 HA THR 73 -2.103 -0.677 -6.674 559 HB THR 73 HB THR 73 -3.491 -0.095 -9.293 560 HG1 THR 73 HG1 THR 73 -1.192 -1.494 -8.769 561 HG21 THR 73 HG21 THR 73 -2.345 1.625 -7.470 562 HG22 THR 73 HG22 THR 73 -2.630 1.962 -9.178 563 HG23 THR 73 HG23 THR 73 -1.058 1.361 -8.647 564 H ILE 74 HN ILE 74 -2.976 0.783 -5.321 565 HA ILE 74 HA ILE 74 -5.813 1.480 -5.649 566 HB ILE 74 HB ILE 74 -5.859 -0.250 -4.002 567 HG12 ILE 74 HG12 ILE 74 -6.087 1.677 -1.929 568 HG13 ILE 74 HG11 ILE 74 -6.579 2.462 -3.426 569 HG21 ILE 74 HG21 ILE 74 -3.391 1.026 -3.092 570 HG22 ILE 74 HG22 ILE 74 -3.916 -0.653 -2.966 571 HG23 ILE 74 HG23 ILE 74 -4.474 0.535 -1.788 572 HD11 ILE 74 HD11 ILE 74 -8.553 1.488 -3.260 573 HD12 ILE 74 HD12 ILE 74 -8.032 0.652 -1.797 574 HD13 ILE 74 HD13 ILE 74 -7.782 -0.093 -3.376 575 H ARG 75 HN ARG 75 -6.076 3.605 -5.684 576 HA ARG 75 HA ARG 75 -4.012 5.367 -4.644 577 HB2 ARG 75 HB2 ARG 75 -6.571 6.409 -5.767 578 HB3 ARG 75 HB1 ARG 75 -4.941 7.042 -5.929 579 HG2 ARG 75 HG2 ARG 75 -4.844 4.602 -7.234 580 HG3 ARG 75 HG1 ARG 75 -6.422 5.263 -7.662 581 HD2 ARG 75 HD2 ARG 75 -3.713 6.203 -8.364 582 HD3 ARG 75 HD1 ARG 75 -5.214 6.277 -9.286 583 HE ARG 75 HE ARG 75 -4.121 8.319 -7.634 584 HH11 ARG 75 HH11 ARG 75 -7.123 6.931 -8.725 585 HH12 ARG 75 HH12 ARG 75 -8.026 8.392 -8.507 586 HH21 ARG 75 HH21 ARG 75 -5.302 10.248 -7.344 587 HH22 ARG 75 HH22 ARG 75 -6.992 10.277 -7.722 588 H LEU 76 HN LEU 76 -4.291 6.856 -3.006 589 HA LEU 76 HA LEU 76 -6.774 6.652 -1.451 590 HB2 LEU 76 HB2 LEU 76 -4.019 6.671 -0.231 591 HB3 LEU 76 HB1 LEU 76 -5.546 6.482 0.603 592 HG LEU 76 HG LEU 76 -5.159 4.440 -1.429 593 HD11 LEU 76 HD11 LEU 76 -2.830 4.627 -0.969 594 HD12 LEU 76 HD12 LEU 76 -3.431 3.211 -0.106 595 HD13 LEU 76 HD13 LEU 76 -3.121 4.711 0.769 596 HD21 LEU 76 HD21 LEU 76 -5.306 3.364 1.164 597 HD22 LEU 76 HD22 LEU 76 -6.601 3.510 -0.023 598 HD23 LEU 76 HD23 LEU 76 -6.337 4.795 1.155 599 HA PRO 77 HA PRO 77 -6.457 11.083 -1.779 600 HB2 PRO 77 HB2 PRO 77 -8.443 11.652 0.016 601 HB3 PRO 77 HB1 PRO 77 -8.738 11.190 -1.662 602 HG2 PRO 77 HG2 PRO 77 -8.842 9.507 0.811 603 HG3 PRO 77 HG1 PRO 77 -9.948 9.530 -0.576 604 HD2 PRO 77 HD2 PRO 77 -8.065 7.628 -0.290 605 HD3 PRO 77 HD1 PRO 77 -8.530 8.253 -1.885 606 H LYS 78 HN LYS 78 -5.667 12.804 -0.539 607 HA LYS 78 HA LYS 78 -4.333 11.979 1.924 608 HB2 LYS 78 HB2 LYS 78 -3.937 14.493 0.294 609 HB3 LYS 78 HB1 LYS 78 -2.926 13.935 1.621 610 HG2 LYS 78 HG2 LYS 78 -3.051 11.831 -0.248 611 HG3 LYS 78 HG1 LYS 78 -2.754 13.315 -1.156 612 HD2 LYS 78 HD2 LYS 78 -0.801 13.800 0.100 613 HD3 LYS 78 HD1 LYS 78 -1.183 12.561 1.299 614 HE2 LYS 78 HE2 LYS 78 -0.594 10.824 -0.127 615 HE3 LYS 78 HE1 LYS 78 -0.771 11.819 -1.570 616 HZ1 LYS 78 HZ1 LYS 78 1.577 11.223 -0.616 617 HZ2 LYS 78 HZ2 LYS 78 1.286 12.559 0.378 618 HZ3 LYS 78 HZ3 LYS 78 1.279 12.741 -1.302 619 H GLU 79 HN GLU 79 -4.291 13.433 3.761 620 HA GLU 79 HA GLU 79 -6.922 14.544 4.262 621 HB2 GLU 79 HB2 GLU 79 -6.129 13.306 6.085 622 HB3 GLU 79 HB1 GLU 79 -4.510 13.979 5.961 623 HG2 GLU 79 HG2 GLU 79 -6.822 15.739 6.650 624 HG3 GLU 79 HG1 GLU 79 -6.066 14.729 7.883 625 H THR 80 HN THR 80 -4.119 15.675 2.918 626 HA THR 80 HA THR 80 -4.945 18.428 3.287 627 HB THR 80 HB THR 80 -2.155 17.540 4.041 628 HG1 THR 80 HG1 THR 80 -4.033 18.893 5.685 629 HG21 THR 80 HG21 THR 80 -2.628 20.215 4.767 630 HG22 THR 80 HG22 THR 80 -3.156 20.052 3.092 631 HG23 THR 80 HG23 THR 80 -1.510 19.609 3.546 632 HA PRO 81 HA PRO 81 -3.987 18.125 -1.082 633 HB2 PRO 81 HB2 PRO 81 -4.184 21.081 -0.791 634 HB3 PRO 81 HB1 PRO 81 -4.977 20.010 -1.951 635 HG2 PRO 81 HG2 PRO 81 -6.331 21.048 0.098 636 HG3 PRO 81 HG1 PRO 81 -6.630 19.389 -0.452 637 HD2 PRO 81 HD2 PRO 81 -5.148 20.354 1.950 638 HD3 PRO 81 HD1 PRO 81 -6.157 18.908 1.749 639 H GLY 82 HN GLY 82 -2.148 18.367 -2.283 640 HA2 GLY 82 HA2 GLY 82 -0.035 19.106 -2.876 641 HA3 GLY 82 HA1 GLY 82 -0.119 20.290 -1.582 642 H GLN 83 HN GLN 83 -0.889 17.389 -0.219 643 HA GLN 83 HA GLN 83 1.550 17.214 1.218 644 HB2 GLN 83 HB2 GLN 83 -0.359 16.458 2.364 645 HB3 GLN 83 HB1 GLN 83 -0.881 15.456 1.018 646 HG2 GLN 83 HG2 GLN 83 -0.105 13.922 2.560 647 HG3 GLN 83 HG1 GLN 83 1.257 14.106 1.457 648 HE21 GLN 83 HE21 GLN 83 0.212 14.262 4.657 649 HE22 GLN 83 HE22 GLN 83 1.643 14.929 5.356 650 H HIS 84 HN HIS 84 3.407 16.306 0.621 651 HA HIS 84 HA HIS 84 3.336 14.237 -1.479 652 HB2 HIS 84 HB2 HIS 84 4.294 16.371 -2.258 653 HB3 HIS 84 HB1 HIS 84 5.492 16.296 -0.970 654 HD1 HIS 84 HD1 HIS 84 6.243 16.381 -3.993 655 HD2 HIS 84 HD2 HIS 84 5.974 12.930 -1.696 656 HE1 HIS 84 HE1 HIS 84 7.691 14.687 -5.157 657 HE2 HIS 84 HE2 HIS 84 7.447 12.582 -3.794 658 H PHE 85 HN PHE 85 3.795 12.302 -0.636 659 HA PHE 85 HA PHE 85 5.302 11.994 1.787 660 HB2 PHE 85 HB2 PHE 85 4.307 9.936 -0.195 661 HB3 PHE 85 HB1 PHE 85 4.964 9.584 1.393 662 HD1 PHE 85 HD2 PHE 85 3.387 12.334 2.288 663 HD2 PHE 85 HD1 PHE 85 2.386 8.535 0.652 664 HE1 PHE 85 HE2 PHE 85 1.130 12.516 3.251 665 HE2 PHE 85 HE1 PHE 85 0.128 8.710 1.611 666 HZ PHE 85 HZ PHE 85 -0.502 10.701 2.914 667 H GLU 86 HN GLU 86 7.371 12.812 1.322 668 HA GLU 86 HA GLU 86 8.880 11.983 -0.933 669 HB2 GLU 86 HB2 GLU 86 9.176 13.822 1.231 670 HB3 GLU 86 HB1 GLU 86 10.631 12.842 1.125 671 HG2 GLU 86 HG2 GLU 86 10.382 13.413 -1.446 672 HG3 GLU 86 HG1 GLU 86 9.514 14.801 -0.793 673 H GLY 87 HN GLY 87 11.129 11.051 -0.605 674 HA2 GLY 87 HA2 GLY 87 12.193 9.002 -0.400 675 HA3 GLY 87 HA1 GLY 87 12.105 9.450 1.294 676 H LEU 88 HN LEU 88 9.448 8.454 -0.855 677 HA LEU 88 HA LEU 88 8.310 6.738 1.051 678 HB2 LEU 88 HB2 LEU 88 7.948 7.232 -1.834 679 HB3 LEU 88 HB1 LEU 88 7.352 5.699 -1.237 680 HG LEU 88 HG LEU 88 6.555 8.360 -0.061 681 HD11 LEU 88 HD11 LEU 88 4.695 8.440 -1.415 682 HD12 LEU 88 HD12 LEU 88 4.771 6.722 -1.804 683 HD13 LEU 88 HD13 LEU 88 5.920 7.844 -2.535 684 HD21 LEU 88 HD21 LEU 88 5.341 5.611 0.197 685 HD22 LEU 88 HD22 LEU 88 4.776 7.087 0.981 686 HD23 LEU 88 HD23 LEU 88 6.342 6.402 1.416 687 H ASN 89 HN ASN 89 9.961 5.751 -1.995 688 HA ASN 89 HA ASN 89 10.361 3.104 -0.896 689 HB2 ASN 89 HB2 ASN 89 11.025 2.446 -3.059 690 HB3 ASN 89 HB1 ASN 89 9.746 3.626 -3.328 691 HD21 ASN 89 HD21 ASN 89 11.782 2.842 -5.165 692 HD22 ASN 89 HD22 ASN 89 12.712 4.251 -5.530 693 H MET 90 HN MET 90 11.798 5.754 -0.106 694 HA MET 90 HA MET 90 14.547 4.710 -0.267 695 HB2 MET 90 HB2 MET 90 13.445 7.498 -0.009 696 HB3 MET 90 HB1 MET 90 15.084 7.134 0.508 697 HG2 MET 90 HG2 MET 90 14.903 6.024 -2.025 698 HG3 MET 90 HG1 MET 90 14.025 7.549 -2.145 699 HE1 MET 90 HE1 MET 90 15.294 10.031 -1.624 700 HE2 MET 90 HE2 MET 90 15.116 9.269 -3.203 701 HE3 MET 90 HE3 MET 90 16.652 10.004 -2.748 702 H LEU 91 HN LEU 91 11.968 5.846 1.755 703 HA LEU 91 HA LEU 91 13.109 6.138 4.218 704 HB2 LEU 91 HB2 LEU 91 10.499 5.654 3.140 705 HB3 LEU 91 HB1 LEU 91 10.707 4.671 4.580 706 HG LEU 91 HG LEU 91 11.150 7.656 4.485 707 HD11 LEU 91 HD11 LEU 91 8.746 6.540 4.189 708 HD12 LEU 91 HD12 LEU 91 9.005 8.019 5.113 709 HD13 LEU 91 HD13 LEU 91 8.869 6.471 5.947 710 HD21 LEU 91 HD21 LEU 91 11.121 5.635 6.714 711 HD22 LEU 91 HD22 LEU 91 10.965 7.372 6.983 712 HD23 LEU 91 HD23 LEU 91 12.430 6.722 6.246 713 H THR 92 HN THR 92 12.672 4.509 6.103 714 HA THR 92 HA THR 92 13.698 1.868 5.280 715 HB THR 92 HB THR 92 14.910 1.748 7.413 716 HG1 THR 92 HG1 THR 92 14.110 4.466 7.755 717 HG21 THR 92 HG21 THR 92 15.469 4.046 5.571 718 HG22 THR 92 HG22 THR 92 16.285 2.485 5.681 719 HG23 THR 92 HG23 THR 92 16.526 3.697 6.941 720 H ALA 93 HN ALA 93 13.351 0.205 7.101 721 HA ALA 93 HA ALA 93 10.535 0.371 7.870 722 HB1 ALA 93 HB1 ALA 93 12.085 -1.701 6.805 723 HB2 ALA 93 HB2 ALA 93 10.413 -1.786 7.360 724 HB3 ALA 93 HB3 ALA 93 11.730 -2.172 8.468 725 H LEU 94 HN LEU 94 9.888 0.563 9.921 726 HA LEU 94 HA LEU 94 11.910 0.243 12.041 727 HB2 LEU 94 HB2 LEU 94 10.569 1.995 13.277 728 HB3 LEU 94 HB1 LEU 94 11.507 2.555 11.906 729 HG LEU 94 HG LEU 94 8.720 1.829 11.285 730 HD11 LEU 94 HD11 LEU 94 8.754 4.499 12.365 731 HD12 LEU 94 HD12 LEU 94 9.146 3.309 13.607 732 HD13 LEU 94 HD13 LEU 94 7.645 3.168 12.692 733 HD21 LEU 94 HD21 LEU 94 8.855 3.793 9.907 734 HD22 LEU 94 HD22 LEU 94 10.324 2.842 9.688 735 HD23 LEU 94 HD23 LEU 94 10.353 4.291 10.692 736 H LEU 95 HN LEU 95 11.442 -1.221 13.546 737 HA LEU 95 HA LEU 95 8.707 -2.266 13.673 738 HB2 LEU 95 HB2 LEU 95 11.400 -3.387 14.261 739 HB3 LEU 95 HB1 LEU 95 10.038 -4.005 15.179 740 HG LEU 95 HG LEU 95 8.913 -4.481 12.955 741 HD11 LEU 95 HD11 LEU 95 10.380 -4.698 11.013 742 HD12 LEU 95 HD12 LEU 95 11.711 -4.005 11.940 743 HD13 LEU 95 HD13 LEU 95 10.291 -3.026 11.570 744 HD21 LEU 95 HD21 LEU 95 11.299 -5.878 14.053 745 HD22 LEU 95 HD22 LEU 95 10.612 -6.446 12.532 746 HD23 LEU 95 HD23 LEU 95 9.615 -6.398 13.986 747 H ALA 96 HN ALA 96 7.491 -2.173 15.500 748 HA ALA 96 HA ALA 96 6.814 -1.587 17.592 749 HB1 ALA 96 HB1 ALA 96 8.172 -2.547 19.062 750 HB2 ALA 96 HB2 ALA 96 9.170 -1.093 19.039 751 HB3 ALA 96 HB3 ALA 96 9.531 -2.427 17.945 Start of MODEL 7 1 H MET 1 H MET 1 10.953 -18.411 0.608 2 HA MET 1 HA MET 1 9.111 -16.998 1.287 3 HB2 MET 1 HB2 MET 1 10.208 -17.242 3.763 4 HB3 MET 1 HB1 MET 1 10.832 -15.668 3.288 5 HG2 MET 1 HG2 MET 1 7.926 -16.280 2.987 6 HG3 MET 1 HG1 MET 1 8.585 -15.837 4.561 7 HE1 MET 1 HE1 MET 1 6.388 -13.579 2.389 8 HE2 MET 1 HE2 MET 1 6.810 -12.739 3.881 9 HE3 MET 1 HE3 MET 1 6.471 -14.469 3.909 10 H LEU 2 HN LEU 2 9.124 -15.419 -0.168 11 HA LEU 2 HA LEU 2 11.584 -13.869 -0.561 12 HB2 LEU 2 HB2 LEU 2 11.357 -13.980 -2.959 13 HB3 LEU 2 HB1 LEU 2 11.452 -15.604 -2.303 14 HG LEU 2 HG LEU 2 8.717 -15.050 -2.425 15 HD11 LEU 2 HD11 LEU 2 9.302 -13.112 -3.862 16 HD12 LEU 2 HD12 LEU 2 8.308 -14.323 -4.672 17 HD13 LEU 2 HD13 LEU 2 10.037 -14.234 -5.007 18 HD21 LEU 2 HD21 LEU 2 9.307 -16.541 -4.675 19 HD22 LEU 2 HD22 LEU 2 9.009 -17.168 -3.053 20 HD23 LEU 2 HD23 LEU 2 10.661 -16.862 -3.591 21 H THR 3 HN THR 3 11.290 -11.737 -0.789 22 HA THR 3 HA THR 3 8.629 -10.684 -0.403 23 HB THR 3 HB THR 3 10.888 -8.832 -0.910 24 HG1 THR 3 HG1 THR 3 12.028 -9.395 0.820 25 HG21 THR 3 HG21 THR 3 9.034 -7.699 -0.167 26 HG22 THR 3 HG22 THR 3 9.866 -7.993 1.360 27 HG23 THR 3 HG23 THR 3 8.513 -9.018 0.881 28 HA PRO 4 HA PRO 4 7.875 -9.795 -4.677 29 HB2 PRO 4 HB2 PRO 4 5.830 -8.055 -4.377 30 HB3 PRO 4 HB1 PRO 4 5.647 -9.786 -4.075 31 HG2 PRO 4 HG2 PRO 4 6.046 -7.552 -2.123 32 HG3 PRO 4 HG1 PRO 4 4.956 -8.948 -2.022 33 HD2 PRO 4 HD2 PRO 4 7.355 -8.822 -0.730 34 HD3 PRO 4 HD1 PRO 4 6.615 -10.344 -1.266 35 H ALA 5 HN ALA 5 8.049 -8.045 -6.213 36 HA ALA 5 HA ALA 5 9.790 -5.924 -5.257 37 HB1 ALA 5 HB1 ALA 5 8.977 -6.536 -8.095 38 HB2 ALA 5 HB2 ALA 5 10.374 -7.240 -7.282 39 HB3 ALA 5 HB3 ALA 5 10.302 -5.501 -7.564 40 H PHE 6 HN PHE 6 7.554 -5.288 -4.133 41 HA PHE 6 HA PHE 6 5.663 -3.888 -5.706 42 HB2 PHE 6 HB2 PHE 6 4.771 -3.102 -3.604 43 HB3 PHE 6 HB1 PHE 6 5.209 -4.794 -3.433 44 HD1 PHE 6 HD2 PHE 6 6.071 -1.351 -2.504 45 HD2 PHE 6 HD1 PHE 6 6.970 -5.476 -1.961 46 HE1 PHE 6 HE2 PHE 6 7.435 -0.791 -0.534 47 HE2 PHE 6 HE1 PHE 6 8.332 -4.924 0.011 48 HZ PHE 6 HZ PHE 6 8.568 -2.579 0.726 49 H ASP 7 HN ASP 7 5.219 -1.519 -5.421 50 HA ASP 7 HA ASP 7 7.546 0.141 -4.903 51 HB2 ASP 7 HB2 ASP 7 7.083 -0.685 -7.503 52 HB3 ASP 7 HB1 ASP 7 6.305 0.894 -7.442 53 H LEU 8 HN LEU 8 7.004 2.431 -4.768 54 HA LEU 8 HA LEU 8 4.119 2.842 -4.347 55 HB2 LEU 8 HB2 LEU 8 6.131 4.459 -2.856 56 HB3 LEU 8 HB1 LEU 8 4.488 4.036 -2.413 57 HG LEU 8 HG LEU 8 6.369 1.771 -2.577 58 HD11 LEU 8 HD11 LEU 8 6.574 3.781 -0.341 59 HD12 LEU 8 HD12 LEU 8 7.788 3.527 -1.594 60 HD13 LEU 8 HD13 LEU 8 7.418 2.236 -0.451 61 HD21 LEU 8 HD21 LEU 8 5.019 1.938 -0.115 62 HD22 LEU 8 HD22 LEU 8 4.659 0.881 -1.480 63 HD23 LEU 8 HD23 LEU 8 3.876 2.456 -1.353 64 H SER 9 HN SER 9 3.177 4.622 -5.083 65 HA SER 9 HA SER 9 4.758 6.774 -6.268 66 HB2 SER 9 HB2 SER 9 3.349 6.756 -8.307 67 HB3 SER 9 HB1 SER 9 4.258 5.254 -8.141 68 HG SER 9 HG SER 9 2.427 4.248 -8.131 69 H GLN 10 HN GLN 10 3.889 8.733 -5.780 70 HA GLN 10 HA GLN 10 1.109 8.738 -4.819 71 HB2 GLN 10 HB2 GLN 10 1.644 9.910 -2.895 72 HB3 GLN 10 HB1 GLN 10 2.977 8.774 -3.039 73 HG2 GLN 10 HG2 GLN 10 3.070 11.628 -3.983 74 HG3 GLN 10 HG1 GLN 10 3.666 11.071 -2.421 75 HE21 GLN 10 HE21 GLN 10 4.240 11.232 -5.813 76 HE22 GLN 10 HE22 GLN 10 5.831 10.559 -5.796 77 H ASP 11 HN ASP 11 -0.104 10.513 -5.145 78 HA ASP 11 HA ASP 11 0.972 12.530 -6.992 79 HB2 ASP 11 HB2 ASP 11 -1.639 11.135 -6.785 80 HB3 ASP 11 HB1 ASP 11 -1.696 12.835 -7.236 81 HA PRO 12 HA PRO 12 0.367 15.793 -4.123 82 HB2 PRO 12 HB2 PRO 12 -0.926 17.697 -5.617 83 HB3 PRO 12 HB1 PRO 12 0.802 17.352 -5.715 84 HG2 PRO 12 HG2 PRO 12 -1.420 16.410 -7.482 85 HG3 PRO 12 HG1 PRO 12 0.199 16.985 -7.928 86 HD2 PRO 12 HD2 PRO 12 -0.399 14.367 -7.871 87 HD3 PRO 12 HD1 PRO 12 1.201 14.967 -7.388 88 H ASP 13 HN ASP 13 -2.303 14.057 -5.205 89 HA ASP 13 HA ASP 13 -3.965 15.312 -3.158 90 HB2 ASP 13 HB2 ASP 13 -4.835 14.722 -5.988 91 HB3 ASP 13 HB1 ASP 13 -5.971 14.962 -4.666 92 H PHE 14 HN PHE 14 -2.391 12.699 -3.949 93 HA PHE 14 HA PHE 14 -3.941 10.927 -2.363 94 HB2 PHE 14 HB2 PHE 14 -3.778 10.057 -5.250 95 HB3 PHE 14 HB1 PHE 14 -4.666 9.296 -3.938 96 HD1 PHE 14 HD1 PHE 14 -4.606 12.137 -6.272 97 HD2 PHE 14 HD2 PHE 14 -6.853 10.009 -3.350 98 HE1 PHE 14 HE1 PHE 14 -6.632 13.366 -6.940 99 HE2 PHE 14 HE2 PHE 14 -8.882 11.232 -4.014 100 HZ PHE 14 HZ PHE 14 -8.774 12.913 -5.810 101 H LEU 15 HN LEU 15 -3.086 8.646 -2.497 102 HA LEU 15 HA LEU 15 -0.255 8.511 -3.281 103 HB2 LEU 15 HB2 LEU 15 -0.095 8.904 -0.942 104 HB3 LEU 15 HB1 LEU 15 -1.453 7.853 -0.597 105 HG LEU 15 HG LEU 15 1.038 7.103 -0.128 106 HD11 LEU 15 HD11 LEU 15 0.081 4.709 -0.958 107 HD12 LEU 15 HD12 LEU 15 -1.404 5.654 -0.862 108 HD13 LEU 15 HD13 LEU 15 -0.369 5.496 0.555 109 HD21 LEU 15 HD21 LEU 15 1.347 7.442 -2.749 110 HD22 LEU 15 HD22 LEU 15 0.770 5.776 -2.762 111 HD23 LEU 15 HD23 LEU 15 2.217 6.202 -1.846 112 H THR 16 HN THR 16 -0.062 6.771 -4.685 113 HA THR 16 HA THR 16 -2.028 4.624 -4.365 114 HB THR 16 HB THR 16 -0.533 5.691 -6.749 115 HG1 THR 16 HG1 THR 16 -2.681 6.462 -6.243 116 HG21 THR 16 HG21 THR 16 -1.915 3.608 -7.795 117 HG22 THR 16 HG22 THR 16 -1.379 2.916 -6.264 118 HG23 THR 16 HG23 THR 16 -0.197 3.561 -7.402 119 H ILE 17 HN ILE 17 -1.343 2.498 -4.352 120 HA ILE 17 HA ILE 17 1.551 2.119 -3.982 121 HB ILE 17 HB ILE 17 -0.582 0.441 -2.674 122 HG12 ILE 17 HG12 ILE 17 0.761 2.979 -1.762 123 HG13 ILE 17 HG11 ILE 17 -0.950 2.563 -1.715 124 HG21 ILE 17 HG21 ILE 17 1.471 -0.720 -2.766 125 HG22 ILE 17 HG22 ILE 17 1.377 -0.053 -1.136 126 HG23 ILE 17 HG23 ILE 17 2.396 0.723 -2.348 127 HD11 ILE 17 HD11 ILE 17 -0.468 2.306 0.472 128 HD12 ILE 17 HD12 ILE 17 1.222 1.902 0.171 129 HD13 ILE 17 HD13 ILE 17 -0.033 0.686 -0.072 130 H ALA 18 HN ALA 18 2.420 0.077 -4.644 131 HA ALA 18 HA ALA 18 0.748 -1.400 -6.553 132 HB1 ALA 18 HB1 ALA 18 3.366 -0.072 -7.081 133 HB2 ALA 18 HB2 ALA 18 1.908 -0.122 -8.073 134 HB3 ALA 18 HB3 ALA 18 2.942 -1.546 -7.952 135 H ILE 19 HN ILE 19 0.614 -3.381 -5.775 136 HA ILE 19 HA ILE 19 3.082 -4.698 -4.850 137 HB ILE 19 HB ILE 19 0.357 -5.342 -3.742 138 HG12 ILE 19 HG12 ILE 19 2.357 -3.694 -2.234 139 HG13 ILE 19 HG11 ILE 19 1.254 -2.909 -3.360 140 HG21 ILE 19 HG21 ILE 19 3.070 -5.818 -2.536 141 HG22 ILE 19 HG22 ILE 19 2.265 -6.983 -3.586 142 HG23 ILE 19 HG23 ILE 19 1.525 -6.518 -2.055 143 HD11 ILE 19 HD11 ILE 19 -0.646 -3.798 -2.128 144 HD12 ILE 19 HD12 ILE 19 0.407 -2.845 -1.082 145 HD13 ILE 19 HD13 ILE 19 0.452 -4.607 -1.009 146 H ARG 20 HN ARG 20 3.593 -6.427 -6.063 147 HA ARG 20 HA ARG 20 1.467 -7.656 -7.676 148 HB2 ARG 20 HB2 ARG 20 4.257 -8.392 -8.268 149 HB3 ARG 20 HB1 ARG 20 2.952 -7.960 -9.360 150 HG2 ARG 20 HG2 ARG 20 3.681 -5.864 -9.559 151 HG3 ARG 20 HG1 ARG 20 3.914 -5.682 -7.823 152 HD2 ARG 20 HD2 ARG 20 6.099 -6.213 -7.924 153 HD3 ARG 20 HD1 ARG 20 5.850 -7.441 -9.161 154 HE ARG 20 HE ARG 20 6.346 -4.595 -9.589 155 HH11 ARG 20 HH11 ARG 20 5.635 -7.725 -10.962 156 HH12 ARG 20 HH12 ARG 20 6.148 -7.281 -12.553 157 HH21 ARG 20 HH21 ARG 20 7.021 -4.012 -11.686 158 HH22 ARG 20 HH22 ARG 20 6.932 -5.175 -12.967 159 H VAL 21 HN VAL 21 0.728 -9.564 -7.035 160 HA VAL 21 HA VAL 21 2.563 -11.476 -5.783 161 HB VAL 21 HB VAL 21 0.757 -12.076 -4.130 162 HG11 VAL 21 HG11 VAL 21 2.815 -10.618 -3.698 163 HG12 VAL 21 HG12 VAL 21 1.495 -10.537 -2.531 164 HG13 VAL 21 HG13 VAL 21 1.695 -9.255 -3.725 165 HG21 VAL 21 HG21 VAL 21 -0.378 -9.434 -5.036 166 HG22 VAL 21 HG22 VAL 21 -0.897 -10.321 -3.603 167 HG23 VAL 21 HG23 VAL 21 -1.133 -11.019 -5.205 168 H SER 22 HN SER 22 2.257 -13.543 -6.420 169 HA SER 22 HA SER 22 -0.077 -14.091 -8.131 170 HB2 SER 22 HB2 SER 22 2.785 -14.828 -8.317 171 HB3 SER 22 HB1 SER 22 1.642 -16.103 -8.736 172 HG SER 22 HG SER 22 1.497 -15.124 -10.580 173 H TYR 23 HN TYR 23 1.952 -15.351 -5.543 174 HA TYR 23 HA TYR 23 0.674 -17.840 -5.232 175 HB2 TYR 23 HB2 TYR 23 2.312 -16.130 -3.368 176 HB3 TYR 23 HB1 TYR 23 1.620 -17.661 -2.845 177 HD1 TYR 23 HD1 TYR 23 2.689 -17.390 -6.309 178 HD2 TYR 23 HD2 TYR 23 3.920 -18.452 -2.377 179 HE1 TYR 23 HE1 TYR 23 4.624 -18.582 -7.242 180 HE2 TYR 23 HE2 TYR 23 5.860 -19.648 -3.301 181 HH TYR 23 HH TYR 23 7.252 -19.503 -5.471 182 H ALA 24 HN ALA 24 -0.477 -14.741 -4.675 183 HA ALA 24 HA ALA 24 -1.878 -14.350 -2.542 184 HB1 ALA 24 HB1 ALA 24 -3.813 -14.454 -4.731 185 HB2 ALA 24 HB2 ALA 24 -2.318 -13.603 -5.123 186 HB3 ALA 24 HB3 ALA 24 -3.287 -13.096 -3.738 187 H ARG 25 HN ARG 25 -2.136 -16.159 -1.234 188 HA ARG 25 HA ARG 25 -3.691 -18.419 -1.992 189 HB2 ARG 25 HB2 ARG 25 -1.994 -17.769 0.116 190 HB3 ARG 25 HB1 ARG 25 -3.571 -17.927 0.876 191 HG2 ARG 25 HG2 ARG 25 -3.057 -20.083 -0.982 192 HG3 ARG 25 HG1 ARG 25 -1.813 -19.970 0.265 193 HD2 ARG 25 HD2 ARG 25 -4.354 -19.600 1.489 194 HD3 ARG 25 HD1 ARG 25 -4.434 -21.037 0.471 195 HE ARG 25 HE ARG 25 -2.965 -22.097 1.889 196 HH11 ARG 25 HH11 ARG 25 -3.067 -18.695 2.637 197 HH12 ARG 25 HH12 ARG 25 -2.204 -18.867 4.130 198 HH21 ARG 25 HH21 ARG 25 -1.827 -22.333 3.848 199 HH22 ARG 25 HH22 ARG 25 -1.497 -20.936 4.817 200 H VAL 26 HN VAL 26 -4.408 -16.241 0.727 201 HA VAL 26 HA VAL 26 -7.039 -16.728 1.060 202 HB VAL 26 HB VAL 26 -7.347 -14.517 1.953 203 HG11 VAL 26 HG11 VAL 26 -5.929 -16.071 3.227 204 HG12 VAL 26 HG12 VAL 26 -5.495 -14.386 3.508 205 HG13 VAL 26 HG13 VAL 26 -4.503 -15.387 2.448 206 HG21 VAL 26 HG21 VAL 26 -4.795 -13.765 0.530 207 HG22 VAL 26 HG22 VAL 26 -5.707 -12.730 1.630 208 HG23 VAL 26 HG23 VAL 26 -6.420 -13.234 0.098 209 H SER 27 HN SER 27 -8.858 -16.545 -0.078 210 HA SER 27 HA SER 27 -8.891 -15.827 -2.779 211 HB2 SER 27 HB2 SER 27 -11.227 -15.935 -0.855 212 HB3 SER 27 HB1 SER 27 -11.334 -15.988 -2.615 213 HG SER 27 HG SER 27 -11.371 -18.080 -2.000 214 H GLU 28 HN GLU 28 -9.347 -13.953 0.106 215 HA GLU 28 HA GLU 28 -9.649 -11.540 -1.545 216 HB2 GLU 28 HB2 GLU 28 -11.300 -10.627 -0.134 217 HB3 GLU 28 HB1 GLU 28 -11.804 -12.292 -0.393 218 HG2 GLU 28 HG2 GLU 28 -11.104 -12.944 1.763 219 HG3 GLU 28 HG1 GLU 28 -10.222 -11.438 2.011 220 H PHE 29 HN PHE 29 -8.578 -9.710 -0.796 221 HA PHE 29 HA PHE 29 -6.585 -10.245 1.290 222 HB2 PHE 29 HB2 PHE 29 -6.453 -7.813 -0.434 223 HB3 PHE 29 HB1 PHE 29 -5.147 -8.796 0.220 224 HD1 PHE 29 HD1 PHE 29 -6.328 -11.469 -0.760 225 HD2 PHE 29 HD2 PHE 29 -5.623 -7.729 -2.662 226 HE1 PHE 29 HE1 PHE 29 -6.105 -12.617 -2.925 227 HE2 PHE 29 HE2 PHE 29 -5.401 -8.868 -4.831 228 HZ PHE 29 HZ PHE 29 -5.643 -11.316 -4.965 229 H ASP 30 HN ASP 30 -5.979 -8.381 2.688 230 HA ASP 30 HA ASP 30 -8.356 -6.780 3.365 231 HB2 ASP 30 HB2 ASP 30 -6.315 -7.387 5.453 232 HB3 ASP 30 HB1 ASP 30 -8.052 -7.147 5.615 233 H VAL 31 HN VAL 31 -8.096 -4.692 3.044 234 HA VAL 31 HA VAL 31 -5.399 -3.534 3.321 235 HB VAL 31 HB VAL 31 -7.535 -2.459 1.483 236 HG11 VAL 31 HG11 VAL 31 -4.562 -1.982 1.652 237 HG12 VAL 31 HG12 VAL 31 -5.830 -0.860 2.146 238 HG13 VAL 31 HG13 VAL 31 -5.644 -1.288 0.445 239 HG21 VAL 31 HG21 VAL 31 -7.061 -3.968 -0.078 240 HG22 VAL 31 HG22 VAL 31 -6.157 -4.864 1.143 241 HG23 VAL 31 HG23 VAL 31 -5.329 -3.699 0.110 242 H TYR 32 HN TYR 32 -5.251 -2.114 4.928 243 HA TYR 32 HA TYR 32 -7.602 -0.495 5.615 244 HB2 TYR 32 HB2 TYR 32 -5.822 -1.843 7.654 245 HB3 TYR 32 HB1 TYR 32 -7.251 -0.868 7.984 246 HD1 TYR 32 HD2 TYR 32 -9.498 -1.731 7.120 247 HD2 TYR 32 HD1 TYR 32 -6.009 -4.156 7.328 248 HE1 TYR 32 HE2 TYR 32 -10.902 -3.746 7.020 249 HE2 TYR 32 HE1 TYR 32 -7.404 -6.179 7.225 250 HH TYR 32 HH TYR 32 -9.684 -6.869 7.673 251 H PHE 33 HN PHE 33 -7.171 1.608 5.880 252 HA PHE 33 HA PHE 33 -4.377 2.398 6.321 253 HB2 PHE 33 HB2 PHE 33 -4.827 4.378 4.836 254 HB3 PHE 33 HB1 PHE 33 -4.787 2.825 4.010 255 HD1 PHE 33 HD1 PHE 33 -7.090 1.662 3.673 256 HD2 PHE 33 HD2 PHE 33 -6.594 5.815 4.464 257 HE1 PHE 33 HE1 PHE 33 -9.308 2.107 2.707 258 HE2 PHE 33 HE2 PHE 33 -8.814 6.266 3.500 259 HZ PHE 33 HZ PHE 33 -10.174 4.411 2.621 260 H GLU 34 HN GLU 34 -4.090 3.577 8.069 261 HA GLU 34 HA GLU 34 -6.222 5.401 8.916 262 HB2 GLU 34 HB2 GLU 34 -6.160 3.125 10.173 263 HB3 GLU 34 HB1 GLU 34 -4.739 3.794 10.967 264 HG2 GLU 34 HG2 GLU 34 -6.228 5.813 11.477 265 HG3 GLU 34 HG1 GLU 34 -7.569 4.748 11.063 266 H GLY 35 HN GLY 35 -5.311 7.343 8.777 267 HA2 GLY 35 HA2 GLY 35 -3.683 8.984 8.823 268 HA3 GLY 35 HA1 GLY 35 -3.519 8.416 10.476 269 H SER 36 HN SER 36 -2.373 7.849 7.182 270 HA SER 36 HA SER 36 -0.316 7.323 6.365 271 HB2 SER 36 HB2 SER 36 1.232 7.523 8.819 272 HB3 SER 36 HB1 SER 36 1.348 8.471 7.337 273 HG SER 36 HG SER 36 0.144 9.978 8.204 274 H ASP 37 HN ASP 37 -1.948 5.443 8.424 275 HA ASP 37 HA ASP 37 0.173 3.418 8.650 276 HB2 ASP 37 HB2 ASP 37 -2.546 3.486 9.979 277 HB3 ASP 37 HB1 ASP 37 -1.310 2.261 10.232 278 H PHE 38 HN PHE 38 0.268 2.299 6.805 279 HA PHE 38 HA PHE 38 -2.254 1.383 5.591 280 HB2 PHE 38 HB2 PHE 38 -0.772 2.644 4.092 281 HB3 PHE 38 HB1 PHE 38 0.518 1.480 4.385 282 HD1 PHE 38 HD1 PHE 38 -2.719 2.037 2.763 283 HD2 PHE 38 HD2 PHE 38 0.501 -0.688 3.341 284 HE1 PHE 38 HE1 PHE 38 -3.551 0.663 0.899 285 HE2 PHE 38 HE2 PHE 38 -0.325 -2.064 1.478 286 HZ PHE 38 HZ PHE 38 -2.354 -1.390 0.254 287 H LYS 39 HN LYS 39 -2.858 -0.594 6.176 288 HA LYS 39 HA LYS 39 -0.765 -2.620 6.605 289 HB2 LYS 39 HB2 LYS 39 -3.544 -2.914 7.679 290 HB3 LYS 39 HB1 LYS 39 -2.043 -3.613 8.271 291 HG2 LYS 39 HG2 LYS 39 -2.348 -0.661 8.370 292 HG3 LYS 39 HG1 LYS 39 -3.241 -1.642 9.533 293 HD2 LYS 39 HD2 LYS 39 -0.519 -2.557 9.309 294 HD3 LYS 39 HD1 LYS 39 -0.566 -0.835 9.692 295 HE2 LYS 39 HE2 LYS 39 -2.521 -2.013 11.304 296 HE3 LYS 39 HE1 LYS 39 -1.140 -3.106 11.370 297 HZ1 LYS 39 HZ1 LYS 39 0.137 -1.580 12.418 298 HZ2 LYS 39 HZ2 LYS 39 -1.366 -1.024 12.957 299 HZ3 LYS 39 HZ3 LYS 39 -0.595 -0.255 11.663 300 H PHE 40 HN PHE 40 -0.614 -4.011 4.996 301 HA PHE 40 HA PHE 40 -3.053 -4.726 3.495 302 HB2 PHE 40 HB2 PHE 40 -1.340 -3.590 2.136 303 HB3 PHE 40 HB1 PHE 40 -0.162 -4.814 2.595 304 HD1 PHE 40 HD2 PHE 40 -3.211 -4.160 0.651 305 HD2 PHE 40 HD1 PHE 40 -0.123 -6.948 1.546 306 HE1 PHE 40 HE2 PHE 40 -3.885 -5.521 -1.283 307 HE2 PHE 40 HE1 PHE 40 -0.790 -8.314 -0.390 308 HZ PHE 40 HZ PHE 40 -2.674 -7.600 -1.807 309 H TYR 41 HN TYR 41 -3.813 -6.637 4.252 310 HA TYR 41 HA TYR 41 -1.850 -8.706 4.956 311 HB2 TYR 41 HB2 TYR 41 -4.718 -8.347 5.837 312 HB3 TYR 41 HB1 TYR 41 -3.703 -9.716 6.275 313 HD1 TYR 41 HD1 TYR 41 -1.831 -9.430 7.821 314 HD2 TYR 41 HD2 TYR 41 -4.410 -6.185 6.867 315 HE1 TYR 41 HE1 TYR 41 -0.973 -8.189 9.760 316 HE2 TYR 41 HE2 TYR 41 -3.561 -4.931 8.805 317 HH TYR 41 HH TYR 41 -0.818 -5.554 10.337 318 H ALA 42 HN ALA 42 -1.523 -9.985 3.262 319 HA ALA 42 HA ALA 42 -3.860 -11.274 2.042 320 HB1 ALA 42 HB1 ALA 42 -1.459 -10.318 0.480 321 HB2 ALA 42 HB2 ALA 42 -3.051 -9.560 0.467 322 HB3 ALA 42 HB3 ALA 42 -2.847 -11.193 -0.165 323 H LYS 43 HN LYS 43 -3.708 -13.363 2.582 324 HA LYS 43 HA LYS 43 -2.778 -15.341 3.295 325 HB2 LYS 43 HB2 LYS 43 -1.731 -16.453 1.562 326 HB3 LYS 43 HB1 LYS 43 -2.463 -15.113 0.693 327 HG2 LYS 43 HG2 LYS 43 -0.367 -13.929 0.646 328 HG3 LYS 43 HG1 LYS 43 0.389 -15.175 1.640 329 HD2 LYS 43 HD2 LYS 43 -0.513 -16.720 -0.334 330 HD3 LYS 43 HD1 LYS 43 -0.320 -15.212 -1.231 331 HE2 LYS 43 HE2 LYS 43 1.824 -15.787 -1.459 332 HE3 LYS 43 HE1 LYS 43 1.999 -15.373 0.246 333 HZ1 LYS 43 HZ1 LYS 43 1.163 -17.831 0.529 334 HZ2 LYS 43 HZ2 LYS 43 2.796 -17.484 0.263 335 HZ3 LYS 43 HZ3 LYS 43 1.824 -18.004 -1.019 336 HA PRO 44 HA PRO 44 0.988 -15.470 5.685 337 HB2 PRO 44 HB2 PRO 44 2.665 -16.280 3.334 338 HB3 PRO 44 HB1 PRO 44 2.699 -16.884 4.996 339 HG2 PRO 44 HG2 PRO 44 1.481 -18.279 3.092 340 HG3 PRO 44 HG1 PRO 44 0.773 -18.156 4.714 341 HD2 PRO 44 HD2 PRO 44 -0.067 -16.867 2.180 342 HD3 PRO 44 HD1 PRO 44 -1.044 -17.335 3.581 343 H TYR 45 HN TYR 45 1.087 -13.826 2.620 344 HA TYR 45 HA TYR 45 3.413 -12.263 3.098 345 HB2 TYR 45 HB2 TYR 45 1.125 -12.056 1.155 346 HB3 TYR 45 HB1 TYR 45 2.347 -10.796 1.256 347 HD1 TYR 45 HD1 TYR 45 4.827 -12.255 1.596 348 HD2 TYR 45 HD2 TYR 45 1.462 -13.202 -0.828 349 HE1 TYR 45 HE1 TYR 45 6.283 -13.539 0.087 350 HE2 TYR 45 HE2 TYR 45 2.909 -14.490 -2.343 351 HH TYR 45 HH TYR 45 5.517 -15.732 -1.785 352 H PHE 46 HN PHE 46 3.631 -10.630 4.464 353 HA PHE 46 HA PHE 46 1.235 -9.096 5.239 354 HB2 PHE 46 HB2 PHE 46 1.860 -10.192 7.206 355 HB3 PHE 46 HB1 PHE 46 3.576 -10.066 6.846 356 HD1 PHE 46 HD1 PHE 46 0.640 -8.315 8.157 357 HD2 PHE 46 HD2 PHE 46 4.823 -8.090 7.406 358 HE1 PHE 46 HE1 PHE 46 0.789 -6.336 9.611 359 HE2 PHE 46 HE2 PHE 46 4.980 -6.110 8.859 360 HZ PHE 46 HZ PHE 46 2.962 -5.231 9.964 361 H LEU 47 HN LEU 47 1.261 -7.062 4.516 362 HA LEU 47 HA LEU 47 3.882 -5.771 4.130 363 HB2 LEU 47 HB2 LEU 47 1.600 -6.060 2.339 364 HB3 LEU 47 HB1 LEU 47 2.111 -4.395 2.511 365 HG LEU 47 HG LEU 47 3.609 -6.710 1.345 366 HD11 LEU 47 HD11 LEU 47 2.264 -4.470 0.336 367 HD12 LEU 47 HD12 LEU 47 3.281 -5.607 -0.552 368 HD13 LEU 47 HD13 LEU 47 3.984 -4.138 0.126 369 HD21 LEU 47 HD21 LEU 47 5.500 -4.806 1.336 370 HD22 LEU 47 HD22 LEU 47 5.397 -6.062 2.570 371 HD23 LEU 47 HD23 LEU 47 4.737 -4.458 2.887 372 H ARG 48 HN ARG 48 4.181 -4.343 5.696 373 HA ARG 48 HA ARG 48 1.947 -2.552 6.401 374 HB2 ARG 48 HB2 ARG 48 2.456 -3.886 8.329 375 HB3 ARG 48 HB1 ARG 48 4.182 -3.612 8.134 376 HG2 ARG 48 HG2 ARG 48 3.329 -1.071 8.378 377 HG3 ARG 48 HG1 ARG 48 2.117 -1.907 9.353 378 HD2 ARG 48 HD2 ARG 48 4.922 -2.714 9.786 379 HD3 ARG 48 HD1 ARG 48 4.495 -1.084 10.308 380 HE ARG 48 HE ARG 48 2.591 -2.988 11.213 381 HH11 ARG 48 HH11 ARG 48 5.791 -1.761 11.837 382 HH12 ARG 48 HH12 ARG 48 5.758 -2.167 13.520 383 HH21 ARG 48 HH21 ARG 48 2.536 -3.525 13.423 384 HH22 ARG 48 HH22 ARG 48 3.906 -3.173 14.422 385 H LEU 49 HN LEU 49 2.265 -0.574 5.612 386 HA LEU 49 HA LEU 49 5.033 0.423 5.448 387 HB2 LEU 49 HB2 LEU 49 2.757 0.960 3.540 388 HB3 LEU 49 HB1 LEU 49 4.355 1.675 3.438 389 HG LEU 49 HG LEU 49 4.105 -1.301 3.407 390 HD11 LEU 49 HD11 LEU 49 4.137 -0.830 0.788 391 HD12 LEU 49 HD12 LEU 49 3.176 0.558 1.298 392 HD13 LEU 49 HD13 LEU 49 2.641 -1.077 1.690 393 HD21 LEU 49 HD21 LEU 49 6.192 -1.255 2.493 394 HD22 LEU 49 HD22 LEU 49 6.251 0.236 3.431 395 HD23 LEU 49 HD23 LEU 49 5.933 0.297 1.697 396 H THR 50 HN THR 50 5.454 2.261 6.464 397 HA THR 50 HA THR 50 3.225 3.780 7.603 398 HB THR 50 HB THR 50 6.047 4.480 8.249 399 HG1 THR 50 HG1 THR 50 6.149 2.234 8.440 400 HG21 THR 50 HG21 THR 50 4.360 4.090 10.504 401 HG22 THR 50 HG22 THR 50 3.456 4.989 9.287 402 HG23 THR 50 HG23 THR 50 5.008 5.600 9.863 403 H LEU 51 HN LEU 51 2.494 5.292 6.243 404 HA LEU 51 HA LEU 51 4.092 6.554 4.266 405 HB2 LEU 51 HB2 LEU 51 1.444 7.532 5.310 406 HB3 LEU 51 HB1 LEU 51 2.147 7.829 3.732 407 HG LEU 51 HG LEU 51 0.768 5.393 4.759 408 HD11 LEU 51 HD11 LEU 51 -0.107 7.314 3.190 409 HD12 LEU 51 HD12 LEU 51 -0.556 5.631 2.912 410 HD13 LEU 51 HD13 LEU 51 0.725 6.374 1.952 411 HD21 LEU 51 HD21 LEU 51 2.884 4.472 4.121 412 HD22 LEU 51 HD22 LEU 51 2.897 5.408 2.627 413 HD23 LEU 51 HD23 LEU 51 1.719 4.114 2.846 414 HA PRO 52 HA PRO 52 6.145 9.615 6.743 415 HB2 PRO 52 HB2 PRO 52 6.201 11.085 4.159 416 HB3 PRO 52 HB1 PRO 52 7.531 10.664 5.242 417 HG2 PRO 52 HG2 PRO 52 7.177 9.358 2.947 418 HG3 PRO 52 HG1 PRO 52 7.700 8.507 4.413 419 HD2 PRO 52 HD2 PRO 52 5.008 8.581 3.122 420 HD3 PRO 52 HD1 PRO 52 5.837 7.233 3.925 421 H GLY 53 HN GLY 53 3.340 10.167 4.773 422 HA2 GLY 53 HA2 GLY 53 2.831 12.701 6.202 423 HA3 GLY 53 HA1 GLY 53 2.176 12.307 4.620 424 H ARG 54 HN ARG 54 0.024 12.384 5.000 425 HA ARG 54 HA ARG 54 -1.069 10.330 6.767 426 HB2 ARG 54 HB2 ARG 54 -2.852 12.317 7.247 427 HB3 ARG 54 HB1 ARG 54 -1.519 11.908 8.319 428 HG2 ARG 54 HG2 ARG 54 -0.752 13.766 6.216 429 HG3 ARG 54 HG1 ARG 54 -2.042 14.381 7.254 430 HD2 ARG 54 HD2 ARG 54 -0.236 13.203 9.002 431 HD3 ARG 54 HD1 ARG 54 0.776 14.026 7.816 432 HE ARG 54 HE ARG 54 -0.849 15.987 8.363 433 HH11 ARG 54 HH11 ARG 54 0.475 13.666 10.614 434 HH12 ARG 54 HH12 ARG 54 0.410 14.751 11.960 435 HH21 ARG 54 HH21 ARG 54 -0.926 17.413 10.133 436 HH22 ARG 54 HH22 ARG 54 -0.380 16.878 11.688 437 H ILE 55 HN ILE 55 -2.896 9.383 5.998 438 HA ILE 55 HA ILE 55 -4.039 10.521 3.527 439 HB ILE 55 HB ILE 55 -3.679 7.617 4.274 440 HG12 ILE 55 HG12 ILE 55 -2.414 9.468 2.278 441 HG13 ILE 55 HG11 ILE 55 -1.639 8.362 3.406 442 HG21 ILE 55 HG21 ILE 55 -5.795 8.639 2.860 443 HG22 ILE 55 HG22 ILE 55 -5.183 6.989 2.744 444 HG23 ILE 55 HG23 ILE 55 -4.651 8.212 1.590 445 HD11 ILE 55 HD11 ILE 55 -1.319 7.252 1.446 446 HD12 ILE 55 HD12 ILE 55 -2.825 7.838 0.739 447 HD13 ILE 55 HD13 ILE 55 -2.859 6.551 1.945 448 H VAL 56 HN VAL 56 -6.134 11.025 3.597 449 HA VAL 56 HA VAL 56 -7.666 10.831 5.919 450 HB VAL 56 HB VAL 56 -8.295 12.487 4.358 451 HG11 VAL 56 HG11 VAL 56 -9.364 10.911 2.195 452 HG12 VAL 56 HG12 VAL 56 -7.648 10.577 2.431 453 HG13 VAL 56 HG13 VAL 56 -8.194 12.230 2.153 454 HG21 VAL 56 HG21 VAL 56 -10.674 12.024 3.951 455 HG22 VAL 56 HG22 VAL 56 -10.174 11.537 5.572 456 HG23 VAL 56 HG23 VAL 56 -10.394 10.321 4.314 457 H GLU 57 HN GLU 57 -9.606 9.675 6.348 458 HA GLU 57 HA GLU 57 -9.687 7.019 5.081 459 HB2 GLU 57 HB2 GLU 57 -10.545 6.290 7.407 460 HB3 GLU 57 HB1 GLU 57 -8.824 6.561 7.194 461 HG2 GLU 57 HG2 GLU 57 -8.972 8.707 8.252 462 HG3 GLU 57 HG1 GLU 57 -10.730 8.591 8.329 463 H ASN 58 HN ASN 58 -11.622 6.304 4.410 464 HA ASN 58 HA ASN 58 -14.110 7.214 5.487 465 HB2 ASN 58 HB2 ASN 58 -13.226 9.069 3.863 466 HB3 ASN 58 HB1 ASN 58 -13.739 7.951 2.604 467 HD21 ASN 58 HD21 ASN 58 -15.205 9.680 2.023 468 HD22 ASN 58 HD22 ASN 58 -16.714 9.822 2.852 469 H GLY 59 HN GLY 59 -12.388 5.640 2.855 470 HA2 GLY 59 HA2 GLY 59 -12.827 3.257 2.500 471 HA3 GLY 59 HA1 GLY 59 -14.527 3.601 2.779 472 H SER 60 HN SER 60 -13.837 6.175 1.121 473 HA SER 60 HA SER 60 -14.936 5.243 -1.321 474 HB2 SER 60 HB2 SER 60 -14.252 7.774 -0.123 475 HB3 SER 60 HB1 SER 60 -13.674 7.730 -1.788 476 HG SER 60 HG SER 60 -15.810 7.113 -2.401 477 H GLU 61 HN GLU 61 -11.841 6.907 -0.862 478 HA GLU 61 HA GLU 61 -9.997 6.896 -2.287 479 HB2 GLU 61 HB2 GLU 61 -8.628 5.045 -1.707 480 HB3 GLU 61 HB1 GLU 61 -9.663 5.350 -0.320 481 HG2 GLU 61 HG2 GLU 61 -10.957 3.460 -0.709 482 HG3 GLU 61 HG1 GLU 61 -10.420 3.322 -2.383 483 H GLN 62 HN GLN 62 -8.920 4.450 -3.489 484 HA GLN 62 HA GLN 62 -10.797 3.646 -5.530 485 HB2 GLN 62 HB2 GLN 62 -8.766 5.732 -6.013 486 HB3 GLN 62 HB1 GLN 62 -8.812 4.445 -7.210 487 HG2 GLN 62 HG2 GLN 62 -11.468 5.376 -6.589 488 HG3 GLN 62 HG1 GLN 62 -10.427 6.704 -7.095 489 HE21 GLN 62 HE21 GLN 62 -12.618 4.672 -8.229 490 HE22 GLN 62 HE22 GLN 62 -12.058 4.446 -9.848 491 H GLY 63 HN GLY 63 -9.958 1.934 -6.890 492 HA2 GLY 63 HA2 GLY 63 -7.322 0.902 -6.454 493 HA3 GLY 63 HA1 GLY 63 -8.532 -0.007 -5.564 494 H SER 64 HN SER 64 -6.905 -1.131 -7.505 495 HA SER 64 HA SER 64 -8.879 -2.286 -9.243 496 HB2 SER 64 HB2 SER 64 -7.229 -1.809 -11.261 497 HB3 SER 64 HB1 SER 64 -8.478 -0.643 -10.822 498 HG SER 64 HG SER 64 -5.855 -0.535 -9.767 499 H TYR 65 HN TYR 65 -8.446 -4.399 -9.212 500 HA TYR 65 HA TYR 65 -5.634 -5.239 -8.937 501 HB2 TYR 65 HB2 TYR 65 -6.650 -5.837 -6.906 502 HB3 TYR 65 HB1 TYR 65 -8.147 -6.326 -7.691 503 HD1 TYR 65 HD1 TYR 65 -4.557 -7.264 -8.172 504 HD2 TYR 65 HD2 TYR 65 -8.527 -8.578 -7.382 505 HE1 TYR 65 HE1 TYR 65 -3.781 -9.597 -8.185 506 HE2 TYR 65 HE2 TYR 65 -7.761 -10.916 -7.390 507 HH TYR 65 HH TYR 65 -5.873 -12.236 -7.251 508 H ASP 66 HN ASP 66 -4.831 -6.609 -10.417 509 HA ASP 66 HA ASP 66 -6.712 -7.875 -12.295 510 HB2 ASP 66 HB2 ASP 66 -4.251 -7.760 -13.594 511 HB3 ASP 66 HB1 ASP 66 -5.646 -6.733 -13.899 512 H ALA 67 HN ALA 67 -6.660 -10.022 -12.390 513 HA ALA 67 HA ALA 67 -4.786 -11.482 -10.768 514 HB1 ALA 67 HB1 ALA 67 -6.343 -13.223 -12.407 515 HB2 ALA 67 HB2 ALA 67 -7.378 -11.947 -11.766 516 HB3 ALA 67 HB3 ALA 67 -6.437 -12.955 -10.667 517 H ASP 68 HN ASP 68 -5.505 -11.304 -14.247 518 HA ASP 68 HA ASP 68 -3.659 -13.210 -15.108 519 HB2 ASP 68 HB2 ASP 68 -5.234 -11.070 -16.330 520 HB3 ASP 68 HB1 ASP 68 -3.707 -11.363 -17.158 521 H LYS 69 HN LYS 69 -3.265 -9.683 -14.812 522 HA LYS 69 HA LYS 69 -0.497 -9.789 -15.552 523 HB2 LYS 69 HB2 LYS 69 -1.790 -7.801 -16.049 524 HB3 LYS 69 HB1 LYS 69 -2.157 -7.574 -14.344 525 HG2 LYS 69 HG2 LYS 69 0.022 -6.916 -13.837 526 HG3 LYS 69 HG1 LYS 69 0.668 -7.585 -15.336 527 HD2 LYS 69 HD2 LYS 69 0.541 -5.115 -15.357 528 HD3 LYS 69 HD1 LYS 69 -0.431 -5.863 -16.626 529 HE2 LYS 69 HE2 LYS 69 -2.442 -5.558 -15.309 530 HE3 LYS 69 HE1 LYS 69 -1.495 -4.904 -13.973 531 HZ1 LYS 69 HZ1 LYS 69 -2.500 -3.124 -15.211 532 HZ2 LYS 69 HZ2 LYS 69 -1.824 -3.681 -16.659 533 HZ3 LYS 69 HZ3 LYS 69 -0.825 -3.071 -15.440 534 H GLY 70 HN GLY 70 -2.242 -10.198 -12.626 535 HA2 GLY 70 HA2 GLY 70 -1.542 -10.640 -10.481 536 HA3 GLY 70 HA1 GLY 70 0.047 -10.950 -11.164 537 H ILE 71 HN ILE 71 -2.064 -8.148 -10.573 538 HA ILE 71 HA ILE 71 -0.031 -6.893 -8.942 539 HB ILE 71 HB ILE 71 -0.790 -5.679 -11.599 540 HG12 ILE 71 HG12 ILE 71 1.849 -6.566 -10.416 541 HG13 ILE 71 HG11 ILE 71 1.000 -7.307 -11.769 542 HG21 ILE 71 HG21 ILE 71 0.355 -4.476 -9.128 543 HG22 ILE 71 HG22 ILE 71 -0.779 -3.796 -10.295 544 HG23 ILE 71 HG23 ILE 71 0.935 -3.909 -10.694 545 HD11 ILE 71 HD11 ILE 71 1.793 -4.445 -11.953 546 HD12 ILE 71 HD12 ILE 71 1.602 -5.650 -13.227 547 HD13 ILE 71 HD13 ILE 71 3.013 -5.700 -12.169 548 H PHE 72 HN PHE 72 -0.934 -5.693 -7.411 549 HA PHE 72 HA PHE 72 -3.734 -4.854 -7.776 550 HB2 PHE 72 HB2 PHE 72 -3.667 -6.424 -5.994 551 HB3 PHE 72 HB1 PHE 72 -2.225 -5.690 -5.302 552 HD1 PHE 72 HD1 PHE 72 -5.375 -4.095 -6.466 553 HD2 PHE 72 HD2 PHE 72 -2.841 -5.016 -3.173 554 HE1 PHE 72 HE1 PHE 72 -6.784 -2.709 -5.001 555 HE2 PHE 72 HE2 PHE 72 -4.245 -3.632 -1.701 556 HZ PHE 72 HZ PHE 72 -6.221 -2.477 -2.615 557 H THR 73 HN THR 73 -3.840 -2.768 -8.237 558 HA THR 73 HA THR 73 -1.937 -0.930 -6.946 559 HB THR 73 HB THR 73 -3.619 -0.398 -9.398 560 HG1 THR 73 HG1 THR 73 -1.566 -1.963 -9.311 561 HG21 THR 73 HG21 THR 73 -2.699 1.664 -9.489 562 HG22 THR 73 HG22 THR 73 -1.153 1.121 -8.839 563 HG23 THR 73 HG23 THR 73 -2.509 1.422 -7.753 564 H ILE 74 HN ILE 74 -2.675 0.488 -5.499 565 HA ILE 74 HA ILE 74 -5.578 0.984 -5.415 566 HB ILE 74 HB ILE 74 -4.631 -0.464 -3.542 567 HG12 ILE 74 HG12 ILE 74 -5.883 2.032 -2.448 568 HG13 ILE 74 HG11 ILE 74 -6.778 1.037 -3.591 569 HG21 ILE 74 HG21 ILE 74 -2.815 1.653 -3.360 570 HG22 ILE 74 HG22 ILE 74 -2.968 0.273 -2.272 571 HG23 ILE 74 HG23 ILE 74 -3.831 1.771 -1.924 572 HD11 ILE 74 HD11 ILE 74 -5.643 -0.592 -1.518 573 HD12 ILE 74 HD12 ILE 74 -7.329 -0.392 -1.998 574 HD13 ILE 74 HD13 ILE 74 -6.606 0.716 -0.832 575 H ARG 75 HN ARG 75 -6.187 3.008 -4.319 576 HA ARG 75 HA ARG 75 -4.156 5.117 -4.468 577 HB2 ARG 75 HB2 ARG 75 -6.977 5.462 -5.499 578 HB3 ARG 75 HB1 ARG 75 -5.643 6.598 -5.638 579 HG2 ARG 75 HG2 ARG 75 -4.570 4.529 -6.939 580 HG3 ARG 75 HG1 ARG 75 -6.277 4.202 -7.242 581 HD2 ARG 75 HD2 ARG 75 -4.684 6.646 -7.970 582 HD3 ARG 75 HD1 ARG 75 -5.543 5.542 -9.043 583 HE ARG 75 HE ARG 75 -7.250 6.895 -7.165 584 HH11 ARG 75 HH11 ARG 75 -5.726 7.056 -10.294 585 HH12 ARG 75 HH12 ARG 75 -6.848 8.216 -10.923 586 HH21 ARG 75 HH21 ARG 75 -8.731 8.425 -7.988 587 HH22 ARG 75 HH22 ARG 75 -8.552 8.995 -9.612 588 H LEU 76 HN LEU 76 -4.355 6.678 -2.865 589 HA LEU 76 HA LEU 76 -6.695 6.465 -1.120 590 HB2 LEU 76 HB2 LEU 76 -3.835 6.546 -0.170 591 HB3 LEU 76 HB1 LEU 76 -5.261 6.504 0.838 592 HG LEU 76 HG LEU 76 -4.321 4.293 -0.979 593 HD11 LEU 76 HD11 LEU 76 -2.915 4.320 0.900 594 HD12 LEU 76 HD12 LEU 76 -4.141 3.106 1.263 595 HD13 LEU 76 HD13 LEU 76 -4.243 4.708 1.993 596 HD21 LEU 76 HD21 LEU 76 -6.918 4.839 -0.221 597 HD22 LEU 76 HD22 LEU 76 -6.378 3.660 0.974 598 HD23 LEU 76 HD23 LEU 76 -6.293 3.275 -0.745 599 HA PRO 77 HA PRO 77 -6.536 10.889 -1.638 600 HB2 PRO 77 HB2 PRO 77 -8.380 11.489 0.290 601 HB3 PRO 77 HB1 PRO 77 -8.807 10.910 -1.323 602 HG2 PRO 77 HG2 PRO 77 -8.621 9.388 1.247 603 HG3 PRO 77 HG1 PRO 77 -9.845 9.283 -0.032 604 HD2 PRO 77 HD2 PRO 77 -7.860 7.474 0.203 605 HD3 PRO 77 HD1 PRO 77 -8.510 7.960 -1.375 606 H LYS 78 HN LYS 78 -5.707 12.707 -0.538 607 HA LYS 78 HA LYS 78 -4.221 12.040 1.894 608 HB2 LYS 78 HB2 LYS 78 -3.887 14.522 0.214 609 HB3 LYS 78 HB1 LYS 78 -2.765 13.850 1.389 610 HG2 LYS 78 HG2 LYS 78 -3.204 11.855 -0.551 611 HG3 LYS 78 HG1 LYS 78 -2.934 13.370 -1.415 612 HD2 LYS 78 HD2 LYS 78 -0.922 13.686 0.132 613 HD3 LYS 78 HD1 LYS 78 -1.128 11.982 0.548 614 HE2 LYS 78 HE2 LYS 78 -0.197 11.312 -1.365 615 HE3 LYS 78 HE1 LYS 78 -1.188 12.416 -2.316 616 HZ1 LYS 78 HZ1 LYS 78 0.384 14.208 -1.637 617 HZ2 LYS 78 HZ2 LYS 78 1.066 13.022 -2.631 618 HZ3 LYS 78 HZ3 LYS 78 1.383 13.017 -0.970 619 H GLU 79 HN GLU 79 -4.193 13.516 3.669 620 HA GLU 79 HA GLU 79 -6.794 14.677 4.155 621 HB2 GLU 79 HB2 GLU 79 -6.005 13.525 6.015 622 HB3 GLU 79 HB1 GLU 79 -4.365 14.125 5.818 623 HG2 GLU 79 HG2 GLU 79 -4.806 16.094 6.884 624 HG3 GLU 79 HG1 GLU 79 -6.515 16.073 6.452 625 H THR 80 HN THR 80 -3.956 15.776 2.792 626 HA THR 80 HA THR 80 -4.851 18.518 2.953 627 HB THR 80 HB THR 80 -2.161 17.738 4.084 628 HG1 THR 80 HG1 THR 80 -3.946 19.419 5.422 629 HG21 THR 80 HG21 THR 80 -3.249 20.524 3.737 630 HG22 THR 80 HG22 THR 80 -2.142 19.769 2.591 631 HG23 THR 80 HG23 THR 80 -1.632 20.049 4.256 632 HA PRO 81 HA PRO 81 -3.394 17.819 -1.267 633 HB2 PRO 81 HB2 PRO 81 -4.199 20.682 -1.392 634 HB3 PRO 81 HB1 PRO 81 -4.632 19.344 -2.463 635 HG2 PRO 81 HG2 PRO 81 -6.390 20.312 -0.707 636 HG3 PRO 81 HG1 PRO 81 -6.297 18.574 -1.050 637 HD2 PRO 81 HD2 PRO 81 -5.301 20.097 1.318 638 HD3 PRO 81 HD1 PRO 81 -6.008 18.471 1.235 639 H GLY 82 HN GLY 82 -1.573 18.476 -2.419 640 HA2 GLY 82 HA2 GLY 82 0.317 19.778 -2.886 641 HA3 GLY 82 HA1 GLY 82 -0.014 20.735 -1.450 642 H GLN 83 HN GLN 83 -0.286 17.742 -0.299 643 HA GLN 83 HA GLN 83 2.357 17.789 0.847 644 HB2 GLN 83 HB2 GLN 83 0.302 17.203 2.145 645 HB3 GLN 83 HB1 GLN 83 0.190 15.719 1.209 646 HG2 GLN 83 HG2 GLN 83 2.152 14.848 2.146 647 HG3 GLN 83 HG1 GLN 83 2.642 16.417 2.784 648 HE21 GLN 83 HE21 GLN 83 2.815 14.678 4.616 649 HE22 GLN 83 HE22 GLN 83 1.463 14.640 5.692 650 H HIS 84 HN HIS 84 4.049 16.498 0.400 651 HA HIS 84 HA HIS 84 3.658 14.384 -1.614 652 HB2 HIS 84 HB2 HIS 84 4.922 16.653 -2.202 653 HB3 HIS 84 HB1 HIS 84 6.272 15.807 -1.450 654 HD1 HIS 84 HD1 HIS 84 7.542 14.256 -2.922 655 HD2 HIS 84 HD2 HIS 84 3.780 15.139 -4.451 656 HE1 HIS 84 HE1 HIS 84 7.466 13.172 -5.191 657 HE2 HIS 84 HE2 HIS 84 5.193 13.748 -6.111 658 H PHE 85 HN PHE 85 4.119 12.437 -0.829 659 HA PHE 85 HA PHE 85 5.568 12.100 1.623 660 HB2 PHE 85 HB2 PHE 85 4.504 10.063 -0.345 661 HB3 PHE 85 HB1 PHE 85 5.138 9.696 1.251 662 HD1 PHE 85 HD2 PHE 85 3.520 12.720 1.599 663 HD2 PHE 85 HD1 PHE 85 2.689 8.587 1.028 664 HE1 PHE 85 HE2 PHE 85 1.276 13.043 2.557 665 HE2 PHE 85 HE1 PHE 85 0.444 8.901 1.984 666 HZ PHE 85 HZ PHE 85 -0.265 11.131 2.750 667 H GLU 86 HN GLU 86 7.669 12.818 1.218 668 HA GLU 86 HA GLU 86 9.230 11.915 -0.977 669 HB2 GLU 86 HB2 GLU 86 9.563 13.662 1.323 670 HB3 GLU 86 HB1 GLU 86 11.010 12.716 1.005 671 HG2 GLU 86 HG2 GLU 86 11.499 13.856 -0.855 672 HG3 GLU 86 HG1 GLU 86 9.817 13.929 -1.377 673 H GLY 87 HN GLY 87 11.450 10.915 -0.510 674 HA2 GLY 87 HA2 GLY 87 12.425 8.830 -0.233 675 HA3 GLY 87 HA1 GLY 87 12.273 9.311 1.445 676 H LEU 88 HN LEU 88 9.656 8.376 -0.774 677 HA LEU 88 HA LEU 88 8.447 6.697 1.128 678 HB2 LEU 88 HB2 LEU 88 7.963 7.491 -1.586 679 HB3 LEU 88 HB1 LEU 88 7.679 5.770 -1.416 680 HG LEU 88 HG LEU 88 6.284 8.039 -0.027 681 HD11 LEU 88 HD11 LEU 88 4.916 5.670 -1.169 682 HD12 LEU 88 HD12 LEU 88 5.642 6.815 -2.298 683 HD13 LEU 88 HD13 LEU 88 4.425 7.364 -1.145 684 HD21 LEU 88 HD21 LEU 88 6.552 6.718 1.825 685 HD22 LEU 88 HD22 LEU 88 6.649 5.228 0.886 686 HD23 LEU 88 HD23 LEU 88 5.089 6.011 1.139 687 H ASN 89 HN ASN 89 10.123 5.662 -1.905 688 HA ASN 89 HA ASN 89 10.327 2.978 -0.911 689 HB2 ASN 89 HB2 ASN 89 10.796 4.385 -3.441 690 HB3 ASN 89 HB1 ASN 89 11.943 3.087 -3.127 691 HD21 ASN 89 HD21 ASN 89 10.391 1.273 -1.806 692 HD22 ASN 89 HD22 ASN 89 9.152 0.687 -2.858 693 H MET 90 HN MET 90 11.853 5.430 0.260 694 HA MET 90 HA MET 90 14.489 4.124 0.326 695 HB2 MET 90 HB2 MET 90 15.564 6.154 0.380 696 HB3 MET 90 HB1 MET 90 14.171 6.584 -0.600 697 HG2 MET 90 HG2 MET 90 14.197 8.320 0.872 698 HG3 MET 90 HG1 MET 90 13.122 7.207 1.716 699 HE1 MET 90 HE1 MET 90 16.657 7.887 0.961 700 HE2 MET 90 HE2 MET 90 17.457 6.858 2.148 701 HE3 MET 90 HE3 MET 90 17.267 8.583 2.463 702 H LEU 91 HN LEU 91 11.848 5.529 2.091 703 HA LEU 91 HA LEU 91 12.862 5.682 4.655 704 HB2 LEU 91 HB2 LEU 91 10.742 6.192 5.155 705 HB3 LEU 91 HB1 LEU 91 10.394 5.968 3.451 706 HG LEU 91 HG LEU 91 10.061 3.887 5.613 707 HD11 LEU 91 HD11 LEU 91 7.685 4.538 4.173 708 HD12 LEU 91 HD12 LEU 91 8.403 6.016 4.811 709 HD13 LEU 91 HD13 LEU 91 8.015 4.685 5.899 710 HD21 LEU 91 HD21 LEU 91 8.761 3.295 3.127 711 HD22 LEU 91 HD22 LEU 91 9.935 2.336 4.030 712 HD23 LEU 91 HD23 LEU 91 10.488 3.537 2.864 713 H THR 92 HN THR 92 12.005 4.072 6.474 714 HA THR 92 HA THR 92 12.525 1.319 5.578 715 HB THR 92 HB THR 92 13.563 2.007 8.254 716 HG1 THR 92 HG1 THR 92 15.595 2.627 6.866 717 HG21 THR 92 HG21 THR 92 13.918 0.018 6.223 718 HG22 THR 92 HG22 THR 92 14.486 0.017 7.893 719 HG23 THR 92 HG23 THR 92 15.476 0.740 6.625 720 H ALA 93 HN ALA 93 12.027 -0.284 7.375 721 HA ALA 93 HA ALA 93 9.416 0.424 8.502 722 HB1 ALA 93 HB1 ALA 93 10.607 -2.334 8.281 723 HB2 ALA 93 HB2 ALA 93 9.638 -1.584 7.013 724 HB3 ALA 93 HB3 ALA 93 8.926 -1.903 8.594 725 H LEU 94 HN LEU 94 8.936 0.216 10.657 726 HA LEU 94 HA LEU 94 11.242 0.090 12.445 727 HB2 LEU 94 HB2 LEU 94 9.286 0.732 14.113 728 HB3 LEU 94 HB1 LEU 94 10.076 1.927 13.103 729 HG LEU 94 HG LEU 94 7.663 0.593 11.992 730 HD11 LEU 94 HD11 LEU 94 7.595 1.731 14.559 731 HD12 LEU 94 HD12 LEU 94 6.230 1.271 13.541 732 HD13 LEU 94 HD13 LEU 94 6.872 2.913 13.468 733 HD21 LEU 94 HD21 LEU 94 8.055 2.181 10.488 734 HD22 LEU 94 HD22 LEU 94 9.268 2.941 11.519 735 HD23 LEU 94 HD23 LEU 94 7.566 3.363 11.703 736 H LEU 95 HN LEU 95 11.753 -1.864 13.189 737 HA LEU 95 HA LEU 95 9.628 -3.827 13.644 738 HB2 LEU 95 HB2 LEU 95 12.569 -3.991 13.180 739 HB3 LEU 95 HB1 LEU 95 11.804 -5.271 14.102 740 HG LEU 95 HG LEU 95 10.677 -6.103 12.291 741 HD11 LEU 95 HD11 LEU 95 10.047 -4.801 10.312 742 HD12 LEU 95 HD12 LEU 95 10.819 -3.379 11.012 743 HD13 LEU 95 HD13 LEU 95 9.411 -4.094 11.796 744 HD21 LEU 95 HD21 LEU 95 12.138 -5.959 10.275 745 HD22 LEU 95 HD22 LEU 95 12.990 -6.371 11.763 746 HD23 LEU 95 HD23 LEU 95 13.087 -4.733 11.116 747 H ALA 96 HN ALA 96 8.831 -4.031 15.619 748 HA ALA 96 HA ALA 96 8.646 -4.123 17.885 749 HB1 ALA 96 HB1 ALA 96 10.251 -5.287 18.896 750 HB2 ALA 96 HB2 ALA 96 11.451 -4.026 18.613 751 HB3 ALA 96 HB3 ALA 96 11.128 -5.232 17.367 Start of MODEL 8 1 H MET 1 H MET 1 9.037 -18.886 0.541 2 HA MET 1 HA MET 1 6.952 -16.895 1.097 3 HB2 MET 1 HB2 MET 1 7.660 -18.595 2.823 4 HB3 MET 1 HB1 MET 1 9.273 -17.899 2.752 5 HG2 MET 1 HG2 MET 1 8.608 -15.922 3.748 6 HG3 MET 1 HG1 MET 1 6.912 -16.163 3.328 7 HE1 MET 1 HE1 MET 1 5.964 -16.075 6.544 8 HE2 MET 1 HE2 MET 1 5.207 -17.508 5.846 9 HE3 MET 1 HE3 MET 1 5.552 -16.108 4.830 10 H LEU 2 HN LEU 2 7.824 -15.706 -0.811 11 HA LEU 2 HA LEU 2 10.318 -14.295 -0.129 12 HB2 LEU 2 HB2 LEU 2 9.070 -14.708 -2.848 13 HB3 LEU 2 HB1 LEU 2 10.539 -13.805 -2.531 14 HG LEU 2 HG LEU 2 10.322 -16.704 -1.779 15 HD11 LEU 2 HD11 LEU 2 11.407 -17.224 -3.942 16 HD12 LEU 2 HD12 LEU 2 11.099 -15.566 -4.459 17 HD13 LEU 2 HD13 LEU 2 9.749 -16.647 -4.112 18 HD21 LEU 2 HD21 LEU 2 12.443 -16.458 -1.167 19 HD22 LEU 2 HD22 LEU 2 12.269 -14.724 -1.437 20 HD23 LEU 2 HD23 LEU 2 12.866 -15.762 -2.731 21 H THR 3 HN THR 3 10.392 -12.042 -0.379 22 HA THR 3 HA THR 3 7.896 -10.725 0.139 23 HB THR 3 HB THR 3 10.203 -10.155 1.147 24 HG1 THR 3 HG1 THR 3 8.847 -7.880 0.152 25 HG21 THR 3 HG21 THR 3 10.411 -8.305 -1.203 26 HG22 THR 3 HG22 THR 3 11.182 -9.890 -1.225 27 HG23 THR 3 HG23 THR 3 11.630 -8.708 0.005 28 HA PRO 4 HA PRO 4 6.885 -10.038 -4.172 29 HB2 PRO 4 HB2 PRO 4 5.144 -7.989 -2.896 30 HB3 PRO 4 HB1 PRO 4 4.730 -9.246 -4.067 31 HG2 PRO 4 HG2 PRO 4 4.059 -9.489 -1.497 32 HG3 PRO 4 HG1 PRO 4 4.583 -10.892 -2.446 33 HD2 PRO 4 HD2 PRO 4 6.069 -9.332 -0.384 34 HD3 PRO 4 HD1 PRO 4 6.129 -11.068 -0.749 35 H ALA 5 HN ALA 5 7.360 -8.478 -5.706 36 HA ALA 5 HA ALA 5 9.160 -6.387 -4.855 37 HB1 ALA 5 HB1 ALA 5 8.289 -7.425 -7.527 38 HB2 ALA 5 HB2 ALA 5 9.900 -7.412 -6.807 39 HB3 ALA 5 HB3 ALA 5 9.182 -5.910 -7.389 40 H PHE 6 HN PHE 6 7.044 -5.626 -3.636 41 HA PHE 6 HA PHE 6 5.066 -4.215 -5.036 42 HB2 PHE 6 HB2 PHE 6 4.419 -3.342 -2.925 43 HB3 PHE 6 HB1 PHE 6 5.023 -4.963 -2.615 44 HD1 PHE 6 HD2 PHE 6 5.844 -1.371 -2.388 45 HD2 PHE 6 HD1 PHE 6 6.878 -5.327 -1.210 46 HE1 PHE 6 HE2 PHE 6 7.414 -0.462 -0.726 47 HE2 PHE 6 HE1 PHE 6 8.450 -4.425 0.455 48 HZ PHE 6 HZ PHE 6 8.719 -1.989 0.697 49 H ASP 7 HN ASP 7 4.712 -1.841 -4.863 50 HA ASP 7 HA ASP 7 7.111 -0.202 -4.793 51 HB2 ASP 7 HB2 ASP 7 7.115 -0.857 -7.110 52 HB3 ASP 7 HB1 ASP 7 5.397 -0.505 -7.265 53 H LEU 8 HN LEU 8 6.694 1.980 -4.406 54 HA LEU 8 HA LEU 8 3.873 2.605 -3.829 55 HB2 LEU 8 HB2 LEU 8 6.068 4.088 -2.476 56 HB3 LEU 8 HB1 LEU 8 4.456 3.708 -1.904 57 HG LEU 8 HG LEU 8 6.544 1.569 -2.214 58 HD11 LEU 8 HD11 LEU 8 7.371 1.925 -0.077 59 HD12 LEU 8 HD12 LEU 8 6.016 2.953 0.386 60 HD13 LEU 8 HD13 LEU 8 7.243 3.559 -0.727 61 HD21 LEU 8 HD21 LEU 8 4.713 1.278 -0.031 62 HD22 LEU 8 HD22 LEU 8 4.947 0.237 -1.435 63 HD23 LEU 8 HD23 LEU 8 3.819 1.591 -1.518 64 H SER 9 HN SER 9 3.007 4.427 -4.634 65 HA SER 9 HA SER 9 4.741 6.442 -5.856 66 HB2 SER 9 HB2 SER 9 2.801 4.696 -7.281 67 HB3 SER 9 HB1 SER 9 2.809 6.402 -7.728 68 HG SER 9 HG SER 9 4.359 4.705 -8.738 69 H GLN 10 HN GLN 10 4.052 8.479 -5.468 70 HA GLN 10 HA GLN 10 1.285 8.799 -4.532 71 HB2 GLN 10 HB2 GLN 10 1.957 10.109 -2.711 72 HB3 GLN 10 HB1 GLN 10 3.070 8.752 -2.710 73 HG2 GLN 10 HG2 GLN 10 3.627 11.520 -3.753 74 HG3 GLN 10 HG1 GLN 10 4.250 10.811 -2.264 75 HE21 GLN 10 HE21 GLN 10 5.932 9.370 -2.352 76 HE22 GLN 10 HE22 GLN 10 6.839 9.060 -3.790 77 H ASP 11 HN ASP 11 0.226 10.593 -5.116 78 HA ASP 11 HA ASP 11 1.588 12.439 -6.956 79 HB2 ASP 11 HB2 ASP 11 -0.837 10.953 -7.234 80 HB3 ASP 11 HB1 ASP 11 -1.246 12.665 -7.179 81 HA PRO 12 HA PRO 12 0.861 15.888 -4.346 82 HB2 PRO 12 HB2 PRO 12 -0.257 17.727 -6.058 83 HB3 PRO 12 HB1 PRO 12 1.465 17.358 -5.964 84 HG2 PRO 12 HG2 PRO 12 -0.582 16.358 -7.899 85 HG3 PRO 12 HG1 PRO 12 1.093 16.861 -8.197 86 HD2 PRO 12 HD2 PRO 12 0.396 14.270 -8.062 87 HD3 PRO 12 HD1 PRO 12 1.962 14.848 -7.454 88 H ASP 13 HN ASP 13 -1.759 14.182 -5.588 89 HA ASP 13 HA ASP 13 -3.559 15.602 -3.767 90 HB2 ASP 13 HB2 ASP 13 -4.303 14.702 -6.555 91 HB3 ASP 13 HB1 ASP 13 -5.418 15.366 -5.366 92 H PHE 14 HN PHE 14 -2.050 12.814 -4.370 93 HA PHE 14 HA PHE 14 -3.804 11.264 -2.741 94 HB2 PHE 14 HB2 PHE 14 -3.544 10.277 -5.584 95 HB3 PHE 14 HB1 PHE 14 -4.486 9.557 -4.287 96 HD1 PHE 14 HD2 PHE 14 -4.301 12.333 -6.684 97 HD2 PHE 14 HD1 PHE 14 -6.656 10.367 -3.734 98 HE1 PHE 14 HE2 PHE 14 -6.277 13.601 -7.420 99 HE2 PHE 14 HE1 PHE 14 -8.635 11.632 -4.464 100 HZ PHE 14 HZ PHE 14 -8.448 13.252 -6.310 101 H LEU 15 HN LEU 15 -3.097 8.959 -2.595 102 HA LEU 15 HA LEU 15 -0.247 8.550 -3.202 103 HB2 LEU 15 HB2 LEU 15 -0.246 9.209 -0.897 104 HB3 LEU 15 HB1 LEU 15 -1.624 8.193 -0.540 105 HG LEU 15 HG LEU 15 0.565 7.356 0.333 106 HD11 LEU 15 HD11 LEU 15 -0.117 5.209 0.170 107 HD12 LEU 15 HD12 LEU 15 -0.317 5.288 -1.581 108 HD13 LEU 15 HD13 LEU 15 -1.552 5.967 -0.521 109 HD21 LEU 15 HD21 LEU 15 2.217 7.739 -1.186 110 HD22 LEU 15 HD22 LEU 15 1.181 7.396 -2.571 111 HD23 LEU 15 HD23 LEU 15 1.825 6.071 -1.602 112 H THR 16 HN THR 16 -0.192 6.740 -4.499 113 HA THR 16 HA THR 16 -2.200 4.671 -3.954 114 HB THR 16 HB THR 16 -0.604 5.091 -6.487 115 HG1 THR 16 HG1 THR 16 -2.110 6.738 -6.370 116 HG21 THR 16 HG21 THR 16 -2.510 3.036 -5.557 117 HG22 THR 16 HG22 THR 16 -1.187 2.915 -6.717 118 HG23 THR 16 HG23 THR 16 -2.730 3.615 -7.208 119 H ILE 17 HN ILE 17 -1.598 2.603 -3.597 120 HA ILE 17 HA ILE 17 1.289 2.106 -3.314 121 HB ILE 17 HB ILE 17 -0.976 0.741 -1.851 122 HG12 ILE 17 HG12 ILE 17 0.969 2.823 -0.822 123 HG13 ILE 17 HG11 ILE 17 -0.690 3.172 -1.296 124 HG21 ILE 17 HG21 ILE 17 2.018 0.599 -1.536 125 HG22 ILE 17 HG22 ILE 17 0.931 -0.702 -2.020 126 HG23 ILE 17 HG23 ILE 17 0.865 -0.062 -0.378 127 HD11 ILE 17 HD11 ILE 17 -0.246 2.886 1.167 128 HD12 ILE 17 HD12 ILE 17 -0.011 1.170 0.832 129 HD13 ILE 17 HD13 ILE 17 -1.567 1.930 0.494 130 H ALA 18 HN ALA 18 2.091 0.012 -3.920 131 HA ALA 18 HA ALA 18 0.287 -1.527 -5.662 132 HB1 ALA 18 HB1 ALA 18 2.739 -0.127 -6.419 133 HB2 ALA 18 HB2 ALA 18 1.403 -0.702 -7.415 134 HB3 ALA 18 HB3 ALA 18 2.684 -1.814 -6.933 135 H ILE 19 HN ILE 19 0.173 -3.553 -5.023 136 HA ILE 19 HA ILE 19 2.563 -4.823 -3.860 137 HB ILE 19 HB ILE 19 -0.234 -5.556 -3.039 138 HG12 ILE 19 HG12 ILE 19 1.484 -3.824 -1.307 139 HG13 ILE 19 HG11 ILE 19 0.555 -3.070 -2.600 140 HG21 ILE 19 HG21 ILE 19 2.515 -6.061 -1.938 141 HG22 ILE 19 HG22 ILE 19 1.325 -7.236 -2.494 142 HG23 ILE 19 HG23 ILE 19 1.049 -6.341 -1.000 143 HD11 ILE 19 HD11 ILE 19 -0.629 -3.004 -0.475 144 HD12 ILE 19 HD12 ILE 19 -0.575 -4.764 -0.383 145 HD13 ILE 19 HD13 ILE 19 -1.499 -3.975 -1.663 146 H ARG 20 HN ARG 20 3.181 -6.655 -4.856 147 HA ARG 20 HA ARG 20 1.405 -7.758 -6.902 148 HB2 ARG 20 HB2 ARG 20 4.351 -7.815 -6.416 149 HB3 ARG 20 HB1 ARG 20 3.629 -9.119 -7.349 150 HG2 ARG 20 HG2 ARG 20 3.020 -7.720 -9.082 151 HG3 ARG 20 HG1 ARG 20 3.063 -6.276 -8.068 152 HD2 ARG 20 HD2 ARG 20 5.047 -5.912 -9.055 153 HD3 ARG 20 HD1 ARG 20 5.642 -7.109 -7.906 154 HE ARG 20 HE ARG 20 4.724 -8.467 -10.164 155 HH11 ARG 20 HH11 ARG 20 7.252 -6.237 -9.283 156 HH12 ARG 20 HH12 ARG 20 8.354 -6.810 -10.490 157 HH21 ARG 20 HH21 ARG 20 6.170 -9.229 -11.753 158 HH22 ARG 20 HH22 ARG 20 7.741 -8.512 -11.891 159 H VAL 21 HN VAL 21 0.208 -9.462 -6.441 160 HA VAL 21 HA VAL 21 1.103 -11.306 -4.328 161 HB VAL 21 HB VAL 21 -1.276 -12.048 -4.227 162 HG11 VAL 21 HG11 VAL 21 -0.112 -10.020 -2.950 163 HG12 VAL 21 HG12 VAL 21 -1.802 -10.459 -2.695 164 HG13 VAL 21 HG13 VAL 21 -1.390 -9.124 -3.772 165 HG21 VAL 21 HG21 VAL 21 -2.751 -11.439 -5.770 166 HG22 VAL 21 HG22 VAL 21 -1.473 -10.567 -6.615 167 HG23 VAL 21 HG23 VAL 21 -2.465 -9.735 -5.417 168 H SER 22 HN SER 22 2.488 -12.446 -5.787 169 HA SER 22 HA SER 22 1.826 -13.575 -8.208 170 HB2 SER 22 HB2 SER 22 3.537 -15.320 -7.666 171 HB3 SER 22 HB1 SER 22 4.091 -13.671 -7.377 172 HG SER 22 HG SER 22 4.645 -14.794 -5.579 173 H TYR 23 HN TYR 23 2.205 -15.853 -5.555 174 HA TYR 23 HA TYR 23 0.643 -17.855 -6.429 175 HB2 TYR 23 HB2 TYR 23 1.150 -16.840 -3.659 176 HB3 TYR 23 HB1 TYR 23 0.009 -18.160 -3.890 177 HD1 TYR 23 HD1 TYR 23 2.971 -17.736 -6.025 178 HD2 TYR 23 HD2 TYR 23 1.324 -19.767 -2.670 179 HE1 TYR 23 HE1 TYR 23 4.843 -19.330 -6.080 180 HE2 TYR 23 HE2 TYR 23 3.190 -21.368 -2.714 181 HH TYR 23 HH TYR 23 5.291 -21.674 -5.317 182 H ALA 24 HN ALA 24 -0.585 -15.175 -4.428 183 HA ALA 24 HA ALA 24 -2.654 -14.262 -4.210 184 HB1 ALA 24 HB1 ALA 24 -4.234 -14.969 -6.284 185 HB2 ALA 24 HB2 ALA 24 -2.640 -15.256 -6.984 186 HB3 ALA 24 HB3 ALA 24 -3.050 -13.663 -6.349 187 H ARG 25 HN ARG 25 -2.210 -16.538 -2.797 188 HA ARG 25 HA ARG 25 -4.010 -18.641 -3.145 189 HB2 ARG 25 HB2 ARG 25 -2.213 -17.695 -1.072 190 HB3 ARG 25 HB1 ARG 25 -3.669 -18.406 -0.392 191 HG2 ARG 25 HG2 ARG 25 -3.272 -20.475 -1.480 192 HG3 ARG 25 HG1 ARG 25 -1.984 -19.780 -2.466 193 HD2 ARG 25 HD2 ARG 25 -0.841 -19.267 -0.213 194 HD3 ARG 25 HD1 ARG 25 -1.978 -20.436 0.459 195 HE ARG 25 HE ARG 25 0.336 -20.998 -1.127 196 HH11 ARG 25 HH11 ARG 25 -2.842 -22.126 -0.260 197 HH12 ARG 25 HH12 ARG 25 -2.491 -23.785 -0.610 198 HH21 ARG 25 HH21 ARG 25 0.810 -23.177 -1.596 199 HH22 ARG 25 HH22 ARG 25 -0.413 -24.383 -1.374 200 H VAL 26 HN VAL 26 -4.358 -16.491 -0.348 201 HA VAL 26 HA VAL 26 -6.988 -16.927 0.170 202 HB VAL 26 HB VAL 26 -7.108 -14.793 1.289 203 HG11 VAL 26 HG11 VAL 26 -4.267 -15.734 1.570 204 HG12 VAL 26 HG12 VAL 26 -5.642 -16.659 2.174 205 HG13 VAL 26 HG13 VAL 26 -5.318 -15.044 2.806 206 HG21 VAL 26 HG21 VAL 26 -6.271 -13.259 -0.293 207 HG22 VAL 26 HG22 VAL 26 -4.724 -14.098 -0.404 208 HG23 VAL 26 HG23 VAL 26 -5.140 -13.205 1.059 209 H SER 27 HN SER 27 -8.943 -16.320 -0.602 210 HA SER 27 HA SER 27 -9.198 -15.514 -3.271 211 HB2 SER 27 HB2 SER 27 -11.649 -14.914 -2.131 212 HB3 SER 27 HB1 SER 27 -11.170 -16.480 -2.786 213 HG SER 27 HG SER 27 -10.741 -17.205 -0.782 214 H GLU 28 HN GLU 28 -9.493 -13.653 -0.260 215 HA GLU 28 HA GLU 28 -9.343 -11.208 -1.884 216 HB2 GLU 28 HB2 GLU 28 -11.659 -11.728 -0.910 217 HB3 GLU 28 HB1 GLU 28 -10.946 -11.381 0.659 218 HG2 GLU 28 HG2 GLU 28 -11.470 -9.259 0.320 219 HG3 GLU 28 HG1 GLU 28 -10.214 -9.222 -0.918 220 H PHE 29 HN PHE 29 -8.191 -9.493 -0.986 221 HA PHE 29 HA PHE 29 -6.375 -10.277 1.175 222 HB2 PHE 29 HB2 PHE 29 -6.007 -7.778 -0.426 223 HB3 PHE 29 HB1 PHE 29 -4.795 -8.842 0.279 224 HD1 PHE 29 HD1 PHE 29 -6.093 -11.418 -0.855 225 HD2 PHE 29 HD2 PHE 29 -4.979 -7.697 -2.594 226 HE1 PHE 29 HE1 PHE 29 -5.795 -12.530 -3.030 227 HE2 PHE 29 HE2 PHE 29 -4.679 -8.801 -4.773 228 HZ PHE 29 HZ PHE 29 -5.088 -11.220 -4.992 229 H ASP 30 HN ASP 30 -5.660 -8.443 2.633 230 HA ASP 30 HA ASP 30 -8.020 -6.865 3.422 231 HB2 ASP 30 HB2 ASP 30 -5.799 -7.893 5.201 232 HB3 ASP 30 HB1 ASP 30 -7.226 -7.003 5.727 233 H VAL 31 HN VAL 31 -7.829 -4.727 3.346 234 HA VAL 31 HA VAL 31 -5.123 -3.559 3.385 235 HB VAL 31 HB VAL 31 -7.368 -2.244 1.902 236 HG11 VAL 31 HG11 VAL 31 -5.056 -1.805 0.535 237 HG12 VAL 31 HG12 VAL 31 -4.468 -1.936 2.192 238 HG13 VAL 31 HG13 VAL 31 -5.703 -0.744 1.786 239 HG21 VAL 31 HG21 VAL 31 -5.738 -3.613 0.042 240 HG22 VAL 31 HG22 VAL 31 -7.461 -3.831 0.351 241 HG23 VAL 31 HG23 VAL 31 -6.277 -4.793 1.237 242 H TYR 32 HN TYR 32 -4.837 -2.366 5.144 243 HA TYR 32 HA TYR 32 -7.102 -0.774 6.152 244 HB2 TYR 32 HB2 TYR 32 -5.104 -2.431 7.673 245 HB3 TYR 32 HB1 TYR 32 -5.932 -1.080 8.439 246 HD1 TYR 32 HD1 TYR 32 -6.711 -4.141 6.439 247 HD2 TYR 32 HD2 TYR 32 -7.909 -1.504 9.554 248 HE1 TYR 32 HE1 TYR 32 -8.622 -5.607 6.938 249 HE2 TYR 32 HE2 TYR 32 -9.824 -2.962 10.062 250 HH TYR 32 HH TYR 32 -11.212 -4.800 8.463 251 H PHE 33 HN PHE 33 -6.718 1.344 6.180 252 HA PHE 33 HA PHE 33 -3.949 2.275 6.495 253 HB2 PHE 33 HB2 PHE 33 -4.403 4.074 4.843 254 HB3 PHE 33 HB1 PHE 33 -4.446 2.464 4.133 255 HD1 PHE 33 HD2 PHE 33 -6.520 5.287 5.281 256 HD2 PHE 33 HD1 PHE 33 -6.408 1.627 3.113 257 HE1 PHE 33 HE2 PHE 33 -8.759 5.760 4.374 258 HE2 PHE 33 HE1 PHE 33 -8.644 2.094 2.201 259 HZ PHE 33 HZ PHE 33 -9.823 4.163 2.832 260 H GLU 34 HN GLU 34 -3.760 3.601 8.168 261 HA GLU 34 HA GLU 34 -5.985 5.391 8.841 262 HB2 GLU 34 HB2 GLU 34 -5.836 4.849 11.197 263 HB3 GLU 34 HB1 GLU 34 -6.160 3.386 10.278 264 HG2 GLU 34 HG2 GLU 34 -3.575 3.098 10.345 265 HG3 GLU 34 HG1 GLU 34 -3.680 4.211 11.710 266 H GLY 35 HN GLY 35 -5.241 7.415 8.903 267 HA2 GLY 35 HA2 GLY 35 -3.867 9.206 9.268 268 HA3 GLY 35 HA1 GLY 35 -3.063 8.225 10.482 269 H SER 36 HN SER 36 -1.427 6.667 9.671 270 HA SER 36 HA SER 36 -0.291 7.222 7.069 271 HB2 SER 36 HB2 SER 36 1.717 7.495 9.219 272 HB3 SER 36 HB1 SER 36 1.571 8.367 7.693 273 HG SER 36 HG SER 36 0.474 8.936 10.187 274 H ASP 37 HN ASP 37 -1.419 4.961 8.587 275 HA ASP 37 HA ASP 37 0.924 3.174 8.501 276 HB2 ASP 37 HB2 ASP 37 -1.540 2.848 10.225 277 HB3 ASP 37 HB1 ASP 37 -0.136 1.785 10.201 278 H PHE 38 HN PHE 38 0.840 2.044 6.678 279 HA PHE 38 HA PHE 38 -1.766 1.181 5.643 280 HB2 PHE 38 HB2 PHE 38 -0.354 2.400 4.058 281 HB3 PHE 38 HB1 PHE 38 0.950 1.244 4.308 282 HD1 PHE 38 HD1 PHE 38 -2.495 1.606 3.005 283 HD2 PHE 38 HD2 PHE 38 1.049 -0.750 3.080 284 HE1 PHE 38 HE1 PHE 38 -3.383 0.219 1.175 285 HE2 PHE 38 HE2 PHE 38 0.168 -2.140 1.251 286 HZ PHE 38 HZ PHE 38 -2.050 -1.657 0.296 287 H LYS 39 HN LYS 39 -2.381 -0.762 6.311 288 HA LYS 39 HA LYS 39 -0.331 -2.852 6.632 289 HB2 LYS 39 HB2 LYS 39 -2.941 -3.379 7.858 290 HB3 LYS 39 HB1 LYS 39 -1.327 -3.568 8.524 291 HG2 LYS 39 HG2 LYS 39 -2.260 -0.786 8.239 292 HG3 LYS 39 HG1 LYS 39 -3.132 -1.778 9.405 293 HD2 LYS 39 HD2 LYS 39 -1.446 -0.925 10.715 294 HD3 LYS 39 HD1 LYS 39 -0.734 -2.451 10.190 295 HE2 LYS 39 HE2 LYS 39 0.426 -1.250 8.376 296 HE3 LYS 39 HE1 LYS 39 -0.239 0.267 8.981 297 HZ1 LYS 39 HZ1 LYS 39 1.744 0.288 10.043 298 HZ2 LYS 39 HZ2 LYS 39 1.894 -1.396 10.076 299 HZ3 LYS 39 HZ3 LYS 39 0.886 -0.617 11.187 300 H PHE 40 HN PHE 40 -0.378 -4.457 5.208 301 HA PHE 40 HA PHE 40 -2.927 -5.067 3.859 302 HB2 PHE 40 HB2 PHE 40 -1.337 -3.918 2.348 303 HB3 PHE 40 HB1 PHE 40 -0.159 -5.192 2.643 304 HD1 PHE 40 HD2 PHE 40 -3.636 -4.686 1.411 305 HD2 PHE 40 HD1 PHE 40 -0.080 -7.017 1.239 306 HE1 PHE 40 HE2 PHE 40 -4.589 -5.997 -0.442 307 HE2 PHE 40 HE1 PHE 40 -1.025 -8.332 -0.612 308 HZ PHE 40 HZ PHE 40 -3.283 -7.823 -1.454 309 H TYR 41 HN TYR 41 -3.626 -7.012 4.499 310 HA TYR 41 HA TYR 41 -1.610 -9.108 4.970 311 HB2 TYR 41 HB2 TYR 41 -4.326 -9.272 6.201 312 HB3 TYR 41 HB1 TYR 41 -2.795 -9.918 6.778 313 HD1 TYR 41 HD2 TYR 41 -0.997 -7.964 7.302 314 HD2 TYR 41 HD1 TYR 41 -5.229 -7.541 7.410 315 HE1 TYR 41 HE2 TYR 41 -0.761 -6.049 8.827 316 HE2 TYR 41 HE1 TYR 41 -5.004 -5.625 8.935 317 HH TYR 41 HH TYR 41 -3.464 -4.035 9.679 318 H ALA 42 HN ALA 42 -1.578 -10.305 3.186 319 HA ALA 42 HA ALA 42 -4.075 -11.596 2.361 320 HB1 ALA 42 HB1 ALA 42 -3.979 -10.990 0.182 321 HB2 ALA 42 HB2 ALA 42 -2.216 -10.966 0.156 322 HB3 ALA 42 HB3 ALA 42 -3.107 -9.599 0.825 323 H LYS 43 HN LYS 43 -3.795 -13.740 2.445 324 HA LYS 43 HA LYS 43 -2.709 -15.717 2.837 325 HB2 LYS 43 HB2 LYS 43 -1.742 -16.573 0.889 326 HB3 LYS 43 HB1 LYS 43 -2.763 -15.284 0.289 327 HG2 LYS 43 HG2 LYS 43 -0.380 -13.998 0.676 328 HG3 LYS 43 HG1 LYS 43 0.130 -15.593 0.140 329 HD2 LYS 43 HD2 LYS 43 -0.152 -14.639 -1.898 330 HD3 LYS 43 HD1 LYS 43 -1.815 -15.160 -1.631 331 HE2 LYS 43 HE2 LYS 43 -1.268 -12.559 -0.462 332 HE3 LYS 43 HE1 LYS 43 -0.971 -12.591 -2.200 333 HZ1 LYS 43 HZ1 LYS 43 -3.375 -13.931 -1.680 334 HZ2 LYS 43 HZ2 LYS 43 -3.140 -12.496 -2.541 335 HZ3 LYS 43 HZ3 LYS 43 -3.423 -12.444 -0.874 336 HA PRO 44 HA PRO 44 1.288 -15.891 4.810 337 HB2 PRO 44 HB2 PRO 44 2.762 -16.443 2.259 338 HB3 PRO 44 HB1 PRO 44 2.947 -17.198 3.848 339 HG2 PRO 44 HG2 PRO 44 1.608 -18.448 1.926 340 HG3 PRO 44 HG1 PRO 44 1.032 -18.494 3.602 341 HD2 PRO 44 HD2 PRO 44 -0.025 -16.979 1.278 342 HD3 PRO 44 HD1 PRO 44 -0.890 -17.639 2.677 343 H TYR 45 HN TYR 45 0.966 -14.043 1.920 344 HA TYR 45 HA TYR 45 3.256 -12.370 2.265 345 HB2 TYR 45 HB2 TYR 45 0.763 -12.080 0.588 346 HB3 TYR 45 HB1 TYR 45 2.083 -10.919 0.567 347 HD1 TYR 45 HD1 TYR 45 4.415 -12.751 0.718 348 HD2 TYR 45 HD2 TYR 45 0.834 -13.020 -1.568 349 HE1 TYR 45 HE1 TYR 45 5.592 -14.114 -0.955 350 HE2 TYR 45 HE2 TYR 45 2.004 -14.384 -3.247 351 HH TYR 45 HH TYR 45 5.336 -15.443 -2.756 352 H PHE 46 HN PHE 46 3.462 -10.966 3.865 353 HA PHE 46 HA PHE 46 1.092 -9.436 4.717 354 HB2 PHE 46 HB2 PHE 46 2.955 -11.010 6.289 355 HB3 PHE 46 HB1 PHE 46 2.940 -9.331 6.818 356 HD1 PHE 46 HD1 PHE 46 0.305 -11.681 5.603 357 HD2 PHE 46 HD2 PHE 46 1.645 -9.075 8.688 358 HE1 PHE 46 HE1 PHE 46 -1.773 -12.098 6.852 359 HE2 PHE 46 HE2 PHE 46 -0.429 -9.488 9.944 360 HZ PHE 46 HZ PHE 46 -2.142 -11.001 9.026 361 H LEU 47 HN LEU 47 1.256 -7.316 4.314 362 HA LEU 47 HA LEU 47 3.965 -6.188 4.052 363 HB2 LEU 47 HB2 LEU 47 1.762 -6.186 2.207 364 HB3 LEU 47 HB1 LEU 47 2.194 -4.541 2.630 365 HG LEU 47 HG LEU 47 3.877 -6.626 1.279 366 HD11 LEU 47 HD11 LEU 47 4.028 -3.901 0.335 367 HD12 LEU 47 HD12 LEU 47 2.362 -4.481 0.376 368 HD13 LEU 47 HD13 LEU 47 3.585 -5.372 -0.530 369 HD21 LEU 47 HD21 LEU 47 4.751 -4.351 2.981 370 HD22 LEU 47 HD22 LEU 47 5.648 -4.686 1.500 371 HD23 LEU 47 HD23 LEU 47 5.493 -5.933 2.738 372 H ARG 48 HN ARG 48 4.397 -4.962 5.729 373 HA ARG 48 HA ARG 48 2.308 -3.143 6.735 374 HB2 ARG 48 HB2 ARG 48 3.768 -5.078 8.146 375 HB3 ARG 48 HB1 ARG 48 4.501 -3.540 8.584 376 HG2 ARG 48 HG2 ARG 48 2.839 -3.117 9.976 377 HG3 ARG 48 HG1 ARG 48 1.672 -3.249 8.659 378 HD2 ARG 48 HD2 ARG 48 1.578 -5.668 8.978 379 HD3 ARG 48 HD1 ARG 48 2.761 -5.548 10.280 380 HE ARG 48 HE ARG 48 0.329 -4.000 10.614 381 HH11 ARG 48 HH11 ARG 48 2.058 -6.945 11.302 382 HH12 ARG 48 HH12 ARG 48 1.096 -7.337 12.687 383 HH21 ARG 48 HH21 ARG 48 -0.940 -4.507 12.438 384 HH22 ARG 48 HH22 ARG 48 -0.608 -5.951 13.334 385 H LEU 49 HN LEU 49 2.701 -1.120 6.088 386 HA LEU 49 HA LEU 49 5.460 -0.132 6.206 387 HB2 LEU 49 HB2 LEU 49 3.578 0.194 3.872 388 HB3 LEU 49 HB1 LEU 49 5.078 1.082 4.062 389 HG LEU 49 HG LEU 49 4.897 -1.926 3.849 390 HD11 LEU 49 HD11 LEU 49 5.164 0.219 1.809 391 HD12 LEU 49 HD12 LEU 49 4.346 -1.341 1.715 392 HD13 LEU 49 HD13 LEU 49 6.103 -1.259 1.599 393 HD21 LEU 49 HD21 LEU 49 6.905 -0.407 4.914 394 HD22 LEU 49 HD22 LEU 49 7.405 -0.554 3.228 395 HD23 LEU 49 HD23 LEU 49 7.109 -2.002 4.191 396 H THR 50 HN THR 50 5.700 1.981 6.781 397 HA THR 50 HA THR 50 3.265 3.345 7.691 398 HB THR 50 HB THR 50 6.025 4.270 8.408 399 HG1 THR 50 HG1 THR 50 5.595 1.874 8.850 400 HG21 THR 50 HG21 THR 50 4.980 5.479 9.992 401 HG22 THR 50 HG22 THR 50 3.871 4.168 10.399 402 HG23 THR 50 HG23 THR 50 3.542 5.203 9.010 403 H LEU 51 HN LEU 51 2.486 4.853 6.384 404 HA LEU 51 HA LEU 51 4.028 5.973 4.251 405 HB2 LEU 51 HB2 LEU 51 1.275 6.675 5.262 406 HB3 LEU 51 HB1 LEU 51 1.980 7.267 3.772 407 HG LEU 51 HG LEU 51 1.333 4.384 4.387 408 HD11 LEU 51 HD11 LEU 51 -0.734 5.161 3.916 409 HD12 LEU 51 HD12 LEU 51 -0.161 5.011 2.254 410 HD13 LEU 51 HD13 LEU 51 -0.126 6.579 3.062 411 HD21 LEU 51 HD21 LEU 51 3.269 4.523 2.953 412 HD22 LEU 51 HD22 LEU 51 2.452 5.685 1.908 413 HD23 LEU 51 HD23 LEU 51 1.871 4.022 2.003 414 HA PRO 52 HA PRO 52 5.502 9.538 6.448 415 HB2 PRO 52 HB2 PRO 52 6.615 10.818 4.357 416 HB3 PRO 52 HB1 PRO 52 7.321 9.351 5.045 417 HG2 PRO 52 HG2 PRO 52 5.713 9.711 2.571 418 HG3 PRO 52 HG1 PRO 52 7.083 8.631 2.867 419 HD2 PRO 52 HD2 PRO 52 4.414 7.873 2.894 420 HD3 PRO 52 HD1 PRO 52 5.738 6.976 3.662 421 H GLY 53 HN GLY 53 3.264 10.236 6.859 422 HA2 GLY 53 HA2 GLY 53 2.608 12.751 6.563 423 HA3 GLY 53 HA1 GLY 53 2.201 12.189 4.948 424 H ARG 54 HN ARG 54 -0.007 12.563 5.110 425 HA ARG 54 HA ARG 54 -1.415 10.600 6.729 426 HB2 ARG 54 HB2 ARG 54 -2.655 13.284 6.730 427 HB3 ARG 54 HB1 ARG 54 -2.672 12.031 7.964 428 HG2 ARG 54 HG2 ARG 54 -0.131 13.485 7.404 429 HG3 ARG 54 HG1 ARG 54 -1.392 14.270 8.356 430 HD2 ARG 54 HD2 ARG 54 -1.150 12.841 10.109 431 HD3 ARG 54 HD1 ARG 54 -0.681 11.487 9.083 432 HE ARG 54 HE ARG 54 1.334 13.471 9.076 433 HH11 ARG 54 HH11 ARG 54 -0.051 10.989 11.084 434 HH12 ARG 54 HH12 ARG 54 1.411 10.706 11.968 435 HH21 ARG 54 HH21 ARG 54 3.267 13.109 10.232 436 HH22 ARG 54 HH22 ARG 54 3.299 11.911 11.483 437 H ILE 55 HN ILE 55 -3.214 9.778 5.818 438 HA ILE 55 HA ILE 55 -4.062 10.935 3.241 439 HB ILE 55 HB ILE 55 -4.001 8.030 4.080 440 HG12 ILE 55 HG12 ILE 55 -1.808 8.904 3.458 441 HG13 ILE 55 HG11 ILE 55 -2.394 7.793 2.224 442 HG21 ILE 55 HG21 ILE 55 -5.890 9.092 2.480 443 HG22 ILE 55 HG22 ILE 55 -5.268 7.451 2.310 444 HG23 ILE 55 HG23 ILE 55 -4.634 8.743 1.292 445 HD11 ILE 55 HD11 ILE 55 -3.061 10.602 1.741 446 HD12 ILE 55 HD12 ILE 55 -2.424 9.379 0.649 447 HD13 ILE 55 HD13 ILE 55 -1.337 10.238 1.739 448 H VAL 56 HN VAL 56 -6.123 11.584 3.128 449 HA VAL 56 HA VAL 56 -7.829 11.621 5.305 450 HB VAL 56 HB VAL 56 -8.057 13.096 3.336 451 HG11 VAL 56 HG11 VAL 56 -9.394 12.202 1.405 452 HG12 VAL 56 HG12 VAL 56 -9.099 10.587 2.046 453 HG13 VAL 56 HG13 VAL 56 -7.745 11.589 1.525 454 HG21 VAL 56 HG21 VAL 56 -10.581 11.563 3.957 455 HG22 VAL 56 HG22 VAL 56 -10.472 13.220 3.362 456 HG23 VAL 56 HG23 VAL 56 -9.887 12.824 4.979 457 H GLU 57 HN GLU 57 -9.721 10.532 5.855 458 HA GLU 57 HA GLU 57 -10.047 7.869 4.639 459 HB2 GLU 57 HB2 GLU 57 -11.022 7.605 7.208 460 HB3 GLU 57 HB1 GLU 57 -9.463 7.029 6.634 461 HG2 GLU 57 HG2 GLU 57 -8.338 8.912 7.484 462 HG3 GLU 57 HG1 GLU 57 -9.845 9.791 7.740 463 H ASN 58 HN ASN 58 -12.045 7.355 3.987 464 HA ASN 58 HA ASN 58 -14.420 8.357 5.178 465 HB2 ASN 58 HB2 ASN 58 -13.796 10.408 4.013 466 HB3 ASN 58 HB1 ASN 58 -13.633 9.524 2.498 467 HD21 ASN 58 HD21 ASN 58 -15.558 11.576 4.063 468 HD22 ASN 58 HD22 ASN 58 -17.092 11.145 3.396 469 H GLY 59 HN GLY 59 -12.855 6.925 2.369 470 HA2 GLY 59 HA2 GLY 59 -13.473 4.630 1.817 471 HA3 GLY 59 HA1 GLY 59 -15.140 5.068 2.157 472 H SER 60 HN SER 60 -13.547 7.555 0.533 473 HA SER 60 HA SER 60 -14.872 6.788 -1.961 474 HB2 SER 60 HB2 SER 60 -14.496 9.284 -0.558 475 HB3 SER 60 HB1 SER 60 -13.870 9.404 -2.204 476 HG SER 60 HG SER 60 -16.120 8.162 -2.469 477 H GLU 61 HN GLU 61 -12.292 5.680 -1.059 478 HA GLU 61 HA GLU 61 -10.267 6.884 -2.717 479 HB2 GLU 61 HB2 GLU 61 -9.766 4.137 -1.831 480 HB3 GLU 61 HB1 GLU 61 -8.810 5.592 -1.584 481 HG2 GLU 61 HG2 GLU 61 -9.362 5.317 0.561 482 HG3 GLU 61 HG1 GLU 61 -10.888 6.059 0.086 483 H GLN 62 HN GLN 62 -8.990 4.716 -3.863 484 HA GLN 62 HA GLN 62 -10.979 3.517 -5.654 485 HB2 GLN 62 HB2 GLN 62 -8.712 5.308 -6.420 486 HB3 GLN 62 HB1 GLN 62 -9.155 3.993 -7.501 487 HG2 GLN 62 HG2 GLN 62 -10.997 5.037 -8.206 488 HG3 GLN 62 HG1 GLN 62 -11.431 5.570 -6.583 489 HE21 GLN 62 HE21 GLN 62 -9.732 6.349 -9.500 490 HE22 GLN 62 HE22 GLN 62 -9.431 8.009 -9.128 491 H GLY 63 HN GLY 63 -10.665 1.403 -5.873 492 HA2 GLY 63 HA2 GLY 63 -7.937 0.352 -5.432 493 HA3 GLY 63 HA1 GLY 63 -9.363 -0.441 -4.780 494 H SER 64 HN SER 64 -7.191 -1.180 -6.831 495 HA SER 64 HA SER 64 -8.992 -2.604 -8.571 496 HB2 SER 64 HB2 SER 64 -7.505 -1.650 -10.585 497 HB3 SER 64 HB1 SER 64 -9.009 -0.883 -10.075 498 HG SER 64 HG SER 64 -7.744 0.528 -8.779 499 H TYR 65 HN TYR 65 -8.173 -4.564 -8.239 500 HA TYR 65 HA TYR 65 -5.260 -4.925 -8.472 501 HB2 TYR 65 HB2 TYR 65 -5.888 -5.721 -6.348 502 HB3 TYR 65 HB1 TYR 65 -7.365 -6.458 -6.962 503 HD1 TYR 65 HD2 TYR 65 -3.770 -6.724 -7.958 504 HD2 TYR 65 HD1 TYR 65 -7.288 -8.745 -6.675 505 HE1 TYR 65 HE2 TYR 65 -2.604 -8.878 -8.173 506 HE2 TYR 65 HE1 TYR 65 -6.131 -10.904 -6.885 507 HH TYR 65 HH TYR 65 -4.156 -11.812 -8.230 508 H ASP 66 HN ASP 66 -4.432 -6.542 -9.805 509 HA ASP 66 HA ASP 66 -6.370 -7.748 -11.668 510 HB2 ASP 66 HB2 ASP 66 -4.279 -5.916 -12.238 511 HB3 ASP 66 HB1 ASP 66 -3.809 -7.475 -12.907 512 H ALA 67 HN ALA 67 -6.315 -9.880 -11.799 513 HA ALA 67 HA ALA 67 -4.285 -11.366 -10.377 514 HB1 ALA 67 HB1 ALA 67 -6.520 -12.562 -11.986 515 HB2 ALA 67 HB2 ALA 67 -6.774 -11.895 -10.373 516 HB3 ALA 67 HB3 ALA 67 -5.668 -13.250 -10.603 517 H ASP 68 HN ASP 68 -5.323 -10.940 -13.720 518 HA ASP 68 HA ASP 68 -3.865 -12.918 -14.968 519 HB2 ASP 68 HB2 ASP 68 -5.448 -11.650 -16.228 520 HB3 ASP 68 HB1 ASP 68 -4.581 -10.148 -15.924 521 H LYS 69 HN LYS 69 -2.769 -9.601 -14.244 522 HA LYS 69 HA LYS 69 -0.066 -10.374 -15.057 523 HB2 LYS 69 HB2 LYS 69 0.090 -7.729 -14.311 524 HB3 LYS 69 HB1 LYS 69 -0.145 -8.323 -15.950 525 HG2 LYS 69 HG2 LYS 69 -2.521 -8.067 -15.767 526 HG3 LYS 69 HG1 LYS 69 -2.383 -7.653 -14.058 527 HD2 LYS 69 HD2 LYS 69 -0.704 -5.933 -15.630 528 HD3 LYS 69 HD1 LYS 69 -2.354 -5.906 -16.255 529 HE2 LYS 69 HE2 LYS 69 -2.581 -5.814 -13.460 530 HE3 LYS 69 HE1 LYS 69 -1.283 -4.696 -13.878 531 HZ1 LYS 69 HZ1 LYS 69 -3.619 -3.772 -13.852 532 HZ2 LYS 69 HZ2 LYS 69 -3.895 -4.655 -15.267 533 HZ3 LYS 69 HZ3 LYS 69 -2.705 -3.455 -15.240 534 H GLY 70 HN GLY 70 -1.947 -9.925 -12.244 535 HA2 GLY 70 HA2 GLY 70 -1.399 -10.298 -10.035 536 HA3 GLY 70 HA1 GLY 70 0.220 -10.725 -10.563 537 H ILE 71 HN ILE 71 -1.832 -7.813 -10.338 538 HA ILE 71 HA ILE 71 0.184 -6.491 -8.738 539 HB ILE 71 HB ILE 71 -0.512 -5.470 -11.490 540 HG12 ILE 71 HG12 ILE 71 2.074 -6.266 -10.143 541 HG13 ILE 71 HG11 ILE 71 1.311 -7.042 -11.526 542 HG21 ILE 71 HG21 ILE 71 1.195 -3.629 -10.613 543 HG22 ILE 71 HG22 ILE 71 0.457 -4.061 -9.070 544 HG23 ILE 71 HG23 ILE 71 -0.549 -3.477 -10.396 545 HD11 ILE 71 HD11 ILE 71 2.788 -4.451 -11.395 546 HD12 ILE 71 HD12 ILE 71 1.630 -4.764 -12.688 547 HD13 ILE 71 HD13 ILE 71 3.025 -5.824 -12.478 548 H PHE 72 HN PHE 72 -0.881 -5.485 -7.180 549 HA PHE 72 HA PHE 72 -3.605 -4.518 -7.729 550 HB2 PHE 72 HB2 PHE 72 -3.914 -6.042 -6.031 551 HB3 PHE 72 HB1 PHE 72 -2.324 -5.753 -5.335 552 HD1 PHE 72 HD2 PHE 72 -5.088 -3.375 -6.096 553 HD2 PHE 72 HD1 PHE 72 -2.679 -5.230 -3.118 554 HE1 PHE 72 HE2 PHE 72 -6.105 -1.934 -4.380 555 HE2 PHE 72 HE1 PHE 72 -3.692 -3.793 -1.398 556 HZ PHE 72 HZ PHE 72 -5.407 -2.142 -2.028 557 H THR 73 HN THR 73 -3.950 -2.410 -7.733 558 HA THR 73 HA THR 73 -2.087 -0.657 -6.269 559 HB THR 73 HB THR 73 -3.227 0.745 -8.489 560 HG1 THR 73 HG1 THR 73 -2.611 -0.464 -10.192 561 HG21 THR 73 HG21 THR 73 -0.954 0.867 -7.086 562 HG22 THR 73 HG22 THR 73 -1.115 1.554 -8.702 563 HG23 THR 73 HG23 THR 73 -0.369 -0.028 -8.488 564 H ILE 74 HN ILE 74 -3.043 0.691 -4.871 565 HA ILE 74 HA ILE 74 -5.898 1.316 -5.268 566 HB ILE 74 HB ILE 74 -5.831 -0.291 -3.505 567 HG12 ILE 74 HG12 ILE 74 -6.137 1.585 -1.481 568 HG13 ILE 74 HG11 ILE 74 -6.495 2.498 -2.942 569 HG21 ILE 74 HG21 ILE 74 -3.506 -0.238 -2.935 570 HG22 ILE 74 HG22 ILE 74 -4.442 0.068 -1.472 571 HG23 ILE 74 HG23 ILE 74 -3.648 1.404 -2.306 572 HD11 ILE 74 HD11 ILE 74 -7.773 -0.152 -2.395 573 HD12 ILE 74 HD12 ILE 74 -8.294 1.123 -3.495 574 HD13 ILE 74 HD13 ILE 74 -8.427 1.354 -1.752 575 H ARG 75 HN ARG 75 -6.207 3.430 -5.506 576 HA ARG 75 HA ARG 75 -4.189 5.335 -4.705 577 HB2 ARG 75 HB2 ARG 75 -6.914 5.923 -5.864 578 HB3 ARG 75 HB1 ARG 75 -5.495 6.961 -5.882 579 HG2 ARG 75 HG2 ARG 75 -4.385 5.158 -7.290 580 HG3 ARG 75 HG1 ARG 75 -6.000 4.468 -7.471 581 HD2 ARG 75 HD2 ARG 75 -5.335 5.975 -9.334 582 HD3 ARG 75 HD1 ARG 75 -6.808 6.470 -8.504 583 HE ARG 75 HE ARG 75 -4.307 7.703 -7.652 584 HH11 ARG 75 HH11 ARG 75 -7.290 7.972 -9.445 585 HH12 ARG 75 HH12 ARG 75 -7.224 9.698 -9.537 586 HH21 ARG 75 HH21 ARG 75 -4.220 9.975 -7.774 587 HH22 ARG 75 HH22 ARG 75 -5.482 10.836 -8.591 588 H LEU 76 HN LEU 76 -4.346 6.874 -3.129 589 HA LEU 76 HA LEU 76 -6.738 6.819 -1.429 590 HB2 LEU 76 HB2 LEU 76 -3.909 6.766 -0.391 591 HB3 LEU 76 HB1 LEU 76 -5.376 6.744 0.565 592 HG LEU 76 HG LEU 76 -4.858 4.553 -1.404 593 HD11 LEU 76 HD11 LEU 76 -3.907 3.313 0.634 594 HD12 LEU 76 HD12 LEU 76 -3.582 4.923 1.279 595 HD13 LEU 76 HD13 LEU 76 -2.849 4.418 -0.244 596 HD21 LEU 76 HD21 LEU 76 -6.523 4.962 1.043 597 HD22 LEU 76 HD22 LEU 76 -6.071 3.335 0.536 598 HD23 LEU 76 HD23 LEU 76 -6.997 4.372 -0.549 599 HA PRO 77 HA PRO 77 -6.277 11.232 -2.114 600 HB2 PRO 77 HB2 PRO 77 -8.315 11.918 -0.391 601 HB3 PRO 77 HB1 PRO 77 -8.545 11.457 -2.081 602 HG2 PRO 77 HG2 PRO 77 -8.854 9.807 0.393 603 HG3 PRO 77 HG1 PRO 77 -9.859 9.839 -1.067 604 HD2 PRO 77 HD2 PRO 77 -8.072 7.883 -0.621 605 HD3 PRO 77 HD1 PRO 77 -8.391 8.500 -2.255 606 H LYS 78 HN LYS 78 -5.568 13.049 -0.892 607 HA LYS 78 HA LYS 78 -4.265 12.296 1.609 608 HB2 LYS 78 HB2 LYS 78 -3.900 14.994 0.416 609 HB3 LYS 78 HB1 LYS 78 -2.727 13.944 1.201 610 HG2 LYS 78 HG2 LYS 78 -3.121 12.472 -0.951 611 HG3 LYS 78 HG1 LYS 78 -3.608 14.026 -1.632 612 HD2 LYS 78 HD2 LYS 78 -1.395 14.204 -2.068 613 HD3 LYS 78 HD1 LYS 78 -1.339 14.761 -0.394 614 HE2 LYS 78 HE2 LYS 78 0.149 13.135 -0.049 615 HE3 LYS 78 HE1 LYS 78 -1.212 12.019 -0.158 616 HZ1 LYS 78 HZ1 LYS 78 -0.336 11.158 -1.982 617 HZ2 LYS 78 HZ2 LYS 78 1.001 12.185 -1.838 618 HZ3 LYS 78 HZ3 LYS 78 -0.339 12.666 -2.751 619 H GLU 79 HN GLU 79 -4.352 13.652 3.465 620 HA GLU 79 HA GLU 79 -6.994 14.722 3.943 621 HB2 GLU 79 HB2 GLU 79 -6.237 13.539 5.793 622 HB3 GLU 79 HB1 GLU 79 -4.588 14.125 5.621 623 HG2 GLU 79 HG2 GLU 79 -5.206 16.278 6.483 624 HG3 GLU 79 HG1 GLU 79 -6.907 15.819 6.515 625 H THR 80 HN THR 80 -4.020 15.887 2.862 626 HA THR 80 HA THR 80 -4.931 18.648 3.164 627 HB THR 80 HB THR 80 -2.182 17.669 3.958 628 HG1 THR 80 HG1 THR 80 -3.185 17.633 5.832 629 HG21 THR 80 HG21 THR 80 -1.339 19.742 3.792 630 HG22 THR 80 HG22 THR 80 -2.824 20.497 4.371 631 HG23 THR 80 HG23 THR 80 -2.675 20.029 2.678 632 HA PRO 81 HA PRO 81 -3.908 18.345 -1.195 633 HB2 PRO 81 HB2 PRO 81 -4.296 21.043 -1.668 634 HB3 PRO 81 HB1 PRO 81 -5.565 19.816 -1.710 635 HG2 PRO 81 HG2 PRO 81 -4.832 21.713 0.479 636 HG3 PRO 81 HG1 PRO 81 -6.436 21.184 -0.059 637 HD2 PRO 81 HD2 PRO 81 -5.299 20.190 2.160 638 HD3 PRO 81 HD1 PRO 81 -6.301 19.179 1.097 639 H GLY 82 HN GLY 82 -2.074 18.708 -2.365 640 HA2 GLY 82 HA2 GLY 82 -0.060 19.745 -2.958 641 HA3 GLY 82 HA1 GLY 82 -0.202 20.781 -1.545 642 H GLN 83 HN GLN 83 -0.831 17.822 -0.383 643 HA GLN 83 HA GLN 83 1.795 17.556 0.768 644 HB2 GLN 83 HB2 GLN 83 0.072 17.117 2.292 645 HB3 GLN 83 HB1 GLN 83 -0.829 16.144 1.138 646 HG2 GLN 83 HG2 GLN 83 0.401 14.272 1.541 647 HG3 GLN 83 HG1 GLN 83 1.848 15.180 1.975 648 HE21 GLN 83 HE21 GLN 83 2.379 14.775 3.992 649 HE22 GLN 83 HE22 GLN 83 1.293 14.652 5.330 650 H HIS 84 HN HIS 84 3.382 16.303 0.064 651 HA HIS 84 HA HIS 84 2.728 14.063 -1.726 652 HB2 HIS 84 HB2 HIS 84 3.841 16.295 -2.703 653 HB3 HIS 84 HB1 HIS 84 5.305 15.492 -2.147 654 HD1 HIS 84 HD1 HIS 84 6.191 13.593 -3.551 655 HD2 HIS 84 HD2 HIS 84 2.415 14.856 -4.743 656 HE1 HIS 84 HE1 HIS 84 5.738 12.402 -5.720 657 HE2 HIS 84 HE2 HIS 84 3.478 13.239 -6.460 658 H PHE 85 HN PHE 85 3.514 12.186 -1.052 659 HA PHE 85 HA PHE 85 5.202 12.086 1.274 660 HB2 PHE 85 HB2 PHE 85 3.936 9.964 -0.450 661 HB3 PHE 85 HB1 PHE 85 4.928 9.594 0.946 662 HD1 PHE 85 HD2 PHE 85 3.191 12.587 1.518 663 HD2 PHE 85 HD1 PHE 85 2.670 8.362 1.469 664 HE1 PHE 85 HE2 PHE 85 1.218 12.816 2.969 665 HE2 PHE 85 HE1 PHE 85 0.694 8.585 2.918 666 HZ PHE 85 HZ PHE 85 -0.033 10.815 3.670 667 H GLU 86 HN GLU 86 7.182 12.916 0.603 668 HA GLU 86 HA GLU 86 8.580 11.926 -1.672 669 HB2 GLU 86 HB2 GLU 86 8.854 14.058 0.162 670 HB3 GLU 86 HB1 GLU 86 10.344 13.129 0.241 671 HG2 GLU 86 HG2 GLU 86 9.306 13.746 -2.454 672 HG3 GLU 86 HG1 GLU 86 9.937 15.095 -1.511 673 H GLY 87 HN GLY 87 10.933 11.215 -1.332 674 HA2 GLY 87 HA2 GLY 87 12.178 9.304 -0.940 675 HA3 GLY 87 HA1 GLY 87 12.053 9.892 0.707 676 H LEU 88 HN LEU 88 9.369 8.587 -1.198 677 HA LEU 88 HA LEU 88 8.511 6.878 0.850 678 HB2 LEU 88 HB2 LEU 88 7.893 7.256 -1.990 679 HB3 LEU 88 HB1 LEU 88 7.534 5.660 -1.375 680 HG LEU 88 HG LEU 88 6.385 8.289 -0.456 681 HD11 LEU 88 HD11 LEU 88 5.050 5.782 -1.462 682 HD12 LEU 88 HD12 LEU 88 5.411 7.191 -2.459 683 HD13 LEU 88 HD13 LEU 88 4.285 7.331 -1.110 684 HD21 LEU 88 HD21 LEU 88 6.665 7.225 1.580 685 HD22 LEU 88 HD22 LEU 88 6.440 5.619 0.888 686 HD23 LEU 88 HD23 LEU 88 5.056 6.692 1.095 687 H ASN 89 HN ASN 89 10.054 5.906 -2.258 688 HA ASN 89 HA ASN 89 10.565 3.275 -1.389 689 HB2 ASN 89 HB2 ASN 89 11.838 3.058 -3.451 690 HB3 ASN 89 HB1 ASN 89 10.330 3.915 -3.755 691 HD21 ASN 89 HD21 ASN 89 10.873 5.129 -5.465 692 HD22 ASN 89 HD22 ASN 89 12.135 6.308 -5.474 693 H MET 90 HN MET 90 11.902 5.845 -0.029 694 HA MET 90 HA MET 90 14.634 4.800 0.030 695 HB2 MET 90 HB2 MET 90 15.363 6.880 0.698 696 HB3 MET 90 HB1 MET 90 13.953 7.348 -0.238 697 HG2 MET 90 HG2 MET 90 13.186 8.435 1.521 698 HG3 MET 90 HG1 MET 90 13.054 6.912 2.394 699 HE1 MET 90 HE1 MET 90 13.768 7.838 4.999 700 HE2 MET 90 HE2 MET 90 13.166 9.179 4.024 701 HE3 MET 90 HE3 MET 90 14.639 9.371 4.974 702 H LEU 91 HN LEU 91 11.701 5.140 1.750 703 HA LEU 91 HA LEU 91 12.624 4.575 4.377 704 HB2 LEU 91 HB2 LEU 91 10.074 4.948 2.962 705 HB3 LEU 91 HB1 LEU 91 9.985 3.805 4.295 706 HG LEU 91 HG LEU 91 10.762 6.711 4.418 707 HD11 LEU 91 HD11 LEU 91 8.612 5.193 5.880 708 HD12 LEU 91 HD12 LEU 91 8.347 6.079 4.377 709 HD13 LEU 91 HD13 LEU 91 8.855 6.939 5.831 710 HD21 LEU 91 HD21 LEU 91 11.145 4.520 6.430 711 HD22 LEU 91 HD22 LEU 91 10.939 6.200 6.923 712 HD23 LEU 91 HD23 LEU 91 12.295 5.744 5.890 713 H THR 92 HN THR 92 13.192 2.634 5.225 714 HA THR 92 HA THR 92 11.981 0.201 4.205 715 HB THR 92 HB THR 92 14.874 -0.151 4.463 716 HG1 THR 92 HG1 THR 92 15.097 0.710 2.202 717 HG21 THR 92 HG21 THR 92 13.426 -0.812 1.977 718 HG22 THR 92 HG22 THR 92 12.844 -1.591 3.448 719 HG23 THR 92 HG23 THR 92 14.523 -1.794 2.947 720 H ALA 93 HN ALA 93 12.305 -1.635 5.598 721 HA ALA 93 HA ALA 93 12.822 -0.827 8.364 722 HB1 ALA 93 HB1 ALA 93 11.677 -2.910 8.986 723 HB2 ALA 93 HB2 ALA 93 11.488 -3.307 7.278 724 HB3 ALA 93 HB3 ALA 93 10.677 -1.893 7.950 725 H LEU 94 HN LEU 94 14.775 -1.217 9.173 726 HA LEU 94 HA LEU 94 16.196 -3.646 8.307 727 HB2 LEU 94 HB2 LEU 94 18.304 -2.226 8.811 728 HB3 LEU 94 HB1 LEU 94 17.481 -2.037 7.273 729 HG LEU 94 HG LEU 94 17.000 -0.209 9.621 730 HD11 LEU 94 HD11 LEU 94 19.212 -0.294 7.693 731 HD12 LEU 94 HD12 LEU 94 19.108 0.477 9.277 732 HD13 LEU 94 HD13 LEU 94 18.423 1.275 7.861 733 HD21 LEU 94 HD21 LEU 94 15.388 0.608 8.337 734 HD22 LEU 94 HD22 LEU 94 15.785 -0.540 7.059 735 HD23 LEU 94 HD23 LEU 94 16.593 1.026 7.119 736 H LEU 95 HN LEU 95 16.102 -4.992 10.041 737 HA LEU 95 HA LEU 95 16.268 -3.869 12.720 738 HB2 LEU 95 HB2 LEU 95 15.760 -6.669 11.721 739 HB3 LEU 95 HB1 LEU 95 15.872 -6.251 13.420 740 HG LEU 95 HG LEU 95 13.931 -4.743 13.159 741 HD11 LEU 95 HD11 LEU 95 12.569 -5.151 11.027 742 HD12 LEU 95 HD12 LEU 95 14.088 -5.714 10.329 743 HD13 LEU 95 HD13 LEU 95 13.953 -4.062 10.931 744 HD21 LEU 95 HD21 LEU 95 12.246 -6.501 12.926 745 HD22 LEU 95 HD22 LEU 95 13.604 -7.035 13.915 746 HD23 LEU 95 HD23 LEU 95 13.464 -7.578 12.243 747 H ALA 96 HN ALA 96 18.198 -3.554 13.600 748 HA ALA 96 HA ALA 96 20.266 -4.063 14.449 749 HB1 ALA 96 HB1 ALA 96 20.497 -6.559 12.831 750 HB2 ALA 96 HB2 ALA 96 19.392 -6.512 14.206 751 HB3 ALA 96 HB3 ALA 96 21.112 -6.201 14.445 Start of MODEL 9 1 H MET 1 H MET 1 8.456 -17.967 1.834 2 HA MET 1 HA MET 1 6.286 -16.376 1.127 3 HB2 MET 1 HB2 MET 1 7.200 -16.228 4.005 4 HB3 MET 1 HB1 MET 1 6.338 -14.929 3.191 5 HG2 MET 1 HG2 MET 1 4.368 -15.936 3.427 6 HG3 MET 1 HG1 MET 1 5.009 -17.505 2.946 7 HE1 MET 1 HE1 MET 1 3.096 -18.352 4.739 8 HE2 MET 1 HE2 MET 1 2.768 -16.712 5.301 9 HE3 MET 1 HE3 MET 1 3.170 -17.979 6.462 10 H LEU 2 HN LEU 2 7.358 -15.116 -0.234 11 HA LEU 2 HA LEU 2 10.054 -14.199 0.519 12 HB2 LEU 2 HB2 LEU 2 9.497 -13.902 -2.288 13 HB3 LEU 2 HB1 LEU 2 10.798 -14.772 -1.498 14 HG LEU 2 HG LEU 2 9.065 -16.651 -1.152 15 HD11 LEU 2 HD11 LEU 2 7.072 -16.579 -2.183 16 HD12 LEU 2 HD12 LEU 2 7.715 -15.739 -3.594 17 HD13 LEU 2 HD13 LEU 2 7.316 -14.834 -2.134 18 HD21 LEU 2 HD21 LEU 2 9.700 -16.254 -4.036 19 HD22 LEU 2 HD22 LEU 2 9.850 -17.698 -3.036 20 HD23 LEU 2 HD23 LEU 2 11.021 -16.391 -2.877 21 H THR 3 HN THR 3 10.679 -12.066 -0.282 22 HA THR 3 HA THR 3 8.590 -10.145 0.185 23 HB THR 3 HB THR 3 11.347 -9.423 -0.753 24 HG1 THR 3 HG1 THR 3 11.250 -9.465 1.925 25 HG21 THR 3 HG21 THR 3 11.020 -7.442 0.488 26 HG22 THR 3 HG22 THR 3 9.642 -8.119 1.353 27 HG23 THR 3 HG23 THR 3 9.501 -7.725 -0.359 28 HA PRO 4 HA PRO 4 7.651 -9.965 -4.226 29 HB2 PRO 4 HB2 PRO 4 5.498 -8.328 -3.947 30 HB3 PRO 4 HB1 PRO 4 5.430 -10.069 -3.653 31 HG2 PRO 4 HG2 PRO 4 5.687 -7.826 -1.688 32 HG3 PRO 4 HG1 PRO 4 4.686 -9.286 -1.595 33 HD2 PRO 4 HD2 PRO 4 7.040 -9.047 -0.279 34 HD3 PRO 4 HD1 PRO 4 6.446 -10.601 -0.898 35 H ALA 5 HN ALA 5 8.058 -8.451 -5.816 36 HA ALA 5 HA ALA 5 9.574 -6.153 -5.036 37 HB1 ALA 5 HB1 ALA 5 10.064 -7.564 -7.047 38 HB2 ALA 5 HB2 ALA 5 10.013 -5.827 -7.349 39 HB3 ALA 5 HB3 ALA 5 8.649 -6.843 -7.815 40 H PHE 6 HN PHE 6 7.585 -5.339 -3.801 41 HA PHE 6 HA PHE 6 5.492 -4.111 -5.314 42 HB2 PHE 6 HB2 PHE 6 4.720 -3.275 -3.204 43 HB3 PHE 6 HB1 PHE 6 5.281 -4.922 -2.944 44 HD1 PHE 6 HD2 PHE 6 6.352 -1.375 -2.666 45 HD2 PHE 6 HD1 PHE 6 6.848 -5.375 -1.298 46 HE1 PHE 6 HE2 PHE 6 7.864 -0.579 -0.895 47 HE2 PHE 6 HE1 PHE 6 8.359 -4.586 0.477 48 HZ PHE 6 HZ PHE 6 8.869 -2.185 0.679 49 H ASP 7 HN ASP 7 5.035 -1.758 -5.152 50 HA ASP 7 HA ASP 7 7.369 -0.044 -4.845 51 HB2 ASP 7 HB2 ASP 7 7.084 -0.933 -7.295 52 HB3 ASP 7 HB1 ASP 7 5.784 0.254 -7.373 53 H LEU 8 HN LEU 8 6.868 2.076 -4.319 54 HA LEU 8 HA LEU 8 4.002 2.611 -3.915 55 HB2 LEU 8 HB2 LEU 8 6.104 4.114 -2.430 56 HB3 LEU 8 HB1 LEU 8 4.471 3.702 -1.939 57 HG LEU 8 HG LEU 8 6.508 1.533 -2.229 58 HD11 LEU 8 HD11 LEU 8 6.168 3.189 0.261 59 HD12 LEU 8 HD12 LEU 8 7.517 3.355 -0.862 60 HD13 LEU 8 HD13 LEU 8 7.276 1.841 0.010 61 HD21 LEU 8 HD21 LEU 8 4.644 0.433 -1.648 62 HD22 LEU 8 HD22 LEU 8 3.843 1.897 -1.078 63 HD23 LEU 8 HD23 LEU 8 4.973 1.044 -0.027 64 H SER 9 HN SER 9 3.112 4.395 -4.736 65 HA SER 9 HA SER 9 4.795 6.552 -5.752 66 HB2 SER 9 HB2 SER 9 4.600 5.493 -7.807 67 HB3 SER 9 HB1 SER 9 3.034 4.786 -7.410 68 HG SER 9 HG SER 9 3.539 7.024 -8.751 69 H GLN 10 HN GLN 10 3.891 8.526 -5.462 70 HA GLN 10 HA GLN 10 1.054 8.592 -4.699 71 HB2 GLN 10 HB2 GLN 10 1.456 9.866 -2.802 72 HB3 GLN 10 HB1 GLN 10 2.774 8.706 -2.778 73 HG2 GLN 10 HG2 GLN 10 2.947 11.542 -3.774 74 HG3 GLN 10 HG1 GLN 10 3.534 10.952 -2.220 75 HE21 GLN 10 HE21 GLN 10 4.554 11.883 -5.123 76 HE22 GLN 10 HE22 GLN 10 5.966 10.904 -5.299 77 H ASP 11 HN ASP 11 -0.121 10.306 -5.310 78 HA ASP 11 HA ASP 11 1.134 12.196 -7.174 79 HB2 ASP 11 HB2 ASP 11 -1.444 10.797 -7.102 80 HB3 ASP 11 HB1 ASP 11 -1.592 12.517 -7.450 81 HA PRO 12 HA PRO 12 0.443 15.675 -4.575 82 HB2 PRO 12 HB2 PRO 12 -0.745 17.487 -6.250 83 HB3 PRO 12 HB1 PRO 12 0.980 17.108 -6.265 84 HG2 PRO 12 HG2 PRO 12 -1.201 16.063 -8.031 85 HG3 PRO 12 HG1 PRO 12 0.431 16.603 -8.471 86 HD2 PRO 12 HD2 PRO 12 -0.166 13.998 -8.254 87 HD3 PRO 12 HD1 PRO 12 1.414 14.630 -7.745 88 H ASP 13 HN ASP 13 -2.167 13.899 -5.725 89 HA ASP 13 HA ASP 13 -3.976 15.278 -3.880 90 HB2 ASP 13 HB2 ASP 13 -4.738 14.282 -6.627 91 HB3 ASP 13 HB1 ASP 13 -5.854 14.916 -5.428 92 H PHE 14 HN PHE 14 -2.320 12.629 -4.319 93 HA PHE 14 HA PHE 14 -4.030 10.974 -2.762 94 HB2 PHE 14 HB2 PHE 14 -3.714 10.252 -5.682 95 HB3 PHE 14 HB1 PHE 14 -4.241 9.122 -4.452 96 HD1 PHE 14 HD2 PHE 14 -6.408 9.444 -3.318 97 HD2 PHE 14 HD1 PHE 14 -5.201 11.836 -6.624 98 HE1 PHE 14 HE2 PHE 14 -8.742 10.139 -3.662 99 HE2 PHE 14 HE1 PHE 14 -7.534 12.534 -6.977 100 HZ PHE 14 HZ PHE 14 -9.308 11.685 -5.493 101 H LEU 15 HN LEU 15 -3.182 8.708 -2.630 102 HA LEU 15 HA LEU 15 -0.294 8.500 -3.120 103 HB2 LEU 15 HB2 LEU 15 -0.369 9.075 -0.811 104 HB3 LEU 15 HB1 LEU 15 -1.753 8.044 -0.519 105 HG LEU 15 HG LEU 15 0.456 7.227 0.388 106 HD11 LEU 15 HD11 LEU 15 -0.541 5.198 -1.537 107 HD12 LEU 15 HD12 LEU 15 -1.670 5.853 -0.352 108 HD13 LEU 15 HD13 LEU 15 -0.194 5.051 0.186 109 HD21 LEU 15 HD21 LEU 15 1.229 7.665 -2.312 110 HD22 LEU 15 HD22 LEU 15 1.377 5.943 -1.959 111 HD23 LEU 15 HD23 LEU 15 2.216 7.125 -0.953 112 H THR 16 HN THR 16 -0.197 6.786 -4.567 113 HA THR 16 HA THR 16 -2.124 4.628 -4.169 114 HB THR 16 HB THR 16 -0.361 4.931 -6.582 115 HG1 THR 16 HG1 THR 16 -1.534 6.913 -6.310 116 HG21 THR 16 HG21 THR 16 -2.465 3.906 -7.624 117 HG22 THR 16 HG22 THR 16 -2.966 3.575 -5.966 118 HG23 THR 16 HG23 THR 16 -1.476 2.872 -6.593 119 H ILE 17 HN ILE 17 -1.469 2.498 -4.094 120 HA ILE 17 HA ILE 17 1.413 2.051 -3.691 121 HB ILE 17 HB ILE 17 -0.787 0.581 -2.237 122 HG12 ILE 17 HG12 ILE 17 0.949 2.865 -1.258 123 HG13 ILE 17 HG11 ILE 17 -0.774 2.968 -1.604 124 HG21 ILE 17 HG21 ILE 17 1.288 0.161 -0.707 125 HG22 ILE 17 HG22 ILE 17 2.197 0.533 -2.171 126 HG23 ILE 17 HG23 ILE 17 1.050 -0.807 -2.161 127 HD11 ILE 17 HD11 ILE 17 -1.348 2.015 0.343 128 HD12 ILE 17 HD12 ILE 17 0.259 2.547 0.840 129 HD13 ILE 17 HD13 ILE 17 0.004 0.883 0.314 130 H ALA 18 HN ALA 18 2.202 -0.023 -4.314 131 HA ALA 18 HA ALA 18 0.400 -1.607 -6.000 132 HB1 ALA 18 HB1 ALA 18 1.427 -0.310 -7.650 133 HB2 ALA 18 HB2 ALA 18 2.346 -1.815 -7.647 134 HB3 ALA 18 HB3 ALA 18 3.000 -0.380 -6.856 135 H ILE 19 HN ILE 19 0.463 -3.649 -5.393 136 HA ILE 19 HA ILE 19 2.988 -4.720 -4.310 137 HB ILE 19 HB ILE 19 0.409 -5.942 -3.482 138 HG12 ILE 19 HG12 ILE 19 1.482 -3.354 -2.338 139 HG13 ILE 19 HG11 ILE 19 -0.046 -3.562 -3.187 140 HG21 ILE 19 HG21 ILE 19 3.087 -5.469 -2.196 141 HG22 ILE 19 HG22 ILE 19 2.398 -7.001 -2.735 142 HG23 ILE 19 HG23 ILE 19 1.709 -6.164 -1.344 143 HD11 ILE 19 HD11 ILE 19 0.578 -5.033 -0.652 144 HD12 ILE 19 HD12 ILE 19 -0.990 -4.764 -1.413 145 HD13 ILE 19 HD13 ILE 19 -0.131 -3.418 -0.661 146 H ARG 20 HN ARG 20 3.788 -6.425 -5.369 147 HA ARG 20 HA ARG 20 2.334 -7.557 -7.575 148 HB2 ARG 20 HB2 ARG 20 5.058 -7.406 -6.732 149 HB3 ARG 20 HB1 ARG 20 4.652 -9.100 -6.956 150 HG2 ARG 20 HG2 ARG 20 4.350 -8.879 -9.203 151 HG3 ARG 20 HG1 ARG 20 3.859 -7.189 -9.083 152 HD2 ARG 20 HD2 ARG 20 5.944 -6.471 -9.404 153 HD3 ARG 20 HD1 ARG 20 6.590 -7.586 -8.202 154 HE ARG 20 HE ARG 20 6.264 -9.260 -10.192 155 HH11 ARG 20 HH11 ARG 20 7.465 -5.984 -10.315 156 HH12 ARG 20 HH12 ARG 20 8.450 -6.265 -11.710 157 HH21 ARG 20 HH21 ARG 20 7.561 -9.630 -12.028 158 HH22 ARG 20 HH22 ARG 20 8.508 -8.335 -12.680 159 H VAL 21 HN VAL 21 0.898 -9.135 -7.377 160 HA VAL 21 HA VAL 21 1.406 -11.317 -5.504 161 HB VAL 21 HB VAL 21 -0.786 -11.277 -4.539 162 HG11 VAL 21 HG11 VAL 21 -0.354 -8.421 -4.187 163 HG12 VAL 21 HG12 VAL 21 1.130 -9.361 -4.044 164 HG13 VAL 21 HG13 VAL 21 -0.251 -9.735 -3.014 165 HG21 VAL 21 HG21 VAL 21 -2.484 -10.488 -5.742 166 HG22 VAL 21 HG22 VAL 21 -1.394 -9.603 -6.808 167 HG23 VAL 21 HG23 VAL 21 -1.952 -8.864 -5.308 168 H SER 22 HN SER 22 0.981 -13.233 -6.367 169 HA SER 22 HA SER 22 -0.735 -13.338 -8.760 170 HB2 SER 22 HB2 SER 22 0.754 -15.322 -9.413 171 HB3 SER 22 HB1 SER 22 1.461 -13.713 -9.558 172 HG SER 22 HG SER 22 2.388 -15.749 -8.178 173 H TYR 23 HN TYR 23 0.708 -15.493 -6.311 174 HA TYR 23 HA TYR 23 -1.148 -17.555 -6.535 175 HB2 TYR 23 HB2 TYR 23 0.597 -16.647 -4.252 176 HB3 TYR 23 HB1 TYR 23 -0.434 -18.067 -4.124 177 HD1 TYR 23 HD1 TYR 23 0.951 -17.371 -7.385 178 HD2 TYR 23 HD2 TYR 23 1.665 -19.365 -3.696 179 HE1 TYR 23 HE1 TYR 23 2.695 -18.728 -8.464 180 HE2 TYR 23 HE2 TYR 23 3.412 -20.728 -4.764 181 HH TYR 23 HH TYR 23 3.758 -21.053 -8.018 182 H ALA 24 HN ALA 24 -1.081 -14.902 -4.170 183 HA ALA 24 HA ALA 24 -2.684 -14.212 -2.661 184 HB1 ALA 24 HB1 ALA 24 -3.583 -12.768 -4.130 185 HB2 ALA 24 HB2 ALA 24 -4.945 -13.888 -4.123 186 HB3 ALA 24 HB3 ALA 24 -3.729 -13.987 -5.396 187 H ARG 25 HN ARG 25 -3.080 -15.812 -1.204 188 HA ARG 25 HA ARG 25 -4.562 -18.163 -1.777 189 HB2 ARG 25 HB2 ARG 25 -3.428 -16.888 0.638 190 HB3 ARG 25 HB1 ARG 25 -4.789 -17.969 0.910 191 HG2 ARG 25 HG2 ARG 25 -2.852 -19.130 -0.897 192 HG3 ARG 25 HG1 ARG 25 -2.128 -18.683 0.651 193 HD2 ARG 25 HD2 ARG 25 -4.722 -19.979 0.935 194 HD3 ARG 25 HD1 ARG 25 -3.534 -20.994 0.119 195 HE ARG 25 HE ARG 25 -2.477 -19.785 2.476 196 HH11 ARG 25 HH11 ARG 25 -4.461 -22.402 1.316 197 HH12 ARG 25 HH12 ARG 25 -4.138 -23.421 2.678 198 HH21 ARG 25 HH21 ARG 25 -2.047 -21.117 4.274 199 HH22 ARG 25 HH22 ARG 25 -2.765 -22.692 4.359 200 H VAL 26 HN VAL 26 -5.483 -15.590 0.508 201 HA VAL 26 HA VAL 26 -8.196 -16.252 0.585 202 HB VAL 26 HB VAL 26 -8.576 -14.077 1.595 203 HG11 VAL 26 HG11 VAL 26 -6.568 -14.156 3.270 204 HG12 VAL 26 HG12 VAL 26 -6.164 -15.637 2.402 205 HG13 VAL 26 HG13 VAL 26 -7.726 -15.483 3.205 206 HG21 VAL 26 HG21 VAL 26 -5.730 -13.354 0.929 207 HG22 VAL 26 HG22 VAL 26 -6.978 -12.326 1.632 208 HG23 VAL 26 HG23 VAL 26 -7.107 -12.847 -0.047 209 H SER 27 HN SER 27 -9.938 -15.708 -0.632 210 HA SER 27 HA SER 27 -9.650 -14.954 -3.294 211 HB2 SER 27 HB2 SER 27 -12.164 -14.486 -1.685 212 HB3 SER 27 HB1 SER 27 -12.029 -14.868 -3.402 213 HG SER 27 HG SER 27 -12.620 -16.701 -2.180 214 H GLU 28 HN GLU 28 -10.419 -13.013 -0.453 215 HA GLU 28 HA GLU 28 -10.039 -10.586 -2.083 216 HB2 GLU 28 HB2 GLU 28 -12.332 -10.724 -1.289 217 HB3 GLU 28 HB1 GLU 28 -11.779 -10.991 0.358 218 HG2 GLU 28 HG2 GLU 28 -10.686 -8.558 -0.763 219 HG3 GLU 28 HG1 GLU 28 -12.448 -8.571 -0.801 220 H PHE 29 HN PHE 29 -8.622 -9.056 -1.348 221 HA PHE 29 HA PHE 29 -6.834 -9.896 0.778 222 HB2 PHE 29 HB2 PHE 29 -6.486 -7.318 -0.691 223 HB3 PHE 29 HB1 PHE 29 -5.268 -8.452 -0.117 224 HD1 PHE 29 HD1 PHE 29 -6.444 -10.961 -1.305 225 HD2 PHE 29 HD2 PHE 29 -5.809 -7.078 -2.928 226 HE1 PHE 29 HE1 PHE 29 -6.284 -11.934 -3.560 227 HE2 PHE 29 HE2 PHE 29 -5.648 -8.044 -5.186 228 HZ PHE 29 HZ PHE 29 -5.887 -10.474 -5.504 229 H ASP 30 HN ASP 30 -6.020 -8.186 2.307 230 HA ASP 30 HA ASP 30 -8.269 -6.530 3.246 231 HB2 ASP 30 HB2 ASP 30 -6.142 -7.649 5.060 232 HB3 ASP 30 HB1 ASP 30 -7.730 -7.022 5.488 233 H VAL 31 HN VAL 31 -7.868 -4.441 3.007 234 HA VAL 31 HA VAL 31 -5.086 -3.503 3.264 235 HB VAL 31 HB VAL 31 -7.197 -1.922 1.841 236 HG11 VAL 31 HG11 VAL 31 -5.078 -1.277 0.534 237 HG12 VAL 31 HG12 VAL 31 -4.202 -2.036 1.864 238 HG13 VAL 31 HG13 VAL 31 -5.265 -0.663 2.177 239 HG21 VAL 31 HG21 VAL 31 -6.295 -2.971 -0.286 240 HG22 VAL 31 HG22 VAL 31 -7.372 -3.973 0.687 241 HG23 VAL 31 HG23 VAL 31 -5.630 -4.241 0.741 242 H TYR 32 HN TYR 32 -4.728 -2.454 5.097 243 HA TYR 32 HA TYR 32 -6.948 -0.945 6.309 244 HB2 TYR 32 HB2 TYR 32 -4.754 -2.589 7.475 245 HB3 TYR 32 HB1 TYR 32 -5.301 -1.185 8.385 246 HD1 TYR 32 HD2 TYR 32 -6.553 -4.278 6.733 247 HD2 TYR 32 HD1 TYR 32 -7.196 -1.335 9.737 248 HE1 TYR 32 HE2 TYR 32 -8.444 -5.587 7.601 249 HE2 TYR 32 HE1 TYR 32 -9.090 -2.636 10.616 250 HH TYR 32 HH TYR 32 -9.809 -5.850 9.449 251 H PHE 33 HN PHE 33 -6.782 1.153 6.020 252 HA PHE 33 HA PHE 33 -4.120 2.395 6.170 253 HB2 PHE 33 HB2 PHE 33 -4.676 3.909 4.426 254 HB3 PHE 33 HB1 PHE 33 -5.127 2.310 3.848 255 HD1 PHE 33 HD2 PHE 33 -7.534 1.623 3.919 256 HD2 PHE 33 HD1 PHE 33 -6.270 5.625 4.615 257 HE1 PHE 33 HE2 PHE 33 -9.822 2.416 3.481 258 HE2 PHE 33 HE1 PHE 33 -8.553 6.426 4.181 259 HZ PHE 33 HZ PHE 33 -10.334 4.823 3.612 260 H GLU 34 HN GLU 34 -3.988 3.624 7.938 261 HA GLU 34 HA GLU 34 -6.290 5.295 8.655 262 HB2 GLU 34 HB2 GLU 34 -4.861 3.328 10.401 263 HB3 GLU 34 HB1 GLU 34 -5.561 4.778 11.111 264 HG2 GLU 34 HG2 GLU 34 -7.695 4.052 9.835 265 HG3 GLU 34 HG1 GLU 34 -6.912 2.472 9.796 266 H GLY 35 HN GLY 35 -5.663 7.345 8.650 267 HA2 GLY 35 HA2 GLY 35 -4.401 9.226 8.963 268 HA3 GLY 35 HA1 GLY 35 -3.603 8.339 10.249 269 H SER 36 HN SER 36 -1.849 6.829 9.555 270 HA SER 36 HA SER 36 -0.594 7.474 7.014 271 HB2 SER 36 HB2 SER 36 1.320 7.665 9.237 272 HB3 SER 36 HB1 SER 36 1.161 8.669 7.796 273 HG SER 36 HG SER 36 0.611 9.494 10.089 274 H ASP 37 HN ASP 37 -1.764 5.123 8.367 275 HA ASP 37 HA ASP 37 0.614 3.380 8.357 276 HB2 ASP 37 HB2 ASP 37 -0.968 3.700 10.493 277 HB3 ASP 37 HB1 ASP 37 -1.894 2.451 9.664 278 H PHE 38 HN PHE 38 0.666 1.780 6.885 279 HA PHE 38 HA PHE 38 -1.843 1.120 5.492 280 HB2 PHE 38 HB2 PHE 38 -0.524 2.490 3.997 281 HB3 PHE 38 HB1 PHE 38 0.899 1.490 4.272 282 HD1 PHE 38 HD1 PHE 38 -2.426 1.609 2.701 283 HD2 PHE 38 HD2 PHE 38 1.213 -0.560 3.109 284 HE1 PHE 38 HE1 PHE 38 -3.066 0.185 0.798 285 HE2 PHE 38 HE2 PHE 38 0.581 -1.985 1.206 286 HZ PHE 38 HZ PHE 38 -1.561 -1.614 0.048 287 H LYS 39 HN LYS 39 -2.377 -0.897 5.929 288 HA LYS 39 HA LYS 39 -0.233 -2.917 6.077 289 HB2 LYS 39 HB2 LYS 39 -2.829 -3.303 7.513 290 HB3 LYS 39 HB1 LYS 39 -1.249 -3.987 7.866 291 HG2 LYS 39 HG2 LYS 39 -1.737 -1.052 8.165 292 HG3 LYS 39 HG1 LYS 39 -2.214 -2.185 9.431 293 HD2 LYS 39 HD2 LYS 39 0.321 -3.012 8.920 294 HD3 LYS 39 HD1 LYS 39 0.460 -1.280 8.608 295 HE2 LYS 39 HE2 LYS 39 0.536 -0.888 10.790 296 HE3 LYS 39 HE1 LYS 39 -1.057 -1.619 10.980 297 HZ1 LYS 39 HZ1 LYS 39 1.555 -2.704 11.576 298 HZ2 LYS 39 HZ2 LYS 39 0.516 -3.780 10.786 299 HZ3 LYS 39 HZ3 LYS 39 0.048 -3.074 12.251 300 H PHE 40 HN PHE 40 -0.376 -4.535 4.667 301 HA PHE 40 HA PHE 40 -2.968 -5.015 3.344 302 HB2 PHE 40 HB2 PHE 40 -1.443 -3.913 1.801 303 HB3 PHE 40 HB1 PHE 40 -0.191 -5.101 2.145 304 HD1 PHE 40 HD2 PHE 40 -3.652 -4.822 0.809 305 HD2 PHE 40 HD1 PHE 40 0.029 -6.959 0.790 306 HE1 PHE 40 HE2 PHE 40 -4.470 -6.206 -1.054 307 HE2 PHE 40 HE1 PHE 40 -0.782 -8.346 -1.074 308 HZ PHE 40 HZ PHE 40 -3.034 -7.970 -1.998 309 H TYR 41 HN TYR 41 -3.729 -6.918 4.063 310 HA TYR 41 HA TYR 41 -1.813 -9.111 4.468 311 HB2 TYR 41 HB2 TYR 41 -4.615 -9.085 5.556 312 HB3 TYR 41 HB1 TYR 41 -3.221 -9.998 6.123 313 HD1 TYR 41 HD2 TYR 41 -1.151 -8.214 6.680 314 HD2 TYR 41 HD1 TYR 41 -5.329 -7.509 7.066 315 HE1 TYR 41 HE2 TYR 41 -0.698 -6.481 8.365 316 HE2 TYR 41 HE1 TYR 41 -4.887 -5.773 8.751 317 HH TYR 41 HH TYR 41 -3.128 -5.152 10.335 318 H ALA 42 HN ALA 42 -1.780 -10.564 2.902 319 HA ALA 42 HA ALA 42 -4.312 -11.286 1.580 320 HB1 ALA 42 HB1 ALA 42 -2.156 -11.788 -0.205 321 HB2 ALA 42 HB2 ALA 42 -2.029 -10.121 0.357 322 HB3 ALA 42 HB3 ALA 42 -3.516 -10.682 -0.405 323 H LYS 43 HN LYS 43 -2.807 -12.394 3.836 324 HA LYS 43 HA LYS 43 -2.773 -14.520 4.670 325 HB2 LYS 43 HB2 LYS 43 -3.970 -15.577 2.924 326 HB3 LYS 43 HB1 LYS 43 -2.644 -15.423 1.799 327 HG2 LYS 43 HG2 LYS 43 -2.839 -17.701 2.597 328 HG3 LYS 43 HG1 LYS 43 -1.321 -16.987 3.143 329 HD2 LYS 43 HD2 LYS 43 -2.253 -16.579 5.335 330 HD3 LYS 43 HD1 LYS 43 -3.833 -17.161 4.803 331 HE2 LYS 43 HE2 LYS 43 -3.236 -19.326 4.983 332 HE3 LYS 43 HE1 LYS 43 -1.608 -19.031 4.375 333 HZ1 LYS 43 HZ1 LYS 43 -1.297 -17.908 6.677 334 HZ2 LYS 43 HZ2 LYS 43 -1.209 -19.592 6.546 335 HZ3 LYS 43 HZ3 LYS 43 -2.619 -18.862 7.129 336 HA PRO 44 HA PRO 44 1.728 -15.436 3.987 337 HB2 PRO 44 HB2 PRO 44 2.872 -15.784 1.616 338 HB3 PRO 44 HB1 PRO 44 1.771 -17.003 2.262 339 HG2 PRO 44 HG2 PRO 44 1.248 -14.879 0.223 340 HG3 PRO 44 HG1 PRO 44 0.756 -16.583 0.210 341 HD2 PRO 44 HD2 PRO 44 -0.873 -14.501 0.983 342 HD3 PRO 44 HD1 PRO 44 -1.070 -16.183 1.506 343 H TYR 45 HN TYR 45 0.455 -13.020 1.905 344 HA TYR 45 HA TYR 45 2.949 -11.524 1.857 345 HB2 TYR 45 HB2 TYR 45 0.301 -10.880 0.546 346 HB3 TYR 45 HB1 TYR 45 1.833 -10.061 0.258 347 HD1 TYR 45 HD1 TYR 45 3.738 -12.197 -0.048 348 HD2 TYR 45 HD2 TYR 45 -0.292 -12.005 -1.394 349 HE1 TYR 45 HE1 TYR 45 4.266 -13.800 -1.831 350 HE2 TYR 45 HE2 TYR 45 0.223 -13.613 -3.185 351 HH TYR 45 HH TYR 45 1.845 -15.324 -3.712 352 H PHE 46 HN PHE 46 3.311 -10.437 3.701 353 HA PHE 46 HA PHE 46 1.097 -8.872 4.861 354 HB2 PHE 46 HB2 PHE 46 2.960 -10.637 6.078 355 HB3 PHE 46 HB1 PHE 46 3.366 -9.009 6.614 356 HD1 PHE 46 HD1 PHE 46 0.603 -11.462 6.398 357 HD2 PHE 46 HD2 PHE 46 2.083 -7.923 8.243 358 HE1 PHE 46 HE1 PHE 46 -1.229 -11.555 8.037 359 HE2 PHE 46 HE2 PHE 46 0.253 -8.010 9.885 360 HZ PHE 46 HZ PHE 46 -1.405 -9.828 9.784 361 H LEU 47 HN LEU 47 1.196 -6.803 4.218 362 HA LEU 47 HA LEU 47 3.863 -5.573 3.933 363 HB2 LEU 47 HB2 LEU 47 1.750 -5.769 2.088 364 HB3 LEU 47 HB1 LEU 47 1.795 -4.095 2.598 365 HG LEU 47 HG LEU 47 3.851 -5.664 1.106 366 HD11 LEU 47 HD11 LEU 47 2.286 -4.285 -0.139 367 HD12 LEU 47 HD12 LEU 47 3.914 -3.618 -0.243 368 HD13 LEU 47 HD13 LEU 47 2.727 -2.880 0.831 369 HD21 LEU 47 HD21 LEU 47 5.466 -4.884 2.442 370 HD22 LEU 47 HD22 LEU 47 4.383 -3.743 3.240 371 HD23 LEU 47 HD23 LEU 47 5.131 -3.319 1.701 372 H ARG 48 HN ARG 48 4.267 -4.356 5.658 373 HA ARG 48 HA ARG 48 2.129 -2.580 6.625 374 HB2 ARG 48 HB2 ARG 48 2.640 -4.124 8.376 375 HB3 ARG 48 HB1 ARG 48 4.370 -3.926 8.135 376 HG2 ARG 48 HG2 ARG 48 3.550 -1.372 8.689 377 HG3 ARG 48 HG1 ARG 48 2.508 -2.350 9.722 378 HD2 ARG 48 HD2 ARG 48 5.451 -2.874 9.609 379 HD3 ARG 48 HD1 ARG 48 4.819 -1.565 10.606 380 HE ARG 48 HE ARG 48 3.404 -3.942 11.146 381 HH11 ARG 48 HH11 ARG 48 6.519 -2.469 11.632 382 HH12 ARG 48 HH12 ARG 48 6.845 -3.333 13.098 383 HH21 ARG 48 HH21 ARG 48 3.819 -5.085 13.079 384 HH22 ARG 48 HH22 ARG 48 5.310 -4.822 13.920 385 H LEU 49 HN LEU 49 2.502 -0.582 5.875 386 HA LEU 49 HA LEU 49 5.254 0.449 6.036 387 HB2 LEU 49 HB2 LEU 49 3.320 1.066 3.808 388 HB3 LEU 49 HB1 LEU 49 4.979 1.615 3.941 389 HG LEU 49 HG LEU 49 4.449 -1.321 3.860 390 HD11 LEU 49 HD11 LEU 49 4.893 -0.790 1.254 391 HD12 LEU 49 HD12 LEU 49 3.892 0.592 1.696 392 HD13 LEU 49 HD13 LEU 49 3.293 -1.048 1.950 393 HD21 LEU 49 HD21 LEU 49 6.671 0.556 3.194 394 HD22 LEU 49 HD22 LEU 49 6.600 -1.025 2.417 395 HD23 LEU 49 HD23 LEU 49 6.693 -0.910 4.174 396 H THR 50 HN THR 50 5.504 2.455 6.826 397 HA THR 50 HA THR 50 3.081 3.861 7.714 398 HB THR 50 HB THR 50 5.941 4.120 8.668 399 HG1 THR 50 HG1 THR 50 3.920 2.491 9.405 400 HG21 THR 50 HG21 THR 50 3.913 6.032 8.767 401 HG22 THR 50 HG22 THR 50 5.405 6.015 9.707 402 HG23 THR 50 HG23 THR 50 3.936 5.302 10.371 403 H LEU 51 HN LEU 51 2.458 5.431 6.385 404 HA LEU 51 HA LEU 51 4.143 6.588 4.428 405 HB2 LEU 51 HB2 LEU 51 1.448 7.514 5.410 406 HB3 LEU 51 HB1 LEU 51 2.231 8.030 3.928 407 HG LEU 51 HG LEU 51 1.425 5.178 4.501 408 HD11 LEU 51 HD11 LEU 51 -0.171 6.083 2.468 409 HD12 LEU 51 HD12 LEU 51 -0.122 7.462 3.566 410 HD13 LEU 51 HD13 LEU 51 -0.660 5.887 4.151 411 HD21 LEU 51 HD21 LEU 51 1.987 4.704 2.280 412 HD22 LEU 51 HD22 LEU 51 3.314 5.711 2.861 413 HD23 LEU 51 HD23 LEU 51 2.058 6.411 1.840 414 HA PRO 52 HA PRO 52 6.239 9.770 6.654 415 HB2 PRO 52 HB2 PRO 52 6.068 11.267 4.100 416 HB3 PRO 52 HB1 PRO 52 7.489 10.815 5.047 417 HG2 PRO 52 HG2 PRO 52 6.903 9.566 2.764 418 HG3 PRO 52 HG1 PRO 52 7.575 8.684 4.148 419 HD2 PRO 52 HD2 PRO 52 4.761 8.782 3.145 420 HD3 PRO 52 HD1 PRO 52 5.676 7.416 3.816 421 H GLY 53 HN GLY 53 3.228 10.296 5.006 422 HA2 GLY 53 HA2 GLY 53 2.854 12.756 6.604 423 HA3 GLY 53 HA1 GLY 53 2.243 12.604 4.965 424 H ARG 54 HN ARG 54 0.102 12.465 5.015 425 HA ARG 54 HA ARG 54 -1.121 10.410 6.673 426 HB2 ARG 54 HB2 ARG 54 -2.356 13.142 6.704 427 HB3 ARG 54 HB1 ARG 54 -2.635 11.793 7.794 428 HG2 ARG 54 HG2 ARG 54 -0.207 12.138 8.533 429 HG3 ARG 54 HG1 ARG 54 -0.332 13.702 7.722 430 HD2 ARG 54 HD2 ARG 54 -2.650 13.360 9.318 431 HD3 ARG 54 HD1 ARG 54 -1.251 12.955 10.311 432 HE ARG 54 HE ARG 54 -2.056 15.535 9.576 433 HH11 ARG 54 HH11 ARG 54 0.827 13.594 9.746 434 HH12 ARG 54 HH12 ARG 54 1.877 14.944 10.025 435 HH21 ARG 54 HH21 ARG 54 -0.687 17.323 9.944 436 HH22 ARG 54 HH22 ARG 54 1.015 17.066 10.135 437 H ILE 55 HN ILE 55 -2.996 9.576 5.862 438 HA ILE 55 HA ILE 55 -3.946 10.687 3.300 439 HB ILE 55 HB ILE 55 -3.713 7.790 4.129 440 HG12 ILE 55 HG12 ILE 55 -1.633 8.514 3.298 441 HG13 ILE 55 HG11 ILE 55 -2.409 7.739 1.920 442 HG21 ILE 55 HG21 ILE 55 -5.210 7.161 2.595 443 HG22 ILE 55 HG22 ILE 55 -4.601 8.309 1.404 444 HG23 ILE 55 HG23 ILE 55 -5.761 8.835 2.622 445 HD11 ILE 55 HD11 ILE 55 -3.152 10.046 1.216 446 HD12 ILE 55 HD12 ILE 55 -1.424 9.710 1.106 447 HD13 ILE 55 HD13 ILE 55 -2.053 10.670 2.445 448 H VAL 56 HN VAL 56 -6.032 11.281 3.296 449 HA VAL 56 HA VAL 56 -7.601 11.332 5.555 450 HB VAL 56 HB VAL 56 -7.994 12.676 3.495 451 HG11 VAL 56 HG11 VAL 56 -9.471 11.687 1.763 452 HG12 VAL 56 HG12 VAL 56 -9.231 10.110 2.515 453 HG13 VAL 56 HG13 VAL 56 -7.861 10.969 1.812 454 HG21 VAL 56 HG21 VAL 56 -10.285 11.203 4.774 455 HG22 VAL 56 HG22 VAL 56 -10.514 12.562 3.673 456 HG23 VAL 56 HG23 VAL 56 -9.643 12.791 5.189 457 H GLU 57 HN GLU 57 -9.189 10.128 6.443 458 HA GLU 57 HA GLU 57 -9.538 7.410 5.370 459 HB2 GLU 57 HB2 GLU 57 -8.457 7.187 7.453 460 HB3 GLU 57 HB1 GLU 57 -9.443 8.440 8.190 461 HG2 GLU 57 HG2 GLU 57 -11.212 6.431 7.325 462 HG3 GLU 57 HG1 GLU 57 -9.862 5.620 8.118 463 H ASN 58 HN ASN 58 -11.519 6.770 4.838 464 HA ASN 58 HA ASN 58 -13.907 7.574 6.080 465 HB2 ASN 58 HB2 ASN 58 -12.963 9.601 4.512 466 HB3 ASN 58 HB1 ASN 58 -13.990 8.738 3.371 467 HD21 ASN 58 HD21 ASN 58 -15.678 10.077 3.212 468 HD22 ASN 58 HD22 ASN 58 -16.678 10.567 4.533 469 H GLY 59 HN GLY 59 -12.289 6.423 3.188 470 HA2 GLY 59 HA2 GLY 59 -12.733 4.175 2.425 471 HA3 GLY 59 HA1 GLY 59 -14.409 4.397 2.906 472 H SER 60 HN SER 60 -12.943 7.077 1.334 473 HA SER 60 HA SER 60 -14.567 6.538 -1.039 474 HB2 SER 60 HB2 SER 60 -14.720 8.722 0.316 475 HB3 SER 60 HB1 SER 60 -13.161 9.129 -0.402 476 HG SER 60 HG SER 60 -15.676 8.911 -1.592 477 H GLU 61 HN GLU 61 -11.845 5.391 -0.379 478 HA GLU 61 HA GLU 61 -9.993 6.565 -2.211 479 HB2 GLU 61 HB2 GLU 61 -8.520 4.835 -1.601 480 HB3 GLU 61 HB1 GLU 61 -9.459 5.153 -0.149 481 HG2 GLU 61 HG2 GLU 61 -10.930 3.236 -0.776 482 HG3 GLU 61 HG1 GLU 61 -9.796 2.871 -2.075 483 H GLN 62 HN GLN 62 -8.903 4.550 -3.631 484 HA GLN 62 HA GLN 62 -11.039 3.355 -5.230 485 HB2 GLN 62 HB2 GLN 62 -9.156 5.464 -6.103 486 HB3 GLN 62 HB1 GLN 62 -9.386 4.126 -7.221 487 HG2 GLN 62 HG2 GLN 62 -11.951 4.803 -6.412 488 HG3 GLN 62 HG1 GLN 62 -11.123 6.348 -6.609 489 HE21 GLN 62 HE21 GLN 62 -9.833 6.523 -8.670 490 HE22 GLN 62 HE22 GLN 62 -10.574 5.909 -10.104 491 H GLY 63 HN GLY 63 -10.534 1.399 -6.100 492 HA2 GLY 63 HA2 GLY 63 -7.739 0.489 -5.831 493 HA3 GLY 63 HA1 GLY 63 -9.073 -0.501 -5.255 494 H SER 64 HN SER 64 -7.015 -1.012 -7.327 495 HA SER 64 HA SER 64 -8.802 -2.101 -9.306 496 HB2 SER 64 HB2 SER 64 -7.376 0.376 -9.818 497 HB3 SER 64 HB1 SER 64 -6.919 -0.881 -10.967 498 HG SER 64 HG SER 64 -9.628 -0.414 -10.362 499 H TYR 65 HN TYR 65 -8.106 -4.129 -9.312 500 HA TYR 65 HA TYR 65 -5.205 -4.623 -9.363 501 HB2 TYR 65 HB2 TYR 65 -5.869 -5.783 -7.490 502 HB3 TYR 65 HB1 TYR 65 -7.487 -6.078 -8.113 503 HD1 TYR 65 HD2 TYR 65 -3.960 -7.183 -8.318 504 HD2 TYR 65 HD1 TYR 65 -8.010 -8.088 -9.253 505 HE1 TYR 65 HE2 TYR 65 -3.300 -9.469 -8.941 506 HE2 TYR 65 HE1 TYR 65 -7.362 -10.376 -9.878 507 HH TYR 65 HH TYR 65 -5.050 -11.925 -9.043 508 H ASP 66 HN ASP 66 -4.353 -5.463 -11.146 509 HA ASP 66 HA ASP 66 -6.183 -6.455 -13.218 510 HB2 ASP 66 HB2 ASP 66 -3.718 -4.874 -13.252 511 HB3 ASP 66 HB1 ASP 66 -3.716 -6.189 -14.423 512 H ALA 67 HN ALA 67 -6.381 -8.594 -13.240 513 HA ALA 67 HA ALA 67 -4.547 -10.384 -12.059 514 HB1 ALA 67 HB1 ALA 67 -6.900 -10.953 -12.314 515 HB2 ALA 67 HB2 ALA 67 -5.879 -12.160 -13.096 516 HB3 ALA 67 HB3 ALA 67 -6.722 -10.955 -14.069 517 H ASP 68 HN ASP 68 -5.222 -9.612 -15.457 518 HA ASP 68 HA ASP 68 -3.452 -11.339 -16.678 519 HB2 ASP 68 HB2 ASP 68 -5.054 -9.240 -17.517 520 HB3 ASP 68 HB1 ASP 68 -3.428 -8.707 -17.942 521 H LYS 69 HN LYS 69 -2.791 -8.034 -15.522 522 HA LYS 69 HA LYS 69 0.014 -8.246 -16.122 523 HB2 LYS 69 HB2 LYS 69 -1.427 -6.103 -16.032 524 HB3 LYS 69 HB1 LYS 69 -1.210 -6.196 -14.289 525 HG2 LYS 69 HG2 LYS 69 1.162 -5.982 -14.505 526 HG3 LYS 69 HG1 LYS 69 1.060 -6.115 -16.262 527 HD2 LYS 69 HD2 LYS 69 1.366 -3.796 -15.594 528 HD3 LYS 69 HD1 LYS 69 -0.218 -4.023 -16.338 529 HE2 LYS 69 HE2 LYS 69 -1.008 -4.380 -13.878 530 HE3 LYS 69 HE1 LYS 69 0.483 -3.529 -13.476 531 HZ1 LYS 69 HZ1 LYS 69 -1.767 -2.523 -15.125 532 HZ2 LYS 69 HZ2 LYS 69 -0.278 -1.731 -14.994 533 HZ3 LYS 69 HZ3 LYS 69 -1.250 -1.935 -13.625 534 H GLY 70 HN GLY 70 -2.063 -8.881 -13.425 535 HA2 GLY 70 HA2 GLY 70 -1.651 -10.014 -11.465 536 HA3 GLY 70 HA1 GLY 70 -0.021 -10.314 -12.047 537 H ILE 71 HN ILE 71 -1.750 -7.283 -11.281 538 HA ILE 71 HA ILE 71 0.090 -6.825 -9.061 539 HB ILE 71 HB ILE 71 -0.324 -4.548 -10.947 540 HG12 ILE 71 HG12 ILE 71 0.506 -6.477 -12.310 541 HG13 ILE 71 HG11 ILE 71 1.628 -5.123 -12.239 542 HG21 ILE 71 HG21 ILE 71 2.204 -4.389 -9.988 543 HG22 ILE 71 HG22 ILE 71 1.397 -5.248 -8.674 544 HG23 ILE 71 HG23 ILE 71 0.793 -3.678 -9.204 545 HD11 ILE 71 HD11 ILE 71 2.198 -6.940 -10.110 546 HD12 ILE 71 HD12 ILE 71 3.217 -6.441 -11.460 547 HD13 ILE 71 HD13 ILE 71 2.125 -7.814 -11.640 548 H PHE 72 HN PHE 72 -0.683 -5.413 -7.488 549 HA PHE 72 HA PHE 72 -3.524 -4.706 -7.789 550 HB2 PHE 72 HB2 PHE 72 -3.358 -6.229 -6.003 551 HB3 PHE 72 HB1 PHE 72 -1.888 -5.482 -5.387 552 HD1 PHE 72 HD1 PHE 72 -5.130 -3.941 -6.358 553 HD2 PHE 72 HD2 PHE 72 -2.379 -4.809 -3.230 554 HE1 PHE 72 HE1 PHE 72 -6.473 -2.582 -4.806 555 HE2 PHE 72 HE2 PHE 72 -3.716 -3.454 -1.672 556 HZ PHE 72 HZ PHE 72 -5.766 -2.338 -2.459 557 H THR 73 HN THR 73 -3.874 -2.630 -8.152 558 HA THR 73 HA THR 73 -2.067 -0.644 -6.932 559 HB THR 73 HB THR 73 -3.817 -0.066 -9.309 560 HG1 THR 73 HG1 THR 73 -2.067 -1.889 -9.490 561 HG21 THR 73 HG21 THR 73 -2.345 1.744 -9.691 562 HG22 THR 73 HG22 THR 73 -1.148 1.106 -8.564 563 HG23 THR 73 HG23 THR 73 -2.674 1.749 -7.959 564 H ILE 74 HN ILE 74 -2.929 0.698 -5.465 565 HA ILE 74 HA ILE 74 -5.816 1.228 -5.548 566 HB ILE 74 HB ILE 74 -5.643 -0.562 -3.964 567 HG12 ILE 74 HG12 ILE 74 -5.898 1.185 -1.789 568 HG13 ILE 74 HG11 ILE 74 -6.401 2.127 -3.190 569 HG21 ILE 74 HG21 ILE 74 -3.707 -0.910 -2.935 570 HG22 ILE 74 HG22 ILE 74 -4.111 0.420 -1.848 571 HG23 ILE 74 HG23 ILE 74 -3.158 0.726 -3.299 572 HD11 ILE 74 HD11 ILE 74 -8.383 1.188 -2.584 573 HD12 ILE 74 HD12 ILE 74 -7.629 -0.290 -1.986 574 HD13 ILE 74 HD13 ILE 74 -7.802 -0.028 -3.721 575 H ARG 75 HN ARG 75 -6.135 3.344 -5.548 576 HA ARG 75 HA ARG 75 -4.073 5.150 -4.593 577 HB2 ARG 75 HB2 ARG 75 -6.607 5.477 -6.168 578 HB3 ARG 75 HB1 ARG 75 -5.825 6.876 -5.447 579 HG2 ARG 75 HG2 ARG 75 -4.009 6.754 -6.840 580 HG3 ARG 75 HG1 ARG 75 -4.210 5.025 -7.128 581 HD2 ARG 75 HD2 ARG 75 -5.953 7.238 -8.203 582 HD3 ARG 75 HD1 ARG 75 -4.777 6.297 -9.119 583 HE ARG 75 HE ARG 75 -6.638 4.557 -7.929 584 HH11 ARG 75 HH11 ARG 75 -6.423 6.962 -10.437 585 HH12 ARG 75 HH12 ARG 75 -7.673 6.254 -11.403 586 HH21 ARG 75 HH21 ARG 75 -8.291 3.618 -9.186 587 HH22 ARG 75 HH22 ARG 75 -8.739 4.352 -10.691 588 H LEU 76 HN LEU 76 -4.364 6.746 -3.036 589 HA LEU 76 HA LEU 76 -6.739 6.501 -1.333 590 HB2 LEU 76 HB2 LEU 76 -3.908 6.640 -0.299 591 HB3 LEU 76 HB1 LEU 76 -5.366 6.530 0.661 592 HG LEU 76 HG LEU 76 -4.212 4.390 -1.120 593 HD11 LEU 76 HD11 LEU 76 -4.536 3.298 1.329 594 HD12 LEU 76 HD12 LEU 76 -4.166 4.966 1.764 595 HD13 LEU 76 HD13 LEU 76 -3.040 4.044 0.769 596 HD21 LEU 76 HD21 LEU 76 -6.266 3.281 0.361 597 HD22 LEU 76 HD22 LEU 76 -6.298 3.650 -1.364 598 HD23 LEU 76 HD23 LEU 76 -6.929 4.815 -0.200 599 HA PRO 77 HA PRO 77 -6.606 10.936 -1.936 600 HB2 PRO 77 HB2 PRO 77 -8.522 11.494 -0.032 601 HB3 PRO 77 HB1 PRO 77 -8.873 11.026 -1.698 602 HG2 PRO 77 HG2 PRO 77 -8.885 9.360 0.781 603 HG3 PRO 77 HG1 PRO 77 -9.994 9.326 -0.601 604 HD2 PRO 77 HD2 PRO 77 -8.049 7.490 -0.279 605 HD3 PRO 77 HD1 PRO 77 -8.554 8.054 -1.884 606 H LYS 78 HN LYS 78 -5.703 12.693 -0.873 607 HA LYS 78 HA LYS 78 -4.264 12.034 1.571 608 HB2 LYS 78 HB2 LYS 78 -3.993 14.083 -0.569 609 HB3 LYS 78 HB1 LYS 78 -3.383 14.489 1.031 610 HG2 LYS 78 HG2 LYS 78 -1.811 12.761 1.001 611 HG3 LYS 78 HG1 LYS 78 -2.619 11.933 -0.332 612 HD2 LYS 78 HD2 LYS 78 -1.907 13.569 -1.895 613 HD3 LYS 78 HD1 LYS 78 -1.377 14.661 -0.613 614 HE2 LYS 78 HE2 LYS 78 0.384 13.266 -1.912 615 HE3 LYS 78 HE1 LYS 78 0.519 13.419 -0.162 616 HZ1 LYS 78 HZ1 LYS 78 -0.543 11.106 -1.684 617 HZ2 LYS 78 HZ2 LYS 78 -0.681 11.259 -0.006 618 HZ3 LYS 78 HZ3 LYS 78 0.847 11.152 -0.721 619 H GLU 79 HN GLU 79 -4.200 13.479 3.383 620 HA GLU 79 HA GLU 79 -6.825 14.602 3.956 621 HB2 GLU 79 HB2 GLU 79 -6.050 13.225 5.700 622 HB3 GLU 79 HB1 GLU 79 -4.430 13.903 5.635 623 HG2 GLU 79 HG2 GLU 79 -5.024 15.789 6.812 624 HG3 GLU 79 HG1 GLU 79 -6.728 15.650 6.382 625 H THR 80 HN THR 80 -3.730 15.638 3.007 626 HA THR 80 HA THR 80 -4.506 18.432 3.473 627 HB THR 80 HB THR 80 -1.644 17.555 3.782 628 HG1 THR 80 HG1 THR 80 -2.869 18.185 6.133 629 HG21 THR 80 HG21 THR 80 -3.221 20.038 4.248 630 HG22 THR 80 HG22 THR 80 -1.621 19.834 3.536 631 HG23 THR 80 HG23 THR 80 -1.830 19.714 5.282 632 HA PRO 81 HA PRO 81 -3.917 17.929 -1.041 633 HB2 PRO 81 HB2 PRO 81 -4.577 20.822 -0.643 634 HB3 PRO 81 HB1 PRO 81 -5.166 19.693 -1.871 635 HG2 PRO 81 HG2 PRO 81 -6.676 20.350 0.233 636 HG3 PRO 81 HG1 PRO 81 -6.684 18.706 -0.432 637 HD2 PRO 81 HD2 PRO 81 -5.490 19.720 2.084 638 HD3 PRO 81 HD1 PRO 81 -6.076 18.094 1.684 639 H GLY 82 HN GLY 82 -2.196 18.415 -2.328 640 HA2 GLY 82 HA2 GLY 82 -0.273 19.484 -3.055 641 HA3 GLY 82 HA1 GLY 82 -0.444 20.630 -1.736 642 H GLN 83 HN GLN 83 -0.662 17.641 -0.356 643 HA GLN 83 HA GLN 83 2.056 17.818 0.626 644 HB2 GLN 83 HB2 GLN 83 0.567 17.334 2.349 645 HB3 GLN 83 HB1 GLN 83 -0.366 16.216 1.364 646 HG2 GLN 83 HG2 GLN 83 0.804 14.949 2.984 647 HG3 GLN 83 HG1 GLN 83 1.576 14.657 1.427 648 HE21 GLN 83 HE21 GLN 83 1.963 15.824 4.616 649 HE22 GLN 83 HE22 GLN 83 3.635 16.245 4.504 650 H HIS 84 HN HIS 84 3.712 16.462 0.170 651 HA HIS 84 HA HIS 84 3.157 14.183 -1.611 652 HB2 HIS 84 HB2 HIS 84 4.105 15.804 -3.050 653 HB3 HIS 84 HB1 HIS 84 5.303 16.284 -1.851 654 HD1 HIS 84 HD1 HIS 84 7.453 15.715 -2.989 655 HD2 HIS 84 HD2 HIS 84 4.703 12.605 -3.155 656 HE1 HIS 84 HE1 HIS 84 8.698 13.769 -3.983 657 HE2 HIS 84 HE2 HIS 84 7.044 11.868 -3.968 658 H PHE 85 HN PHE 85 3.843 12.311 -0.816 659 HA PHE 85 HA PHE 85 5.480 12.227 1.543 660 HB2 PHE 85 HB2 PHE 85 4.329 10.024 -0.179 661 HB3 PHE 85 HB1 PHE 85 5.144 9.776 1.357 662 HD1 PHE 85 HD2 PHE 85 3.625 12.682 2.026 663 HD2 PHE 85 HD1 PHE 85 2.561 8.656 1.146 664 HE1 PHE 85 HE2 PHE 85 1.493 12.992 3.210 665 HE2 PHE 85 HE1 PHE 85 0.424 8.959 2.326 666 HZ PHE 85 HZ PHE 85 -0.112 11.128 3.361 667 H GLU 86 HN GLU 86 7.508 12.981 0.941 668 HA GLU 86 HA GLU 86 8.922 12.023 -1.322 669 HB2 GLU 86 HB2 GLU 86 9.433 13.829 0.928 670 HB3 GLU 86 HB1 GLU 86 10.864 12.975 0.368 671 HG2 GLU 86 HG2 GLU 86 9.707 13.812 -1.972 672 HG3 GLU 86 HG1 GLU 86 9.375 15.146 -0.869 673 H GLY 87 HN GLY 87 11.168 11.087 -1.046 674 HA2 GLY 87 HA2 GLY 87 12.195 9.010 -0.778 675 HA3 GLY 87 HA1 GLY 87 12.262 9.614 0.868 676 H LEU 88 HN LEU 88 9.424 8.475 -0.954 677 HA LEU 88 HA LEU 88 8.425 6.980 1.201 678 HB2 LEU 88 HB2 LEU 88 7.738 7.404 -1.584 679 HB3 LEU 88 HB1 LEU 88 7.380 5.772 -1.062 680 HG LEU 88 HG LEU 88 6.390 8.256 0.339 681 HD11 LEU 88 HD11 LEU 88 4.170 7.200 -0.651 682 HD12 LEU 88 HD12 LEU 88 5.290 6.653 -1.899 683 HD13 LEU 88 HD13 LEU 88 5.132 8.374 -1.550 684 HD21 LEU 88 HD21 LEU 88 5.833 6.873 1.982 685 HD22 LEU 88 HD22 LEU 88 6.501 5.506 1.090 686 HD23 LEU 88 HD23 LEU 88 4.817 5.972 0.857 687 H ASN 89 HN ASN 89 9.846 5.687 -1.853 688 HA ASN 89 HA ASN 89 10.178 3.099 -0.657 689 HB2 ASN 89 HB2 ASN 89 9.607 3.305 -3.021 690 HB3 ASN 89 HB1 ASN 89 11.094 4.199 -3.321 691 HD21 ASN 89 HD21 ASN 89 12.477 2.995 -4.372 692 HD22 ASN 89 HD22 ASN 89 12.799 1.320 -4.091 693 H MET 90 HN MET 90 11.745 5.648 0.182 694 HA MET 90 HA MET 90 14.401 4.387 0.148 695 HB2 MET 90 HB2 MET 90 15.403 6.369 -0.284 696 HB3 MET 90 HB1 MET 90 13.821 6.846 -0.879 697 HG2 MET 90 HG2 MET 90 14.248 8.600 0.489 698 HG3 MET 90 HG1 MET 90 13.469 7.525 1.649 699 HE1 MET 90 HE1 MET 90 15.378 9.998 1.565 700 HE2 MET 90 HE2 MET 90 17.044 9.741 2.086 701 HE3 MET 90 HE3 MET 90 15.739 9.747 3.273 702 H LEU 91 HN LEU 91 11.853 5.834 1.972 703 HA LEU 91 HA LEU 91 12.910 6.387 4.421 704 HB2 LEU 91 HB2 LEU 91 10.763 6.402 5.151 705 HB3 LEU 91 HB1 LEU 91 10.424 6.285 3.431 706 HG LEU 91 HG LEU 91 10.347 4.066 5.471 707 HD11 LEU 91 HD11 LEU 91 8.016 3.887 4.356 708 HD12 LEU 91 HD12 LEU 91 8.332 5.541 3.832 709 HD13 LEU 91 HD13 LEU 91 8.310 5.150 5.552 710 HD21 LEU 91 HD21 LEU 91 10.957 3.927 2.660 711 HD22 LEU 91 HD22 LEU 91 9.438 3.103 3.014 712 HD23 LEU 91 HD23 LEU 91 10.912 2.640 3.864 713 H THR 92 HN THR 92 12.323 4.902 6.465 714 HA THR 92 HA THR 92 13.123 2.137 5.976 715 HB THR 92 HB THR 92 14.690 2.371 8.022 716 HG1 THR 92 HG1 THR 92 15.711 4.565 7.899 717 HG21 THR 92 HG21 THR 92 15.124 2.429 5.294 718 HG22 THR 92 HG22 THR 92 16.349 2.180 6.537 719 HG23 THR 92 HG23 THR 92 16.065 3.796 5.893 720 H ALA 93 HN ALA 93 12.875 0.792 7.960 721 HA ALA 93 HA ALA 93 10.364 1.389 9.211 722 HB1 ALA 93 HB1 ALA 93 12.190 -0.936 9.126 723 HB2 ALA 93 HB2 ALA 93 10.442 -0.852 8.906 724 HB3 ALA 93 HB3 ALA 93 11.130 -0.802 10.529 725 H LEU 94 HN LEU 94 10.018 2.387 11.075 726 HA LEU 94 HA LEU 94 12.284 2.713 12.929 727 HB2 LEU 94 HB2 LEU 94 10.942 4.732 13.740 728 HB3 LEU 94 HB1 LEU 94 11.758 4.864 12.194 729 HG LEU 94 HG LEU 94 8.989 3.917 11.993 730 HD11 LEU 94 HD11 LEU 94 7.855 5.739 12.758 731 HD12 LEU 94 HD12 LEU 94 9.236 6.819 12.566 732 HD13 LEU 94 HD13 LEU 94 9.172 5.703 13.931 733 HD21 LEU 94 HD21 LEU 94 10.347 6.268 10.694 734 HD22 LEU 94 HD22 LEU 94 8.944 5.365 10.119 735 HD23 LEU 94 HD23 LEU 94 10.537 4.608 10.126 736 H LEU 95 HN LEU 95 12.045 2.127 15.025 737 HA LEU 95 HA LEU 95 9.568 0.741 15.723 738 HB2 LEU 95 HB2 LEU 95 12.376 0.671 16.755 739 HB3 LEU 95 HB1 LEU 95 11.064 0.099 17.769 740 HG LEU 95 HG LEU 95 10.587 -1.704 16.364 741 HD11 LEU 95 HD11 LEU 95 12.367 -0.672 14.184 742 HD12 LEU 95 HD12 LEU 95 10.671 -0.200 14.288 743 HD13 LEU 95 HD13 LEU 95 11.104 -1.900 14.098 744 HD21 LEU 95 HD21 LEU 95 13.061 -2.451 15.647 745 HD22 LEU 95 HD22 LEU 95 12.472 -2.518 17.307 746 HD23 LEU 95 HD23 LEU 95 13.458 -1.156 16.776 747 H ALA 96 HN ALA 96 8.069 1.954 16.666 748 HA ALA 96 HA ALA 96 7.060 3.536 17.960 749 HB1 ALA 96 HB1 ALA 96 7.331 3.136 20.158 750 HB2 ALA 96 HB2 ALA 96 9.078 3.363 20.093 751 HB3 ALA 96 HB3 ALA 96 8.369 1.829 19.589 Start of MODEL 10 1 H MET 1 H MET 1 9.289 -17.203 0.938 2 HA MET 1 HA MET 1 7.873 -16.017 3.180 3 HB2 MET 1 HB2 MET 1 10.444 -17.602 3.351 4 HB3 MET 1 HB1 MET 1 9.842 -16.540 4.616 5 HG2 MET 1 HG2 MET 1 7.843 -18.456 3.784 6 HG3 MET 1 HG1 MET 1 9.326 -19.243 4.322 7 HE1 MET 1 HE1 MET 1 5.998 -17.719 5.446 8 HE2 MET 1 HE2 MET 1 6.968 -16.263 5.227 9 HE3 MET 1 HE3 MET 1 6.436 -16.732 6.841 10 H LEU 2 HN LEU 2 8.751 -15.151 0.532 11 HA LEU 2 HA LEU 2 10.787 -13.183 1.350 12 HB2 LEU 2 HB2 LEU 2 11.523 -13.127 -1.013 13 HB3 LEU 2 HB1 LEU 2 11.797 -14.671 -0.232 14 HG LEU 2 HG LEU 2 9.349 -15.069 -1.380 15 HD11 LEU 2 HD11 LEU 2 9.282 -13.035 -2.594 16 HD12 LEU 2 HD12 LEU 2 9.682 -14.304 -3.751 17 HD13 LEU 2 HD13 LEU 2 10.944 -13.230 -3.146 18 HD21 LEU 2 HD21 LEU 2 11.399 -15.757 -3.256 19 HD22 LEU 2 HD22 LEU 2 10.489 -16.802 -2.166 20 HD23 LEU 2 HD23 LEU 2 11.977 -16.034 -1.614 21 H THR 3 HN THR 3 10.303 -11.089 1.047 22 HA THR 3 HA THR 3 7.665 -10.315 0.436 23 HB THR 3 HB THR 3 9.127 -8.986 1.903 24 HG1 THR 3 HG1 THR 3 7.745 -7.497 1.305 25 HG21 THR 3 HG21 THR 3 10.944 -7.697 1.104 26 HG22 THR 3 HG22 THR 3 10.551 -8.054 -0.577 27 HG23 THR 3 HG23 THR 3 11.183 -9.325 0.470 28 HA PRO 4 HA PRO 4 7.853 -10.082 -3.981 29 HB2 PRO 4 HB2 PRO 4 5.669 -8.558 -4.427 30 HB3 PRO 4 HB1 PRO 4 5.556 -10.236 -3.885 31 HG2 PRO 4 HG2 PRO 4 5.326 -7.711 -2.294 32 HG3 PRO 4 HG1 PRO 4 4.346 -9.185 -2.202 33 HD2 PRO 4 HD2 PRO 4 6.361 -8.618 -0.458 34 HD3 PRO 4 HD1 PRO 4 5.882 -10.272 -0.885 35 H ALA 5 HN ALA 5 7.790 -8.419 -5.761 36 HA ALA 5 HA ALA 5 9.499 -6.203 -5.014 37 HB1 ALA 5 HB1 ALA 5 10.195 -7.379 -6.952 38 HB2 ALA 5 HB2 ALA 5 9.598 -5.812 -7.495 39 HB3 ALA 5 HB3 ALA 5 8.597 -7.251 -7.686 40 H PHE 6 HN PHE 6 7.518 -5.364 -3.766 41 HA PHE 6 HA PHE 6 5.484 -4.062 -5.324 42 HB2 PHE 6 HB2 PHE 6 4.620 -3.316 -3.211 43 HB3 PHE 6 HB1 PHE 6 5.123 -4.989 -3.023 44 HD1 PHE 6 HD1 PHE 6 7.311 -5.477 -1.893 45 HD2 PHE 6 HD2 PHE 6 5.532 -1.610 -1.887 46 HE1 PHE 6 HE1 PHE 6 8.723 -4.833 0.017 47 HE2 PHE 6 HE2 PHE 6 6.941 -0.960 0.023 48 HZ PHE 6 HZ PHE 6 8.539 -2.573 0.976 49 H ASP 7 HN ASP 7 5.067 -1.695 -5.047 50 HA ASP 7 HA ASP 7 7.399 -0.050 -4.517 51 HB2 ASP 7 HB2 ASP 7 6.973 -0.893 -7.114 52 HB3 ASP 7 HB1 ASP 7 6.208 0.694 -7.082 53 H LEU 8 HN LEU 8 6.910 2.211 -4.339 54 HA LEU 8 HA LEU 8 4.039 2.720 -3.935 55 HB2 LEU 8 HB2 LEU 8 6.202 4.259 -2.548 56 HB3 LEU 8 HB1 LEU 8 4.526 4.063 -2.085 57 HG LEU 8 HG LEU 8 6.532 1.814 -2.012 58 HD11 LEU 8 HD11 LEU 8 5.826 2.602 0.587 59 HD12 LEU 8 HD12 LEU 8 6.271 4.075 -0.273 60 HD13 LEU 8 HD13 LEU 8 7.405 2.727 -0.190 61 HD21 LEU 8 HD21 LEU 8 4.628 0.646 -1.826 62 HD22 LEU 8 HD22 LEU 8 3.667 2.084 -1.482 63 HD23 LEU 8 HD23 LEU 8 4.570 1.296 -0.189 64 H SER 9 HN SER 9 3.124 4.443 -4.849 65 HA SER 9 HA SER 9 4.790 6.520 -6.061 66 HB2 SER 9 HB2 SER 9 3.368 4.514 -7.541 67 HB3 SER 9 HB1 SER 9 2.597 6.076 -7.820 68 HG SER 9 HG SER 9 5.282 6.312 -7.904 69 H GLN 10 HN GLN 10 3.979 8.524 -5.641 70 HA GLN 10 HA GLN 10 1.159 8.669 -4.827 71 HB2 GLN 10 HB2 GLN 10 1.610 9.679 -2.843 72 HB3 GLN 10 HB1 GLN 10 3.087 8.740 -2.997 73 HG2 GLN 10 HG2 GLN 10 4.052 10.711 -2.529 74 HG3 GLN 10 HG1 GLN 10 3.849 10.978 -4.260 75 HE21 GLN 10 HE21 GLN 10 1.718 11.156 -1.424 76 HE22 GLN 10 HE22 GLN 10 1.135 12.750 -1.750 77 H ASP 11 HN ASP 11 0.045 10.484 -5.283 78 HA ASP 11 HA ASP 11 1.311 12.369 -7.150 79 HB2 ASP 11 HB2 ASP 11 -1.230 10.956 -7.163 80 HB3 ASP 11 HB1 ASP 11 -1.460 12.695 -7.319 81 HA PRO 12 HA PRO 12 0.713 15.795 -4.467 82 HB2 PRO 12 HB2 PRO 12 -0.382 17.681 -6.126 83 HB3 PRO 12 HB1 PRO 12 1.328 17.244 -6.106 84 HG2 PRO 12 HG2 PRO 12 -0.837 16.335 -7.958 85 HG3 PRO 12 HG1 PRO 12 0.835 16.794 -8.329 86 HD2 PRO 12 HD2 PRO 12 0.069 14.219 -8.182 87 HD3 PRO 12 HD1 PRO 12 1.680 14.748 -7.653 88 H ASP 13 HN ASP 13 -1.954 14.132 -5.631 89 HA ASP 13 HA ASP 13 -3.706 15.578 -3.786 90 HB2 ASP 13 HB2 ASP 13 -4.566 14.616 -6.514 91 HB3 ASP 13 HB1 ASP 13 -5.599 15.365 -5.308 92 H PHE 14 HN PHE 14 -2.167 12.875 -4.287 93 HA PHE 14 HA PHE 14 -3.875 11.260 -2.707 94 HB2 PHE 14 HB2 PHE 14 -3.649 10.448 -5.618 95 HB3 PHE 14 HB1 PHE 14 -4.333 9.468 -4.339 96 HD1 PHE 14 HD2 PHE 14 -6.489 10.026 -3.350 97 HD2 PHE 14 HD1 PHE 14 -4.892 12.226 -6.623 98 HE1 PHE 14 HE2 PHE 14 -8.716 10.970 -3.796 99 HE2 PHE 14 HE1 PHE 14 -7.117 13.174 -7.076 100 HZ PHE 14 HZ PHE 14 -9.033 12.547 -5.662 101 H LEU 15 HN LEU 15 -3.078 8.951 -2.664 102 HA LEU 15 HA LEU 15 -0.231 8.688 -3.312 103 HB2 LEU 15 HB2 LEU 15 -0.083 9.259 -1.031 104 HB3 LEU 15 HB1 LEU 15 -1.513 8.336 -0.614 105 HG LEU 15 HG LEU 15 0.716 7.381 0.135 106 HD11 LEU 15 HD11 LEU 15 -1.602 6.172 -0.455 107 HD12 LEU 15 HD12 LEU 15 -0.185 5.310 0.145 108 HD13 LEU 15 HD13 LEU 15 -0.535 5.334 -1.583 109 HD21 LEU 15 HD21 LEU 15 1.224 7.629 -2.670 110 HD22 LEU 15 HD22 LEU 15 1.331 5.934 -2.198 111 HD23 LEU 15 HD23 LEU 15 2.321 7.141 -1.377 112 H THR 16 HN THR 16 -0.069 6.887 -4.582 113 HA THR 16 HA THR 16 -2.080 4.793 -4.185 114 HB THR 16 HB THR 16 -0.292 5.155 -6.590 115 HG1 THR 16 HG1 THR 16 -2.882 6.213 -6.073 116 HG21 THR 16 HG21 THR 16 -1.429 2.934 -6.139 117 HG22 THR 16 HG22 THR 16 -1.766 3.679 -7.702 118 HG23 THR 16 HG23 THR 16 -2.957 3.771 -6.405 119 H ILE 17 HN ILE 17 -1.455 2.629 -4.105 120 HA ILE 17 HA ILE 17 1.417 2.134 -3.667 121 HB ILE 17 HB ILE 17 -0.791 0.729 -2.167 122 HG12 ILE 17 HG12 ILE 17 0.837 3.153 -1.381 123 HG13 ILE 17 HG11 ILE 17 -0.915 3.030 -1.489 124 HG21 ILE 17 HG21 ILE 17 1.327 0.432 -0.614 125 HG22 ILE 17 HG22 ILE 17 2.179 0.661 -2.142 126 HG23 ILE 17 HG23 ILE 17 1.015 -0.651 -1.971 127 HD11 ILE 17 HD11 ILE 17 -0.891 1.444 0.390 128 HD12 ILE 17 HD12 ILE 17 -0.221 3.020 0.814 129 HD13 ILE 17 HD13 ILE 17 0.855 1.655 0.518 130 H ALA 18 HN ALA 18 2.157 0.006 -4.242 131 HA ALA 18 HA ALA 18 0.262 -1.554 -5.859 132 HB1 ALA 18 HB1 ALA 18 3.009 -0.691 -6.746 133 HB2 ALA 18 HB2 ALA 18 1.461 -0.252 -7.470 134 HB3 ALA 18 HB3 ALA 18 2.038 -1.916 -7.562 135 H ILE 19 HN ILE 19 0.136 -3.490 -4.981 136 HA ILE 19 HA ILE 19 2.584 -4.709 -3.879 137 HB ILE 19 HB ILE 19 -0.177 -5.634 -3.156 138 HG12 ILE 19 HG12 ILE 19 1.325 -3.623 -1.499 139 HG13 ILE 19 HG11 ILE 19 0.204 -3.102 -2.753 140 HG21 ILE 19 HG21 ILE 19 1.389 -5.935 -0.969 141 HG22 ILE 19 HG22 ILE 19 2.582 -6.101 -2.258 142 HG23 ILE 19 HG23 ILE 19 1.175 -7.164 -2.214 143 HD11 ILE 19 HD11 ILE 19 -1.555 -3.503 -1.465 144 HD12 ILE 19 HD12 ILE 19 -0.414 -3.674 -0.131 145 HD13 ILE 19 HD13 ILE 19 -0.961 -5.101 -1.014 146 H ARG 20 HN ARG 20 3.347 -6.440 -4.907 147 HA ARG 20 HA ARG 20 1.793 -7.608 -7.059 148 HB2 ARG 20 HB2 ARG 20 4.496 -7.109 -6.679 149 HB3 ARG 20 HB1 ARG 20 4.367 -8.856 -6.526 150 HG2 ARG 20 HG2 ARG 20 3.770 -9.146 -8.701 151 HG3 ARG 20 HG1 ARG 20 2.986 -7.569 -8.812 152 HD2 ARG 20 HD2 ARG 20 4.966 -6.463 -9.215 153 HD3 ARG 20 HD1 ARG 20 5.942 -7.708 -8.435 154 HE ARG 20 HE ARG 20 5.157 -7.604 -11.185 155 HH11 ARG 20 HH11 ARG 20 6.007 -9.729 -8.560 156 HH12 ARG 20 HH12 ARG 20 6.546 -11.006 -9.598 157 HH21 ARG 20 HH21 ARG 20 5.859 -9.282 -12.561 158 HH22 ARG 20 HH22 ARG 20 6.464 -10.752 -11.872 159 H VAL 21 HN VAL 21 0.580 -9.340 -6.828 160 HA VAL 21 HA VAL 21 1.390 -11.455 -4.980 161 HB VAL 21 HB VAL 21 -0.902 -11.677 -4.095 162 HG11 VAL 21 HG11 VAL 21 1.039 -9.782 -3.390 163 HG12 VAL 21 HG12 VAL 21 -0.226 -10.460 -2.365 164 HG13 VAL 21 HG13 VAL 21 -0.516 -8.961 -3.248 165 HG21 VAL 21 HG21 VAL 21 -2.256 -9.429 -4.373 166 HG22 VAL 21 HG22 VAL 21 -2.396 -10.736 -5.549 167 HG23 VAL 21 HG23 VAL 21 -1.360 -9.349 -5.890 168 H SER 22 HN SER 22 1.090 -13.434 -5.824 169 HA SER 22 HA SER 22 -0.605 -13.644 -8.225 170 HB2 SER 22 HB2 SER 22 1.088 -15.678 -8.614 171 HB3 SER 22 HB1 SER 22 1.444 -14.040 -9.163 172 HG SER 22 HG SER 22 3.029 -15.344 -7.756 173 H TYR 23 HN TYR 23 1.005 -16.042 -6.138 174 HA TYR 23 HA TYR 23 -0.899 -18.014 -6.320 175 HB2 TYR 23 HB2 TYR 23 1.062 -17.296 -4.163 176 HB3 TYR 23 HB1 TYR 23 -0.051 -18.640 -3.935 177 HD1 TYR 23 HD1 TYR 23 1.808 -17.514 -6.970 178 HD2 TYR 23 HD2 TYR 23 1.216 -20.579 -4.081 179 HE1 TYR 23 HE1 TYR 23 3.341 -18.976 -8.218 180 HE2 TYR 23 HE2 TYR 23 2.748 -22.051 -5.320 181 HH TYR 23 HH TYR 23 4.865 -21.019 -7.576 182 H ALA 24 HN ALA 24 -0.662 -15.563 -3.753 183 HA ALA 24 HA ALA 24 -2.156 -14.909 -2.144 184 HB1 ALA 24 HB1 ALA 24 -4.112 -13.915 -3.000 185 HB2 ALA 24 HB2 ALA 24 -4.185 -15.040 -4.356 186 HB3 ALA 24 HB3 ALA 24 -2.921 -13.811 -4.298 187 H ARG 25 HN ARG 25 -2.531 -16.399 -0.603 188 HA ARG 25 HA ARG 25 -4.094 -18.770 -1.133 189 HB2 ARG 25 HB2 ARG 25 -2.472 -17.726 1.117 190 HB3 ARG 25 HB1 ARG 25 -3.794 -18.804 1.543 191 HG2 ARG 25 HG2 ARG 25 -1.561 -19.896 1.199 192 HG3 ARG 25 HG1 ARG 25 -2.896 -20.572 0.262 193 HD2 ARG 25 HD2 ARG 25 -1.587 -18.436 -1.172 194 HD3 ARG 25 HD1 ARG 25 -0.434 -19.686 -0.705 195 HE ARG 25 HE ARG 25 -2.267 -19.870 -2.794 196 HH11 ARG 25 HH11 ARG 25 -1.214 -21.751 -0.058 197 HH12 ARG 25 HH12 ARG 25 -1.584 -23.272 -0.797 198 HH21 ARG 25 HH21 ARG 25 -2.755 -21.870 -3.779 199 HH22 ARG 25 HH22 ARG 25 -2.460 -23.340 -2.912 200 H VAL 26 HN VAL 26 -4.999 -15.695 -0.772 201 HA VAL 26 HA VAL 26 -7.461 -16.413 0.681 202 HB VAL 26 HB VAL 26 -7.628 -14.060 1.408 203 HG11 VAL 26 HG11 VAL 26 -5.426 -14.190 2.878 204 HG12 VAL 26 HG12 VAL 26 -5.388 -15.827 2.224 205 HG13 VAL 26 HG13 VAL 26 -6.790 -15.277 3.142 206 HG21 VAL 26 HG21 VAL 26 -5.718 -13.597 -0.541 207 HG22 VAL 26 HG22 VAL 26 -4.842 -13.377 0.974 208 HG23 VAL 26 HG23 VAL 26 -6.299 -12.436 0.653 209 H SER 27 HN SER 27 -9.323 -16.088 -0.379 210 HA SER 27 HA SER 27 -9.417 -15.470 -3.093 211 HB2 SER 27 HB2 SER 27 -11.649 -15.198 -1.060 212 HB3 SER 27 HB1 SER 27 -11.854 -15.310 -2.808 213 HG SER 27 HG SER 27 -11.594 -17.394 -2.693 214 H GLU 28 HN GLU 28 -9.926 -13.437 -0.255 215 HA GLU 28 HA GLU 28 -9.660 -11.074 -1.982 216 HB2 GLU 28 HB2 GLU 28 -12.029 -11.453 -1.156 217 HB3 GLU 28 HB1 GLU 28 -11.420 -11.179 0.471 218 HG2 GLU 28 HG2 GLU 28 -11.093 -8.947 0.127 219 HG3 GLU 28 HG1 GLU 28 -10.852 -9.136 -1.609 220 H PHE 29 HN PHE 29 -8.408 -9.413 -1.154 221 HA PHE 29 HA PHE 29 -6.692 -10.186 1.064 222 HB2 PHE 29 HB2 PHE 29 -6.355 -7.649 -0.491 223 HB3 PHE 29 HB1 PHE 29 -5.128 -8.680 0.239 224 HD1 PHE 29 HD1 PHE 29 -6.451 -11.267 -0.942 225 HD2 PHE 29 HD2 PHE 29 -5.176 -7.564 -2.607 226 HE1 PHE 29 HE1 PHE 29 -6.091 -12.374 -3.111 227 HE2 PHE 29 HE2 PHE 29 -4.812 -8.662 -4.779 228 HZ PHE 29 HZ PHE 29 -5.270 -11.070 -5.034 229 H ASP 30 HN ASP 30 -5.992 -8.433 2.594 230 HA ASP 30 HA ASP 30 -8.320 -6.818 3.414 231 HB2 ASP 30 HB2 ASP 30 -6.575 -8.652 4.929 232 HB3 ASP 30 HB1 ASP 30 -6.887 -7.109 5.717 233 H VAL 31 HN VAL 31 -7.988 -4.691 3.353 234 HA VAL 31 HA VAL 31 -5.214 -3.714 3.561 235 HB VAL 31 HB VAL 31 -7.460 -2.432 1.999 236 HG11 VAL 31 HG11 VAL 31 -5.112 -1.394 1.075 237 HG12 VAL 31 HG12 VAL 31 -4.778 -1.571 2.798 238 HG13 VAL 31 HG13 VAL 31 -6.164 -0.621 2.261 239 HG21 VAL 31 HG21 VAL 31 -5.777 -3.083 0.087 240 HG22 VAL 31 HG22 VAL 31 -6.973 -4.238 0.672 241 HG23 VAL 31 HG23 VAL 31 -5.303 -4.338 1.230 242 H TYR 32 HN TYR 32 -4.853 -2.649 5.374 243 HA TYR 32 HA TYR 32 -7.066 -1.157 6.620 244 HB2 TYR 32 HB2 TYR 32 -4.738 -2.658 7.761 245 HB3 TYR 32 HB1 TYR 32 -5.435 -1.323 8.671 246 HD1 TYR 32 HD2 TYR 32 -6.066 -4.681 7.304 247 HD2 TYR 32 HD1 TYR 32 -7.577 -1.531 9.732 248 HE1 TYR 32 HE2 TYR 32 -7.795 -6.193 8.179 249 HE2 TYR 32 HE1 TYR 32 -9.309 -3.036 10.616 250 HH TYR 32 HH TYR 32 -9.243 -6.107 10.628 251 H PHE 33 HN PHE 33 -6.922 0.967 6.278 252 HA PHE 33 HA PHE 33 -4.255 2.209 6.377 253 HB2 PHE 33 HB2 PHE 33 -4.884 3.762 4.642 254 HB3 PHE 33 HB1 PHE 33 -5.155 2.126 4.055 255 HD1 PHE 33 HD2 PHE 33 -7.621 1.226 4.542 256 HD2 PHE 33 HD1 PHE 33 -6.505 5.321 4.218 257 HE1 PHE 33 HE2 PHE 33 -9.942 1.809 3.972 258 HE2 PHE 33 HE1 PHE 33 -8.825 5.912 3.648 259 HZ PHE 33 HZ PHE 33 -10.546 4.156 3.524 260 H GLU 34 HN GLU 34 -4.110 3.443 8.118 261 HA GLU 34 HA GLU 34 -6.408 5.121 8.856 262 HB2 GLU 34 HB2 GLU 34 -4.978 3.119 10.515 263 HB3 GLU 34 HB1 GLU 34 -5.391 4.639 11.294 264 HG2 GLU 34 HG2 GLU 34 -7.754 4.182 10.305 265 HG3 GLU 34 HG1 GLU 34 -7.179 2.519 10.211 266 H GLY 35 HN GLY 35 -5.754 7.166 8.601 267 HA2 GLY 35 HA2 GLY 35 -4.507 9.070 8.780 268 HA3 GLY 35 HA1 GLY 35 -3.694 8.294 10.131 269 H SER 36 HN SER 36 -2.024 6.616 9.462 270 HA SER 36 HA SER 36 -0.764 7.075 6.899 271 HB2 SER 36 HB2 SER 36 1.321 7.390 8.840 272 HB3 SER 36 HB1 SER 36 0.819 8.514 7.576 273 HG SER 36 HG SER 36 0.272 8.530 10.272 274 H ASP 37 HN ASP 37 -1.957 4.911 8.559 275 HA ASP 37 HA ASP 37 0.366 3.103 8.687 276 HB2 ASP 37 HB2 ASP 37 -2.069 3.371 10.379 277 HB3 ASP 37 HB1 ASP 37 -1.446 1.746 10.109 278 H PHE 38 HN PHE 38 0.431 2.063 6.795 279 HA PHE 38 HA PHE 38 -2.077 1.026 5.670 280 HB2 PHE 38 HB2 PHE 38 -0.749 2.447 4.167 281 HB3 PHE 38 HB1 PHE 38 0.623 1.359 4.347 282 HD1 PHE 38 HD2 PHE 38 -2.802 1.660 3.013 283 HD2 PHE 38 HD1 PHE 38 0.780 -0.635 3.093 284 HE1 PHE 38 HE2 PHE 38 -3.627 0.317 1.123 285 HE2 PHE 38 HE1 PHE 38 -0.037 -1.983 1.203 286 HZ PHE 38 HZ PHE 38 -2.242 -1.508 0.216 287 H LYS 39 HN LYS 39 -2.527 -1.023 6.040 288 HA LYS 39 HA LYS 39 -0.302 -2.939 6.290 289 HB2 LYS 39 HB2 LYS 39 -2.913 -3.379 7.691 290 HB3 LYS 39 HB1 LYS 39 -1.324 -4.030 8.073 291 HG2 LYS 39 HG2 LYS 39 -1.577 -1.106 8.279 292 HG3 LYS 39 HG1 LYS 39 -2.514 -2.043 9.444 293 HD2 LYS 39 HD2 LYS 39 0.279 -2.905 9.033 294 HD3 LYS 39 HD1 LYS 39 0.059 -1.338 9.816 295 HE2 LYS 39 HE2 LYS 39 -0.108 -2.563 11.694 296 HE3 LYS 39 HE1 LYS 39 -1.761 -2.839 11.147 297 HZ1 LYS 39 HZ1 LYS 39 0.536 -4.652 11.104 298 HZ2 LYS 39 HZ2 LYS 39 -0.610 -4.798 9.870 299 HZ3 LYS 39 HZ3 LYS 39 -1.082 -4.969 11.486 300 H PHE 40 HN PHE 40 -0.376 -4.659 4.979 301 HA PHE 40 HA PHE 40 -2.928 -5.290 3.653 302 HB2 PHE 40 HB2 PHE 40 -1.543 -4.116 2.048 303 HB3 PHE 40 HB1 PHE 40 -0.181 -5.175 2.396 304 HD1 PHE 40 HD2 PHE 40 -0.275 -7.561 1.717 305 HD2 PHE 40 HD1 PHE 40 -3.229 -4.742 0.517 306 HE1 PHE 40 HE2 PHE 40 -1.003 -9.090 -0.069 307 HE2 PHE 40 HE1 PHE 40 -3.965 -6.266 -1.269 308 HZ PHE 40 HZ PHE 40 -2.851 -8.442 -1.564 309 H TYR 41 HN TYR 41 -3.558 -7.277 4.180 310 HA TYR 41 HA TYR 41 -1.484 -9.327 4.610 311 HB2 TYR 41 HB2 TYR 41 -4.208 -9.540 5.838 312 HB3 TYR 41 HB1 TYR 41 -2.688 -10.251 6.371 313 HD1 TYR 41 HD2 TYR 41 -4.554 -7.053 6.137 314 HD2 TYR 41 HD1 TYR 41 -1.344 -9.160 7.968 315 HE1 TYR 41 HE2 TYR 41 -4.267 -5.210 7.739 316 HE2 TYR 41 HE1 TYR 41 -1.050 -7.324 9.576 317 HH TYR 41 HH TYR 41 -2.811 -5.395 10.511 318 H ALA 42 HN ALA 42 -1.486 -10.920 3.193 319 HA ALA 42 HA ALA 42 -4.016 -11.659 1.876 320 HB1 ALA 42 HB1 ALA 42 -1.308 -11.655 0.543 321 HB2 ALA 42 HB2 ALA 42 -2.528 -10.398 0.337 322 HB3 ALA 42 HB3 ALA 42 -2.859 -12.045 -0.201 323 H LYS 43 HN LYS 43 -2.693 -12.710 4.222 324 HA LYS 43 HA LYS 43 -2.722 -14.797 5.143 325 HB2 LYS 43 HB2 LYS 43 -3.847 -15.903 3.374 326 HB3 LYS 43 HB1 LYS 43 -2.459 -15.815 2.318 327 HG2 LYS 43 HG2 LYS 43 -2.261 -17.971 2.982 328 HG3 LYS 43 HG1 LYS 43 -1.345 -17.207 4.282 329 HD2 LYS 43 HD2 LYS 43 -3.302 -17.238 5.716 330 HD3 LYS 43 HD1 LYS 43 -4.279 -17.906 4.407 331 HE2 LYS 43 HE2 LYS 43 -1.822 -19.380 5.168 332 HE3 LYS 43 HE1 LYS 43 -3.175 -19.427 6.296 333 HZ1 LYS 43 HZ1 LYS 43 -4.526 -20.030 4.201 334 HZ2 LYS 43 HZ2 LYS 43 -3.582 -21.225 4.936 335 HZ3 LYS 43 HZ3 LYS 43 -3.026 -20.450 3.539 336 HA PRO 44 HA PRO 44 1.787 -15.793 4.763 337 HB2 PRO 44 HB2 PRO 44 3.041 -16.369 2.505 338 HB3 PRO 44 HB1 PRO 44 1.858 -17.496 3.168 339 HG2 PRO 44 HG2 PRO 44 1.531 -15.502 0.960 340 HG3 PRO 44 HG1 PRO 44 0.997 -17.193 1.022 341 HD2 PRO 44 HD2 PRO 44 -0.627 -15.041 1.560 342 HD3 PRO 44 HD1 PRO 44 -0.887 -16.677 2.184 343 H TYR 45 HN TYR 45 0.668 -13.522 2.440 344 HA TYR 45 HA TYR 45 3.195 -12.056 2.513 345 HB2 TYR 45 HB2 TYR 45 0.766 -11.660 0.754 346 HB3 TYR 45 HB1 TYR 45 2.258 -10.733 0.648 347 HD1 TYR 45 HD1 TYR 45 4.308 -12.817 0.895 348 HD2 TYR 45 HD2 TYR 45 0.622 -12.858 -1.227 349 HE1 TYR 45 HE1 TYR 45 5.228 -14.486 -0.659 350 HE2 TYR 45 HE2 TYR 45 1.530 -14.529 -2.787 351 HH TYR 45 HH TYR 45 3.281 -15.768 -3.343 352 H PHE 46 HN PHE 46 3.395 -10.486 3.960 353 HA PHE 46 HA PHE 46 1.010 -8.920 4.688 354 HB2 PHE 46 HB2 PHE 46 1.416 -10.221 6.611 355 HB3 PHE 46 HB1 PHE 46 3.161 -10.056 6.461 356 HD1 PHE 46 HD2 PHE 46 0.322 -7.629 6.608 357 HD2 PHE 46 HD1 PHE 46 4.047 -8.905 8.223 358 HE1 PHE 46 HE2 PHE 46 0.277 -5.746 8.192 359 HE2 PHE 46 HE1 PHE 46 4.007 -7.026 9.810 360 HZ PHE 46 HZ PHE 46 2.121 -5.443 9.796 361 H LEU 47 HN LEU 47 1.219 -6.845 4.159 362 HA LEU 47 HA LEU 47 3.937 -5.721 3.993 363 HB2 LEU 47 HB2 LEU 47 2.030 -5.932 1.985 364 HB3 LEU 47 HB1 LEU 47 1.939 -4.260 2.492 365 HG LEU 47 HG LEU 47 4.281 -5.721 1.312 366 HD11 LEU 47 HD11 LEU 47 2.411 -3.616 0.496 367 HD12 LEU 47 HD12 LEU 47 3.353 -4.744 -0.479 368 HD13 LEU 47 HD13 LEU 47 4.106 -3.278 0.145 369 HD21 LEU 47 HD21 LEU 47 4.436 -3.866 3.425 370 HD22 LEU 47 HD22 LEU 47 4.916 -3.011 1.959 371 HD23 LEU 47 HD23 LEU 47 5.750 -4.492 2.430 372 H ARG 48 HN ARG 48 4.320 -4.375 5.594 373 HA ARG 48 HA ARG 48 2.141 -2.611 6.475 374 HB2 ARG 48 HB2 ARG 48 2.823 -4.156 8.251 375 HB3 ARG 48 HB1 ARG 48 4.495 -3.638 8.079 376 HG2 ARG 48 HG2 ARG 48 3.049 -1.294 8.506 377 HG3 ARG 48 HG1 ARG 48 2.366 -2.477 9.623 378 HD2 ARG 48 HD2 ARG 48 5.254 -2.621 9.548 379 HD3 ARG 48 HD1 ARG 48 4.698 -1.002 9.967 380 HE ARG 48 HE ARG 48 3.826 -1.829 11.943 381 HH11 ARG 48 HH11 ARG 48 4.945 -4.429 9.916 382 HH12 ARG 48 HH12 ARG 48 4.834 -5.624 11.166 383 HH21 ARG 48 HH21 ARG 48 3.673 -3.393 13.596 384 HH22 ARG 48 HH22 ARG 48 4.111 -5.035 13.259 385 H LEU 49 HN LEU 49 2.436 -0.658 5.620 386 HA LEU 49 HA LEU 49 5.176 0.418 5.536 387 HB2 LEU 49 HB2 LEU 49 2.952 0.938 3.564 388 HB3 LEU 49 HB1 LEU 49 4.562 1.633 3.504 389 HG LEU 49 HG LEU 49 4.361 -1.333 3.507 390 HD11 LEU 49 HD11 LEU 49 2.790 0.118 1.734 391 HD12 LEU 49 HD12 LEU 49 3.287 -1.566 1.577 392 HD13 LEU 49 HD13 LEU 49 4.240 -0.292 0.816 393 HD21 LEU 49 HD21 LEU 49 6.376 0.525 3.191 394 HD22 LEU 49 HD22 LEU 49 6.047 -0.017 1.545 395 HD23 LEU 49 HD23 LEU 49 6.465 -1.190 2.794 396 H THR 50 HN THR 50 5.506 2.288 6.533 397 HA THR 50 HA THR 50 3.187 3.728 7.602 398 HB THR 50 HB THR 50 6.045 4.316 8.332 399 HG1 THR 50 HG1 THR 50 4.382 2.253 9.374 400 HG21 THR 50 HG21 THR 50 5.158 5.266 10.274 401 HG22 THR 50 HG22 THR 50 3.618 4.426 10.091 402 HG23 THR 50 HG23 THR 50 4.031 5.756 9.009 403 H LEU 51 HN LEU 51 2.478 5.309 6.321 404 HA LEU 51 HA LEU 51 4.099 6.564 4.351 405 HB2 LEU 51 HB2 LEU 51 1.510 7.708 5.328 406 HB3 LEU 51 HB1 LEU 51 2.185 7.727 3.709 407 HG LEU 51 HG LEU 51 0.882 5.415 5.131 408 HD11 LEU 51 HD11 LEU 51 -0.638 5.453 3.254 409 HD12 LEU 51 HD12 LEU 51 0.287 6.749 2.495 410 HD13 LEU 51 HD13 LEU 51 -0.579 7.050 4.002 411 HD21 LEU 51 HD21 LEU 51 3.079 4.982 3.731 412 HD22 LEU 51 HD22 LEU 51 1.957 5.124 2.378 413 HD23 LEU 51 HD23 LEU 51 1.686 3.905 3.623 414 HA PRO 52 HA PRO 52 6.102 9.694 6.726 415 HB2 PRO 52 HB2 PRO 52 6.509 11.477 4.674 416 HB3 PRO 52 HB1 PRO 52 7.511 10.050 4.962 417 HG2 PRO 52 HG2 PRO 52 5.247 10.430 3.047 418 HG3 PRO 52 HG1 PRO 52 6.805 9.620 2.791 419 HD2 PRO 52 HD2 PRO 52 4.559 8.227 3.240 420 HD3 PRO 52 HD1 PRO 52 6.123 7.695 3.893 421 H GLY 53 HN GLY 53 3.139 10.175 5.043 422 HA2 GLY 53 HA2 GLY 53 2.738 12.693 6.537 423 HA3 GLY 53 HA1 GLY 53 2.098 12.444 4.920 424 H ARG 54 HN ARG 54 -0.035 12.315 5.057 425 HA ARG 54 HA ARG 54 -1.206 10.281 6.768 426 HB2 ARG 54 HB2 ARG 54 -2.121 13.159 6.892 427 HB3 ARG 54 HB1 ARG 54 -2.858 11.803 7.734 428 HG2 ARG 54 HG2 ARG 54 -0.678 11.479 8.927 429 HG3 ARG 54 HG1 ARG 54 -0.142 12.999 8.210 430 HD2 ARG 54 HD2 ARG 54 -2.762 13.142 9.509 431 HD3 ARG 54 HD1 ARG 54 -1.437 12.750 10.604 432 HE ARG 54 HE ARG 54 -0.563 14.885 9.098 433 HH11 ARG 54 HH11 ARG 54 -3.194 14.231 11.284 434 HH12 ARG 54 HH12 ARG 54 -3.324 15.872 11.824 435 HH21 ARG 54 HH21 ARG 54 -0.725 17.049 9.804 436 HH22 ARG 54 HH22 ARG 54 -1.919 17.473 10.985 437 H ILE 55 HN ILE 55 -3.187 9.513 6.041 438 HA ILE 55 HA ILE 55 -4.106 10.606 3.460 439 HB ILE 55 HB ILE 55 -3.961 7.720 4.343 440 HG12 ILE 55 HG12 ILE 55 -1.865 8.616 3.480 441 HG13 ILE 55 HG11 ILE 55 -2.553 7.476 2.329 442 HG21 ILE 55 HG21 ILE 55 -6.080 8.508 3.041 443 HG22 ILE 55 HG22 ILE 55 -5.236 7.044 2.545 444 HG23 ILE 55 HG23 ILE 55 -4.983 8.547 1.662 445 HD11 ILE 55 HD11 ILE 55 -3.536 9.540 1.176 446 HD12 ILE 55 HD12 ILE 55 -1.807 9.237 1.014 447 HD13 ILE 55 HD13 ILE 55 -2.387 10.456 2.149 448 H VAL 56 HN VAL 56 -6.167 11.263 3.426 449 HA VAL 56 HA VAL 56 -7.796 11.381 5.647 450 HB VAL 56 HB VAL 56 -8.295 12.812 3.820 451 HG11 VAL 56 HG11 VAL 56 -7.618 11.823 1.871 452 HG12 VAL 56 HG12 VAL 56 -9.366 11.636 1.726 453 HG13 VAL 56 HG13 VAL 56 -8.376 10.279 2.262 454 HG21 VAL 56 HG21 VAL 56 -10.251 12.301 5.078 455 HG22 VAL 56 HG22 VAL 56 -10.468 10.768 4.235 456 HG23 VAL 56 HG23 VAL 56 -10.713 12.288 3.376 457 H GLU 57 HN GLU 57 -9.588 10.249 6.379 458 HA GLU 57 HA GLU 57 -9.777 7.475 5.409 459 HB2 GLU 57 HB2 GLU 57 -10.998 7.845 7.987 460 HB3 GLU 57 HB1 GLU 57 -9.671 6.786 7.529 461 HG2 GLU 57 HG2 GLU 57 -8.061 8.472 7.973 462 HG3 GLU 57 HG1 GLU 57 -9.310 9.704 8.153 463 H ASN 58 HN ASN 58 -11.606 6.893 4.456 464 HA ASN 58 HA ASN 58 -14.162 7.875 5.317 465 HB2 ASN 58 HB2 ASN 58 -13.604 9.760 3.942 466 HB3 ASN 58 HB1 ASN 58 -13.044 8.716 2.639 467 HD21 ASN 58 HD21 ASN 58 -15.918 8.090 4.509 468 HD22 ASN 58 HD22 ASN 58 -17.049 8.390 3.237 469 H GLY 59 HN GLY 59 -12.312 6.192 2.822 470 HA2 GLY 59 HA2 GLY 59 -12.716 3.804 2.540 471 HA3 GLY 59 HA1 GLY 59 -14.425 4.130 2.785 472 H SER 60 HN SER 60 -13.527 6.642 0.979 473 HA SER 60 HA SER 60 -14.670 5.571 -1.408 474 HB2 SER 60 HB2 SER 60 -14.192 8.140 -0.351 475 HB3 SER 60 HB1 SER 60 -13.279 8.060 -1.858 476 HG SER 60 HG SER 60 -15.765 6.983 -2.101 477 H GLU 61 HN GLU 61 -11.558 7.248 -1.051 478 HA GLU 61 HA GLU 61 -9.695 7.098 -2.423 479 HB2 GLU 61 HB2 GLU 61 -9.389 4.249 -1.898 480 HB3 GLU 61 HB1 GLU 61 -8.392 5.600 -1.378 481 HG2 GLU 61 HG2 GLU 61 -11.012 5.014 -0.055 482 HG3 GLU 61 HG1 GLU 61 -9.542 4.153 0.402 483 H GLN 62 HN GLN 62 -8.651 4.699 -3.586 484 HA GLN 62 HA GLN 62 -10.540 3.832 -5.600 485 HB2 GLN 62 HB2 GLN 62 -8.355 5.783 -6.154 486 HB3 GLN 62 HB1 GLN 62 -8.669 4.538 -7.355 487 HG2 GLN 62 HG2 GLN 62 -10.732 5.373 -7.886 488 HG3 GLN 62 HG1 GLN 62 -10.957 6.121 -6.306 489 HE21 GLN 62 HE21 GLN 62 -9.220 6.374 -9.350 490 HE22 GLN 62 HE22 GLN 62 -8.969 8.083 -9.279 491 H GLY 63 HN GLY 63 -9.459 2.269 -7.153 492 HA2 GLY 63 HA2 GLY 63 -6.999 1.145 -6.935 493 HA3 GLY 63 HA1 GLY 63 -7.872 0.440 -5.583 494 H SER 64 HN SER 64 -6.758 -0.889 -7.900 495 HA SER 64 HA SER 64 -9.105 -2.404 -8.643 496 HB2 SER 64 HB2 SER 64 -9.162 -0.761 -10.404 497 HB3 SER 64 HB1 SER 64 -7.437 -0.957 -10.710 498 HG SER 64 HG SER 64 -9.076 -3.212 -10.896 499 H TYR 65 HN TYR 65 -8.639 -4.511 -9.198 500 HA TYR 65 HA TYR 65 -5.804 -5.270 -8.955 501 HB2 TYR 65 HB2 TYR 65 -7.098 -6.181 -7.135 502 HB3 TYR 65 HB1 TYR 65 -8.308 -6.810 -8.249 503 HD1 TYR 65 HD2 TYR 65 -4.622 -6.995 -8.609 504 HD2 TYR 65 HD1 TYR 65 -8.216 -9.121 -7.796 505 HE1 TYR 65 HE2 TYR 65 -3.390 -9.119 -8.745 506 HE2 TYR 65 HE1 TYR 65 -6.994 -11.250 -7.930 507 HH TYR 65 HH TYR 65 -4.194 -11.677 -9.337 508 H ASP 66 HN ASP 66 -4.854 -6.044 -10.713 509 HA ASP 66 HA ASP 66 -6.557 -7.110 -12.864 510 HB2 ASP 66 HB2 ASP 66 -4.452 -5.177 -12.878 511 HB3 ASP 66 HB1 ASP 66 -3.935 -6.570 -13.823 512 H ALA 67 HN ALA 67 -6.477 -9.226 -13.173 513 HA ALA 67 HA ALA 67 -4.532 -10.867 -11.867 514 HB1 ALA 67 HB1 ALA 67 -5.726 -12.636 -13.443 515 HB2 ALA 67 HB2 ALA 67 -6.929 -11.350 -13.547 516 HB3 ALA 67 HB3 ALA 67 -6.489 -12.022 -11.977 517 H ASP 68 HN ASP 68 -5.155 -9.885 -15.204 518 HA ASP 68 HA ASP 68 -3.324 -11.485 -16.531 519 HB2 ASP 68 HB2 ASP 68 -4.970 -9.375 -17.229 520 HB3 ASP 68 HB1 ASP 68 -3.358 -8.737 -17.537 521 H LYS 69 HN LYS 69 -2.793 -8.221 -15.204 522 HA LYS 69 HA LYS 69 0.061 -8.416 -15.611 523 HB2 LYS 69 HB2 LYS 69 -1.020 -6.250 -15.875 524 HB3 LYS 69 HB1 LYS 69 -1.635 -6.326 -14.230 525 HG2 LYS 69 HG2 LYS 69 0.683 -6.284 -13.391 526 HG3 LYS 69 HG1 LYS 69 1.254 -6.116 -15.053 527 HD2 LYS 69 HD2 LYS 69 1.146 -3.951 -13.897 528 HD3 LYS 69 HD1 LYS 69 0.045 -4.015 -15.275 529 HE2 LYS 69 HE2 LYS 69 -1.276 -4.943 -12.897 530 HE3 LYS 69 HE1 LYS 69 -0.566 -3.354 -12.617 531 HZ1 LYS 69 HZ1 LYS 69 -2.066 -2.389 -13.927 532 HZ2 LYS 69 HZ2 LYS 69 -2.945 -3.831 -13.831 533 HZ3 LYS 69 HZ3 LYS 69 -1.913 -3.555 -15.143 534 H GLY 70 HN GLY 70 -2.186 -9.299 -13.226 535 HA2 GLY 70 HA2 GLY 70 -1.978 -10.150 -11.107 536 HA3 GLY 70 HA1 GLY 70 -0.344 -10.585 -11.584 537 H ILE 71 HN ILE 71 -2.044 -7.513 -10.907 538 HA ILE 71 HA ILE 71 -0.155 -6.991 -8.749 539 HB ILE 71 HB ILE 71 -0.525 -5.167 -11.123 540 HG12 ILE 71 HG12 ILE 71 1.919 -6.480 -9.913 541 HG13 ILE 71 HG11 ILE 71 1.148 -6.923 -11.433 542 HG21 ILE 71 HG21 ILE 71 0.622 -4.631 -8.402 543 HG22 ILE 71 HG22 ILE 71 -0.593 -3.711 -9.289 544 HG23 ILE 71 HG23 ILE 71 1.090 -3.685 -9.816 545 HD11 ILE 71 HD11 ILE 71 3.124 -4.910 -10.899 546 HD12 ILE 71 HD12 ILE 71 1.701 -4.205 -11.667 547 HD13 ILE 71 HD13 ILE 71 2.550 -5.543 -12.441 548 H PHE 72 HN PHE 72 -0.904 -5.541 -7.209 549 HA PHE 72 HA PHE 72 -3.745 -4.810 -7.469 550 HB2 PHE 72 HB2 PHE 72 -3.641 -6.344 -5.705 551 HB3 PHE 72 HB1 PHE 72 -2.102 -5.720 -5.125 552 HD1 PHE 72 HD1 PHE 72 -4.895 -3.508 -5.982 553 HD2 PHE 72 HD2 PHE 72 -2.837 -5.529 -2.854 554 HE1 PHE 72 HE1 PHE 72 -6.085 -2.140 -4.319 555 HE2 PHE 72 HE2 PHE 72 -4.022 -4.165 -1.185 556 HZ PHE 72 HZ PHE 72 -5.650 -2.469 -1.916 557 H THR 73 HN THR 73 -4.000 -2.719 -7.853 558 HA THR 73 HA THR 73 -2.134 -0.814 -6.587 559 HB THR 73 HB THR 73 -3.654 0.343 -8.760 560 HG1 THR 73 HG1 THR 73 -3.590 -1.462 -9.951 561 HG21 THR 73 HG21 THR 73 -0.780 0.030 -7.992 562 HG22 THR 73 HG22 THR 73 -1.747 1.499 -8.127 563 HG23 THR 73 HG23 THR 73 -1.208 0.660 -9.582 564 H ILE 74 HN ILE 74 -2.943 0.715 -5.279 565 HA ILE 74 HA ILE 74 -5.820 1.272 -5.337 566 HB ILE 74 HB ILE 74 -5.735 -0.388 -3.654 567 HG12 ILE 74 HG12 ILE 74 -5.552 1.665 -1.633 568 HG13 ILE 74 HG11 ILE 74 -6.400 2.279 -3.050 569 HG21 ILE 74 HG21 ILE 74 -4.091 0.135 -1.643 570 HG22 ILE 74 HG22 ILE 74 -3.172 0.920 -2.927 571 HG23 ILE 74 HG23 ILE 74 -3.578 -0.792 -3.052 572 HD11 ILE 74 HD11 ILE 74 -7.981 1.366 -1.495 573 HD12 ILE 74 HD12 ILE 74 -7.105 -0.165 -1.446 574 HD13 ILE 74 HD13 ILE 74 -7.918 0.338 -2.928 575 H ARG 75 HN ARG 75 -6.078 3.398 -5.479 576 HA ARG 75 HA ARG 75 -3.972 5.191 -4.561 577 HB2 ARG 75 HB2 ARG 75 -6.531 6.080 -5.858 578 HB3 ARG 75 HB1 ARG 75 -4.956 6.858 -5.883 579 HG2 ARG 75 HG2 ARG 75 -4.142 4.918 -7.264 580 HG3 ARG 75 HG1 ARG 75 -5.828 4.413 -7.395 581 HD2 ARG 75 HD2 ARG 75 -5.380 5.680 -9.334 582 HD3 ARG 75 HD1 ARG 75 -6.316 6.733 -8.276 583 HE ARG 75 HE ARG 75 -3.472 7.041 -7.990 584 HH11 ARG 75 HH11 ARG 75 -6.299 8.035 -9.764 585 HH12 ARG 75 HH12 ARG 75 -5.611 9.540 -10.273 586 HH21 ARG 75 HH21 ARG 75 -2.556 9.024 -8.652 587 HH22 ARG 75 HH22 ARG 75 -3.482 10.102 -9.641 588 H LEU 76 HN LEU 76 -4.297 6.877 -3.113 589 HA LEU 76 HA LEU 76 -6.763 6.766 -1.528 590 HB2 LEU 76 HB2 LEU 76 -3.969 6.895 -0.398 591 HB3 LEU 76 HB1 LEU 76 -5.455 6.935 0.526 592 HG LEU 76 HG LEU 76 -5.195 4.582 -1.204 593 HD11 LEU 76 HD11 LEU 76 -2.958 4.434 -0.715 594 HD12 LEU 76 HD12 LEU 76 -3.658 3.579 0.660 595 HD13 LEU 76 HD13 LEU 76 -3.131 5.254 0.838 596 HD21 LEU 76 HD21 LEU 76 -6.984 4.858 0.432 597 HD22 LEU 76 HD22 LEU 76 -5.791 4.964 1.727 598 HD23 LEU 76 HD23 LEU 76 -5.978 3.463 0.820 599 HA PRO 77 HA PRO 77 -6.368 11.178 -1.880 600 HB2 PRO 77 HB2 PRO 77 -8.422 11.698 -0.019 601 HB3 PRO 77 HB1 PRO 77 -8.602 11.511 -1.761 602 HG2 PRO 77 HG2 PRO 77 -9.589 9.779 0.230 603 HG3 PRO 77 HG1 PRO 77 -9.546 9.476 -1.514 604 HD2 PRO 77 HD2 PRO 77 -7.740 8.495 0.625 605 HD3 PRO 77 HD1 PRO 77 -8.166 7.754 -0.931 606 H LYS 78 HN LYS 78 -5.518 12.944 -0.753 607 HA LYS 78 HA LYS 78 -4.237 12.256 1.767 608 HB2 LYS 78 HB2 LYS 78 -3.696 14.072 -0.430 609 HB3 LYS 78 HB1 LYS 78 -3.546 14.879 1.125 610 HG2 LYS 78 HG2 LYS 78 -1.952 13.208 1.869 611 HG3 LYS 78 HG1 LYS 78 -2.138 12.331 0.346 612 HD2 LYS 78 HD2 LYS 78 -1.074 15.138 0.664 613 HD3 LYS 78 HD1 LYS 78 -0.115 13.695 0.325 614 HE2 LYS 78 HE2 LYS 78 -0.371 14.279 -1.824 615 HE3 LYS 78 HE1 LYS 78 -1.985 13.591 -1.650 616 HZ1 LYS 78 HZ1 LYS 78 -1.198 16.441 -1.488 617 HZ2 LYS 78 HZ2 LYS 78 -2.703 15.884 -0.956 618 HZ3 LYS 78 HZ3 LYS 78 -2.267 15.715 -2.581 619 H GLU 79 HN GLU 79 -4.246 13.705 3.584 620 HA GLU 79 HA GLU 79 -6.907 14.707 4.141 621 HB2 GLU 79 HB2 GLU 79 -6.122 13.621 6.013 622 HB3 GLU 79 HB1 GLU 79 -4.457 14.106 5.729 623 HG2 GLU 79 HG2 GLU 79 -4.735 16.152 6.756 624 HG3 GLU 79 HG1 GLU 79 -6.482 16.152 6.518 625 H THR 80 HN THR 80 -3.904 15.916 3.089 626 HA THR 80 HA THR 80 -4.923 18.652 3.220 627 HB THR 80 HB THR 80 -2.314 17.718 4.399 628 HG1 THR 80 HG1 THR 80 -4.093 19.696 5.387 629 HG21 THR 80 HG21 THR 80 -2.857 20.249 2.990 630 HG22 THR 80 HG22 THR 80 -1.325 19.441 3.325 631 HG23 THR 80 HG23 THR 80 -2.106 20.405 4.577 632 HA PRO 81 HA PRO 81 -3.664 17.524 -1.094 633 HB2 PRO 81 HB2 PRO 81 -4.833 20.279 -1.236 634 HB3 PRO 81 HB1 PRO 81 -5.024 18.920 -2.351 635 HG2 PRO 81 HG2 PRO 81 -6.932 19.536 -0.579 636 HG3 PRO 81 HG1 PRO 81 -6.571 17.854 -1.005 637 HD2 PRO 81 HD2 PRO 81 -5.996 19.329 1.493 638 HD3 PRO 81 HD1 PRO 81 -6.179 17.585 1.226 639 H GLY 82 HN GLY 82 -1.970 18.267 -2.359 640 HA2 GLY 82 HA2 GLY 82 -0.251 19.735 -3.001 641 HA3 GLY 82 HA1 GLY 82 -0.576 20.706 -1.572 642 H GLN 83 HN GLN 83 -0.567 17.814 -0.256 643 HA GLN 83 HA GLN 83 2.174 18.035 0.631 644 HB2 GLN 83 HB2 GLN 83 -0.138 17.217 1.848 645 HB3 GLN 83 HB1 GLN 83 0.633 15.680 1.485 646 HG2 GLN 83 HG2 GLN 83 1.143 16.611 3.739 647 HG3 GLN 83 HG1 GLN 83 2.555 16.244 2.749 648 HE21 GLN 83 HE21 GLN 83 3.615 17.696 4.278 649 HE22 GLN 83 HE22 GLN 83 3.569 19.398 3.981 650 H HIS 84 HN HIS 84 3.848 16.743 0.085 651 HA HIS 84 HA HIS 84 3.281 14.498 -1.737 652 HB2 HIS 84 HB2 HIS 84 4.244 16.448 -2.924 653 HB3 HIS 84 HB1 HIS 84 5.650 16.373 -1.866 654 HD1 HIS 84 HD1 HIS 84 6.513 13.547 -1.928 655 HD2 HIS 84 HD2 HIS 84 4.995 15.438 -5.301 656 HE1 HIS 84 HE1 HIS 84 7.381 12.231 -3.884 657 HE2 HIS 84 HE2 HIS 84 6.547 13.463 -5.915 658 H PHE 85 HN PHE 85 3.858 12.614 -0.891 659 HA PHE 85 HA PHE 85 5.620 12.452 1.373 660 HB2 PHE 85 HB2 PHE 85 4.349 10.272 -0.296 661 HB3 PHE 85 HB1 PHE 85 5.154 10.038 1.244 662 HD1 PHE 85 HD1 PHE 85 3.565 13.069 1.567 663 HD2 PHE 85 HD2 PHE 85 2.684 8.912 1.329 664 HE1 PHE 85 HE1 PHE 85 1.434 13.458 2.730 665 HE2 PHE 85 HE2 PHE 85 0.550 9.295 2.493 666 HZ PHE 85 HZ PHE 85 -0.077 11.570 3.195 667 H GLU 86 HN GLU 86 7.614 13.175 0.607 668 HA GLU 86 HA GLU 86 8.836 12.053 -1.716 669 HB2 GLU 86 HB2 GLU 86 9.570 14.050 0.341 670 HB3 GLU 86 HB1 GLU 86 10.893 13.269 -0.513 671 HG2 GLU 86 HG2 GLU 86 8.706 14.245 -2.211 672 HG3 GLU 86 HG1 GLU 86 9.624 15.488 -1.365 673 H GLY 87 HN GLY 87 11.197 11.350 -1.481 674 HA2 GLY 87 HA2 GLY 87 12.458 9.445 -1.100 675 HA3 GLY 87 HA1 GLY 87 12.432 10.091 0.531 676 H LEU 88 HN LEU 88 9.736 8.623 -1.276 677 HA LEU 88 HA LEU 88 8.839 7.073 0.855 678 HB2 LEU 88 HB2 LEU 88 8.580 6.394 -2.068 679 HB3 LEU 88 HB1 LEU 88 7.547 5.840 -0.770 680 HG LEU 88 HG LEU 88 7.620 8.729 -0.872 681 HD11 LEU 88 HD11 LEU 88 7.454 7.319 -3.407 682 HD12 LEU 88 HD12 LEU 88 7.642 9.042 -3.077 683 HD13 LEU 88 HD13 LEU 88 6.035 8.315 -3.085 684 HD21 LEU 88 HD21 LEU 88 5.374 6.751 -1.245 685 HD22 LEU 88 HD22 LEU 88 5.215 8.462 -0.844 686 HD23 LEU 88 HD23 LEU 88 5.956 7.351 0.309 687 H ASN 89 HN ASN 89 10.603 5.915 -2.024 688 HA ASN 89 HA ASN 89 11.387 3.501 -0.612 689 HB2 ASN 89 HB2 ASN 89 10.693 3.795 -3.151 690 HB3 ASN 89 HB1 ASN 89 12.402 4.171 -3.343 691 HD21 ASN 89 HD21 ASN 89 10.617 1.857 -4.132 692 HD22 ASN 89 HD22 ASN 89 11.486 0.461 -3.605 693 H MET 90 HN MET 90 12.440 6.495 -0.415 694 HA MET 90 HA MET 90 15.279 5.734 -0.230 695 HB2 MET 90 HB2 MET 90 14.184 8.498 -0.787 696 HB3 MET 90 HB1 MET 90 15.879 8.038 -0.728 697 HG2 MET 90 HG2 MET 90 15.870 7.354 -2.842 698 HG3 MET 90 HG1 MET 90 14.374 6.447 -2.628 699 HE1 MET 90 HE1 MET 90 15.327 7.635 -5.078 700 HE2 MET 90 HE2 MET 90 15.550 9.384 -5.032 701 HE3 MET 90 HE3 MET 90 14.114 8.698 -5.792 702 H LEU 91 HN LEU 91 12.679 6.084 1.566 703 HA LEU 91 HA LEU 91 13.442 7.959 3.561 704 HB2 LEU 91 HB2 LEU 91 11.246 6.153 3.023 705 HB3 LEU 91 HB1 LEU 91 11.707 6.087 4.717 706 HG LEU 91 HG LEU 91 10.888 8.553 3.180 707 HD11 LEU 91 HD11 LEU 91 9.217 8.296 5.320 708 HD12 LEU 91 HD12 LEU 91 9.467 6.616 4.843 709 HD13 LEU 91 HD13 LEU 91 8.849 7.781 3.674 710 HD21 LEU 91 HD21 LEU 91 11.810 8.218 6.028 711 HD22 LEU 91 HD22 LEU 91 10.997 9.656 5.411 712 HD23 LEU 91 HD23 LEU 91 12.567 9.185 4.762 713 H THR 92 HN THR 92 13.458 6.985 5.975 714 HA THR 92 HA THR 92 15.519 4.877 5.981 715 HB THR 92 HB THR 92 16.380 7.128 6.641 716 HG1 THR 92 HG1 THR 92 17.376 5.254 7.515 717 HG21 THR 92 HG21 THR 92 15.312 8.420 8.103 718 HG22 THR 92 HG22 THR 92 15.316 7.134 9.310 719 HG23 THR 92 HG23 THR 92 14.007 7.234 8.131 720 H ALA 93 HN ALA 93 15.721 4.121 8.463 721 HA ALA 93 HA ALA 93 13.045 3.127 9.140 722 HB1 ALA 93 HB1 ALA 93 15.703 2.065 10.088 723 HB2 ALA 93 HB2 ALA 93 14.835 1.465 8.675 724 HB3 ALA 93 HB3 ALA 93 14.121 1.311 10.280 725 H LEU 94 HN LEU 94 12.031 3.879 10.870 726 HA LEU 94 HA LEU 94 13.628 5.178 12.979 727 HB2 LEU 94 HB2 LEU 94 11.347 6.396 13.388 728 HB3 LEU 94 HB1 LEU 94 12.451 6.963 12.150 729 HG LEU 94 HG LEU 94 10.317 5.023 11.383 730 HD11 LEU 94 HD11 LEU 94 8.646 6.641 11.203 731 HD12 LEU 94 HD12 LEU 94 9.778 7.971 11.448 732 HD13 LEU 94 HD13 LEU 94 9.344 6.923 12.798 733 HD21 LEU 94 HD21 LEU 94 10.567 7.044 9.507 734 HD22 LEU 94 HD22 LEU 94 11.297 5.441 9.428 735 HD23 LEU 94 HD23 LEU 94 12.211 6.793 10.092 736 H LEU 95 HN LEU 95 13.728 3.792 14.629 737 HA LEU 95 HA LEU 95 11.425 2.104 15.247 738 HB2 LEU 95 HB2 LEU 95 14.306 2.094 16.085 739 HB3 LEU 95 HB1 LEU 95 13.111 1.177 16.983 740 HG LEU 95 HG LEU 95 12.522 0.064 14.755 741 HD11 LEU 95 HD11 LEU 95 14.462 0.031 13.158 742 HD12 LEU 95 HD12 LEU 95 15.100 1.430 14.023 743 HD13 LEU 95 HD13 LEU 95 13.543 1.536 13.201 744 HD21 LEU 95 HD21 LEU 95 15.173 -0.909 15.114 745 HD22 LEU 95 HD22 LEU 95 13.653 -1.611 15.668 746 HD23 LEU 95 HD23 LEU 95 14.518 -0.463 16.689 747 H ALA 96 HN ALA 96 9.993 2.723 16.688 748 HA ALA 96 HA ALA 96 10.809 4.643 18.762 749 HB1 ALA 96 HB1 ALA 96 8.099 4.745 18.799 750 HB2 ALA 96 HB2 ALA 96 8.405 4.416 17.095 751 HB3 ALA 96 HB3 ALA 96 9.128 5.829 17.864 Start of MODEL 11 1 H MET 1 H MET 1 11.592 -18.610 1.430 2 HA MET 1 HA MET 1 9.523 -18.078 0.767 3 HB2 MET 1 HB2 MET 1 8.301 -16.120 1.691 4 HB3 MET 1 HB1 MET 1 8.729 -17.305 2.917 5 HG2 MET 1 HG2 MET 1 10.870 -15.556 2.906 6 HG3 MET 1 HG1 MET 1 9.461 -14.516 2.695 7 HE1 MET 1 HE1 MET 1 8.826 -13.318 5.018 8 HE2 MET 1 HE2 MET 1 10.573 -13.513 4.878 9 HE3 MET 1 HE3 MET 1 9.765 -13.870 6.405 10 H LEU 2 HN LEU 2 8.640 -16.067 -0.510 11 HA LEU 2 HA LEU 2 10.945 -14.596 -1.609 12 HB2 LEU 2 HB2 LEU 2 8.619 -15.513 -3.276 13 HB3 LEU 2 HB1 LEU 2 10.176 -14.914 -3.818 14 HG LEU 2 HG LEU 2 10.178 -17.410 -2.210 15 HD11 LEU 2 HD11 LEU 2 9.238 -18.776 -3.746 16 HD12 LEU 2 HD12 LEU 2 9.712 -17.757 -5.105 17 HD13 LEU 2 HD13 LEU 2 8.311 -17.325 -4.126 18 HD21 LEU 2 HD21 LEU 2 11.954 -15.942 -3.871 19 HD22 LEU 2 HD22 LEU 2 11.686 -17.522 -4.607 20 HD23 LEU 2 HD23 LEU 2 12.269 -17.410 -2.946 21 H THR 3 HN THR 3 10.731 -12.479 -1.419 22 HA THR 3 HA THR 3 8.162 -11.293 -0.824 23 HB THR 3 HB THR 3 10.353 -9.430 -1.363 24 HG1 THR 3 HG1 THR 3 11.717 -10.973 -0.539 25 HG21 THR 3 HG21 THR 3 9.084 -8.284 0.056 26 HG22 THR 3 HG22 THR 3 9.533 -9.408 1.338 27 HG23 THR 3 HG23 THR 3 8.097 -9.713 0.362 28 HA PRO 4 HA PRO 4 7.297 -10.223 -5.034 29 HB2 PRO 4 HB2 PRO 4 5.256 -8.511 -4.607 30 HB3 PRO 4 HB1 PRO 4 5.091 -10.254 -4.369 31 HG2 PRO 4 HG2 PRO 4 5.522 -8.097 -2.343 32 HG3 PRO 4 HG1 PRO 4 4.457 -9.512 -2.264 33 HD2 PRO 4 HD2 PRO 4 6.903 -9.387 -1.047 34 HD3 PRO 4 HD1 PRO 4 6.149 -10.901 -1.587 35 H ALA 5 HN ALA 5 7.674 -8.578 -6.504 36 HA ALA 5 HA ALA 5 9.381 -6.453 -5.583 37 HB1 ALA 5 HB1 ALA 5 9.794 -5.970 -7.876 38 HB2 ALA 5 HB2 ALA 5 8.369 -6.875 -8.387 39 HB3 ALA 5 HB3 ALA 5 9.757 -7.725 -7.709 40 H PHE 6 HN PHE 6 7.281 -5.787 -4.276 41 HA PHE 6 HA PHE 6 5.312 -4.283 -5.658 42 HB2 PHE 6 HB2 PHE 6 4.520 -3.658 -3.510 43 HB3 PHE 6 HB1 PHE 6 5.114 -5.303 -3.342 44 HD1 PHE 6 HD2 PHE 6 5.877 -1.763 -2.650 45 HD2 PHE 6 HD1 PHE 6 6.894 -5.823 -1.879 46 HE1 PHE 6 HE2 PHE 6 7.330 -1.043 -0.799 47 HE2 PHE 6 HE1 PHE 6 8.347 -5.112 -0.025 48 HZ PHE 6 HZ PHE 6 8.568 -2.719 0.516 49 H ASP 7 HN ASP 7 4.968 -1.908 -5.215 50 HA ASP 7 HA ASP 7 7.368 -0.352 -4.772 51 HB2 ASP 7 HB2 ASP 7 6.348 -0.906 -7.448 52 HB3 ASP 7 HB1 ASP 7 6.448 0.819 -7.109 53 H LEU 8 HN LEU 8 6.950 1.926 -4.554 54 HA LEU 8 HA LEU 8 4.121 2.492 -3.970 55 HB2 LEU 8 HB2 LEU 8 6.293 4.050 -2.664 56 HB3 LEU 8 HB1 LEU 8 4.693 3.645 -2.070 57 HG LEU 8 HG LEU 8 6.745 1.487 -2.380 58 HD11 LEU 8 HD11 LEU 8 6.716 2.382 0.305 59 HD12 LEU 8 HD12 LEU 8 7.071 3.772 -0.721 60 HD13 LEU 8 HD13 LEU 8 8.075 2.325 -0.818 61 HD21 LEU 8 HD21 LEU 8 4.126 1.461 -1.654 62 HD22 LEU 8 HD22 LEU 8 4.923 1.577 -0.085 63 HD23 LEU 8 HD23 LEU 8 5.313 0.248 -1.178 64 H SER 9 HN SER 9 3.202 4.219 -4.841 65 HA SER 9 HA SER 9 4.850 6.292 -6.091 66 HB2 SER 9 HB2 SER 9 3.266 6.258 -8.071 67 HB3 SER 9 HB1 SER 9 4.341 4.864 -7.959 68 HG SER 9 HG SER 9 1.970 4.521 -8.355 69 H GLN 10 HN GLN 10 4.071 8.302 -5.650 70 HA GLN 10 HA GLN 10 1.283 8.473 -4.745 71 HB2 GLN 10 HB2 GLN 10 1.796 9.442 -2.759 72 HB3 GLN 10 HB1 GLN 10 3.256 8.490 -2.967 73 HG2 GLN 10 HG2 GLN 10 4.373 10.375 -2.634 74 HG3 GLN 10 HG1 GLN 10 3.855 10.858 -4.246 75 HE21 GLN 10 HE21 GLN 10 2.029 10.553 -1.234 76 HE22 GLN 10 HE22 GLN 10 1.515 12.201 -1.171 77 H ASP 11 HN ASP 11 0.167 10.280 -5.174 78 HA ASP 11 HA ASP 11 1.384 12.184 -7.045 79 HB2 ASP 11 HB2 ASP 11 -1.358 11.053 -6.724 80 HB3 ASP 11 HB1 ASP 11 -1.217 12.701 -7.327 81 HA PRO 12 HA PRO 12 1.045 15.550 -4.247 82 HB2 PRO 12 HB2 PRO 12 -0.143 17.504 -5.765 83 HB3 PRO 12 HB1 PRO 12 1.560 17.051 -5.876 84 HG2 PRO 12 HG2 PRO 12 -0.734 16.229 -7.607 85 HG3 PRO 12 HG1 PRO 12 0.920 16.671 -8.071 86 HD2 PRO 12 HD2 PRO 12 0.112 14.106 -7.951 87 HD3 PRO 12 HD1 PRO 12 1.765 14.590 -7.517 88 H ASP 13 HN ASP 13 -1.747 14.021 -5.358 89 HA ASP 13 HA ASP 13 -3.328 15.384 -3.300 90 HB2 ASP 13 HB2 ASP 13 -4.302 14.713 -6.081 91 HB3 ASP 13 HB1 ASP 13 -5.326 15.272 -4.765 92 H PHE 14 HN PHE 14 -1.924 12.661 -4.016 93 HA PHE 14 HA PHE 14 -3.628 11.028 -2.436 94 HB2 PHE 14 HB2 PHE 14 -3.448 10.192 -5.339 95 HB3 PHE 14 HB1 PHE 14 -4.307 9.364 -4.051 96 HD1 PHE 14 HD1 PHE 14 -4.322 12.293 -6.267 97 HD2 PHE 14 HD2 PHE 14 -6.484 10.025 -3.389 98 HE1 PHE 14 HE1 PHE 14 -6.378 13.514 -6.854 99 HE2 PHE 14 HE2 PHE 14 -8.541 11.242 -3.967 100 HZ PHE 14 HZ PHE 14 -8.490 12.989 -5.702 101 H LEU 15 HN LEU 15 -2.868 8.714 -2.443 102 HA LEU 15 HA LEU 15 -0.052 8.419 -3.215 103 HB2 LEU 15 HB2 LEU 15 0.080 8.986 -0.887 104 HB3 LEU 15 HB1 LEU 15 -1.227 7.895 -0.484 105 HG LEU 15 HG LEU 15 1.367 7.318 -0.093 106 HD11 LEU 15 HD11 LEU 15 0.700 5.009 0.118 107 HD12 LEU 15 HD12 LEU 15 -0.718 5.295 -0.892 108 HD13 LEU 15 HD13 LEU 15 -0.596 6.058 0.693 109 HD21 LEU 15 HD21 LEU 15 0.919 5.668 -2.508 110 HD22 LEU 15 HD22 LEU 15 2.420 6.261 -1.798 111 HD23 LEU 15 HD23 LEU 15 1.414 7.342 -2.763 112 H THR 16 HN THR 16 -0.093 6.732 -4.638 113 HA THR 16 HA THR 16 -2.054 4.615 -4.154 114 HB THR 16 HB THR 16 -0.430 5.092 -6.656 115 HG1 THR 16 HG1 THR 16 -1.804 6.849 -6.448 116 HG21 THR 16 HG21 THR 16 -1.217 2.863 -6.623 117 HG22 THR 16 HG22 THR 16 -2.338 3.754 -7.653 118 HG23 THR 16 HG23 THR 16 -2.791 3.349 -5.998 119 H ILE 17 HN ILE 17 -1.482 2.578 -3.770 120 HA ILE 17 HA ILE 17 1.392 1.975 -3.588 121 HB ILE 17 HB ILE 17 -0.869 0.537 -2.194 122 HG12 ILE 17 HG12 ILE 17 1.012 2.517 -0.908 123 HG13 ILE 17 HG11 ILE 17 -0.530 3.021 -1.592 124 HG21 ILE 17 HG21 ILE 17 2.086 0.292 -2.225 125 HG22 ILE 17 HG22 ILE 17 0.846 -0.954 -2.085 126 HG23 ILE 17 HG23 ILE 17 1.261 0.038 -0.688 127 HD11 ILE 17 HD11 ILE 17 -0.121 1.047 0.641 128 HD12 ILE 17 HD12 ILE 17 -1.678 1.468 -0.072 129 HD13 ILE 17 HD13 ILE 17 -0.737 2.694 0.780 130 H ALA 18 HN ALA 18 2.121 -0.106 -4.318 131 HA ALA 18 HA ALA 18 0.224 -1.540 -6.037 132 HB1 ALA 18 HB1 ALA 18 2.174 -1.777 -7.702 133 HB2 ALA 18 HB2 ALA 18 2.839 -0.362 -6.887 134 HB3 ALA 18 HB3 ALA 18 1.263 -0.268 -7.672 135 H ILE 19 HN ILE 19 0.162 -3.569 -5.449 136 HA ILE 19 HA ILE 19 2.630 -4.863 -4.483 137 HB ILE 19 HB ILE 19 -0.166 -5.674 -3.704 138 HG12 ILE 19 HG12 ILE 19 1.747 -3.920 -2.145 139 HG13 ILE 19 HG11 ILE 19 0.287 -3.357 -2.952 140 HG21 ILE 19 HG21 ILE 19 2.184 -7.030 -3.499 141 HG22 ILE 19 HG22 ILE 19 0.781 -7.277 -2.458 142 HG23 ILE 19 HG23 ILE 19 2.097 -6.228 -1.930 143 HD11 ILE 19 HD11 ILE 19 0.283 -5.433 -0.782 144 HD12 ILE 19 HD12 ILE 19 -1.099 -4.576 -1.466 145 HD13 ILE 19 HD13 ILE 19 0.084 -3.705 -0.489 146 H ARG 20 HN ARG 20 3.313 -6.540 -5.685 147 HA ARG 20 HA ARG 20 1.442 -7.656 -7.657 148 HB2 ARG 20 HB2 ARG 20 3.442 -6.683 -8.623 149 HB3 ARG 20 HB1 ARG 20 4.462 -7.656 -7.575 150 HG2 ARG 20 HG2 ARG 20 2.870 -9.502 -8.907 151 HG3 ARG 20 HG1 ARG 20 3.296 -8.303 -10.130 152 HD2 ARG 20 HD2 ARG 20 5.516 -8.799 -10.043 153 HD3 ARG 20 HD1 ARG 20 5.459 -9.244 -8.338 154 HE ARG 20 HE ARG 20 5.074 -10.978 -10.600 155 HH11 ARG 20 HH11 ARG 20 4.441 -10.495 -7.211 156 HH12 ARG 20 HH12 ARG 20 4.218 -12.181 -6.878 157 HH21 ARG 20 HH21 ARG 20 4.784 -13.201 -10.175 158 HH22 ARG 20 HH22 ARG 20 4.413 -13.720 -8.565 159 H VAL 21 HN VAL 21 0.586 -9.557 -7.214 160 HA VAL 21 HA VAL 21 2.215 -11.699 -6.132 161 HB VAL 21 HB VAL 21 0.766 -12.205 -4.256 162 HG11 VAL 21 HG11 VAL 21 1.567 -9.306 -4.098 163 HG12 VAL 21 HG12 VAL 21 2.706 -10.647 -3.989 164 HG13 VAL 21 HG13 VAL 21 1.442 -10.463 -2.772 165 HG21 VAL 21 HG21 VAL 21 -0.762 -9.786 -5.183 166 HG22 VAL 21 HG22 VAL 21 -0.922 -10.450 -3.557 167 HG23 VAL 21 HG23 VAL 21 -1.354 -11.432 -4.958 168 H SER 22 HN SER 22 1.690 -13.556 -7.049 169 HA SER 22 HA SER 22 -0.951 -13.815 -8.324 170 HB2 SER 22 HB2 SER 22 0.729 -15.833 -9.317 171 HB3 SER 22 HB1 SER 22 0.229 -14.366 -10.157 172 HG SER 22 HG SER 22 2.421 -14.323 -10.157 173 H TYR 23 HN TYR 23 1.364 -15.218 -6.157 174 HA TYR 23 HA TYR 23 0.167 -17.768 -5.854 175 HB2 TYR 23 HB2 TYR 23 2.082 -16.172 -4.164 176 HB3 TYR 23 HB1 TYR 23 1.502 -17.757 -3.664 177 HD1 TYR 23 HD1 TYR 23 2.512 -16.491 -7.028 178 HD2 TYR 23 HD2 TYR 23 3.305 -19.207 -3.852 179 HE1 TYR 23 HE1 TYR 23 4.272 -17.549 -8.382 180 HE2 TYR 23 HE2 TYR 23 5.068 -20.274 -5.196 181 HH TYR 23 HH TYR 23 5.366 -20.018 -8.375 182 H ALA 24 HN ALA 24 -0.879 -14.735 -4.959 183 HA ALA 24 HA ALA 24 -1.908 -14.529 -2.557 184 HB1 ALA 24 HB1 ALA 24 -3.262 -13.040 -3.491 185 HB2 ALA 24 HB2 ALA 24 -4.212 -14.315 -4.254 186 HB3 ALA 24 HB3 ALA 24 -2.795 -13.662 -5.074 187 H ARG 25 HN ARG 25 -2.239 -16.258 -1.274 188 HA ARG 25 HA ARG 25 -3.949 -18.442 -2.141 189 HB2 ARG 25 HB2 ARG 25 -1.739 -18.229 -0.437 190 HB3 ARG 25 HB1 ARG 25 -3.097 -18.598 0.614 191 HG2 ARG 25 HG2 ARG 25 -3.529 -20.390 -1.336 192 HG3 ARG 25 HG1 ARG 25 -1.771 -20.254 -1.425 193 HD2 ARG 25 HD2 ARG 25 -1.594 -20.754 0.945 194 HD3 ARG 25 HD1 ARG 25 -3.349 -20.830 1.079 195 HE ARG 25 HE ARG 25 -2.706 -22.669 -0.845 196 HH11 ARG 25 HH11 ARG 25 -1.817 -22.130 2.481 197 HH12 ARG 25 HH12 ARG 25 -1.571 -23.811 2.822 198 HH21 ARG 25 HH21 ARG 25 -2.386 -24.884 -0.404 199 HH22 ARG 25 HH22 ARG 25 -1.894 -25.376 1.182 200 H VAL 26 HN VAL 26 -4.863 -15.598 -1.341 201 HA VAL 26 HA VAL 26 -6.963 -16.522 0.506 202 HB VAL 26 HB VAL 26 -7.081 -14.039 1.207 203 HG11 VAL 26 HG11 VAL 26 -4.588 -15.001 2.348 204 HG12 VAL 26 HG12 VAL 26 -5.817 -16.262 2.258 205 HG13 VAL 26 HG13 VAL 26 -6.160 -14.756 3.110 206 HG21 VAL 26 HG21 VAL 26 -5.378 -13.476 -0.667 207 HG22 VAL 26 HG22 VAL 26 -4.171 -14.014 0.501 208 HG23 VAL 26 HG23 VAL 26 -5.241 -12.667 0.893 209 H SER 27 HN SER 27 -8.994 -16.243 -0.158 210 HA SER 27 HA SER 27 -9.628 -15.489 -2.762 211 HB2 SER 27 HB2 SER 27 -11.292 -15.758 -0.263 212 HB3 SER 27 HB1 SER 27 -12.012 -15.271 -1.798 213 HG SER 27 HG SER 27 -11.956 -17.276 -2.389 214 H GLU 28 HN GLU 28 -9.526 -13.622 0.213 215 HA GLU 28 HA GLU 28 -9.820 -11.175 -1.381 216 HB2 GLU 28 HB2 GLU 28 -11.313 -10.193 0.188 217 HB3 GLU 28 HB1 GLU 28 -11.956 -11.788 -0.177 218 HG2 GLU 28 HG2 GLU 28 -10.699 -12.558 1.917 219 HG3 GLU 28 HG1 GLU 28 -10.588 -10.843 2.310 220 H PHE 29 HN PHE 29 -8.677 -9.382 -0.600 221 HA PHE 29 HA PHE 29 -6.571 -10.062 1.324 222 HB2 PHE 29 HB2 PHE 29 -6.450 -7.538 -0.247 223 HB3 PHE 29 HB1 PHE 29 -5.158 -8.645 0.205 224 HD1 PHE 29 HD2 PHE 29 -6.522 -11.167 -0.852 225 HD2 PHE 29 HD1 PHE 29 -5.884 -7.313 -2.540 226 HE1 PHE 29 HE2 PHE 29 -6.576 -12.151 -3.105 227 HE2 PHE 29 HE1 PHE 29 -5.938 -8.290 -4.798 228 HZ PHE 29 HZ PHE 29 -6.282 -10.712 -5.083 229 H ASP 30 HN ASP 30 -5.863 -8.358 2.823 230 HA ASP 30 HA ASP 30 -8.163 -6.771 3.762 231 HB2 ASP 30 HB2 ASP 30 -5.867 -7.583 5.525 232 HB3 ASP 30 HB1 ASP 30 -7.508 -7.134 5.982 233 H VAL 31 HN VAL 31 -7.955 -4.656 3.523 234 HA VAL 31 HA VAL 31 -5.245 -3.493 3.542 235 HB VAL 31 HB VAL 31 -7.596 -2.251 2.130 236 HG11 VAL 31 HG11 VAL 31 -5.679 -0.813 2.645 237 HG12 VAL 31 HG12 VAL 31 -5.867 -1.050 0.907 238 HG13 VAL 31 HG13 VAL 31 -4.616 -1.928 1.786 239 HG21 VAL 31 HG21 VAL 31 -7.347 -4.409 1.114 240 HG22 VAL 31 HG22 VAL 31 -5.597 -4.218 1.026 241 HG23 VAL 31 HG23 VAL 31 -6.645 -3.205 0.034 242 H TYR 32 HN TYR 32 -4.895 -2.367 5.332 243 HA TYR 32 HA TYR 32 -7.099 -0.749 6.429 244 HB2 TYR 32 HB2 TYR 32 -4.958 -2.180 8.021 245 HB3 TYR 32 HB1 TYR 32 -6.242 -1.175 8.683 246 HD1 TYR 32 HD2 TYR 32 -8.603 -1.955 8.559 247 HD2 TYR 32 HD1 TYR 32 -5.350 -4.452 7.430 248 HE1 TYR 32 HE2 TYR 32 -10.065 -3.924 8.727 249 HE2 TYR 32 HE1 TYR 32 -6.803 -6.429 7.593 250 HH TYR 32 HH TYR 32 -9.210 -6.823 9.114 251 H PHE 33 HN PHE 33 -6.666 1.352 6.363 252 HA PHE 33 HA PHE 33 -3.858 2.204 6.575 253 HB2 PHE 33 HB2 PHE 33 -4.412 4.100 5.077 254 HB3 PHE 33 HB1 PHE 33 -4.583 2.535 4.290 255 HD1 PHE 33 HD2 PHE 33 -6.428 5.348 5.791 256 HD2 PHE 33 HD1 PHE 33 -6.666 1.808 3.442 257 HE1 PHE 33 HE2 PHE 33 -8.730 5.932 5.149 258 HE2 PHE 33 HE1 PHE 33 -8.969 2.385 2.797 259 HZ PHE 33 HZ PHE 33 -10.004 4.450 3.650 260 H GLU 34 HN GLU 34 -3.491 3.347 8.346 261 HA GLU 34 HA GLU 34 -5.547 5.206 9.306 262 HB2 GLU 34 HB2 GLU 34 -4.914 4.476 11.669 263 HB3 GLU 34 HB1 GLU 34 -5.922 3.375 10.740 264 HG2 GLU 34 HG2 GLU 34 -3.528 2.397 10.090 265 HG3 GLU 34 HG1 GLU 34 -3.135 3.075 11.669 266 H GLY 35 HN GLY 35 -4.648 7.148 9.273 267 HA2 GLY 35 HA2 GLY 35 -3.012 8.782 9.237 268 HA3 GLY 35 HA1 GLY 35 -2.689 8.133 10.835 269 H SER 36 HN SER 36 -1.851 7.795 7.419 270 HA SER 36 HA SER 36 0.070 7.214 6.362 271 HB2 SER 36 HB2 SER 36 0.838 8.771 8.608 272 HB3 SER 36 HB1 SER 36 2.010 7.464 8.447 273 HG SER 36 HG SER 36 2.085 9.623 7.122 274 H ASP 37 HN ASP 37 -1.329 5.294 8.451 275 HA ASP 37 HA ASP 37 0.858 3.323 8.521 276 HB2 ASP 37 HB2 ASP 37 -0.573 4.100 10.635 277 HB3 ASP 37 HB1 ASP 37 -1.671 2.864 10.031 278 H PHE 38 HN PHE 38 0.764 2.226 6.671 279 HA PHE 38 HA PHE 38 -1.857 1.263 5.742 280 HB2 PHE 38 HB2 PHE 38 -0.702 2.621 4.101 281 HB3 PHE 38 HB1 PHE 38 0.735 1.614 4.230 282 HD1 PHE 38 HD1 PHE 38 -2.740 1.744 3.034 283 HD2 PHE 38 HD2 PHE 38 0.905 -0.453 3.066 284 HE1 PHE 38 HE1 PHE 38 -3.591 0.315 1.221 285 HE2 PHE 38 HE2 PHE 38 0.060 -1.886 1.252 286 HZ PHE 38 HZ PHE 38 -2.190 -1.503 0.327 287 H LYS 39 HN LYS 39 -2.338 -0.787 6.039 288 HA LYS 39 HA LYS 39 -0.148 -2.748 6.233 289 HB2 LYS 39 HB2 LYS 39 -2.817 -3.026 7.609 290 HB3 LYS 39 HB1 LYS 39 -1.356 -3.966 7.880 291 HG2 LYS 39 HG2 LYS 39 -0.307 -2.213 9.028 292 HG3 LYS 39 HG1 LYS 39 -1.471 -1.023 8.441 293 HD2 LYS 39 HD2 LYS 39 -2.624 -1.326 10.322 294 HD3 LYS 39 HD1 LYS 39 -2.988 -2.963 9.768 295 HE2 LYS 39 HE2 LYS 39 -0.731 -3.612 10.773 296 HE3 LYS 39 HE1 LYS 39 -0.777 -2.047 11.584 297 HZ1 LYS 39 HZ1 LYS 39 -2.893 -2.692 12.588 298 HZ2 LYS 39 HZ2 LYS 39 -1.657 -3.767 13.010 299 HZ3 LYS 39 HZ3 LYS 39 -2.799 -4.209 11.843 300 H PHE 40 HN PHE 40 -0.279 -4.517 4.967 301 HA PHE 40 HA PHE 40 -2.802 -5.013 3.533 302 HB2 PHE 40 HB2 PHE 40 -1.431 -3.968 1.896 303 HB3 PHE 40 HB1 PHE 40 -0.014 -4.875 2.401 304 HD1 PHE 40 HD2 PHE 40 -3.275 -5.143 0.699 305 HD2 PHE 40 HD1 PHE 40 0.461 -7.012 1.509 306 HE1 PHE 40 HE2 PHE 40 -3.762 -6.851 -1.005 307 HE2 PHE 40 HE1 PHE 40 -0.019 -8.721 -0.192 308 HZ PHE 40 HZ PHE 40 -2.134 -8.643 -1.452 309 H TYR 41 HN TYR 41 -3.515 -6.941 4.225 310 HA TYR 41 HA TYR 41 -1.520 -9.025 4.776 311 HB2 TYR 41 HB2 TYR 41 -4.371 -8.766 5.748 312 HB3 TYR 41 HB1 TYR 41 -3.285 -10.096 6.138 313 HD1 TYR 41 HD2 TYR 41 -1.228 -9.635 7.494 314 HD2 TYR 41 HD1 TYR 41 -4.281 -6.724 6.940 315 HE1 TYR 41 HE2 TYR 41 -0.370 -8.376 9.424 316 HE2 TYR 41 HE1 TYR 41 -3.431 -5.457 8.867 317 HH TYR 41 HH TYR 41 -1.475 -6.656 11.139 318 H ALA 42 HN ALA 42 -1.223 -10.267 3.077 319 HA ALA 42 HA ALA 42 -3.568 -11.505 1.814 320 HB1 ALA 42 HB1 ALA 42 -1.208 -10.259 0.423 321 HB2 ALA 42 HB2 ALA 42 -2.926 -9.993 0.127 322 HB3 ALA 42 HB3 ALA 42 -2.177 -11.520 -0.338 323 H LYS 43 HN LYS 43 -3.406 -13.551 2.578 324 HA LYS 43 HA LYS 43 -2.453 -15.517 3.291 325 HB2 LYS 43 HB2 LYS 43 -1.679 -16.668 1.491 326 HB3 LYS 43 HB1 LYS 43 -2.128 -15.217 0.618 327 HG2 LYS 43 HG2 LYS 43 0.077 -14.490 0.435 328 HG3 LYS 43 HG1 LYS 43 0.636 -15.552 1.724 329 HD2 LYS 43 HD2 LYS 43 0.697 -17.396 0.375 330 HD3 LYS 43 HD1 LYS 43 -0.584 -16.797 -0.678 331 HE2 LYS 43 HE2 LYS 43 2.151 -15.564 -0.570 332 HE3 LYS 43 HE1 LYS 43 1.738 -16.875 -1.673 333 HZ1 LYS 43 HZ1 LYS 43 -0.165 -15.355 -2.392 334 HZ2 LYS 43 HZ2 LYS 43 1.394 -14.958 -2.915 335 HZ3 LYS 43 HZ3 LYS 43 0.695 -14.113 -1.627 336 HA PRO 44 HA PRO 44 1.343 -15.539 5.672 337 HB2 PRO 44 HB2 PRO 44 3.131 -16.179 3.395 338 HB3 PRO 44 HB1 PRO 44 3.011 -16.942 4.980 339 HG2 PRO 44 HG2 PRO 44 1.903 -17.888 2.577 340 HG3 PRO 44 HG1 PRO 44 1.563 -18.488 4.206 341 HD2 PRO 44 HD2 PRO 44 -0.219 -17.164 2.473 342 HD3 PRO 44 HD1 PRO 44 -0.498 -17.558 4.174 343 H TYR 45 HN TYR 45 1.468 -14.058 2.481 344 HA TYR 45 HA TYR 45 3.617 -12.279 2.956 345 HB2 TYR 45 HB2 TYR 45 1.295 -12.020 1.039 346 HB3 TYR 45 HB1 TYR 45 2.740 -11.025 1.008 347 HD1 TYR 45 HD1 TYR 45 4.237 -13.848 1.901 348 HD2 TYR 45 HD2 TYR 45 1.969 -12.412 -1.404 349 HE1 TYR 45 HE1 TYR 45 5.336 -15.491 0.439 350 HE2 TYR 45 HE2 TYR 45 3.064 -14.051 -2.874 351 HH TYR 45 HH TYR 45 4.769 -16.670 -1.760 352 H PHE 46 HN PHE 46 3.726 -10.475 4.143 353 HA PHE 46 HA PHE 46 1.241 -9.002 4.704 354 HB2 PHE 46 HB2 PHE 46 3.120 -8.659 6.857 355 HB3 PHE 46 HB1 PHE 46 1.452 -9.212 6.921 356 HD1 PHE 46 HD2 PHE 46 4.815 -10.518 5.956 357 HD2 PHE 46 HD1 PHE 46 1.064 -11.270 7.822 358 HE1 PHE 46 HE2 PHE 46 5.595 -12.759 6.614 359 HE2 PHE 46 HE1 PHE 46 1.839 -13.510 8.486 360 HZ PHE 46 HZ PHE 46 4.106 -14.256 7.883 361 H LEU 47 HN LEU 47 1.354 -6.889 4.230 362 HA LEU 47 HA LEU 47 4.034 -5.740 3.809 363 HB2 LEU 47 HB2 LEU 47 1.612 -5.722 2.162 364 HB3 LEU 47 HB1 LEU 47 2.397 -4.164 2.314 365 HG LEU 47 HG LEU 47 3.523 -6.700 1.154 366 HD11 LEU 47 HD11 LEU 47 3.567 -3.982 -0.082 367 HD12 LEU 47 HD12 LEU 47 2.100 -4.959 -0.143 368 HD13 LEU 47 HD13 LEU 47 3.595 -5.566 -0.855 369 HD21 LEU 47 HD21 LEU 47 4.919 -4.477 2.454 370 HD22 LEU 47 HD22 LEU 47 5.487 -4.846 0.827 371 HD23 LEU 47 HD23 LEU 47 5.481 -6.102 2.066 372 H ARG 48 HN ARG 48 4.530 -4.367 5.369 373 HA ARG 48 HA ARG 48 2.439 -2.544 6.371 374 HB2 ARG 48 HB2 ARG 48 3.129 -3.930 8.185 375 HB3 ARG 48 HB1 ARG 48 4.827 -3.745 7.769 376 HG2 ARG 48 HG2 ARG 48 4.135 -1.167 8.206 377 HG3 ARG 48 HG1 ARG 48 3.061 -1.998 9.332 378 HD2 ARG 48 HD2 ARG 48 5.801 -3.013 9.338 379 HD3 ARG 48 HD1 ARG 48 5.669 -1.323 9.823 380 HE ARG 48 HE ARG 48 4.579 -1.982 11.741 381 HH11 ARG 48 HH11 ARG 48 4.856 -4.669 9.548 382 HH12 ARG 48 HH12 ARG 48 4.327 -5.841 10.709 383 HH21 ARG 48 HH21 ARG 48 3.883 -3.516 13.282 384 HH22 ARG 48 HH22 ARG 48 3.774 -5.185 12.832 385 H LEU 49 HN LEU 49 2.692 -0.576 5.519 386 HA LEU 49 HA LEU 49 5.435 0.455 5.197 387 HB2 LEU 49 HB2 LEU 49 3.162 1.323 3.447 388 HB3 LEU 49 HB1 LEU 49 4.886 1.470 3.161 389 HG LEU 49 HG LEU 49 3.651 -1.249 3.312 390 HD11 LEU 49 HD11 LEU 49 2.379 0.349 1.723 391 HD12 LEU 49 HD12 LEU 49 2.895 -1.229 1.128 392 HD13 LEU 49 HD13 LEU 49 3.818 0.214 0.711 393 HD21 LEU 49 HD21 LEU 49 5.463 -1.687 1.641 394 HD22 LEU 49 HD22 LEU 49 6.034 -1.188 3.233 395 HD23 LEU 49 HD23 LEU 49 6.017 -0.033 1.900 396 H THR 50 HN THR 50 5.873 2.288 6.219 397 HA THR 50 HA THR 50 3.671 3.754 7.476 398 HB THR 50 HB THR 50 6.346 4.683 8.152 399 HG1 THR 50 HG1 THR 50 7.033 2.578 7.930 400 HG21 THR 50 HG21 THR 50 4.016 4.897 9.331 401 HG22 THR 50 HG22 THR 50 5.493 4.774 10.286 402 HG23 THR 50 HG23 THR 50 4.472 3.355 10.054 403 H LEU 51 HN LEU 51 2.902 5.389 6.308 404 HA LEU 51 HA LEU 51 4.494 6.745 4.339 405 HB2 LEU 51 HB2 LEU 51 1.702 7.284 5.351 406 HB3 LEU 51 HB1 LEU 51 2.445 8.101 3.991 407 HG LEU 51 HG LEU 51 1.716 5.181 4.177 408 HD11 LEU 51 HD11 LEU 51 0.787 6.941 1.993 409 HD12 LEU 51 HD12 LEU 51 0.082 7.209 3.587 410 HD13 LEU 51 HD13 LEU 51 -0.040 5.624 2.823 411 HD21 LEU 51 HD21 LEU 51 3.815 5.335 3.016 412 HD22 LEU 51 HD22 LEU 51 3.215 6.664 2.023 413 HD23 LEU 51 HD23 LEU 51 2.531 5.048 1.841 414 HA PRO 52 HA PRO 52 5.760 10.125 6.880 415 HB2 PRO 52 HB2 PRO 52 6.222 11.917 4.784 416 HB3 PRO 52 HB1 PRO 52 7.352 10.705 5.385 417 HG2 PRO 52 HG2 PRO 52 6.056 10.765 2.858 418 HG3 PRO 52 HG1 PRO 52 7.102 9.493 3.502 419 HD2 PRO 52 HD2 PRO 52 4.157 9.608 3.338 420 HD3 PRO 52 HD1 PRO 52 5.231 8.200 3.442 421 H GLY 53 HN GLY 53 3.048 10.498 4.759 422 HA2 GLY 53 HA2 GLY 53 2.349 13.025 6.114 423 HA3 GLY 53 HA1 GLY 53 1.788 12.579 4.511 424 H ARG 54 HN ARG 54 -0.390 12.639 4.859 425 HA ARG 54 HA ARG 54 -1.454 10.540 6.601 426 HB2 ARG 54 HB2 ARG 54 -2.105 13.465 6.743 427 HB3 ARG 54 HB1 ARG 54 -3.306 12.265 7.200 428 HG2 ARG 54 HG2 ARG 54 -2.417 12.265 9.225 429 HG3 ARG 54 HG1 ARG 54 -0.985 11.501 8.533 430 HD2 ARG 54 HD2 ARG 54 0.047 13.635 8.171 431 HD3 ARG 54 HD1 ARG 54 -1.425 14.479 8.645 432 HE ARG 54 HE ARG 54 -0.310 12.752 10.672 433 HH11 ARG 54 HH11 ARG 54 -0.392 15.956 9.312 434 HH12 ARG 54 HH12 ARG 54 0.177 16.723 10.757 435 HH21 ARG 54 HH21 ARG 54 0.436 13.750 12.579 436 HH22 ARG 54 HH22 ARG 54 0.649 15.469 12.615 437 H ILE 55 HN ILE 55 -3.089 9.433 5.718 438 HA ILE 55 HA ILE 55 -4.255 10.481 3.219 439 HB ILE 55 HB ILE 55 -3.822 7.647 4.166 440 HG12 ILE 55 HG12 ILE 55 -1.892 8.825 3.137 441 HG13 ILE 55 HG11 ILE 55 -2.427 7.435 2.199 442 HG21 ILE 55 HG21 ILE 55 -5.067 8.297 1.530 443 HG22 ILE 55 HG22 ILE 55 -6.069 8.157 2.973 444 HG23 ILE 55 HG23 ILE 55 -5.094 6.790 2.442 445 HD11 ILE 55 HD11 ILE 55 -1.890 9.835 1.141 446 HD12 ILE 55 HD12 ILE 55 -3.617 10.019 1.450 447 HD13 ILE 55 HD13 ILE 55 -3.037 8.693 0.441 448 H VAL 56 HN VAL 56 -6.351 11.067 3.332 449 HA VAL 56 HA VAL 56 -7.859 10.822 5.670 450 HB VAL 56 HB VAL 56 -8.232 12.530 3.890 451 HG11 VAL 56 HG11 VAL 56 -8.419 10.385 2.208 452 HG12 VAL 56 HG12 VAL 56 -8.923 12.029 1.824 453 HG13 VAL 56 HG13 VAL 56 -10.107 10.856 2.404 454 HG21 VAL 56 HG21 VAL 56 -10.865 11.224 4.283 455 HG22 VAL 56 HG22 VAL 56 -10.370 12.891 4.577 456 HG23 VAL 56 HG23 VAL 56 -9.932 11.625 5.724 457 H GLU 57 HN GLU 57 -9.876 9.750 6.019 458 HA GLU 57 HA GLU 57 -10.059 7.140 4.662 459 HB2 GLU 57 HB2 GLU 57 -10.490 6.055 6.704 460 HB3 GLU 57 HB1 GLU 57 -9.145 7.133 7.045 461 HG2 GLU 57 HG2 GLU 57 -11.175 8.748 7.699 462 HG3 GLU 57 HG1 GLU 57 -11.920 7.187 8.039 463 H ASN 58 HN ASN 58 -11.997 6.572 3.905 464 HA ASN 58 HA ASN 58 -14.460 7.505 5.008 465 HB2 ASN 58 HB2 ASN 58 -13.345 8.813 2.560 466 HB3 ASN 58 HB1 ASN 58 -15.084 8.560 2.672 467 HD21 ASN 58 HD21 ASN 58 -12.619 10.651 3.326 468 HD22 ASN 58 HD22 ASN 58 -13.395 11.642 4.509 469 H GLY 59 HN GLY 59 -12.734 5.978 2.351 470 HA2 GLY 59 HA2 GLY 59 -13.315 3.661 1.851 471 HA3 GLY 59 HA1 GLY 59 -15.001 4.109 2.066 472 H SER 60 HN SER 60 -13.573 6.635 0.530 473 HA SER 60 HA SER 60 -14.781 5.947 -1.990 474 HB2 SER 60 HB2 SER 60 -14.345 8.314 -0.681 475 HB3 SER 60 HB1 SER 60 -13.075 8.344 -1.904 476 HG SER 60 HG SER 60 -14.755 7.897 -3.458 477 H GLU 61 HN GLU 61 -11.559 7.291 -1.343 478 HA GLU 61 HA GLU 61 -9.700 7.151 -2.762 479 HB2 GLU 61 HB2 GLU 61 -9.697 4.273 -2.004 480 HB3 GLU 61 HB1 GLU 61 -8.414 5.469 -1.880 481 HG2 GLU 61 HG2 GLU 61 -8.852 5.614 0.280 482 HG3 GLU 61 HG1 GLU 61 -10.399 6.349 -0.136 483 H GLN 62 HN GLN 62 -8.870 4.409 -3.774 484 HA GLN 62 HA GLN 62 -10.738 3.753 -5.842 485 HB2 GLN 62 HB2 GLN 62 -8.356 5.467 -6.423 486 HB3 GLN 62 HB1 GLN 62 -8.865 4.280 -7.615 487 HG2 GLN 62 HG2 GLN 62 -11.184 5.339 -7.398 488 HG3 GLN 62 HG1 GLN 62 -10.352 6.669 -6.595 489 HE21 GLN 62 HE21 GLN 62 -8.681 7.775 -7.783 490 HE22 GLN 62 HE22 GLN 62 -8.775 7.866 -9.506 491 H GLY 63 HN GLY 63 -10.419 1.673 -6.470 492 HA2 GLY 63 HA2 GLY 63 -7.768 0.494 -5.946 493 HA3 GLY 63 HA1 GLY 63 -9.218 -0.288 -5.340 494 H SER 64 HN SER 64 -7.045 -0.979 -7.368 495 HA SER 64 HA SER 64 -8.857 -2.206 -9.276 496 HB2 SER 64 HB2 SER 64 -6.544 -1.101 -10.672 497 HB3 SER 64 HB1 SER 64 -8.251 -1.049 -11.111 498 HG SER 64 HG SER 64 -8.459 0.841 -10.149 499 H TYR 65 HN TYR 65 -8.334 -4.265 -8.827 500 HA TYR 65 HA TYR 65 -5.483 -4.979 -8.708 501 HB2 TYR 65 HB2 TYR 65 -6.458 -5.691 -6.700 502 HB3 TYR 65 HB1 TYR 65 -7.941 -6.208 -7.493 503 HD1 TYR 65 HD2 TYR 65 -4.287 -6.994 -7.690 504 HD2 TYR 65 HD1 TYR 65 -8.271 -8.479 -7.604 505 HE1 TYR 65 HE2 TYR 65 -3.424 -9.293 -7.792 506 HE2 TYR 65 HE1 TYR 65 -7.421 -10.784 -7.705 507 HH TYR 65 HH TYR 65 -5.554 -12.038 -8.205 508 H ASP 66 HN ASP 66 -4.625 -6.428 -10.095 509 HA ASP 66 HA ASP 66 -6.441 -7.633 -12.077 510 HB2 ASP 66 HB2 ASP 66 -4.539 -5.741 -12.619 511 HB3 ASP 66 HB1 ASP 66 -3.653 -7.233 -12.920 512 H ALA 67 HN ALA 67 -6.514 -9.758 -11.905 513 HA ALA 67 HA ALA 67 -4.532 -11.226 -10.436 514 HB1 ALA 67 HB1 ALA 67 -7.119 -11.905 -11.741 515 HB2 ALA 67 HB2 ALA 67 -6.578 -12.184 -10.086 516 HB3 ALA 67 HB3 ALA 67 -5.982 -13.207 -11.391 517 H ASP 68 HN ASP 68 -5.526 -11.007 -13.829 518 HA ASP 68 HA ASP 68 -3.917 -12.966 -14.928 519 HB2 ASP 68 HB2 ASP 68 -4.686 -10.277 -16.084 520 HB3 ASP 68 HB1 ASP 68 -4.023 -11.615 -17.012 521 H LYS 69 HN LYS 69 -3.141 -9.560 -14.292 522 HA LYS 69 HA LYS 69 -0.363 -10.016 -15.044 523 HB2 LYS 69 HB2 LYS 69 -1.524 -7.957 -15.785 524 HB3 LYS 69 HB1 LYS 69 -1.722 -7.486 -14.103 525 HG2 LYS 69 HG2 LYS 69 0.604 -7.176 -13.817 526 HG3 LYS 69 HG1 LYS 69 0.968 -7.969 -15.350 527 HD2 LYS 69 HD2 LYS 69 1.165 -5.511 -15.478 528 HD3 LYS 69 HD1 LYS 69 -0.057 -6.154 -16.577 529 HE2 LYS 69 HE2 LYS 69 -1.469 -4.675 -15.694 530 HE3 LYS 69 HE1 LYS 69 -1.446 -5.656 -14.230 531 HZ1 LYS 69 HZ1 LYS 69 -0.274 -4.124 -13.143 532 HZ2 LYS 69 HZ2 LYS 69 -0.710 -3.060 -14.384 533 HZ3 LYS 69 HZ3 LYS 69 0.782 -3.853 -14.438 534 H GLY 70 HN GLY 70 -2.312 -10.025 -12.252 535 HA2 GLY 70 HA2 GLY 70 -1.809 -10.311 -10.028 536 HA3 GLY 70 HA1 GLY 70 -0.193 -10.768 -10.550 537 H ILE 71 HN ILE 71 -2.189 -7.827 -10.328 538 HA ILE 71 HA ILE 71 -0.109 -6.529 -8.771 539 HB ILE 71 HB ILE 71 -0.999 -5.422 -11.434 540 HG12 ILE 71 HG12 ILE 71 1.521 -6.689 -10.425 541 HG13 ILE 71 HG11 ILE 71 0.685 -6.937 -11.954 542 HG21 ILE 71 HG21 ILE 71 0.728 -4.208 -9.285 543 HG22 ILE 71 HG22 ILE 71 -0.843 -3.630 -9.840 544 HG23 ILE 71 HG23 ILE 71 0.553 -3.561 -10.916 545 HD11 ILE 71 HD11 ILE 71 1.438 -4.742 -12.715 546 HD12 ILE 71 HD12 ILE 71 2.791 -5.788 -12.284 547 HD13 ILE 71 HD13 ILE 71 2.282 -4.506 -11.185 548 H PHE 72 HN PHE 72 -1.085 -5.516 -7.157 549 HA PHE 72 HA PHE 72 -3.859 -4.612 -7.518 550 HB2 PHE 72 HB2 PHE 72 -3.745 -6.132 -5.702 551 HB3 PHE 72 HB1 PHE 72 -2.275 -5.392 -5.075 552 HD1 PHE 72 HD2 PHE 72 -5.209 -3.486 -6.211 553 HD2 PHE 72 HD1 PHE 72 -3.062 -5.009 -2.867 554 HE1 PHE 72 HE2 PHE 72 -6.563 -2.083 -4.709 555 HE2 PHE 72 HE1 PHE 72 -4.411 -3.609 -1.359 556 HZ PHE 72 HZ PHE 72 -6.164 -2.143 -2.279 557 H THR 73 HN THR 73 -4.000 -2.530 -8.025 558 HA THR 73 HA THR 73 -2.143 -0.639 -6.732 559 HB THR 73 HB THR 73 -3.489 0.554 -8.965 560 HG1 THR 73 HG1 THR 73 -2.956 -0.786 -10.604 561 HG21 THR 73 HG21 THR 73 -0.955 0.466 -9.751 562 HG22 THR 73 HG22 THR 73 -0.711 0.030 -8.060 563 HG23 THR 73 HG23 THR 73 -1.499 1.552 -8.472 564 H ILE 74 HN ILE 74 -3.060 0.548 -5.188 565 HA ILE 74 HA ILE 74 -5.870 1.360 -5.545 566 HB ILE 74 HB ILE 74 -5.705 -0.434 -3.851 567 HG12 ILE 74 HG12 ILE 74 -6.541 1.304 -1.906 568 HG13 ILE 74 HG11 ILE 74 -6.726 2.281 -3.359 569 HG21 ILE 74 HG21 ILE 74 -4.238 1.481 -2.075 570 HG22 ILE 74 HG22 ILE 74 -3.365 0.373 -3.134 571 HG23 ILE 74 HG23 ILE 74 -4.453 -0.260 -1.898 572 HD11 ILE 74 HD11 ILE 74 -7.813 -0.179 -4.034 573 HD12 ILE 74 HD12 ILE 74 -8.689 1.298 -3.635 574 HD13 ILE 74 HD13 ILE 74 -8.345 0.111 -2.379 575 H ARG 75 HN ARG 75 -6.068 3.483 -5.629 576 HA ARG 75 HA ARG 75 -3.950 5.206 -4.635 577 HB2 ARG 75 HB2 ARG 75 -6.505 6.240 -5.803 578 HB3 ARG 75 HB1 ARG 75 -4.883 6.906 -5.913 579 HG2 ARG 75 HG2 ARG 75 -4.478 4.645 -7.259 580 HG3 ARG 75 HG1 ARG 75 -6.206 4.837 -7.562 581 HD2 ARG 75 HD2 ARG 75 -3.951 6.299 -8.657 582 HD3 ARG 75 HD1 ARG 75 -5.614 6.195 -9.232 583 HE ARG 75 HE ARG 75 -5.955 7.883 -7.252 584 HH11 ARG 75 HH11 ARG 75 -3.349 7.784 -9.570 585 HH12 ARG 75 HH12 ARG 75 -3.047 9.487 -9.488 586 HH21 ARG 75 HH21 ARG 75 -5.559 10.118 -7.143 587 HH22 ARG 75 HH22 ARG 75 -4.302 10.812 -8.112 588 H LEU 76 HN LEU 76 -4.159 6.697 -3.001 589 HA LEU 76 HA LEU 76 -6.644 6.578 -1.436 590 HB2 LEU 76 HB2 LEU 76 -3.848 6.512 -0.307 591 HB3 LEU 76 HB1 LEU 76 -5.335 6.505 0.609 592 HG LEU 76 HG LEU 76 -5.503 4.318 -1.154 593 HD11 LEU 76 HD11 LEU 76 -2.770 4.796 -0.102 594 HD12 LEU 76 HD12 LEU 76 -3.292 4.004 -1.590 595 HD13 LEU 76 HD13 LEU 76 -3.398 3.148 -0.051 596 HD21 LEU 76 HD21 LEU 76 -6.042 4.888 1.460 597 HD22 LEU 76 HD22 LEU 76 -4.701 3.752 1.602 598 HD23 LEU 76 HD23 LEU 76 -6.160 3.289 0.725 599 HA PRO 77 HA PRO 77 -6.296 11.010 -1.821 600 HB2 PRO 77 HB2 PRO 77 -8.318 11.587 -0.055 601 HB3 PRO 77 HB1 PRO 77 -8.568 11.156 -1.749 602 HG2 PRO 77 HG2 PRO 77 -8.825 9.464 0.694 603 HG3 PRO 77 HG1 PRO 77 -9.814 9.475 -0.774 604 HD2 PRO 77 HD2 PRO 77 -7.927 7.592 -0.280 605 HD3 PRO 77 HD1 PRO 77 -8.347 8.128 -1.919 606 H LYS 78 HN LYS 78 -5.662 12.812 -0.529 607 HA LYS 78 HA LYS 78 -4.384 12.010 1.985 608 HB2 LYS 78 HB2 LYS 78 -3.759 14.020 -0.119 609 HB3 LYS 78 HB1 LYS 78 -3.292 14.398 1.534 610 HG2 LYS 78 HG2 LYS 78 -2.024 12.302 1.644 611 HG3 LYS 78 HG1 LYS 78 -2.471 11.957 -0.028 612 HD2 LYS 78 HD2 LYS 78 -0.887 14.344 0.921 613 HD3 LYS 78 HD1 LYS 78 -0.223 12.918 0.121 614 HE2 LYS 78 HE2 LYS 78 -0.589 13.897 -1.837 615 HE3 LYS 78 HE1 LYS 78 -2.319 13.836 -1.509 616 HZ1 LYS 78 HZ1 LYS 78 -1.623 16.082 -2.002 617 HZ2 LYS 78 HZ2 LYS 78 -0.483 16.043 -0.754 618 HZ3 LYS 78 HZ3 LYS 78 -2.133 15.981 -0.391 619 H GLU 79 HN GLU 79 -4.392 13.513 3.772 620 HA GLU 79 HA GLU 79 -7.009 14.701 4.136 621 HB2 GLU 79 HB2 GLU 79 -6.419 13.582 6.058 622 HB3 GLU 79 HB1 GLU 79 -4.715 13.974 5.894 623 HG2 GLU 79 HG2 GLU 79 -5.111 16.222 6.660 624 HG3 GLU 79 HG1 GLU 79 -6.850 15.933 6.706 625 H THR 80 HN THR 80 -4.261 15.761 2.743 626 HA THR 80 HA THR 80 -5.010 18.522 2.996 627 HB THR 80 HB THR 80 -2.431 17.547 4.219 628 HG1 THR 80 HG1 THR 80 -3.352 19.299 5.768 629 HG21 THR 80 HG21 THR 80 -1.705 19.329 2.855 630 HG22 THR 80 HG22 THR 80 -1.921 20.025 4.461 631 HG23 THR 80 HG23 THR 80 -3.137 20.292 3.213 632 HA PRO 81 HA PRO 81 -3.584 17.595 -1.232 633 HB2 PRO 81 HB2 PRO 81 -4.549 20.403 -1.470 634 HB3 PRO 81 HB1 PRO 81 -4.882 19.007 -2.501 635 HG2 PRO 81 HG2 PRO 81 -6.719 19.912 -0.794 636 HG3 PRO 81 HG1 PRO 81 -6.507 18.174 -1.074 637 HD2 PRO 81 HD2 PRO 81 -5.660 19.837 1.251 638 HD3 PRO 81 HD1 PRO 81 -6.227 18.155 1.210 639 H GLY 82 HN GLY 82 -1.855 18.367 -2.495 640 HA2 GLY 82 HA2 GLY 82 -0.042 19.744 -3.023 641 HA3 GLY 82 HA1 GLY 82 -0.381 20.702 -1.591 642 H GLN 83 HN GLN 83 -0.477 17.849 -0.237 643 HA GLN 83 HA GLN 83 2.261 17.991 0.663 644 HB2 GLN 83 HB2 GLN 83 -0.156 17.132 1.781 645 HB3 GLN 83 HB1 GLN 83 0.816 15.676 1.621 646 HG2 GLN 83 HG2 GLN 83 1.116 16.710 3.800 647 HG3 GLN 83 HG1 GLN 83 2.618 16.714 2.875 648 HE21 GLN 83 HE21 GLN 83 0.910 18.487 4.937 649 HE22 GLN 83 HE22 GLN 83 1.342 20.082 4.434 650 H HIS 84 HN HIS 84 3.864 16.488 0.390 651 HA HIS 84 HA HIS 84 3.313 14.270 -1.465 652 HB2 HIS 84 HB2 HIS 84 4.406 16.112 -2.684 653 HB3 HIS 84 HB1 HIS 84 5.732 16.087 -1.528 654 HD1 HIS 84 HD1 HIS 84 7.391 14.081 -1.672 655 HD2 HIS 84 HD2 HIS 84 4.475 14.133 -4.633 656 HE1 HIS 84 HE1 HIS 84 8.161 12.428 -3.404 657 HE2 HIS 84 HE2 HIS 84 6.398 12.500 -5.202 658 H PHE 85 HN PHE 85 3.896 12.362 -0.658 659 HA PHE 85 HA PHE 85 5.391 12.190 1.783 660 HB2 PHE 85 HB2 PHE 85 4.415 10.000 -0.060 661 HB3 PHE 85 HB1 PHE 85 5.014 9.778 1.574 662 HD1 PHE 85 HD1 PHE 85 3.279 12.749 1.696 663 HD2 PHE 85 HD2 PHE 85 2.606 8.562 1.322 664 HE1 PHE 85 HE1 PHE 85 0.996 13.041 2.558 665 HE2 PHE 85 HE2 PHE 85 0.321 8.849 2.187 666 HZ PHE 85 HZ PHE 85 -0.487 11.092 2.805 667 H GLU 86 HN GLU 86 7.470 12.900 1.376 668 HA GLU 86 HA GLU 86 9.024 12.026 -0.833 669 HB2 GLU 86 HB2 GLU 86 9.307 13.856 1.348 670 HB3 GLU 86 HB1 GLU 86 10.742 12.844 1.262 671 HG2 GLU 86 HG2 GLU 86 11.044 13.451 -1.075 672 HG3 GLU 86 HG1 GLU 86 9.592 14.449 -1.010 673 H GLY 87 HN GLY 87 11.256 11.041 -0.408 674 HA2 GLY 87 HA2 GLY 87 12.243 8.959 -0.145 675 HA3 GLY 87 HA1 GLY 87 12.101 9.429 1.539 676 H LEU 88 HN LEU 88 9.436 8.571 -0.635 677 HA LEU 88 HA LEU 88 8.203 6.872 1.214 678 HB2 LEU 88 HB2 LEU 88 7.960 7.313 -1.712 679 HB3 LEU 88 HB1 LEU 88 7.196 5.891 -1.034 680 HG LEU 88 HG LEU 88 6.660 8.601 0.132 681 HD11 LEU 88 HD11 LEU 88 6.139 7.957 -2.534 682 HD12 LEU 88 HD12 LEU 88 5.455 9.285 -1.597 683 HD13 LEU 88 HD13 LEU 88 4.606 7.743 -1.690 684 HD21 LEU 88 HD21 LEU 88 5.475 7.303 1.500 685 HD22 LEU 88 HD22 LEU 88 5.679 5.892 0.464 686 HD23 LEU 88 HD23 LEU 88 4.378 7.041 0.146 687 H ASN 89 HN ASN 89 9.930 5.903 -1.788 688 HA ASN 89 HA ASN 89 10.136 3.191 -0.895 689 HB2 ASN 89 HB2 ASN 89 11.375 2.853 -2.997 690 HB3 ASN 89 HB1 ASN 89 9.862 3.714 -3.268 691 HD21 ASN 89 HD21 ASN 89 13.224 3.753 -3.649 692 HD22 ASN 89 HD22 ASN 89 13.377 5.349 -4.293 693 H MET 90 HN MET 90 11.588 5.591 0.457 694 HA MET 90 HA MET 90 14.242 4.329 0.539 695 HB2 MET 90 HB2 MET 90 13.394 7.202 0.832 696 HB3 MET 90 HB1 MET 90 14.905 6.636 1.525 697 HG2 MET 90 HG2 MET 90 15.052 5.678 -1.025 698 HG3 MET 90 HG1 MET 90 14.204 7.208 -1.245 699 HE1 MET 90 HE1 MET 90 17.972 5.905 0.322 700 HE2 MET 90 HE2 MET 90 18.415 6.514 -1.273 701 HE3 MET 90 HE3 MET 90 17.102 5.349 -1.107 702 H LEU 91 HN LEU 91 11.526 5.634 2.292 703 HA LEU 91 HA LEU 91 12.359 5.679 4.887 704 HB2 LEU 91 HB2 LEU 91 9.862 5.457 3.470 705 HB3 LEU 91 HB1 LEU 91 9.817 4.448 4.907 706 HG LEU 91 HG LEU 91 10.383 7.413 4.828 707 HD11 LEU 91 HD11 LEU 91 8.075 5.990 6.121 708 HD12 LEU 91 HD12 LEU 91 8.011 6.602 4.468 709 HD13 LEU 91 HD13 LEU 91 8.266 7.716 5.811 710 HD21 LEU 91 HD21 LEU 91 11.671 6.636 6.610 711 HD22 LEU 91 HD22 LEU 91 10.489 5.402 7.049 712 HD23 LEU 91 HD23 LEU 91 10.147 7.103 7.363 713 H THR 92 HN THR 92 11.688 4.034 6.623 714 HA THR 92 HA THR 92 12.184 1.278 5.747 715 HB THR 92 HB THR 92 13.482 1.742 8.276 716 HG1 THR 92 HG1 THR 92 13.786 3.876 7.238 717 HG21 THR 92 HG21 THR 92 14.096 -0.168 7.092 718 HG22 THR 92 HG22 THR 92 15.465 0.917 6.850 719 HG23 THR 92 HG23 THR 92 14.266 0.712 5.574 720 H ALA 93 HN ALA 93 11.574 -0.341 7.349 721 HA ALA 93 HA ALA 93 9.282 0.572 8.918 722 HB1 ALA 93 HB1 ALA 93 8.584 -1.188 7.586 723 HB2 ALA 93 HB2 ALA 93 8.933 -1.992 9.117 724 HB3 ALA 93 HB3 ALA 93 10.093 -2.078 7.790 725 H LEU 94 HN LEU 94 9.094 0.249 11.105 726 HA LEU 94 HA LEU 94 11.562 -0.578 12.476 727 HB2 LEU 94 HB2 LEU 94 10.479 0.719 14.423 728 HB3 LEU 94 HB1 LEU 94 11.204 1.620 13.105 729 HG LEU 94 HG LEU 94 8.270 1.023 13.056 730 HD11 LEU 94 HD11 LEU 94 8.371 3.545 14.058 731 HD12 LEU 94 HD12 LEU 94 9.677 2.764 14.948 732 HD13 LEU 94 HD13 LEU 94 8.046 2.096 15.011 733 HD21 LEU 94 HD21 LEU 94 8.646 2.069 11.106 734 HD22 LEU 94 HD22 LEU 94 10.179 2.753 11.650 735 HD23 LEU 94 HD23 LEU 94 8.659 3.529 12.094 736 H LEU 95 HN LEU 95 11.525 -2.118 14.035 737 HA LEU 95 HA LEU 95 9.116 -3.738 14.211 738 HB2 LEU 95 HB2 LEU 95 11.999 -4.125 14.829 739 HB3 LEU 95 HB1 LEU 95 10.845 -5.082 15.736 740 HG LEU 95 HG LEU 95 9.941 -5.984 13.632 741 HD11 LEU 95 HD11 LEU 95 12.070 -5.263 11.873 742 HD12 LEU 95 HD12 LEU 95 11.307 -3.799 12.495 743 HD13 LEU 95 HD13 LEU 95 10.334 -5.021 11.677 744 HD21 LEU 95 HD21 LEU 95 12.663 -6.375 14.606 745 HD22 LEU 95 HD22 LEU 95 12.428 -6.898 12.938 746 HD23 LEU 95 HD23 LEU 95 11.413 -7.558 14.221 747 H ALA 96 HN ALA 96 7.784 -3.796 15.917 748 HA ALA 96 HA ALA 96 8.338 -3.598 18.576 749 HB1 ALA 96 HB1 ALA 96 8.459 -0.972 17.302 750 HB2 ALA 96 HB2 ALA 96 9.076 -1.506 18.864 751 HB3 ALA 96 HB3 ALA 96 7.383 -1.042 18.697 Start of MODEL 12 1 H MET 1 H MET 1 8.747 -18.150 0.147 2 HA MET 1 HA MET 1 7.029 -16.270 1.107 3 HB2 MET 1 HB2 MET 1 7.469 -17.276 3.342 4 HB3 MET 1 HB1 MET 1 9.183 -16.949 3.121 5 HG2 MET 1 HG2 MET 1 7.848 -14.523 2.657 6 HG3 MET 1 HG1 MET 1 7.121 -15.231 4.099 7 HE1 MET 1 HE1 MET 1 9.793 -15.908 6.447 8 HE2 MET 1 HE2 MET 1 10.691 -16.584 5.088 9 HE3 MET 1 HE3 MET 1 8.958 -16.881 5.235 10 H LEU 2 HN LEU 2 7.756 -15.202 -0.694 11 HA LEU 2 HA LEU 2 10.583 -14.373 -0.658 12 HB2 LEU 2 HB2 LEU 2 10.485 -14.181 -3.085 13 HB3 LEU 2 HB1 LEU 2 10.115 -15.812 -2.561 14 HG LEU 2 HG LEU 2 7.622 -14.632 -2.735 15 HD11 LEU 2 HD11 LEU 2 8.652 -13.982 -5.381 16 HD12 LEU 2 HD12 LEU 2 9.262 -12.917 -4.114 17 HD13 LEU 2 HD13 LEU 2 7.524 -13.098 -4.354 18 HD21 LEU 2 HD21 LEU 2 9.233 -16.464 -4.453 19 HD22 LEU 2 HD22 LEU 2 7.645 -15.929 -5.002 20 HD23 LEU 2 HD23 LEU 2 7.804 -16.802 -3.478 21 H THR 3 HN THR 3 11.060 -12.229 -0.954 22 HA THR 3 HA THR 3 9.010 -10.365 -0.278 23 HB THR 3 HB THR 3 11.780 -9.673 -1.250 24 HG1 THR 3 HG1 THR 3 11.174 -9.919 1.486 25 HG21 THR 3 HG21 THR 3 10.485 -8.160 0.912 26 HG22 THR 3 HG22 THR 3 9.706 -8.031 -0.665 27 HG23 THR 3 HG23 THR 3 11.403 -7.589 -0.481 28 HA PRO 4 HA PRO 4 7.761 -9.820 -4.588 29 HB2 PRO 4 HB2 PRO 4 5.683 -8.148 -3.969 30 HB3 PRO 4 HB1 PRO 4 5.574 -9.912 -3.914 31 HG2 PRO 4 HG2 PRO 4 6.015 -7.968 -1.682 32 HG3 PRO 4 HG1 PRO 4 4.989 -9.415 -1.723 33 HD2 PRO 4 HD2 PRO 4 7.407 -9.408 -0.530 34 HD3 PRO 4 HD1 PRO 4 6.771 -10.842 -1.362 35 H ALA 5 HN ALA 5 8.364 -8.286 -6.016 36 HA ALA 5 HA ALA 5 9.788 -5.987 -5.070 37 HB1 ALA 5 HB1 ALA 5 10.601 -5.767 -7.187 38 HB2 ALA 5 HB2 ALA 5 9.080 -6.242 -7.942 39 HB3 ALA 5 HB3 ALA 5 10.133 -7.466 -7.234 40 H PHE 6 HN PHE 6 7.522 -5.444 -3.972 41 HA PHE 6 HA PHE 6 5.515 -4.220 -5.494 42 HB2 PHE 6 HB2 PHE 6 4.686 -3.352 -3.435 43 HB3 PHE 6 HB1 PHE 6 5.369 -4.932 -3.079 44 HD1 PHE 6 HD1 PHE 6 7.558 -5.096 -1.930 45 HD2 PHE 6 HD2 PHE 6 5.546 -1.382 -2.448 46 HE1 PHE 6 HE1 PHE 6 8.958 -4.097 -0.170 47 HE2 PHE 6 HE2 PHE 6 6.943 -0.375 -0.689 48 HZ PHE 6 HZ PHE 6 8.651 -1.733 0.452 49 H ASP 7 HN ASP 7 4.963 -1.880 -5.458 50 HA ASP 7 HA ASP 7 7.263 -0.084 -5.336 51 HB2 ASP 7 HB2 ASP 7 6.687 -1.131 -7.739 52 HB3 ASP 7 HB1 ASP 7 5.543 0.209 -7.742 53 H LEU 8 HN LEU 8 6.738 2.005 -4.791 54 HA LEU 8 HA LEU 8 3.872 2.521 -4.355 55 HB2 LEU 8 HB2 LEU 8 5.948 3.987 -2.810 56 HB3 LEU 8 HB1 LEU 8 4.312 3.555 -2.354 57 HG LEU 8 HG LEU 8 6.341 1.389 -2.682 58 HD11 LEU 8 HD11 LEU 8 6.127 3.282 -0.355 59 HD12 LEU 8 HD12 LEU 8 7.560 2.867 -1.296 60 HD13 LEU 8 HD13 LEU 8 6.831 1.669 -0.226 61 HD21 LEU 8 HD21 LEU 8 3.827 1.098 -2.264 62 HD22 LEU 8 HD22 LEU 8 4.174 1.654 -0.627 63 HD23 LEU 8 HD23 LEU 8 4.947 0.193 -1.245 64 H SER 9 HN SER 9 3.003 4.401 -4.985 65 HA SER 9 HA SER 9 4.702 6.531 -6.025 66 HB2 SER 9 HB2 SER 9 2.790 6.517 -7.958 67 HB3 SER 9 HB1 SER 9 4.364 5.740 -8.136 68 HG SER 9 HG SER 9 2.118 4.397 -7.062 69 H GLN 10 HN GLN 10 3.915 8.491 -5.521 70 HA GLN 10 HA GLN 10 1.099 8.648 -4.693 71 HB2 GLN 10 HB2 GLN 10 1.599 9.741 -2.714 72 HB3 GLN 10 HB1 GLN 10 2.869 8.532 -2.808 73 HG2 GLN 10 HG2 GLN 10 3.097 11.455 -3.481 74 HG3 GLN 10 HG1 GLN 10 3.811 10.617 -2.104 75 HE21 GLN 10 HE21 GLN 10 5.004 12.170 -4.331 76 HE22 GLN 10 HE22 GLN 10 6.185 11.121 -5.030 77 H ASP 11 HN ASP 11 0.010 10.467 -5.172 78 HA ASP 11 HA ASP 11 1.370 12.394 -6.920 79 HB2 ASP 11 HB2 ASP 11 -1.308 11.161 -6.916 80 HB3 ASP 11 HB1 ASP 11 -1.299 12.891 -7.246 81 HA PRO 12 HA PRO 12 0.899 15.790 -4.189 82 HB2 PRO 12 HB2 PRO 12 -0.571 17.269 -6.299 83 HB3 PRO 12 HB1 PRO 12 0.920 17.694 -5.452 84 HG2 PRO 12 HG2 PRO 12 0.979 16.864 -7.984 85 HG3 PRO 12 HG1 PRO 12 2.237 16.378 -6.833 86 HD2 PRO 12 HD2 PRO 12 -0.099 14.818 -7.859 87 HD3 PRO 12 HD1 PRO 12 1.564 14.280 -7.541 88 H ASP 13 HN ASP 13 -1.846 14.140 -5.279 89 HA ASP 13 HA ASP 13 -3.473 15.498 -3.270 90 HB2 ASP 13 HB2 ASP 13 -4.462 14.725 -6.022 91 HB3 ASP 13 HB1 ASP 13 -5.449 15.379 -4.721 92 H PHE 14 HN PHE 14 -1.967 12.827 -3.903 93 HA PHE 14 HA PHE 14 -3.677 11.151 -2.365 94 HB2 PHE 14 HB2 PHE 14 -3.312 10.165 -5.189 95 HB3 PHE 14 HB1 PHE 14 -4.341 9.501 -3.932 96 HD1 PHE 14 HD2 PHE 14 -3.946 12.283 -6.318 97 HD2 PHE 14 HD1 PHE 14 -6.546 10.255 -3.629 98 HE1 PHE 14 HE2 PHE 14 -5.857 13.540 -7.226 99 HE2 PHE 14 HE1 PHE 14 -8.464 11.505 -4.533 100 HZ PHE 14 HZ PHE 14 -8.120 13.152 -6.333 101 H LEU 15 HN LEU 15 -2.904 8.851 -2.362 102 HA LEU 15 HA LEU 15 -0.060 8.538 -2.992 103 HB2 LEU 15 HB2 LEU 15 0.097 9.087 -0.702 104 HB3 LEU 15 HB1 LEU 15 -1.339 8.174 -0.292 105 HG LEU 15 HG LEU 15 1.076 7.287 0.289 106 HD11 LEU 15 HD11 LEU 15 -0.171 5.598 0.986 107 HD12 LEU 15 HD12 LEU 15 -0.252 4.969 -0.660 108 HD13 LEU 15 HD13 LEU 15 -1.475 6.106 -0.088 109 HD21 LEU 15 HD21 LEU 15 1.270 7.329 -2.457 110 HD22 LEU 15 HD22 LEU 15 0.914 5.639 -2.103 111 HD23 LEU 15 HD23 LEU 15 2.307 6.421 -1.357 112 H THR 16 HN THR 16 -0.069 6.845 -4.383 113 HA THR 16 HA THR 16 -2.019 4.711 -3.909 114 HB THR 16 HB THR 16 -0.452 5.348 -6.414 115 HG1 THR 16 HG1 THR 16 -2.574 6.551 -5.493 116 HG21 THR 16 HG21 THR 16 -1.780 3.687 -7.507 117 HG22 THR 16 HG22 THR 16 -2.747 3.429 -6.055 118 HG23 THR 16 HG23 THR 16 -1.052 2.944 -6.083 119 H ILE 17 HN ILE 17 -1.398 2.553 -4.051 120 HA ILE 17 HA ILE 17 1.482 2.037 -3.725 121 HB ILE 17 HB ILE 17 -0.609 0.408 -2.313 122 HG12 ILE 17 HG12 ILE 17 0.467 3.111 -1.559 123 HG13 ILE 17 HG11 ILE 17 -1.174 2.488 -1.419 124 HG21 ILE 17 HG21 ILE 17 1.116 -0.502 -1.155 125 HG22 ILE 17 HG22 ILE 17 2.053 0.990 -1.164 126 HG23 ILE 17 HG23 ILE 17 2.012 -0.032 -2.598 127 HD11 ILE 17 HD11 ILE 17 -0.415 2.613 0.772 128 HD12 ILE 17 HD12 ILE 17 1.181 1.988 0.356 129 HD13 ILE 17 HD13 ILE 17 -0.216 0.911 0.356 130 H ALA 18 HN ALA 18 2.180 -0.094 -4.423 131 HA ALA 18 HA ALA 18 0.271 -1.536 -6.113 132 HB1 ALA 18 HB1 ALA 18 1.138 -0.570 -7.935 133 HB2 ALA 18 HB2 ALA 18 2.499 -1.661 -7.676 134 HB3 ALA 18 HB3 ALA 18 2.571 -0.005 -7.075 135 H ILE 19 HN ILE 19 0.306 -3.594 -5.571 136 HA ILE 19 HA ILE 19 2.871 -4.804 -4.780 137 HB ILE 19 HB ILE 19 0.299 -5.832 -3.655 138 HG12 ILE 19 HG12 ILE 19 1.915 -3.554 -2.488 139 HG13 ILE 19 HG11 ILE 19 0.303 -3.412 -3.179 140 HG21 ILE 19 HG21 ILE 19 2.734 -5.720 -2.031 141 HG22 ILE 19 HG22 ILE 19 2.881 -6.677 -3.505 142 HG23 ILE 19 HG23 ILE 19 1.625 -7.059 -2.327 143 HD11 ILE 19 HD11 ILE 19 1.037 -5.019 -0.745 144 HD12 ILE 19 HD12 ILE 19 -0.581 -4.852 -1.429 145 HD13 ILE 19 HD13 ILE 19 0.239 -3.446 -0.752 146 H ARG 20 HN ARG 20 3.440 -6.553 -5.903 147 HA ARG 20 HA ARG 20 1.462 -7.734 -7.722 148 HB2 ARG 20 HB2 ARG 20 4.409 -8.303 -7.807 149 HB3 ARG 20 HB1 ARG 20 3.233 -8.384 -9.110 150 HG2 ARG 20 HG2 ARG 20 3.194 -6.064 -9.378 151 HG3 ARG 20 HG1 ARG 20 3.953 -5.782 -7.810 152 HD2 ARG 20 HD2 ARG 20 5.882 -5.616 -8.916 153 HD3 ARG 20 HD1 ARG 20 5.782 -7.360 -9.148 154 HE ARG 20 HE ARG 20 4.444 -5.688 -11.120 155 HH11 ARG 20 HH11 ARG 20 7.236 -7.602 -10.269 156 HH12 ARG 20 HH12 ARG 20 7.751 -7.806 -11.910 157 HH21 ARG 20 HH21 ARG 20 5.122 -5.956 -13.278 158 HH22 ARG 20 HH22 ARG 20 6.554 -6.869 -13.617 159 H VAL 21 HN VAL 21 0.597 -9.638 -7.215 160 HA VAL 21 HA VAL 21 2.199 -11.645 -5.844 161 HB VAL 21 HB VAL 21 0.446 -12.086 -4.163 162 HG11 VAL 21 HG11 VAL 21 2.467 -10.501 -3.858 163 HG12 VAL 21 HG12 VAL 21 1.187 -10.495 -2.644 164 HG13 VAL 21 HG13 VAL 21 1.256 -9.220 -3.861 165 HG21 VAL 21 HG21 VAL 21 -1.514 -11.214 -5.142 166 HG22 VAL 21 HG22 VAL 21 -0.787 -9.622 -5.367 167 HG23 VAL 21 HG23 VAL 21 -1.187 -10.189 -3.745 168 H SER 22 HN SER 22 1.733 -13.667 -6.463 169 HA SER 22 HA SER 22 -0.666 -14.071 -8.127 170 HB2 SER 22 HB2 SER 22 0.960 -16.124 -8.853 171 HB3 SER 22 HB1 SER 22 0.907 -14.573 -9.692 172 HG SER 22 HG SER 22 3.038 -15.097 -9.178 173 H TYR 23 HN TYR 23 1.370 -15.315 -5.580 174 HA TYR 23 HA TYR 23 0.102 -17.820 -5.252 175 HB2 TYR 23 HB2 TYR 23 1.650 -16.164 -3.248 176 HB3 TYR 23 HB1 TYR 23 1.228 -17.863 -3.057 177 HD1 TYR 23 HD1 TYR 23 1.837 -17.512 -6.422 178 HD2 TYR 23 HD2 TYR 23 3.924 -17.548 -2.715 179 HE1 TYR 23 HE1 TYR 23 3.898 -18.157 -7.597 180 HE2 TYR 23 HE2 TYR 23 5.993 -18.192 -3.879 181 HH TYR 23 HH TYR 23 6.093 -18.497 -7.412 182 H ALA 24 HN ALA 24 -0.994 -14.706 -4.659 183 HA ALA 24 HA ALA 24 -2.327 -14.348 -2.456 184 HB1 ALA 24 HB1 ALA 24 -2.991 -12.868 -4.076 185 HB2 ALA 24 HB2 ALA 24 -4.455 -13.833 -3.891 186 HB3 ALA 24 HB3 ALA 24 -3.363 -14.138 -5.242 187 H ARG 25 HN ARG 25 -3.124 -15.727 -1.032 188 HA ARG 25 HA ARG 25 -4.385 -18.190 -1.841 189 HB2 ARG 25 HB2 ARG 25 -3.514 -16.973 0.727 190 HB3 ARG 25 HB1 ARG 25 -4.784 -18.188 0.800 191 HG2 ARG 25 HG2 ARG 25 -2.666 -19.100 -0.900 192 HG3 ARG 25 HG1 ARG 25 -2.017 -18.598 0.662 193 HD2 ARG 25 HD2 ARG 25 -4.261 -19.996 1.378 194 HD3 ARG 25 HD1 ARG 25 -3.693 -20.890 -0.032 195 HE ARG 25 HE ARG 25 -2.532 -20.897 2.546 196 HH11 ARG 25 HH11 ARG 25 -1.699 -20.927 -0.836 197 HH12 ARG 25 HH12 ARG 25 -0.191 -21.743 -0.590 198 HH21 ARG 25 HH21 ARG 25 -0.553 -21.971 2.882 199 HH22 ARG 25 HH22 ARG 25 0.462 -22.337 1.527 200 H VAL 26 HN VAL 26 -5.526 -15.794 0.532 201 HA VAL 26 HA VAL 26 -8.219 -16.509 0.364 202 HB VAL 26 HB VAL 26 -8.727 -14.444 1.518 203 HG11 VAL 26 HG11 VAL 26 -7.830 -15.198 3.416 204 HG12 VAL 26 HG12 VAL 26 -6.187 -14.884 2.858 205 HG13 VAL 26 HG13 VAL 26 -6.991 -16.392 2.425 206 HG21 VAL 26 HG21 VAL 26 -5.883 -13.573 1.043 207 HG22 VAL 26 HG22 VAL 26 -7.187 -12.649 1.789 208 HG23 VAL 26 HG23 VAL 26 -7.245 -13.024 0.067 209 H SER 27 HN SER 27 -9.952 -15.768 -0.795 210 HA SER 27 HA SER 27 -9.594 -14.925 -3.421 211 HB2 SER 27 HB2 SER 27 -11.679 -15.955 -2.221 212 HB3 SER 27 HB1 SER 27 -12.121 -14.273 -1.936 213 HG SER 27 HG SER 27 -12.462 -13.987 -4.027 214 H GLU 28 HN GLU 28 -10.275 -13.071 -0.505 215 HA GLU 28 HA GLU 28 -9.711 -10.605 -2.014 216 HB2 GLU 28 HB2 GLU 28 -11.997 -10.480 -1.393 217 HB3 GLU 28 HB1 GLU 28 -11.675 -11.113 0.216 218 HG2 GLU 28 HG2 GLU 28 -10.140 -8.804 0.051 219 HG3 GLU 28 HG1 GLU 28 -11.664 -8.391 -0.734 220 H PHE 29 HN PHE 29 -8.260 -9.175 -1.131 221 HA PHE 29 HA PHE 29 -6.636 -10.216 1.046 222 HB2 PHE 29 HB2 PHE 29 -6.068 -7.638 -0.379 223 HB3 PHE 29 HB1 PHE 29 -4.939 -8.785 0.334 224 HD1 PHE 29 HD1 PHE 29 -6.338 -11.236 -0.995 225 HD2 PHE 29 HD2 PHE 29 -4.886 -7.515 -2.464 226 HE1 PHE 29 HE1 PHE 29 -5.977 -12.254 -3.205 227 HE2 PHE 29 HE2 PHE 29 -4.523 -8.525 -4.677 228 HZ PHE 29 HZ PHE 29 -5.068 -10.898 -5.051 229 H ASP 30 HN ASP 30 -5.774 -8.554 2.639 230 HA ASP 30 HA ASP 30 -8.001 -6.854 3.549 231 HB2 ASP 30 HB2 ASP 30 -5.902 -8.063 5.347 232 HB3 ASP 30 HB1 ASP 30 -7.434 -7.326 5.810 233 H VAL 31 HN VAL 31 -7.576 -4.772 3.330 234 HA VAL 31 HA VAL 31 -4.797 -3.853 3.686 235 HB VAL 31 HB VAL 31 -6.765 -2.245 2.115 236 HG11 VAL 31 HG11 VAL 31 -3.934 -2.233 2.678 237 HG12 VAL 31 HG12 VAL 31 -4.946 -0.973 1.971 238 HG13 VAL 31 HG13 VAL 31 -4.241 -2.219 0.941 239 HG21 VAL 31 HG21 VAL 31 -6.271 -3.388 0.080 240 HG22 VAL 31 HG22 VAL 31 -6.829 -4.592 1.240 241 HG23 VAL 31 HG23 VAL 31 -5.108 -4.440 0.885 242 H TYR 32 HN TYR 32 -4.499 -2.609 5.407 243 HA TYR 32 HA TYR 32 -6.804 -1.102 6.453 244 HB2 TYR 32 HB2 TYR 32 -4.519 -2.267 8.052 245 HB3 TYR 32 HB1 TYR 32 -5.929 -1.433 8.696 246 HD1 TYR 32 HD1 TYR 32 -8.244 -2.512 7.841 247 HD2 TYR 32 HD2 TYR 32 -4.536 -4.570 8.170 248 HE1 TYR 32 HE1 TYR 32 -9.450 -4.650 7.982 249 HE2 TYR 32 HE2 TYR 32 -5.731 -6.714 8.312 250 HH TYR 32 HH TYR 32 -8.666 -7.249 7.364 251 H PHE 33 HN PHE 33 -6.578 1.003 6.212 252 HA PHE 33 HA PHE 33 -3.903 2.183 6.546 253 HB2 PHE 33 HB2 PHE 33 -4.435 3.841 4.832 254 HB3 PHE 33 HB1 PHE 33 -4.531 2.214 4.169 255 HD1 PHE 33 HD2 PHE 33 -6.459 5.153 5.212 256 HD2 PHE 33 HD1 PHE 33 -6.605 1.299 3.414 257 HE1 PHE 33 HE2 PHE 33 -8.738 5.619 4.408 258 HE2 PHE 33 HE1 PHE 33 -8.883 1.757 2.607 259 HZ PHE 33 HZ PHE 33 -9.953 3.919 3.105 260 H GLU 34 HN GLU 34 -3.868 3.393 8.303 261 HA GLU 34 HA GLU 34 -6.174 5.114 8.893 262 HB2 GLU 34 HB2 GLU 34 -5.809 4.599 11.341 263 HB3 GLU 34 HB1 GLU 34 -6.502 3.293 10.388 264 HG2 GLU 34 HG2 GLU 34 -4.737 1.952 10.702 265 HG3 GLU 34 HG1 GLU 34 -3.577 3.271 10.555 266 H GLY 35 HN GLY 35 -5.435 7.145 8.807 267 HA2 GLY 35 HA2 GLY 35 -4.145 8.990 9.235 268 HA3 GLY 35 HA1 GLY 35 -3.360 8.058 10.501 269 H SER 36 HN SER 36 -1.729 6.430 9.711 270 HA SER 36 HA SER 36 -0.486 6.976 7.166 271 HB2 SER 36 HB2 SER 36 1.539 7.265 9.246 272 HB3 SER 36 HB1 SER 36 1.240 8.261 7.821 273 HG SER 36 HG SER 36 0.710 8.848 10.331 274 H ASP 37 HN ASP 37 -1.664 4.749 8.677 275 HA ASP 37 HA ASP 37 0.676 2.955 8.736 276 HB2 ASP 37 HB2 ASP 37 -0.890 3.441 10.869 277 HB3 ASP 37 HB1 ASP 37 -1.811 2.132 10.133 278 H PHE 38 HN PHE 38 0.686 1.997 6.794 279 HA PHE 38 HA PHE 38 -1.848 0.981 5.704 280 HB2 PHE 38 HB2 PHE 38 -0.624 2.438 4.185 281 HB3 PHE 38 HB1 PHE 38 0.821 1.447 4.357 282 HD1 PHE 38 HD2 PHE 38 -2.525 1.656 2.888 283 HD2 PHE 38 HD1 PHE 38 1.034 -0.656 3.206 284 HE1 PHE 38 HE2 PHE 38 -3.250 0.285 0.979 285 HE2 PHE 38 HE1 PHE 38 0.317 -2.029 1.295 286 HZ PHE 38 HZ PHE 38 -1.828 -1.560 0.179 287 H LYS 39 HN LYS 39 -2.261 -1.123 5.792 288 HA LYS 39 HA LYS 39 -0.001 -2.996 6.013 289 HB2 LYS 39 HB2 LYS 39 -2.586 -3.571 7.407 290 HB3 LYS 39 HB1 LYS 39 -0.973 -4.176 7.759 291 HG2 LYS 39 HG2 LYS 39 -1.611 -1.279 8.128 292 HG3 LYS 39 HG1 LYS 39 -2.066 -2.464 9.354 293 HD2 LYS 39 HD2 LYS 39 0.595 -3.038 8.668 294 HD3 LYS 39 HD1 LYS 39 0.499 -1.282 8.825 295 HE2 LYS 39 HE2 LYS 39 0.895 -1.811 11.003 296 HE3 LYS 39 HE1 LYS 39 -0.864 -1.932 11.005 297 HZ1 LYS 39 HZ1 LYS 39 0.866 -3.876 11.787 298 HZ2 LYS 39 HZ2 LYS 39 0.415 -4.377 10.236 299 HZ3 LYS 39 HZ3 LYS 39 -0.768 -4.103 11.412 300 H PHE 40 HN PHE 40 -0.092 -4.759 4.740 301 HA PHE 40 HA PHE 40 -2.602 -5.274 3.282 302 HB2 PHE 40 HB2 PHE 40 -0.903 -4.175 1.838 303 HB3 PHE 40 HB1 PHE 40 0.205 -5.497 2.172 304 HD1 PHE 40 HD2 PHE 40 -3.400 -5.306 1.209 305 HD2 PHE 40 HD1 PHE 40 0.471 -6.856 0.357 306 HE1 PHE 40 HE2 PHE 40 -4.327 -6.569 -0.689 307 HE2 PHE 40 HE1 PHE 40 -0.448 -8.121 -1.542 308 HZ PHE 40 HZ PHE 40 -2.851 -7.979 -2.067 309 H TYR 41 HN TYR 41 -3.368 -7.160 4.037 310 HA TYR 41 HA TYR 41 -1.442 -9.334 4.515 311 HB2 TYR 41 HB2 TYR 41 -4.146 -8.834 5.775 312 HB3 TYR 41 HB1 TYR 41 -3.186 -10.288 6.030 313 HD1 TYR 41 HD2 TYR 41 -3.464 -6.703 6.745 314 HD2 TYR 41 HD1 TYR 41 -1.202 -10.242 7.416 315 HE1 TYR 41 HE2 TYR 41 -2.286 -5.591 8.594 316 HE2 TYR 41 HE1 TYR 41 -0.018 -9.141 9.269 317 HH TYR 41 HH TYR 41 0.347 -6.215 9.737 318 H ALA 42 HN ALA 42 -1.483 -10.902 3.074 319 HA ALA 42 HA ALA 42 -4.041 -11.602 1.801 320 HB1 ALA 42 HB1 ALA 42 -3.197 -11.587 -0.316 321 HB2 ALA 42 HB2 ALA 42 -1.553 -11.935 0.216 322 HB3 ALA 42 HB3 ALA 42 -2.209 -10.307 0.387 323 H LYS 43 HN LYS 43 -2.822 -12.739 4.085 324 HA LYS 43 HA LYS 43 -2.824 -14.839 4.929 325 HB2 LYS 43 HB2 LYS 43 -3.925 -15.845 3.082 326 HB3 LYS 43 HB1 LYS 43 -2.492 -15.781 2.087 327 HG2 LYS 43 HG2 LYS 43 -2.541 -17.989 2.747 328 HG3 LYS 43 HG1 LYS 43 -1.445 -17.275 3.933 329 HD2 LYS 43 HD2 LYS 43 -2.774 -18.008 5.558 330 HD3 LYS 43 HD1 LYS 43 -4.065 -16.975 4.943 331 HE2 LYS 43 HE2 LYS 43 -4.041 -19.161 3.228 332 HE3 LYS 43 HE1 LYS 43 -3.782 -19.855 4.828 333 HZ1 LYS 43 HZ1 LYS 43 -5.961 -17.931 4.252 334 HZ2 LYS 43 HZ2 LYS 43 -5.783 -18.921 5.610 335 HZ3 LYS 43 HZ3 LYS 43 -6.159 -19.605 4.110 336 HA PRO 44 HA PRO 44 1.669 -15.899 4.651 337 HB2 PRO 44 HB2 PRO 44 2.977 -16.459 2.418 338 HB3 PRO 44 HB1 PRO 44 1.756 -17.571 3.036 339 HG2 PRO 44 HG2 PRO 44 1.524 -15.543 0.848 340 HG3 PRO 44 HG1 PRO 44 0.956 -17.223 0.873 341 HD2 PRO 44 HD2 PRO 44 -0.639 -15.048 1.396 342 HD3 PRO 44 HD1 PRO 44 -0.945 -16.686 1.996 343 H TYR 45 HN TYR 45 0.688 -13.508 2.388 344 HA TYR 45 HA TYR 45 3.285 -12.176 2.538 345 HB2 TYR 45 HB2 TYR 45 0.904 -11.690 0.744 346 HB3 TYR 45 HB1 TYR 45 2.354 -10.692 0.743 347 HD1 TYR 45 HD1 TYR 45 4.159 -13.249 1.272 348 HD2 TYR 45 HD2 TYR 45 1.219 -12.220 -1.625 349 HE1 TYR 45 HE1 TYR 45 5.213 -14.784 -0.335 350 HE2 TYR 45 HE2 TYR 45 2.262 -13.754 -3.238 351 HH TYR 45 HH TYR 45 5.076 -14.756 -3.268 352 H PHE 46 HN PHE 46 3.563 -10.671 4.031 353 HA PHE 46 HA PHE 46 1.266 -9.000 4.813 354 HB2 PHE 46 HB2 PHE 46 1.555 -10.228 6.758 355 HB3 PHE 46 HB1 PHE 46 3.287 -10.412 6.510 356 HD1 PHE 46 HD2 PHE 46 1.151 -7.362 6.631 357 HD2 PHE 46 HD1 PHE 46 4.329 -9.579 8.390 358 HE1 PHE 46 HE2 PHE 46 1.571 -5.510 8.197 359 HE2 PHE 46 HE1 PHE 46 4.755 -7.732 9.958 360 HZ PHE 46 HZ PHE 46 3.376 -5.694 9.863 361 H LEU 47 HN LEU 47 1.584 -6.938 4.260 362 HA LEU 47 HA LEU 47 4.345 -5.923 4.275 363 HB2 LEU 47 HB2 LEU 47 2.385 -5.948 2.140 364 HB3 LEU 47 HB1 LEU 47 2.937 -4.322 2.491 365 HG LEU 47 HG LEU 47 4.521 -6.665 1.496 366 HD11 LEU 47 HD11 LEU 47 4.734 -3.829 0.593 367 HD12 LEU 47 HD12 LEU 47 3.372 -4.819 0.070 368 HD13 LEU 47 HD13 LEU 47 5.021 -5.318 -0.306 369 HD21 LEU 47 HD21 LEU 47 6.196 -6.121 2.868 370 HD22 LEU 47 HD22 LEU 47 5.409 -4.625 3.373 371 HD23 LEU 47 HD23 LEU 47 6.363 -4.662 1.890 372 H ARG 48 HN ARG 48 4.648 -4.434 5.747 373 HA ARG 48 HA ARG 48 2.405 -2.670 6.481 374 HB2 ARG 48 HB2 ARG 48 2.913 -3.868 8.432 375 HB3 ARG 48 HB1 ARG 48 4.642 -3.839 8.112 376 HG2 ARG 48 HG2 ARG 48 3.606 -1.166 8.400 377 HG3 ARG 48 HG1 ARG 48 3.214 -2.159 9.805 378 HD2 ARG 48 HD2 ARG 48 5.824 -2.831 9.313 379 HD3 ARG 48 HD1 ARG 48 5.788 -1.118 8.895 380 HE ARG 48 HE ARG 48 4.567 -1.093 11.260 381 HH11 ARG 48 HH11 ARG 48 7.471 -2.708 10.220 382 HH12 ARG 48 HH12 ARG 48 8.217 -2.651 11.783 383 HH21 ARG 48 HH21 ARG 48 5.541 -1.008 13.320 384 HH22 ARG 48 HH22 ARG 48 7.119 -1.684 13.546 385 H LEU 49 HN LEU 49 2.652 -0.729 5.582 386 HA LEU 49 HA LEU 49 5.376 0.383 5.421 387 HB2 LEU 49 HB2 LEU 49 3.072 0.617 3.500 388 HB3 LEU 49 HB1 LEU 49 4.443 1.709 3.458 389 HG LEU 49 HG LEU 49 4.505 -1.275 3.007 390 HD11 LEU 49 HD11 LEU 49 4.122 0.973 1.283 391 HD12 LEU 49 HD12 LEU 49 4.148 -0.746 0.886 392 HD13 LEU 49 HD13 LEU 49 5.650 0.181 0.893 393 HD21 LEU 49 HD21 LEU 49 6.951 -0.177 2.282 394 HD22 LEU 49 HD22 LEU 49 6.624 -1.200 3.681 395 HD23 LEU 49 HD23 LEU 49 6.580 0.556 3.843 396 H THR 50 HN THR 50 5.720 2.201 6.490 397 HA THR 50 HA THR 50 3.473 3.594 7.706 398 HB THR 50 HB THR 50 6.181 4.672 8.142 399 HG1 THR 50 HG1 THR 50 5.596 2.229 9.430 400 HG21 THR 50 HG21 THR 50 4.934 5.519 9.792 401 HG22 THR 50 HG22 THR 50 5.075 3.936 10.556 402 HG23 THR 50 HG23 THR 50 3.667 4.315 9.563 403 H LEU 51 HN LEU 51 2.494 5.041 6.435 404 HA LEU 51 HA LEU 51 3.808 6.385 4.298 405 HB2 LEU 51 HB2 LEU 51 1.193 7.273 5.446 406 HB3 LEU 51 HB1 LEU 51 1.736 7.311 3.779 407 HG LEU 51 HG LEU 51 0.891 4.877 5.348 408 HD11 LEU 51 HD11 LEU 51 -0.460 5.213 2.878 409 HD12 LEU 51 HD12 LEU 51 -0.527 6.744 3.751 410 HD13 LEU 51 HD13 LEU 51 -1.121 5.269 4.513 411 HD21 LEU 51 HD21 LEU 51 1.151 4.003 2.816 412 HD22 LEU 51 HD22 LEU 51 2.410 3.841 4.042 413 HD23 LEU 51 HD23 LEU 51 2.475 5.166 2.879 414 HA PRO 52 HA PRO 52 5.432 9.784 6.690 415 HB2 PRO 52 HB2 PRO 52 5.995 11.090 4.146 416 HB3 PRO 52 HB1 PRO 52 7.127 10.436 5.332 417 HG2 PRO 52 HG2 PRO 52 6.733 9.322 2.886 418 HG3 PRO 52 HG1 PRO 52 7.215 8.388 4.312 419 HD2 PRO 52 HD2 PRO 52 4.518 8.665 3.045 420 HD3 PRO 52 HD1 PRO 52 5.298 7.232 3.748 421 H GLY 53 HN GLY 53 3.388 10.548 7.458 422 HA2 GLY 53 HA2 GLY 53 2.539 12.943 7.401 423 HA3 GLY 53 HA1 GLY 53 2.116 12.579 5.736 424 H ARG 54 HN ARG 54 -0.073 12.666 5.780 425 HA ARG 54 HA ARG 54 -1.414 10.617 7.362 426 HB2 ARG 54 HB2 ARG 54 -2.978 13.060 7.365 427 HB3 ARG 54 HB1 ARG 54 -2.567 11.991 8.698 428 HG2 ARG 54 HG2 ARG 54 -0.521 13.886 7.639 429 HG3 ARG 54 HG1 ARG 54 -1.789 14.466 8.719 430 HD2 ARG 54 HD2 ARG 54 -0.902 12.170 9.957 431 HD3 ARG 54 HD1 ARG 54 0.576 12.871 9.300 432 HE ARG 54 HE ARG 54 -0.945 13.845 11.501 433 HH11 ARG 54 HH11 ARG 54 1.063 14.838 8.837 434 HH12 ARG 54 HH12 ARG 54 1.580 16.303 9.602 435 HH21 ARG 54 HH21 ARG 54 -0.273 15.771 12.521 436 HH22 ARG 54 HH22 ARG 54 0.821 16.834 11.698 437 H ILE 55 HN ILE 55 -3.099 9.687 6.368 438 HA ILE 55 HA ILE 55 -3.985 10.842 3.802 439 HB ILE 55 HB ILE 55 -3.732 7.931 4.582 440 HG12 ILE 55 HG12 ILE 55 -1.626 9.021 3.918 441 HG13 ILE 55 HG11 ILE 55 -2.131 7.817 2.737 442 HG21 ILE 55 HG21 ILE 55 -5.742 8.828 3.068 443 HG22 ILE 55 HG22 ILE 55 -4.949 7.280 2.787 444 HG23 ILE 55 HG23 ILE 55 -4.497 8.687 1.827 445 HD11 ILE 55 HD11 ILE 55 -1.283 9.798 1.641 446 HD12 ILE 55 HD12 ILE 55 -2.466 10.796 2.486 447 HD13 ILE 55 HD13 ILE 55 -3.003 9.600 1.307 448 H VAL 56 HN VAL 56 -6.092 11.350 3.679 449 HA VAL 56 HA VAL 56 -7.766 11.173 5.912 450 HB VAL 56 HB VAL 56 -8.215 12.890 4.357 451 HG11 VAL 56 HG11 VAL 56 -7.911 12.628 2.178 452 HG12 VAL 56 HG12 VAL 56 -9.291 11.533 2.102 453 HG13 VAL 56 HG13 VAL 56 -7.678 10.897 2.420 454 HG21 VAL 56 HG21 VAL 56 -10.451 10.888 4.059 455 HG22 VAL 56 HG22 VAL 56 -10.575 12.644 3.951 456 HG23 VAL 56 HG23 VAL 56 -10.178 11.881 5.490 457 H GLU 57 HN GLU 57 -9.770 10.133 6.193 458 HA GLU 57 HA GLU 57 -9.947 7.494 4.899 459 HB2 GLU 57 HB2 GLU 57 -10.658 8.123 7.768 460 HB3 GLU 57 HB1 GLU 57 -10.676 6.545 6.999 461 HG2 GLU 57 HG2 GLU 57 -8.300 6.524 6.812 462 HG3 GLU 57 HG1 GLU 57 -8.195 8.201 7.345 463 H ASN 58 HN ASN 58 -11.869 6.982 4.043 464 HA ASN 58 HA ASN 58 -14.346 8.015 5.029 465 HB2 ASN 58 HB2 ASN 58 -13.136 9.809 3.447 466 HB3 ASN 58 HB1 ASN 58 -13.911 8.832 2.202 467 HD21 ASN 58 HD21 ASN 58 -15.038 10.882 1.813 468 HD22 ASN 58 HD22 ASN 58 -16.467 11.220 2.723 469 H GLY 59 HN GLY 59 -12.629 6.533 2.325 470 HA2 GLY 59 HA2 GLY 59 -13.141 4.200 1.810 471 HA3 GLY 59 HA1 GLY 59 -14.828 4.572 2.125 472 H SER 60 HN SER 60 -13.688 7.195 0.554 473 HA SER 60 HA SER 60 -14.818 6.292 -1.972 474 HB2 SER 60 HB2 SER 60 -14.734 8.771 -0.567 475 HB3 SER 60 HB1 SER 60 -13.922 8.998 -2.116 476 HG SER 60 HG SER 60 -16.381 9.190 -1.887 477 H GLU 61 HN GLU 61 -12.171 5.378 -1.045 478 HA GLU 61 HA GLU 61 -10.188 6.698 -2.630 479 HB2 GLU 61 HB2 GLU 61 -8.755 4.785 -1.998 480 HB3 GLU 61 HB1 GLU 61 -9.541 5.520 -0.608 481 HG2 GLU 61 HG2 GLU 61 -11.062 3.327 -1.781 482 HG3 GLU 61 HG1 GLU 61 -9.476 2.851 -1.177 483 H GLN 62 HN GLN 62 -8.798 4.694 -3.854 484 HA GLN 62 HA GLN 62 -10.671 3.488 -5.764 485 HB2 GLN 62 HB2 GLN 62 -8.341 5.287 -6.378 486 HB3 GLN 62 HB1 GLN 62 -8.896 4.097 -7.549 487 HG2 GLN 62 HG2 GLN 62 -11.106 5.113 -7.557 488 HG3 GLN 62 HG1 GLN 62 -10.581 6.286 -6.352 489 HE21 GLN 62 HE21 GLN 62 -8.197 7.113 -7.206 490 HE22 GLN 62 HE22 GLN 62 -8.311 7.852 -8.763 491 H GLY 63 HN GLY 63 -10.110 1.478 -6.476 492 HA2 GLY 63 HA2 GLY 63 -7.414 0.482 -5.950 493 HA3 GLY 63 HA1 GLY 63 -8.732 -0.313 -5.101 494 H SER 64 HN SER 64 -6.912 -1.495 -6.997 495 HA SER 64 HA SER 64 -8.831 -2.830 -8.641 496 HB2 SER 64 HB2 SER 64 -8.384 -2.003 -10.718 497 HB3 SER 64 HB1 SER 64 -7.961 -0.557 -9.801 498 HG SER 64 HG SER 64 -5.769 -1.698 -9.746 499 H TYR 65 HN TYR 65 -8.230 -4.876 -8.522 500 HA TYR 65 HA TYR 65 -5.353 -5.506 -8.424 501 HB2 TYR 65 HB2 TYR 65 -6.260 -6.234 -6.377 502 HB3 TYR 65 HB1 TYR 65 -7.733 -6.825 -7.139 503 HD1 TYR 65 HD2 TYR 65 -4.159 -7.458 -7.991 504 HD2 TYR 65 HD1 TYR 65 -7.848 -9.094 -6.647 505 HE1 TYR 65 HE2 TYR 65 -3.189 -9.715 -8.097 506 HE2 TYR 65 HE1 TYR 65 -6.889 -11.356 -6.747 507 HH TYR 65 HH TYR 65 -3.998 -12.135 -6.659 508 H ASP 66 HN ASP 66 -4.517 -6.939 -9.867 509 HA ASP 66 HA ASP 66 -6.403 -8.180 -11.761 510 HB2 ASP 66 HB2 ASP 66 -4.141 -6.402 -12.243 511 HB3 ASP 66 HB1 ASP 66 -4.029 -7.902 -13.159 512 H ALA 67 HN ALA 67 -6.276 -10.308 -11.904 513 HA ALA 67 HA ALA 67 -4.173 -11.729 -10.516 514 HB1 ALA 67 HB1 ALA 67 -6.005 -13.385 -12.053 515 HB2 ALA 67 HB2 ALA 67 -6.835 -12.267 -10.971 516 HB3 ALA 67 HB3 ALA 67 -5.644 -13.396 -10.327 517 H ASP 68 HN ASP 68 -5.176 -11.096 -13.798 518 HA ASP 68 HA ASP 68 -3.771 -13.004 -15.207 519 HB2 ASP 68 HB2 ASP 68 -5.037 -10.496 -15.788 520 HB3 ASP 68 HB1 ASP 68 -3.518 -10.598 -16.673 521 H LYS 69 HN LYS 69 -2.581 -9.791 -14.199 522 HA LYS 69 HA LYS 69 0.143 -10.711 -14.825 523 HB2 LYS 69 HB2 LYS 69 0.446 -8.059 -14.365 524 HB3 LYS 69 HB1 LYS 69 0.136 -8.755 -15.949 525 HG2 LYS 69 HG2 LYS 69 -2.285 -8.375 -15.589 526 HG3 LYS 69 HG1 LYS 69 -1.892 -7.558 -14.075 527 HD2 LYS 69 HD2 LYS 69 -0.285 -6.499 -16.204 528 HD3 LYS 69 HD1 LYS 69 -1.989 -6.447 -16.657 529 HE2 LYS 69 HE2 LYS 69 -1.922 -5.609 -14.001 530 HE3 LYS 69 HE1 LYS 69 -0.534 -4.829 -14.756 531 HZ1 LYS 69 HZ1 LYS 69 -2.944 -4.719 -16.333 532 HZ2 LYS 69 HZ2 LYS 69 -1.846 -3.491 -15.949 533 HZ3 LYS 69 HZ3 LYS 69 -3.064 -3.910 -14.852 534 H GLY 70 HN GLY 70 -1.922 -10.327 -12.249 535 HA2 GLY 70 HA2 GLY 70 -1.594 -10.392 -9.976 536 HA3 GLY 70 HA1 GLY 70 0.066 -10.857 -10.321 537 H ILE 71 HN ILE 71 -1.988 -7.951 -10.539 538 HA ILE 71 HA ILE 71 0.023 -6.472 -9.020 539 HB ILE 71 HB ILE 71 -1.073 -5.147 -11.464 540 HG12 ILE 71 HG12 ILE 71 1.236 -7.088 -11.367 541 HG13 ILE 71 HG11 ILE 71 -0.159 -7.122 -12.438 542 HG21 ILE 71 HG21 ILE 71 0.120 -3.864 -9.722 543 HG22 ILE 71 HG22 ILE 71 0.936 -3.817 -11.286 544 HG23 ILE 71 HG23 ILE 71 1.548 -4.860 -10.001 545 HD11 ILE 71 HD11 ILE 71 1.201 -6.186 -13.929 546 HD12 ILE 71 HD12 ILE 71 2.369 -5.708 -12.698 547 HD13 ILE 71 HD13 ILE 71 0.960 -4.697 -13.015 548 H PHE 72 HN PHE 72 -0.966 -5.423 -7.445 549 HA PHE 72 HA PHE 72 -3.760 -4.580 -7.844 550 HB2 PHE 72 HB2 PHE 72 -3.832 -6.185 -6.140 551 HB3 PHE 72 HB1 PHE 72 -2.315 -5.640 -5.434 552 HD1 PHE 72 HD2 PHE 72 -5.106 -3.432 -6.405 553 HD2 PHE 72 HD1 PHE 72 -3.053 -5.352 -3.209 554 HE1 PHE 72 HE2 PHE 72 -6.357 -2.065 -4.786 555 HE2 PHE 72 HE1 PHE 72 -4.301 -3.990 -1.583 556 HZ PHE 72 HZ PHE 72 -5.956 -2.343 -2.371 557 H THR 73 HN THR 73 -3.963 -2.466 -8.092 558 HA THR 73 HA THR 73 -2.088 -0.684 -6.675 559 HB THR 73 HB THR 73 -3.602 -0.073 -9.219 560 HG1 THR 73 HG1 THR 73 -1.300 -1.442 -8.847 561 HG21 THR 73 HG21 THR 73 -1.329 1.408 -7.905 562 HG22 THR 73 HG22 THR 73 -3.026 1.874 -7.795 563 HG23 THR 73 HG23 THR 73 -2.208 1.887 -9.357 564 H ILE 74 HN ILE 74 -2.921 0.689 -5.222 565 HA ILE 74 HA ILE 74 -5.778 1.364 -5.396 566 HB ILE 74 HB ILE 74 -5.756 -0.368 -3.772 567 HG12 ILE 74 HG12 ILE 74 -5.689 1.659 -1.707 568 HG13 ILE 74 HG11 ILE 74 -6.490 2.270 -3.151 569 HG21 ILE 74 HG21 ILE 74 -3.764 -0.858 -2.885 570 HG22 ILE 74 HG22 ILE 74 -4.163 0.347 -1.661 571 HG23 ILE 74 HG23 ILE 74 -3.180 0.798 -3.053 572 HD11 ILE 74 HD11 ILE 74 -7.226 -0.382 -1.980 573 HD12 ILE 74 HD12 ILE 74 -8.165 0.664 -3.045 574 HD13 ILE 74 HD13 ILE 74 -7.909 1.121 -1.361 575 H ARG 75 HN ARG 75 -5.989 3.496 -5.480 576 HA ARG 75 HA ARG 75 -3.898 5.236 -4.457 577 HB2 ARG 75 HB2 ARG 75 -6.463 5.959 -5.884 578 HB3 ARG 75 HB1 ARG 75 -5.089 7.018 -5.598 579 HG2 ARG 75 HG2 ARG 75 -4.140 6.356 -7.484 580 HG3 ARG 75 HG1 ARG 75 -4.198 4.672 -6.961 581 HD2 ARG 75 HD2 ARG 75 -6.731 5.865 -7.919 582 HD3 ARG 75 HD1 ARG 75 -5.481 5.579 -9.129 583 HE ARG 75 HE ARG 75 -6.111 3.352 -7.371 584 HH11 ARG 75 HH11 ARG 75 -6.595 4.898 -10.457 585 HH12 ARG 75 HH12 ARG 75 -7.171 3.459 -11.231 586 HH21 ARG 75 HH21 ARG 75 -6.870 1.455 -8.382 587 HH22 ARG 75 HH22 ARG 75 -7.326 1.502 -10.053 588 H LEU 76 HN LEU 76 -4.186 6.827 -2.909 589 HA LEU 76 HA LEU 76 -6.662 6.675 -1.336 590 HB2 LEU 76 HB2 LEU 76 -3.886 6.799 -0.168 591 HB3 LEU 76 HB1 LEU 76 -5.392 6.690 0.716 592 HG LEU 76 HG LEU 76 -4.421 4.537 -1.153 593 HD11 LEU 76 HD11 LEU 76 -2.941 5.050 0.884 594 HD12 LEU 76 HD12 LEU 76 -3.471 3.387 0.633 595 HD13 LEU 76 HD13 LEU 76 -4.273 4.397 1.836 596 HD21 LEU 76 HD21 LEU 76 -6.723 4.286 -0.876 597 HD22 LEU 76 HD22 LEU 76 -6.669 4.781 0.815 598 HD23 LEU 76 HD23 LEU 76 -6.032 3.209 0.337 599 HA PRO 77 HA PRO 77 -6.419 11.096 -1.600 600 HB2 PRO 77 HB2 PRO 77 -8.362 11.715 0.159 601 HB3 PRO 77 HB1 PRO 77 -8.719 10.996 -1.415 602 HG2 PRO 77 HG2 PRO 77 -8.580 9.695 1.274 603 HG3 PRO 77 HG1 PRO 77 -9.755 9.447 -0.029 604 HD2 PRO 77 HD2 PRO 77 -7.646 7.770 0.452 605 HD3 PRO 77 HD1 PRO 77 -8.392 7.982 -1.146 606 H LYS 78 HN LYS 78 -5.593 12.862 -0.459 607 HA LYS 78 HA LYS 78 -4.236 12.159 2.030 608 HB2 LYS 78 HB2 LYS 78 -3.791 14.191 -0.110 609 HB3 LYS 78 HB1 LYS 78 -3.205 14.541 1.510 610 HG2 LYS 78 HG2 LYS 78 -1.763 12.674 1.500 611 HG3 LYS 78 HG1 LYS 78 -2.529 11.999 0.061 612 HD2 LYS 78 HD2 LYS 78 -1.400 13.372 -1.349 613 HD3 LYS 78 HD1 LYS 78 -1.382 14.713 -0.201 614 HE2 LYS 78 HE2 LYS 78 0.777 14.213 0.096 615 HE3 LYS 78 HE1 LYS 78 0.194 12.840 1.036 616 HZ1 LYS 78 HZ1 LYS 78 0.899 12.827 -1.848 617 HZ2 LYS 78 HZ2 LYS 78 0.240 11.513 -1.014 618 HZ3 LYS 78 HZ3 LYS 78 1.770 12.097 -0.595 619 H GLU 79 HN GLU 79 -4.232 13.650 3.810 620 HA GLU 79 HA GLU 79 -6.857 14.778 4.251 621 HB2 GLU 79 HB2 GLU 79 -5.646 13.431 5.972 622 HB3 GLU 79 HB1 GLU 79 -4.474 14.731 6.107 623 HG2 GLU 79 HG2 GLU 79 -7.088 15.820 6.398 624 HG3 GLU 79 HG1 GLU 79 -6.927 14.426 7.463 625 H THR 80 HN THR 80 -4.016 15.873 2.923 626 HA THR 80 HA THR 80 -4.896 18.624 3.064 627 HB THR 80 HB THR 80 -2.138 17.889 4.068 628 HG1 THR 80 HG1 THR 80 -4.085 19.275 5.571 629 HG21 THR 80 HG21 THR 80 -1.575 20.082 4.035 630 HG22 THR 80 HG22 THR 80 -3.223 20.623 4.353 631 HG23 THR 80 HG23 THR 80 -2.755 20.130 2.726 632 HA PRO 81 HA PRO 81 -3.612 17.385 -1.190 633 HB2 PRO 81 HB2 PRO 81 -4.695 20.170 -1.396 634 HB3 PRO 81 HB1 PRO 81 -4.922 18.795 -2.485 635 HG2 PRO 81 HG2 PRO 81 -6.824 19.491 -0.752 636 HG3 PRO 81 HG1 PRO 81 -6.484 17.788 -1.105 637 HD2 PRO 81 HD2 PRO 81 -5.874 19.372 1.324 638 HD3 PRO 81 HD1 PRO 81 -6.141 17.627 1.149 639 H GLY 82 HN GLY 82 -2.072 18.286 -2.666 640 HA2 GLY 82 HA2 GLY 82 -0.249 19.568 -3.299 641 HA3 GLY 82 HA1 GLY 82 -0.563 20.628 -1.936 642 H GLN 83 HN GLN 83 -0.563 17.733 -0.536 643 HA GLN 83 HA GLN 83 2.150 18.034 0.418 644 HB2 GLN 83 HB2 GLN 83 0.632 17.543 2.133 645 HB3 GLN 83 HB1 GLN 83 -0.181 16.304 1.187 646 HG2 GLN 83 HG2 GLN 83 1.121 14.723 2.016 647 HG3 GLN 83 HG1 GLN 83 2.578 15.612 1.575 648 HE21 GLN 83 HE21 GLN 83 3.824 16.255 3.176 649 HE22 GLN 83 HE22 GLN 83 3.346 16.442 4.826 650 H HIS 84 HN HIS 84 3.826 16.596 0.171 651 HA HIS 84 HA HIS 84 3.392 14.373 -1.714 652 HB2 HIS 84 HB2 HIS 84 4.496 16.039 -2.996 653 HB3 HIS 84 HB1 HIS 84 5.604 16.423 -1.685 654 HD1 HIS 84 HD1 HIS 84 5.881 15.088 -4.808 655 HD2 HIS 84 HD2 HIS 84 6.968 13.590 -1.087 656 HE1 HIS 84 HE1 HIS 84 7.648 13.360 -5.268 657 HE2 HIS 84 HE2 HIS 84 8.215 12.397 -3.010 658 H PHE 85 HN PHE 85 3.913 12.475 -0.864 659 HA PHE 85 HA PHE 85 5.459 12.332 1.574 660 HB2 PHE 85 HB2 PHE 85 3.983 10.305 -0.095 661 HB3 PHE 85 HB1 PHE 85 5.000 9.827 1.257 662 HD1 PHE 85 HD2 PHE 85 3.506 12.987 1.806 663 HD2 PHE 85 HD1 PHE 85 2.747 8.804 1.994 664 HE1 PHE 85 HE2 PHE 85 1.634 13.401 3.351 665 HE2 PHE 85 HE1 PHE 85 0.876 9.210 3.541 666 HZ PHE 85 HZ PHE 85 0.318 11.510 4.221 667 H GLU 86 HN GLU 86 7.539 12.847 1.073 668 HA GLU 86 HA GLU 86 8.933 11.833 -1.181 669 HB2 GLU 86 HB2 GLU 86 9.726 13.338 1.284 670 HB3 GLU 86 HB1 GLU 86 10.954 12.697 0.202 671 HG2 GLU 86 HG2 GLU 86 9.648 13.923 -1.648 672 HG3 GLU 86 HG1 GLU 86 8.903 14.807 -0.317 673 H GLY 87 HN GLY 87 11.158 10.815 -0.795 674 HA2 GLY 87 HA2 GLY 87 12.088 8.699 -0.542 675 HA3 GLY 87 HA1 GLY 87 12.039 9.214 1.134 676 H LEU 88 HN LEU 88 9.299 8.318 -0.955 677 HA LEU 88 HA LEU 88 8.104 6.734 1.033 678 HB2 LEU 88 HB2 LEU 88 7.677 7.195 -1.850 679 HB3 LEU 88 HB1 LEU 88 7.041 5.689 -1.221 680 HG LEU 88 HG LEU 88 6.407 8.278 0.149 681 HD11 LEU 88 HD11 LEU 88 4.361 8.423 -1.211 682 HD12 LEU 88 HD12 LEU 88 4.977 7.132 -2.243 683 HD13 LEU 88 HD13 LEU 88 5.825 8.676 -2.160 684 HD21 LEU 88 HD21 LEU 88 4.772 7.104 1.211 685 HD22 LEU 88 HD22 LEU 88 5.911 5.789 0.921 686 HD23 LEU 88 HD23 LEU 88 4.522 6.004 -0.146 687 H ASN 89 HN ASN 89 9.671 5.592 -2.014 688 HA ASN 89 HA ASN 89 9.947 2.949 -0.904 689 HB2 ASN 89 HB2 ASN 89 9.876 4.076 -3.497 690 HB3 ASN 89 HB1 ASN 89 11.464 3.338 -3.316 691 HD21 ASN 89 HD21 ASN 89 11.590 1.107 -2.826 692 HD22 ASN 89 HD22 ASN 89 10.291 0.040 -3.225 693 H MET 90 HN MET 90 11.462 5.537 -0.029 694 HA MET 90 HA MET 90 14.164 4.371 -0.054 695 HB2 MET 90 HB2 MET 90 13.348 7.250 0.426 696 HB3 MET 90 HB1 MET 90 14.997 6.637 0.404 697 HG2 MET 90 HG2 MET 90 14.867 6.160 -1.925 698 HG3 MET 90 HG1 MET 90 13.137 6.501 -1.954 699 HE1 MET 90 HE1 MET 90 16.646 8.670 -2.750 700 HE2 MET 90 HE2 MET 90 16.561 7.578 -1.368 701 HE3 MET 90 HE3 MET 90 16.524 9.323 -1.116 702 H LEU 91 HN LEU 91 11.535 5.655 1.819 703 HA LEU 91 HA LEU 91 12.592 5.958 4.328 704 HB2 LEU 91 HB2 LEU 91 10.004 5.591 3.162 705 HB3 LEU 91 HB1 LEU 91 10.105 4.611 4.612 706 HG LEU 91 HG LEU 91 10.506 7.595 4.418 707 HD11 LEU 91 HD11 LEU 91 8.430 5.959 5.867 708 HD12 LEU 91 HD12 LEU 91 8.177 6.791 4.333 709 HD13 LEU 91 HD13 LEU 91 8.524 7.718 5.793 710 HD21 LEU 91 HD21 LEU 91 11.132 7.672 6.642 711 HD22 LEU 91 HD22 LEU 91 11.992 6.243 6.068 712 HD23 LEU 91 HD23 LEU 91 10.496 6.063 6.985 713 H THR 92 HN THR 92 11.938 4.362 6.213 714 HA THR 92 HA THR 92 12.648 1.612 5.473 715 HB THR 92 HB THR 92 13.875 1.981 7.943 716 HG1 THR 92 HG1 THR 92 14.128 4.138 7.888 717 HG21 THR 92 HG21 THR 92 14.532 1.145 5.321 718 HG22 THR 92 HG22 THR 92 15.401 0.819 6.821 719 HG23 THR 92 HG23 THR 92 15.803 2.243 5.861 720 H ALA 93 HN ALA 93 12.440 0.170 7.535 721 HA ALA 93 HA ALA 93 9.832 0.808 8.715 722 HB1 ALA 93 HB1 ALA 93 9.598 -1.249 7.700 723 HB2 ALA 93 HB2 ALA 93 9.982 -1.709 9.359 724 HB3 ALA 93 HB3 ALA 93 11.233 -1.761 8.117 725 H LEU 94 HN LEU 94 9.526 0.992 10.863 726 HA LEU 94 HA LEU 94 11.916 1.049 12.537 727 HB2 LEU 94 HB2 LEU 94 10.133 1.987 14.208 728 HB3 LEU 94 HB1 LEU 94 10.775 2.997 12.926 729 HG LEU 94 HG LEU 94 8.279 1.466 12.378 730 HD11 LEU 94 HD11 LEU 94 7.333 2.301 14.240 731 HD12 LEU 94 HD12 LEU 94 7.257 3.788 13.297 732 HD13 LEU 94 HD13 LEU 94 8.573 3.538 14.445 733 HD21 LEU 94 HD21 LEU 94 9.801 3.379 11.055 734 HD22 LEU 94 HD22 LEU 94 8.385 4.256 11.637 735 HD23 LEU 94 HD23 LEU 94 8.183 2.827 10.623 736 H LEU 95 HN LEU 95 12.432 -0.664 13.701 737 HA LEU 95 HA LEU 95 10.365 -2.620 14.385 738 HB2 LEU 95 HB2 LEU 95 13.314 -2.704 14.038 739 HB3 LEU 95 HB1 LEU 95 12.606 -3.823 15.186 740 HG LEU 95 HG LEU 95 11.317 -4.893 13.498 741 HD11 LEU 95 HD11 LEU 95 11.448 -4.080 11.114 742 HD12 LEU 95 HD12 LEU 95 12.128 -2.583 11.751 743 HD13 LEU 95 HD13 LEU 95 10.501 -3.081 12.217 744 HD21 LEU 95 HD21 LEU 95 14.182 -4.520 13.150 745 HD22 LEU 95 HD22 LEU 95 13.365 -5.000 11.662 746 HD23 LEU 95 HD23 LEU 95 13.217 -5.997 13.110 747 H ALA 96 HN ALA 96 9.434 -2.405 16.306 748 HA ALA 96 HA ALA 96 9.087 -1.961 18.508 749 HB1 ALA 96 HB1 ALA 96 10.421 -3.137 19.868 750 HB2 ALA 96 HB2 ALA 96 11.868 -2.268 19.359 751 HB3 ALA 96 HB3 ALA 96 11.259 -3.611 18.391 Start of MODEL 13 1 H MET 1 H MET 1 10.148 -18.552 0.175 2 HA MET 1 HA MET 1 7.994 -16.696 0.922 3 HB2 MET 1 HB2 MET 1 9.793 -18.517 2.308 4 HB3 MET 1 HB1 MET 1 9.949 -16.868 2.897 5 HG2 MET 1 HG2 MET 1 8.277 -18.382 4.065 6 HG3 MET 1 HG1 MET 1 7.729 -16.774 3.593 7 HE1 MET 1 HE1 MET 1 7.476 -20.411 1.161 8 HE2 MET 1 HE2 MET 1 6.446 -20.834 2.528 9 HE3 MET 1 HE3 MET 1 8.110 -20.315 2.803 10 H LEU 2 HN LEU 2 8.969 -15.508 -1.041 11 HA LEU 2 HA LEU 2 11.340 -13.985 -0.187 12 HB2 LEU 2 HB2 LEU 2 11.853 -13.573 -2.466 13 HB3 LEU 2 HB1 LEU 2 11.526 -15.288 -2.317 14 HG LEU 2 HG LEU 2 9.140 -13.785 -3.031 15 HD11 LEU 2 HD11 LEU 2 10.432 -12.269 -4.233 16 HD12 LEU 2 HD12 LEU 2 10.010 -13.492 -5.432 17 HD13 LEU 2 HD13 LEU 2 11.613 -13.494 -4.697 18 HD21 LEU 2 HD21 LEU 2 10.158 -15.690 -4.958 19 HD22 LEU 2 HD22 LEU 2 8.668 -15.724 -4.015 20 HD23 LEU 2 HD23 LEU 2 10.165 -16.344 -3.320 21 H THR 3 HN THR 3 11.361 -11.705 -0.576 22 HA THR 3 HA THR 3 8.780 -10.491 -0.114 23 HB THR 3 HB THR 3 10.973 -8.622 -0.535 24 HG1 THR 3 HG1 THR 3 11.329 -10.258 1.730 25 HG21 THR 3 HG21 THR 3 8.839 -8.176 0.665 26 HG22 THR 3 HG22 THR 3 10.277 -7.788 1.609 27 HG23 THR 3 HG23 THR 3 9.378 -9.268 1.941 28 HA PRO 4 HA PRO 4 7.980 -9.869 -4.482 29 HB2 PRO 4 HB2 PRO 4 6.110 -7.866 -3.321 30 HB3 PRO 4 HB1 PRO 4 5.802 -9.140 -4.505 31 HG2 PRO 4 HG2 PRO 4 4.999 -9.386 -1.971 32 HG3 PRO 4 HG1 PRO 4 5.596 -10.778 -2.889 33 HD2 PRO 4 HD2 PRO 4 6.933 -9.211 -0.739 34 HD3 PRO 4 HD1 PRO 4 7.069 -10.936 -1.135 35 H ALA 5 HN ALA 5 7.841 -7.967 -5.940 36 HA ALA 5 HA ALA 5 9.734 -5.898 -5.072 37 HB1 ALA 5 HB1 ALA 5 10.071 -5.451 -7.466 38 HB2 ALA 5 HB2 ALA 5 8.908 -6.717 -7.855 39 HB3 ALA 5 HB3 ALA 5 10.422 -7.129 -7.050 40 H PHE 6 HN PHE 6 7.501 -5.310 -3.924 41 HA PHE 6 HA PHE 6 5.478 -4.056 -5.389 42 HB2 PHE 6 HB2 PHE 6 4.723 -3.178 -3.305 43 HB3 PHE 6 HB1 PHE 6 5.390 -4.770 -2.971 44 HD1 PHE 6 HD1 PHE 6 5.863 -1.162 -2.570 45 HD2 PHE 6 HD2 PHE 6 7.390 -5.030 -1.663 46 HE1 PHE 6 HE1 PHE 6 7.333 -0.176 -0.863 47 HE2 PHE 6 HE2 PHE 6 8.863 -4.050 0.048 48 HZ PHE 6 HZ PHE 6 8.836 -1.621 0.449 49 H ASP 7 HN ASP 7 4.950 -1.663 -5.090 50 HA ASP 7 HA ASP 7 7.230 0.114 -5.048 51 HB2 ASP 7 HB2 ASP 7 6.932 -0.884 -7.436 52 HB3 ASP 7 HB1 ASP 7 5.536 0.187 -7.530 53 H LEU 8 HN LEU 8 6.651 2.290 -4.777 54 HA LEU 8 HA LEU 8 3.791 2.711 -4.213 55 HB2 LEU 8 HB2 LEU 8 5.982 4.305 -2.927 56 HB3 LEU 8 HB1 LEU 8 4.326 4.090 -2.396 57 HG LEU 8 HG LEU 8 6.299 1.819 -2.420 58 HD11 LEU 8 HD11 LEU 8 7.411 3.112 -0.915 59 HD12 LEU 8 HD12 LEU 8 6.200 2.414 0.161 60 HD13 LEU 8 HD13 LEU 8 5.974 4.040 -0.483 61 HD21 LEU 8 HD21 LEU 8 3.547 1.956 -1.999 62 HD22 LEU 8 HD22 LEU 8 4.254 1.812 -0.390 63 HD23 LEU 8 HD23 LEU 8 4.617 0.605 -1.624 64 H SER 9 HN SER 9 2.791 4.465 -5.015 65 HA SER 9 HA SER 9 4.352 6.525 -6.383 66 HB2 SER 9 HB2 SER 9 3.803 5.071 -8.213 67 HB3 SER 9 HB1 SER 9 2.145 4.878 -7.641 68 HG SER 9 HG SER 9 2.730 7.485 -8.020 69 H GLN 10 HN GLN 10 3.560 8.528 -5.991 70 HA GLN 10 HA GLN 10 0.837 8.688 -4.895 71 HB2 GLN 10 HB2 GLN 10 1.513 9.992 -3.098 72 HB3 GLN 10 HB1 GLN 10 2.788 8.789 -3.215 73 HG2 GLN 10 HG2 GLN 10 2.982 11.518 -4.456 74 HG3 GLN 10 HG1 GLN 10 3.545 11.148 -2.826 75 HE21 GLN 10 HE21 GLN 10 5.685 11.202 -2.948 76 HE22 GLN 10 HE22 GLN 10 6.650 10.330 -4.085 77 H ASP 11 HN ASP 11 -0.362 10.426 -5.371 78 HA ASP 11 HA ASP 11 0.660 12.235 -7.441 79 HB2 ASP 11 HB2 ASP 11 -1.955 10.987 -6.887 80 HB3 ASP 11 HB1 ASP 11 -2.034 12.682 -7.362 81 HA PRO 12 HA PRO 12 0.515 15.803 -4.875 82 HB2 PRO 12 HB2 PRO 12 -0.855 17.612 -6.417 83 HB3 PRO 12 HB1 PRO 12 0.840 17.179 -6.664 84 HG2 PRO 12 HG2 PRO 12 -1.598 16.177 -8.080 85 HG3 PRO 12 HG1 PRO 12 -0.016 16.622 -8.750 86 HD2 PRO 12 HD2 PRO 12 -0.710 14.056 -8.361 87 HD3 PRO 12 HD1 PRO 12 0.957 14.618 -8.115 88 H ASP 13 HN ASP 13 -2.332 14.146 -5.618 89 HA ASP 13 HA ASP 13 -3.749 15.601 -3.510 90 HB2 ASP 13 HB2 ASP 13 -4.988 14.730 -6.127 91 HB3 ASP 13 HB1 ASP 13 -5.862 15.411 -4.762 92 H PHE 14 HN PHE 14 -2.329 12.902 -4.153 93 HA PHE 14 HA PHE 14 -3.910 11.302 -2.416 94 HB2 PHE 14 HB2 PHE 14 -3.845 10.357 -5.290 95 HB3 PHE 14 HB1 PHE 14 -4.589 9.534 -3.932 96 HD1 PHE 14 HD1 PHE 14 -4.870 12.364 -6.246 97 HD2 PHE 14 HD2 PHE 14 -6.747 10.140 -3.142 98 HE1 PHE 14 HE1 PHE 14 -7.007 13.473 -6.751 99 HE2 PHE 14 HE2 PHE 14 -8.888 11.247 -3.638 100 HZ PHE 14 HZ PHE 14 -9.021 12.915 -5.446 101 H LEU 15 HN LEU 15 -3.125 8.999 -2.378 102 HA LEU 15 HA LEU 15 -0.333 8.691 -3.225 103 HB2 LEU 15 HB2 LEU 15 -0.032 9.326 -0.967 104 HB3 LEU 15 HB1 LEU 15 -1.413 8.393 -0.431 105 HG LEU 15 HG LEU 15 1.041 7.571 0.021 106 HD11 LEU 15 HD11 LEU 15 -0.778 5.454 -1.020 107 HD12 LEU 15 HD12 LEU 15 -1.299 6.443 0.344 108 HD13 LEU 15 HD13 LEU 15 0.181 5.491 0.460 109 HD21 LEU 15 HD21 LEU 15 2.191 6.642 -1.662 110 HD22 LEU 15 HD22 LEU 15 1.141 7.606 -2.704 111 HD23 LEU 15 HD23 LEU 15 0.749 5.918 -2.375 112 H THR 16 HN THR 16 -0.390 6.913 -4.541 113 HA THR 16 HA THR 16 -2.264 4.779 -3.826 114 HB THR 16 HB THR 16 -0.914 5.382 -6.464 115 HG1 THR 16 HG1 THR 16 -2.938 6.570 -5.567 116 HG21 THR 16 HG21 THR 16 -2.578 3.608 -7.269 117 HG22 THR 16 HG22 THR 16 -2.672 3.115 -5.578 118 HG23 THR 16 HG23 THR 16 -1.129 3.050 -6.432 119 H ILE 17 HN ILE 17 -1.595 2.669 -3.728 120 HA ILE 17 HA ILE 17 1.318 2.250 -3.595 121 HB ILE 17 HB ILE 17 -0.735 0.720 -2.001 122 HG12 ILE 17 HG12 ILE 17 0.970 2.999 -0.982 123 HG13 ILE 17 HG11 ILE 17 -0.683 3.234 -1.541 124 HG21 ILE 17 HG21 ILE 17 1.661 0.730 -0.648 125 HG22 ILE 17 HG22 ILE 17 2.156 0.613 -2.337 126 HG23 ILE 17 HG23 ILE 17 1.050 -0.581 -1.658 127 HD11 ILE 17 HD11 ILE 17 -1.021 1.214 0.224 128 HD12 ILE 17 HD12 ILE 17 -1.189 2.929 0.608 129 HD13 ILE 17 HD13 ILE 17 0.323 2.091 0.957 130 H ALA 18 HN ALA 18 2.067 0.104 -4.195 131 HA ALA 18 HA ALA 18 0.174 -1.490 -5.747 132 HB1 ALA 18 HB1 ALA 18 2.676 -0.284 -6.908 133 HB2 ALA 18 HB2 ALA 18 1.012 -0.025 -7.429 134 HB3 ALA 18 HB3 ALA 18 1.774 -1.599 -7.663 135 H ILE 19 HN ILE 19 0.406 -3.548 -5.270 136 HA ILE 19 HA ILE 19 3.066 -4.537 -4.470 137 HB ILE 19 HB ILE 19 0.651 -5.893 -3.398 138 HG12 ILE 19 HG12 ILE 19 1.750 -3.406 -2.082 139 HG13 ILE 19 HG11 ILE 19 0.303 -3.399 -3.085 140 HG21 ILE 19 HG21 ILE 19 2.937 -6.731 -3.018 141 HG22 ILE 19 HG22 ILE 19 2.110 -6.318 -1.516 142 HG23 ILE 19 HG23 ILE 19 3.329 -5.229 -2.180 143 HD11 ILE 19 HD11 ILE 19 0.176 -3.631 -0.470 144 HD12 ILE 19 HD12 ILE 19 0.441 -5.335 -0.840 145 HD13 ILE 19 HD13 ILE 19 -0.947 -4.488 -1.525 146 H ARG 20 HN ARG 20 3.772 -6.330 -5.500 147 HA ARG 20 HA ARG 20 1.902 -7.609 -7.374 148 HB2 ARG 20 HB2 ARG 20 3.739 -6.801 -8.593 149 HB3 ARG 20 HB1 ARG 20 4.889 -7.276 -7.355 150 HG2 ARG 20 HG2 ARG 20 3.789 -9.679 -8.131 151 HG3 ARG 20 HG1 ARG 20 3.874 -8.763 -9.635 152 HD2 ARG 20 HD2 ARG 20 6.217 -8.392 -9.359 153 HD3 ARG 20 HD1 ARG 20 6.186 -9.055 -7.726 154 HE ARG 20 HE ARG 20 5.353 -11.146 -9.162 155 HH11 ARG 20 HH11 ARG 20 8.006 -8.943 -9.649 156 HH12 ARG 20 HH12 ARG 20 9.005 -10.116 -10.440 157 HH21 ARG 20 HH21 ARG 20 6.663 -12.701 -10.204 158 HH22 ARG 20 HH22 ARG 20 8.242 -12.252 -10.755 159 H VAL 21 HN VAL 21 1.098 -9.472 -6.772 160 HA VAL 21 HA VAL 21 2.796 -11.443 -5.442 161 HB VAL 21 HB VAL 21 0.893 -11.938 -3.822 162 HG11 VAL 21 HG11 VAL 21 2.070 -9.243 -3.284 163 HG12 VAL 21 HG12 VAL 21 3.117 -10.655 -3.418 164 HG13 VAL 21 HG13 VAL 21 1.852 -10.609 -2.190 165 HG21 VAL 21 HG21 VAL 21 0.037 -9.141 -3.878 166 HG22 VAL 21 HG22 VAL 21 -0.912 -10.613 -3.672 167 HG23 VAL 21 HG23 VAL 21 -0.464 -10.072 -5.289 168 H SER 22 HN SER 22 2.500 -13.410 -6.252 169 HA SER 22 HA SER 22 0.164 -13.878 -7.959 170 HB2 SER 22 HB2 SER 22 2.958 -14.924 -7.902 171 HB3 SER 22 HB1 SER 22 1.694 -15.983 -8.523 172 HG SER 22 HG SER 22 2.919 -14.118 -9.839 173 H TYR 23 HN TYR 23 2.124 -15.518 -5.479 174 HA TYR 23 HA TYR 23 0.459 -17.743 -5.128 175 HB2 TYR 23 HB2 TYR 23 2.435 -16.365 -3.321 176 HB3 TYR 23 HB1 TYR 23 1.524 -17.768 -2.778 177 HD1 TYR 23 HD1 TYR 23 3.228 -16.938 -6.003 178 HD2 TYR 23 HD2 TYR 23 2.903 -19.611 -2.710 179 HE1 TYR 23 HE1 TYR 23 4.896 -18.413 -7.044 180 HE2 TYR 23 HE2 TYR 23 4.570 -21.095 -3.742 181 HH TYR 23 HH TYR 23 6.053 -20.295 -6.872 182 H ALA 24 HN ALA 24 -0.039 -14.490 -4.335 183 HA ALA 24 HA ALA 24 -1.531 -14.600 -1.993 184 HB1 ALA 24 HB1 ALA 24 -0.888 -12.638 -3.855 185 HB2 ALA 24 HB2 ALA 24 -1.763 -12.419 -2.340 186 HB3 ALA 24 HB3 ALA 24 -2.651 -12.686 -3.840 187 H ARG 25 HN ARG 25 -2.706 -16.595 -2.173 188 HA ARG 25 HA ARG 25 -4.977 -16.582 -4.018 189 HB2 ARG 25 HB2 ARG 25 -3.520 -18.679 -2.491 190 HB3 ARG 25 HB1 ARG 25 -5.223 -18.951 -2.835 191 HG2 ARG 25 HG2 ARG 25 -4.880 -18.976 -5.139 192 HG3 ARG 25 HG1 ARG 25 -3.308 -18.182 -5.003 193 HD2 ARG 25 HD2 ARG 25 -2.323 -20.161 -4.974 194 HD3 ARG 25 HD1 ARG 25 -3.181 -20.563 -3.490 195 HE ARG 25 HE ARG 25 -3.860 -21.402 -6.188 196 HH11 ARG 25 HH11 ARG 25 -4.810 -21.199 -2.841 197 HH12 ARG 25 HH12 ARG 25 -6.008 -22.443 -2.972 198 HH21 ARG 25 HH21 ARG 25 -5.437 -23.038 -6.368 199 HH22 ARG 25 HH22 ARG 25 -6.365 -23.486 -4.977 200 H VAL 26 HN VAL 26 -6.242 -14.992 -2.943 201 HA VAL 26 HA VAL 26 -7.696 -16.069 -0.649 202 HB VAL 26 HB VAL 26 -7.580 -13.420 0.047 203 HG11 VAL 26 HG11 VAL 26 -5.552 -15.292 1.172 204 HG12 VAL 26 HG12 VAL 26 -7.264 -15.687 1.325 205 HG13 VAL 26 HG13 VAL 26 -6.644 -14.180 2.000 206 HG21 VAL 26 HG21 VAL 26 -5.815 -12.938 -1.545 207 HG22 VAL 26 HG22 VAL 26 -4.832 -14.244 -0.887 208 HG23 VAL 26 HG23 VAL 26 -5.190 -12.828 0.100 209 H SER 27 HN SER 27 -9.804 -15.369 -0.457 210 HA SER 27 HA SER 27 -10.895 -14.050 -2.831 211 HB2 SER 27 HB2 SER 27 -11.758 -16.215 -1.191 212 HB3 SER 27 HB1 SER 27 -12.951 -14.924 -1.047 213 HG SER 27 HG SER 27 -13.583 -15.352 -2.997 214 H GLU 28 HN GLU 28 -9.616 -12.875 -0.243 215 HA GLU 28 HA GLU 28 -11.122 -10.494 -0.223 216 HB2 GLU 28 HB2 GLU 28 -12.536 -12.142 1.189 217 HB3 GLU 28 HB1 GLU 28 -11.298 -11.918 2.416 218 HG2 GLU 28 HG2 GLU 28 -11.850 -9.704 2.759 219 HG3 GLU 28 HG1 GLU 28 -12.608 -9.541 1.175 220 H PHE 29 HN PHE 29 -9.398 -9.191 -0.215 221 HA PHE 29 HA PHE 29 -7.071 -9.835 1.395 222 HB2 PHE 29 HB2 PHE 29 -7.526 -7.385 -0.315 223 HB3 PHE 29 HB1 PHE 29 -5.992 -7.969 0.312 224 HD1 PHE 29 HD1 PHE 29 -7.511 -10.884 -0.524 225 HD2 PHE 29 HD2 PHE 29 -5.936 -7.404 -2.402 226 HE1 PHE 29 HE1 PHE 29 -7.156 -12.165 -2.593 227 HE2 PHE 29 HE2 PHE 29 -5.575 -8.679 -4.474 228 HZ PHE 29 HZ PHE 29 -6.187 -11.064 -4.572 229 H ASP 30 HN ASP 30 -6.229 -8.518 3.040 230 HA ASP 30 HA ASP 30 -8.250 -6.815 4.325 231 HB2 ASP 30 HB2 ASP 30 -6.106 -8.601 5.358 232 HB3 ASP 30 HB1 ASP 30 -6.462 -7.148 6.288 233 H VAL 31 HN VAL 31 -7.973 -4.735 3.893 234 HA VAL 31 HA VAL 31 -5.225 -3.669 3.886 235 HB VAL 31 HB VAL 31 -7.436 -2.284 2.420 236 HG11 VAL 31 HG11 VAL 31 -5.657 -0.892 2.321 237 HG12 VAL 31 HG12 VAL 31 -5.208 -1.930 0.968 238 HG13 VAL 31 HG13 VAL 31 -4.488 -2.192 2.556 239 HG21 VAL 31 HG21 VAL 31 -7.678 -4.300 1.330 240 HG22 VAL 31 HG22 VAL 31 -5.987 -4.747 1.557 241 HG23 VAL 31 HG23 VAL 31 -6.424 -3.525 0.362 242 H TYR 32 HN TYR 32 -4.878 -2.500 5.636 243 HA TYR 32 HA TYR 32 -7.068 -0.810 6.638 244 HB2 TYR 32 HB2 TYR 32 -5.006 -2.363 8.208 245 HB3 TYR 32 HB1 TYR 32 -6.034 -1.119 8.917 246 HD1 TYR 32 HD1 TYR 32 -8.591 -1.443 8.643 247 HD2 TYR 32 HD2 TYR 32 -5.753 -4.568 8.122 248 HE1 TYR 32 HE1 TYR 32 -10.368 -3.106 8.989 249 HE2 TYR 32 HE2 TYR 32 -7.523 -6.240 8.467 250 HH TYR 32 HH TYR 32 -10.893 -5.329 8.694 251 H PHE 33 HN PHE 33 -6.648 1.256 6.423 252 HA PHE 33 HA PHE 33 -3.849 2.151 6.539 253 HB2 PHE 33 HB2 PHE 33 -4.480 3.972 4.997 254 HB3 PHE 33 HB1 PHE 33 -4.740 2.387 4.282 255 HD1 PHE 33 HD1 PHE 33 -6.411 5.317 5.759 256 HD2 PHE 33 HD2 PHE 33 -6.904 1.647 3.660 257 HE1 PHE 33 HE1 PHE 33 -8.743 5.920 5.259 258 HE2 PHE 33 HE2 PHE 33 -9.237 2.245 3.154 259 HZ PHE 33 HZ PHE 33 -10.158 4.385 3.954 260 H GLU 34 HN GLU 34 -3.493 3.160 8.411 261 HA GLU 34 HA GLU 34 -5.465 5.127 9.324 262 HB2 GLU 34 HB2 GLU 34 -4.561 4.102 11.700 263 HB3 GLU 34 HB1 GLU 34 -6.102 3.714 10.946 264 HG2 GLU 34 HG2 GLU 34 -5.299 1.698 10.075 265 HG3 GLU 34 HG1 GLU 34 -3.616 2.158 10.333 266 H GLY 35 HN GLY 35 -4.566 7.010 9.752 267 HA2 GLY 35 HA2 GLY 35 -2.892 8.601 9.882 268 HA3 GLY 35 HA1 GLY 35 -2.520 7.698 11.339 269 H SER 36 HN SER 36 -1.962 7.414 7.820 270 HA SER 36 HA SER 36 -0.065 7.024 6.627 271 HB2 SER 36 HB2 SER 36 1.958 7.248 8.664 272 HB3 SER 36 HB1 SER 36 1.634 8.313 7.299 273 HG SER 36 HG SER 36 1.397 9.079 9.645 274 H ASP 37 HN ASP 37 -1.381 4.915 8.368 275 HA ASP 37 HA ASP 37 0.889 3.033 8.397 276 HB2 ASP 37 HB2 ASP 37 -0.637 3.702 10.555 277 HB3 ASP 37 HB1 ASP 37 -1.509 2.297 9.950 278 H PHE 38 HN PHE 38 0.754 2.018 6.491 279 HA PHE 38 HA PHE 38 -1.870 1.090 5.557 280 HB2 PHE 38 HB2 PHE 38 -0.648 2.408 3.937 281 HB3 PHE 38 HB1 PHE 38 0.769 1.379 4.112 282 HD1 PHE 38 HD1 PHE 38 -2.728 1.455 2.928 283 HD2 PHE 38 HD2 PHE 38 1.005 -0.590 2.846 284 HE1 PHE 38 HE1 PHE 38 -3.553 0.037 1.100 285 HE2 PHE 38 HE2 PHE 38 0.187 -2.013 1.013 286 HZ PHE 38 HZ PHE 38 -2.094 -1.702 0.137 287 H LYS 39 HN LYS 39 -2.416 -0.966 5.812 288 HA LYS 39 HA LYS 39 -0.273 -2.975 5.996 289 HB2 LYS 39 HB2 LYS 39 -2.716 -2.609 7.696 290 HB3 LYS 39 HB1 LYS 39 -2.005 -4.206 7.498 291 HG2 LYS 39 HG2 LYS 39 0.036 -3.516 8.486 292 HG3 LYS 39 HG1 LYS 39 -0.442 -1.818 8.438 293 HD2 LYS 39 HD2 LYS 39 -2.454 -3.207 9.850 294 HD3 LYS 39 HD1 LYS 39 -0.901 -3.758 10.484 295 HE2 LYS 39 HE2 LYS 39 -0.277 -1.284 10.608 296 HE3 LYS 39 HE1 LYS 39 -1.996 -0.963 10.373 297 HZ1 LYS 39 HZ1 LYS 39 -0.822 -1.352 12.758 298 HZ2 LYS 39 HZ2 LYS 39 -1.420 -2.900 12.430 299 HZ3 LYS 39 HZ3 LYS 39 -2.471 -1.576 12.454 300 H PHE 40 HN PHE 40 -0.432 -4.633 4.637 301 HA PHE 40 HA PHE 40 -3.023 -5.156 3.334 302 HB2 PHE 40 HB2 PHE 40 -1.490 -3.982 1.790 303 HB3 PHE 40 HB1 PHE 40 -0.293 -5.247 2.033 304 HD1 PHE 40 HD1 PHE 40 -3.788 -4.730 0.863 305 HD2 PHE 40 HD2 PHE 40 -0.255 -7.095 0.650 306 HE1 PHE 40 HE1 PHE 40 -4.778 -6.039 -0.970 307 HE2 PHE 40 HE2 PHE 40 -1.237 -8.405 -1.186 308 HZ PHE 40 HZ PHE 40 -3.501 -7.878 -1.997 309 H TYR 41 HN TYR 41 -3.711 -7.187 3.688 310 HA TYR 41 HA TYR 41 -1.681 -9.294 3.960 311 HB2 TYR 41 HB2 TYR 41 -4.194 -9.159 5.631 312 HB3 TYR 41 HB1 TYR 41 -2.861 -10.296 5.794 313 HD1 TYR 41 HD1 TYR 41 -0.626 -9.439 6.588 314 HD2 TYR 41 HD2 TYR 41 -4.159 -7.072 6.734 315 HE1 TYR 41 HE1 TYR 41 0.444 -7.952 8.228 316 HE2 TYR 41 HE2 TYR 41 -3.097 -5.577 8.371 317 HH TYR 41 HH TYR 41 0.217 -6.160 9.515 318 H ALA 42 HN ALA 42 -2.010 -10.994 2.700 319 HA ALA 42 HA ALA 42 -4.662 -11.319 1.448 320 HB1 ALA 42 HB1 ALA 42 -3.309 -11.034 -0.380 321 HB2 ALA 42 HB2 ALA 42 -3.167 -12.780 -0.178 322 HB3 ALA 42 HB3 ALA 42 -1.896 -11.717 0.423 323 H LYS 43 HN LYS 43 -1.937 -13.527 1.676 324 HA LYS 43 HA LYS 43 -3.303 -15.196 3.606 325 HB2 LYS 43 HB2 LYS 43 -4.205 -16.484 1.982 326 HB3 LYS 43 HB1 LYS 43 -3.125 -15.867 0.746 327 HG2 LYS 43 HG2 LYS 43 -2.616 -18.131 0.875 328 HG3 LYS 43 HG1 LYS 43 -1.345 -17.366 1.825 329 HD2 LYS 43 HD2 LYS 43 -2.946 -17.785 3.828 330 HD3 LYS 43 HD1 LYS 43 -3.706 -18.956 2.749 331 HE2 LYS 43 HE2 LYS 43 -1.592 -20.119 2.484 332 HE3 LYS 43 HE1 LYS 43 -0.779 -18.914 3.480 333 HZ1 LYS 43 HZ1 LYS 43 -1.708 -21.207 4.433 334 HZ2 LYS 43 HZ2 LYS 43 -3.072 -20.238 4.682 335 HZ3 LYS 43 HZ3 LYS 43 -1.588 -19.802 5.369 336 HA PRO 44 HA PRO 44 1.276 -16.289 3.477 337 HB2 PRO 44 HB2 PRO 44 2.624 -16.527 1.226 338 HB3 PRO 44 HB1 PRO 44 1.302 -17.642 1.566 339 HG2 PRO 44 HG2 PRO 44 1.384 -15.333 -0.304 340 HG3 PRO 44 HG1 PRO 44 0.510 -16.866 -0.457 341 HD2 PRO 44 HD2 PRO 44 -0.511 -14.374 0.489 342 HD3 PRO 44 HD1 PRO 44 -1.333 -15.942 0.455 343 H TYR 45 HN TYR 45 0.324 -13.467 1.858 344 HA TYR 45 HA TYR 45 2.974 -12.261 2.187 345 HB2 TYR 45 HB2 TYR 45 0.719 -11.681 0.293 346 HB3 TYR 45 HB1 TYR 45 1.999 -10.509 0.580 347 HD1 TYR 45 HD1 TYR 45 4.445 -11.472 0.335 348 HD2 TYR 45 HD2 TYR 45 0.983 -13.212 -1.417 349 HE1 TYR 45 HE1 TYR 45 5.862 -12.619 -1.308 350 HE2 TYR 45 HE2 TYR 45 2.391 -14.366 -3.071 351 HH TYR 45 HH TYR 45 4.452 -14.727 -3.802 352 H PHE 46 HN PHE 46 3.232 -10.825 3.759 353 HA PHE 46 HA PHE 46 0.890 -9.309 4.709 354 HB2 PHE 46 HB2 PHE 46 2.868 -9.318 6.732 355 HB3 PHE 46 HB1 PHE 46 1.295 -10.105 6.767 356 HD1 PHE 46 HD1 PHE 46 1.405 -12.350 5.109 357 HD2 PHE 46 HD2 PHE 46 4.554 -10.688 7.443 358 HE1 PHE 46 HE1 PHE 46 2.509 -14.547 5.179 359 HE2 PHE 46 HE2 PHE 46 5.663 -12.884 7.514 360 HZ PHE 46 HZ PHE 46 4.640 -14.816 6.381 361 H LEU 47 HN LEU 47 1.053 -7.179 4.291 362 HA LEU 47 HA LEU 47 3.757 -6.042 4.072 363 HB2 LEU 47 HB2 LEU 47 1.680 -6.101 2.149 364 HB3 LEU 47 HB1 LEU 47 1.875 -4.439 2.659 365 HG LEU 47 HG LEU 47 3.755 -6.189 1.155 366 HD11 LEU 47 HD11 LEU 47 3.460 -3.220 0.966 367 HD12 LEU 47 HD12 LEU 47 2.235 -4.285 0.276 368 HD13 LEU 47 HD13 LEU 47 3.906 -4.383 -0.282 369 HD21 LEU 47 HD21 LEU 47 5.378 -4.123 1.860 370 HD22 LEU 47 HD22 LEU 47 5.434 -5.735 2.574 371 HD23 LEU 47 HD23 LEU 47 4.540 -4.444 3.378 372 H ARG 48 HN ARG 48 4.164 -4.816 5.769 373 HA ARG 48 HA ARG 48 2.056 -2.986 6.704 374 HB2 ARG 48 HB2 ARG 48 2.436 -4.441 8.517 375 HB3 ARG 48 HB1 ARG 48 4.171 -4.489 8.228 376 HG2 ARG 48 HG2 ARG 48 3.108 -1.830 8.858 377 HG3 ARG 48 HG1 ARG 48 2.960 -3.018 10.155 378 HD2 ARG 48 HD2 ARG 48 5.517 -3.420 9.211 379 HD3 ARG 48 HD1 ARG 48 5.321 -1.672 9.108 380 HE ARG 48 HE ARG 48 4.441 -2.169 11.584 381 HH11 ARG 48 HH11 ARG 48 7.287 -3.245 9.892 382 HH12 ARG 48 HH12 ARG 48 8.258 -3.347 11.322 383 HH21 ARG 48 HH21 ARG 48 5.711 -2.294 13.476 384 HH22 ARG 48 HH22 ARG 48 7.362 -2.805 13.362 385 H LEU 49 HN LEU 49 2.487 -0.963 6.077 386 HA LEU 49 HA LEU 49 5.259 -0.014 6.234 387 HB2 LEU 49 HB2 LEU 49 3.424 0.461 3.888 388 HB3 LEU 49 HB1 LEU 49 5.031 1.131 4.082 389 HG LEU 49 HG LEU 49 4.343 -1.787 3.721 390 HD11 LEU 49 HD11 LEU 49 5.524 -1.552 1.598 391 HD12 LEU 49 HD12 LEU 49 5.761 0.167 1.916 392 HD13 LEU 49 HD13 LEU 49 4.133 -0.471 1.682 393 HD21 LEU 49 HD21 LEU 49 6.589 -2.327 3.939 394 HD22 LEU 49 HD22 LEU 49 6.339 -1.157 5.234 395 HD23 LEU 49 HD23 LEU 49 7.115 -0.657 3.732 396 H THR 50 HN THR 50 5.536 2.116 6.739 397 HA THR 50 HA THR 50 3.096 3.597 7.464 398 HB THR 50 HB THR 50 5.453 4.674 8.717 399 HG1 THR 50 HG1 THR 50 5.369 2.556 10.158 400 HG21 THR 50 HG21 THR 50 4.018 3.820 10.766 401 HG22 THR 50 HG22 THR 50 2.789 3.622 9.518 402 HG23 THR 50 HG23 THR 50 3.511 5.206 9.801 403 H LEU 51 HN LEU 51 2.684 5.304 6.232 404 HA LEU 51 HA LEU 51 4.602 6.273 4.343 405 HB2 LEU 51 HB2 LEU 51 1.966 7.563 5.001 406 HB3 LEU 51 HB1 LEU 51 2.856 7.623 3.490 407 HG LEU 51 HG LEU 51 1.584 5.127 4.612 408 HD11 LEU 51 HD11 LEU 51 -0.253 5.450 3.260 409 HD12 LEU 51 HD12 LEU 51 0.580 6.607 2.222 410 HD13 LEU 51 HD13 LEU 51 0.068 7.084 3.842 411 HD21 LEU 51 HD21 LEU 51 1.947 4.304 2.285 412 HD22 LEU 51 HD22 LEU 51 3.432 4.586 3.195 413 HD23 LEU 51 HD23 LEU 51 2.908 5.751 1.979 414 HA PRO 52 HA PRO 52 6.423 9.631 6.505 415 HB2 PRO 52 HB2 PRO 52 6.258 11.293 4.093 416 HB3 PRO 52 HB1 PRO 52 7.681 10.629 4.900 417 HG2 PRO 52 HG2 PRO 52 6.832 9.717 2.510 418 HG3 PRO 52 HG1 PRO 52 7.604 8.661 3.707 419 HD2 PRO 52 HD2 PRO 52 4.698 8.976 3.049 420 HD3 PRO 52 HD1 PRO 52 5.624 7.498 3.386 421 H GLY 53 HN GLY 53 3.371 10.048 4.949 422 HA2 GLY 53 HA2 GLY 53 2.928 12.495 6.547 423 HA3 GLY 53 HA1 GLY 53 2.234 12.271 4.949 424 H ARG 54 HN ARG 54 0.120 12.007 5.136 425 HA ARG 54 HA ARG 54 -0.914 9.858 6.775 426 HB2 ARG 54 HB2 ARG 54 -1.632 12.745 7.279 427 HB3 ARG 54 HB1 ARG 54 -2.646 11.408 7.802 428 HG2 ARG 54 HG2 ARG 54 -1.469 11.513 9.695 429 HG3 ARG 54 HG1 ARG 54 -0.213 10.675 8.784 430 HD2 ARG 54 HD2 ARG 54 1.110 12.398 9.274 431 HD3 ARG 54 HD1 ARG 54 0.162 13.326 8.114 432 HE ARG 54 HE ARG 54 -1.297 13.737 10.241 433 HH11 ARG 54 HH11 ARG 54 2.191 13.652 10.055 434 HH12 ARG 54 HH12 ARG 54 2.409 14.743 11.382 435 HH21 ARG 54 HH21 ARG 54 -1.007 15.167 11.983 436 HH22 ARG 54 HH22 ARG 54 0.596 15.600 12.477 437 H ILE 55 HN ILE 55 -2.998 9.179 6.152 438 HA ILE 55 HA ILE 55 -3.973 10.399 3.648 439 HB ILE 55 HB ILE 55 -4.126 7.491 4.455 440 HG12 ILE 55 HG12 ILE 55 -1.857 8.163 3.820 441 HG13 ILE 55 HG11 ILE 55 -2.564 7.115 2.593 442 HG21 ILE 55 HG21 ILE 55 -5.494 7.097 2.717 443 HG22 ILE 55 HG22 ILE 55 -4.697 8.286 1.685 444 HG23 ILE 55 HG23 ILE 55 -5.887 8.809 2.877 445 HD11 ILE 55 HD11 ILE 55 -2.526 8.718 1.024 446 HD12 ILE 55 HD12 ILE 55 -1.276 9.409 2.059 447 HD13 ILE 55 HD13 ILE 55 -2.934 9.999 2.164 448 H VAL 56 HN VAL 56 -5.977 11.192 3.706 449 HA VAL 56 HA VAL 56 -7.532 11.228 6.016 450 HB VAL 56 HB VAL 56 -7.790 12.918 4.312 451 HG11 VAL 56 HG11 VAL 56 -9.377 11.269 2.474 452 HG12 VAL 56 HG12 VAL 56 -7.652 10.906 2.504 453 HG13 VAL 56 HG13 VAL 56 -8.202 12.540 2.137 454 HG21 VAL 56 HG21 VAL 56 -10.222 13.035 4.211 455 HG22 VAL 56 HG22 VAL 56 -9.686 12.485 5.798 456 HG23 VAL 56 HG23 VAL 56 -10.332 11.327 4.636 457 H GLU 57 HN GLU 57 -9.646 10.371 6.420 458 HA GLU 57 HA GLU 57 -10.042 7.701 5.239 459 HB2 GLU 57 HB2 GLU 57 -11.387 8.090 7.782 460 HB3 GLU 57 HB1 GLU 57 -10.288 6.816 7.285 461 HG2 GLU 57 HG2 GLU 57 -9.086 9.441 7.938 462 HG3 GLU 57 HG1 GLU 57 -9.757 8.504 9.268 463 H ASN 58 HN ASN 58 -11.848 7.427 4.113 464 HA ASN 58 HA ASN 58 -14.321 8.702 4.881 465 HB2 ASN 58 HB2 ASN 58 -13.166 10.444 3.515 466 HB3 ASN 58 HB1 ASN 58 -13.137 9.315 2.165 467 HD21 ASN 58 HD21 ASN 58 -15.168 8.608 1.295 468 HD22 ASN 58 HD22 ASN 58 -16.552 9.638 1.398 469 H GLY 59 HN GLY 59 -12.585 6.889 2.398 470 HA2 GLY 59 HA2 GLY 59 -13.232 4.583 1.962 471 HA3 GLY 59 HA1 GLY 59 -14.901 5.063 2.234 472 H SER 60 HN SER 60 -13.516 7.515 0.552 473 HA SER 60 HA SER 60 -14.723 6.610 -1.936 474 HB2 SER 60 HB2 SER 60 -14.066 9.205 -0.713 475 HB3 SER 60 HB1 SER 60 -13.769 9.128 -2.449 476 HG SER 60 HG SER 60 -15.870 8.813 -2.814 477 H GLU 61 HN GLU 61 -12.267 5.371 -1.051 478 HA GLU 61 HA GLU 61 -10.110 6.438 -2.616 479 HB2 GLU 61 HB2 GLU 61 -8.886 4.447 -1.903 480 HB3 GLU 61 HB1 GLU 61 -9.682 5.214 -0.535 481 HG2 GLU 61 HG2 GLU 61 -11.565 3.525 -0.934 482 HG3 GLU 61 HG1 GLU 61 -10.396 2.666 -1.935 483 H GLN 62 HN GLN 62 -8.918 4.413 -3.856 484 HA GLN 62 HA GLN 62 -10.872 3.241 -5.706 485 HB2 GLN 62 HB2 GLN 62 -8.495 4.948 -6.413 486 HB3 GLN 62 HB1 GLN 62 -9.177 3.801 -7.557 487 HG2 GLN 62 HG2 GLN 62 -11.062 5.678 -6.271 488 HG3 GLN 62 HG1 GLN 62 -9.918 6.359 -7.427 489 HE21 GLN 62 HE21 GLN 62 -11.602 6.860 -8.849 490 HE22 GLN 62 HE22 GLN 62 -12.384 5.645 -9.796 491 H GLY 63 HN GLY 63 -10.470 1.155 -6.168 492 HA2 GLY 63 HA2 GLY 63 -7.759 0.129 -5.607 493 HA3 GLY 63 HA1 GLY 63 -9.186 -0.707 -5.020 494 H SER 64 HN SER 64 -6.916 -1.261 -7.038 495 HA SER 64 HA SER 64 -8.670 -2.514 -9.019 496 HB2 SER 64 HB2 SER 64 -6.723 -0.395 -9.544 497 HB3 SER 64 HB1 SER 64 -6.447 -1.837 -10.522 498 HG SER 64 HG SER 64 -9.003 -1.479 -10.629 499 H TYR 65 HN TYR 65 -8.332 -4.598 -8.522 500 HA TYR 65 HA TYR 65 -5.612 -5.512 -7.949 501 HB2 TYR 65 HB2 TYR 65 -7.299 -6.219 -6.361 502 HB3 TYR 65 HB1 TYR 65 -8.289 -6.887 -7.655 503 HD1 TYR 65 HD1 TYR 65 -4.640 -7.198 -6.935 504 HD2 TYR 65 HD2 TYR 65 -8.381 -9.180 -7.352 505 HE1 TYR 65 HE1 TYR 65 -3.512 -9.366 -6.670 506 HE2 TYR 65 HE2 TYR 65 -7.265 -11.355 -7.087 507 HH TYR 65 HH TYR 65 -4.568 -11.892 -5.781 508 H ASP 66 HN ASP 66 -4.429 -6.213 -9.587 509 HA ASP 66 HA ASP 66 -5.778 -7.421 -11.903 510 HB2 ASP 66 HB2 ASP 66 -3.582 -5.570 -11.635 511 HB3 ASP 66 HB1 ASP 66 -3.059 -7.005 -12.511 512 H ALA 67 HN ALA 67 -5.882 -9.570 -11.693 513 HA ALA 67 HA ALA 67 -3.893 -11.060 -10.240 514 HB1 ALA 67 HB1 ALA 67 -5.892 -12.105 -9.947 515 HB2 ALA 67 HB2 ALA 67 -5.313 -13.013 -11.344 516 HB3 ALA 67 HB3 ALA 67 -6.470 -11.699 -11.562 517 H ASP 68 HN ASP 68 -4.807 -10.633 -13.624 518 HA ASP 68 HA ASP 68 -3.184 -12.559 -14.792 519 HB2 ASP 68 HB2 ASP 68 -3.491 -9.895 -16.120 520 HB3 ASP 68 HB1 ASP 68 -3.591 -11.509 -16.815 521 H LYS 69 HN LYS 69 -2.432 -9.153 -14.104 522 HA LYS 69 HA LYS 69 0.354 -9.563 -14.806 523 HB2 LYS 69 HB2 LYS 69 -0.804 -7.485 -15.453 524 HB3 LYS 69 HB1 LYS 69 -1.061 -7.107 -13.754 525 HG2 LYS 69 HG2 LYS 69 1.346 -6.951 -13.413 526 HG3 LYS 69 HG1 LYS 69 1.618 -7.358 -15.109 527 HD2 LYS 69 HD2 LYS 69 1.748 -4.916 -14.605 528 HD3 LYS 69 HD1 LYS 69 0.553 -5.339 -15.832 529 HE2 LYS 69 HE2 LYS 69 -0.566 -5.385 -13.157 530 HE3 LYS 69 HE1 LYS 69 0.125 -3.814 -13.554 531 HZ1 LYS 69 HZ1 LYS 69 -1.227 -3.737 -15.536 532 HZ2 LYS 69 HZ2 LYS 69 -2.215 -3.986 -14.186 533 HZ3 LYS 69 HZ3 LYS 69 -1.854 -5.276 -15.218 534 H GLY 70 HN GLY 70 -1.605 -9.715 -12.019 535 HA2 GLY 70 HA2 GLY 70 -1.089 -10.172 -9.825 536 HA3 GLY 70 HA1 GLY 70 0.552 -10.497 -10.359 537 H ILE 71 HN ILE 71 -1.608 -7.688 -9.960 538 HA ILE 71 HA ILE 71 0.289 -6.406 -8.204 539 HB ILE 71 HB ILE 71 -0.302 -5.163 -10.894 540 HG12 ILE 71 HG12 ILE 71 2.325 -6.064 -9.690 541 HG13 ILE 71 HG11 ILE 71 1.442 -6.924 -10.946 542 HG21 ILE 71 HG21 ILE 71 1.664 -3.700 -9.551 543 HG22 ILE 71 HG22 ILE 71 0.395 -3.995 -8.364 544 HG23 ILE 71 HG23 ILE 71 0.004 -3.209 -9.894 545 HD11 ILE 71 HD11 ILE 71 3.338 -4.838 -11.218 546 HD12 ILE 71 HD12 ILE 71 1.785 -4.262 -11.822 547 HD13 ILE 71 HD13 ILE 71 2.493 -5.739 -12.478 548 H PHE 72 HN PHE 72 -0.910 -5.478 -6.677 549 HA PHE 72 HA PHE 72 -3.634 -4.614 -7.339 550 HB2 PHE 72 HB2 PHE 72 -3.610 -6.120 -5.483 551 HB3 PHE 72 HB1 PHE 72 -2.290 -5.248 -4.709 552 HD1 PHE 72 HD1 PHE 72 -5.463 -4.009 -6.214 553 HD2 PHE 72 HD2 PHE 72 -3.107 -4.464 -2.698 554 HE1 PHE 72 HE1 PHE 72 -7.093 -2.666 -4.952 555 HE2 PHE 72 HE2 PHE 72 -4.734 -3.122 -1.430 556 HZ PHE 72 HZ PHE 72 -6.729 -2.220 -2.557 557 H THR 73 HN THR 73 -3.913 -2.537 -7.767 558 HA THR 73 HA THR 73 -2.134 -0.573 -6.472 559 HB THR 73 HB THR 73 -3.658 0.218 -8.895 560 HG1 THR 73 HG1 THR 73 -1.698 -1.782 -8.872 561 HG21 THR 73 HG21 THR 73 -0.934 0.872 -9.063 562 HG22 THR 73 HG22 THR 73 -1.391 1.107 -7.377 563 HG23 THR 73 HG23 THR 73 -2.275 1.942 -8.653 564 H ILE 74 HN ILE 74 -3.088 0.617 -4.952 565 HA ILE 74 HA ILE 74 -5.936 1.295 -5.290 566 HB ILE 74 HB ILE 74 -5.833 -0.385 -3.578 567 HG12 ILE 74 HG12 ILE 74 -6.153 1.545 -1.558 568 HG13 ILE 74 HG11 ILE 74 -6.631 2.341 -3.053 569 HG21 ILE 74 HG21 ILE 74 -3.965 1.307 -1.954 570 HG22 ILE 74 HG22 ILE 74 -3.360 0.117 -3.108 571 HG23 ILE 74 HG23 ILE 74 -4.373 -0.398 -1.759 572 HD11 ILE 74 HD11 ILE 74 -8.439 1.152 -1.734 573 HD12 ILE 74 HD12 ILE 74 -7.692 -0.351 -2.276 574 HD13 ILE 74 HD13 ILE 74 -8.336 0.789 -3.457 575 H ARG 75 HN ARG 75 -6.233 3.416 -5.433 576 HA ARG 75 HA ARG 75 -4.180 5.257 -4.537 577 HB2 ARG 75 HB2 ARG 75 -6.806 6.128 -5.685 578 HB3 ARG 75 HB1 ARG 75 -5.222 6.872 -5.848 579 HG2 ARG 75 HG2 ARG 75 -4.518 5.241 -7.417 580 HG3 ARG 75 HG1 ARG 75 -5.923 4.226 -7.090 581 HD2 ARG 75 HD2 ARG 75 -5.978 5.599 -9.226 582 HD3 ARG 75 HD1 ARG 75 -7.385 5.715 -8.170 583 HE ARG 75 HE ARG 75 -5.602 7.769 -7.504 584 HH11 ARG 75 HH11 ARG 75 -7.674 6.792 -10.128 585 HH12 ARG 75 HH12 ARG 75 -7.967 8.411 -10.673 586 HH21 ARG 75 HH21 ARG 75 -5.981 9.906 -8.210 587 HH22 ARG 75 HH22 ARG 75 -7.002 10.181 -9.582 588 H LEU 76 HN LEU 76 -4.380 6.775 -2.954 589 HA LEU 76 HA LEU 76 -6.809 6.666 -1.296 590 HB2 LEU 76 HB2 LEU 76 -3.983 6.759 -0.246 591 HB3 LEU 76 HB1 LEU 76 -5.448 6.705 0.707 592 HG LEU 76 HG LEU 76 -5.450 4.457 -1.043 593 HD11 LEU 76 HD11 LEU 76 -3.244 4.109 -1.281 594 HD12 LEU 76 HD12 LEU 76 -3.348 3.518 0.378 595 HD13 LEU 76 HD13 LEU 76 -2.825 5.172 0.062 596 HD21 LEU 76 HD21 LEU 76 -5.431 3.243 1.135 597 HD22 LEU 76 HD22 LEU 76 -6.658 4.504 1.020 598 HD23 LEU 76 HD23 LEU 76 -5.180 4.794 1.939 599 HA PRO 77 HA PRO 77 -6.525 11.089 -1.545 600 HB2 PRO 77 HB2 PRO 77 -8.373 11.727 0.307 601 HB3 PRO 77 HB1 PRO 77 -8.814 11.021 -1.251 602 HG2 PRO 77 HG2 PRO 77 -8.592 9.714 1.427 603 HG3 PRO 77 HG1 PRO 77 -9.803 9.471 0.158 604 HD2 PRO 77 HD2 PRO 77 -7.669 7.798 0.599 605 HD3 PRO 77 HD1 PRO 77 -8.496 7.965 -0.960 606 H LYS 78 HN LYS 78 -5.575 12.817 -0.464 607 HA LYS 78 HA LYS 78 -4.081 12.091 1.931 608 HB2 LYS 78 HB2 LYS 78 -3.843 14.640 0.341 609 HB3 LYS 78 HB1 LYS 78 -2.674 13.954 1.461 610 HG2 LYS 78 HG2 LYS 78 -2.763 11.943 -0.261 611 HG3 LYS 78 HG1 LYS 78 -3.255 13.240 -1.354 612 HD2 LYS 78 HD2 LYS 78 -1.242 14.362 -1.138 613 HD3 LYS 78 HD1 LYS 78 -0.871 13.608 0.415 614 HE2 LYS 78 HE2 LYS 78 -0.963 11.443 -1.228 615 HE3 LYS 78 HE1 LYS 78 -0.339 12.678 -2.320 616 HZ1 LYS 78 HZ1 LYS 78 1.596 12.810 -1.207 617 HZ2 LYS 78 HZ2 LYS 78 1.198 11.247 -0.696 618 HZ3 LYS 78 HZ3 LYS 78 0.888 12.571 0.311 619 H GLU 79 HN GLU 79 -3.933 13.515 3.736 620 HA GLU 79 HA GLU 79 -6.492 14.664 4.444 621 HB2 GLU 79 HB2 GLU 79 -5.417 13.363 6.140 622 HB3 GLU 79 HB1 GLU 79 -3.912 14.252 5.957 623 HG2 GLU 79 HG2 GLU 79 -4.618 15.990 7.222 624 HG3 GLU 79 HG1 GLU 79 -6.301 15.813 6.724 625 H THR 80 HN THR 80 -3.569 15.709 3.101 626 HA THR 80 HA THR 80 -4.370 18.508 3.433 627 HB THR 80 HB THR 80 -1.480 17.664 3.628 628 HG1 THR 80 HG1 THR 80 -2.016 17.043 5.593 629 HG21 THR 80 HG21 THR 80 -2.591 20.204 4.710 630 HG22 THR 80 HG22 THR 80 -2.370 20.055 2.967 631 HG23 THR 80 HG23 THR 80 -0.992 19.863 4.051 632 HA PRO 81 HA PRO 81 -4.116 17.831 -1.060 633 HB2 PRO 81 HB2 PRO 81 -4.510 20.785 -0.787 634 HB3 PRO 81 HB1 PRO 81 -5.290 19.644 -1.891 635 HG2 PRO 81 HG2 PRO 81 -6.567 20.541 0.274 636 HG3 PRO 81 HG1 PRO 81 -6.749 18.863 -0.270 637 HD2 PRO 81 HD2 PRO 81 -5.252 19.949 2.054 638 HD3 PRO 81 HD1 PRO 81 -6.024 18.364 1.844 639 H GLY 82 HN GLY 82 -2.514 18.276 -2.587 640 HA2 GLY 82 HA2 GLY 82 -0.523 19.073 -3.424 641 HA3 GLY 82 HA1 GLY 82 -0.548 20.313 -2.181 642 H GLN 83 HN GLN 83 -0.935 17.455 -0.599 643 HA GLN 83 HA GLN 83 1.748 17.503 0.409 644 HB2 GLN 83 HB2 GLN 83 0.002 16.983 1.960 645 HB3 GLN 83 HB1 GLN 83 -0.603 15.687 0.940 646 HG2 GLN 83 HG2 GLN 83 0.791 14.208 1.830 647 HG3 GLN 83 HG1 GLN 83 2.171 15.293 1.667 648 HE21 GLN 83 HE21 GLN 83 3.066 14.931 3.636 649 HE22 GLN 83 HE22 GLN 83 2.317 15.369 5.130 650 H HIS 84 HN HIS 84 3.436 16.237 -0.115 651 HA HIS 84 HA HIS 84 2.948 13.985 -1.946 652 HB2 HIS 84 HB2 HIS 84 3.930 16.142 -2.985 653 HB3 HIS 84 HB1 HIS 84 5.410 15.701 -2.140 654 HD1 HIS 84 HD1 HIS 84 6.971 14.470 -3.594 655 HD2 HIS 84 HD2 HIS 84 3.012 13.701 -4.595 656 HE1 HIS 84 HE1 HIS 84 7.065 12.896 -5.554 657 HE2 HIS 84 HE2 HIS 84 4.659 12.484 -6.174 658 H PHE 85 HN PHE 85 3.729 12.118 -1.232 659 HA PHE 85 HA PHE 85 5.408 12.054 1.116 660 HB2 PHE 85 HB2 PHE 85 4.086 9.920 -0.555 661 HB3 PHE 85 HB1 PHE 85 5.136 9.546 0.803 662 HD1 PHE 85 HD2 PHE 85 3.330 12.555 1.332 663 HD2 PHE 85 HD1 PHE 85 2.997 8.314 1.531 664 HE1 PHE 85 HE2 PHE 85 1.420 12.779 2.865 665 HE2 PHE 85 HE1 PHE 85 1.085 8.534 3.062 666 HZ PHE 85 HZ PHE 85 0.296 10.767 3.732 667 H GLU 86 HN GLU 86 7.389 12.852 0.416 668 HA GLU 86 HA GLU 86 8.743 11.833 -1.868 669 HB2 GLU 86 HB2 GLU 86 9.992 13.319 0.434 670 HB3 GLU 86 HB1 GLU 86 10.529 13.261 -1.238 671 HG2 GLU 86 HG2 GLU 86 8.589 14.531 -1.938 672 HG3 GLU 86 HG1 GLU 86 7.983 14.543 -0.282 673 H GLY 87 HN GLY 87 11.100 11.119 -1.555 674 HA2 GLY 87 HA2 GLY 87 12.339 9.202 -1.164 675 HA3 GLY 87 HA1 GLY 87 12.247 9.813 0.477 676 H LEU 88 HN LEU 88 9.535 8.485 -1.376 677 HA LEU 88 HA LEU 88 8.687 6.826 0.715 678 HB2 LEU 88 HB2 LEU 88 8.053 7.109 -2.156 679 HB3 LEU 88 HB1 LEU 88 7.661 5.555 -1.443 680 HG LEU 88 HG LEU 88 6.668 8.233 -0.467 681 HD11 LEU 88 HD11 LEU 88 4.449 7.205 -1.182 682 HD12 LEU 88 HD12 LEU 88 5.414 6.057 -2.109 683 HD13 LEU 88 HD13 LEU 88 5.520 7.782 -2.458 684 HD21 LEU 88 HD21 LEU 88 6.595 7.041 1.466 685 HD22 LEU 88 HD22 LEU 88 6.550 5.486 0.636 686 HD23 LEU 88 HD23 LEU 88 5.089 6.467 0.747 687 H ASN 89 HN ASN 89 10.222 5.777 -2.361 688 HA ASN 89 HA ASN 89 10.889 3.223 -1.212 689 HB2 ASN 89 HB2 ASN 89 11.995 4.262 -3.806 690 HB3 ASN 89 HB1 ASN 89 11.614 2.605 -3.353 691 HD21 ASN 89 HD21 ASN 89 10.790 4.205 -5.666 692 HD22 ASN 89 HD22 ASN 89 9.063 4.176 -5.664 693 H MET 90 HN MET 90 12.102 6.113 -0.611 694 HA MET 90 HA MET 90 14.881 5.170 -0.421 695 HB2 MET 90 HB2 MET 90 13.772 7.938 -0.874 696 HB3 MET 90 HB1 MET 90 15.408 7.678 -0.288 697 HG2 MET 90 HG2 MET 90 15.930 6.396 -2.296 698 HG3 MET 90 HG1 MET 90 14.287 6.648 -2.883 699 HE1 MET 90 HE1 MET 90 17.859 8.903 -2.361 700 HE2 MET 90 HE2 MET 90 17.725 8.765 -4.114 701 HE3 MET 90 HE3 MET 90 17.590 7.326 -3.103 702 H LEU 91 HN LEU 91 12.442 4.956 1.340 703 HA LEU 91 HA LEU 91 13.317 6.443 3.698 704 HB2 LEU 91 HB2 LEU 91 11.178 6.379 4.424 705 HB3 LEU 91 HB1 LEU 91 10.836 6.104 2.727 706 HG LEU 91 HG LEU 91 11.061 3.948 4.827 707 HD11 LEU 91 HD11 LEU 91 8.500 4.216 3.544 708 HD12 LEU 91 HD12 LEU 91 8.965 5.715 4.351 709 HD13 LEU 91 HD13 LEU 91 8.904 4.205 5.261 710 HD21 LEU 91 HD21 LEU 91 11.545 3.618 2.205 711 HD22 LEU 91 HD22 LEU 91 9.795 3.422 2.222 712 HD23 LEU 91 HD23 LEU 91 10.808 2.385 3.223 713 H THR 92 HN THR 92 12.850 5.034 5.807 714 HA THR 92 HA THR 92 13.950 2.342 5.418 715 HB THR 92 HB THR 92 15.340 2.763 7.529 716 HG1 THR 92 HG1 THR 92 15.352 5.465 6.733 717 HG21 THR 92 HG21 THR 92 17.211 3.412 6.266 718 HG22 THR 92 HG22 THR 92 16.236 4.381 5.160 719 HG23 THR 92 HG23 THR 92 16.144 2.621 5.105 720 H ALA 93 HN ALA 93 13.802 1.047 7.508 721 HA ALA 93 HA ALA 93 11.153 1.529 8.647 722 HB1 ALA 93 HB1 ALA 93 12.550 -0.969 9.329 723 HB2 ALA 93 HB2 ALA 93 12.186 -0.739 7.619 724 HB3 ALA 93 HB3 ALA 93 10.886 -0.699 8.811 725 H LEU 94 HN LEU 94 10.822 2.088 10.690 726 HA LEU 94 HA LEU 94 13.101 1.988 12.559 727 HB2 LEU 94 HB2 LEU 94 11.395 3.896 13.575 728 HB3 LEU 94 HB1 LEU 94 12.876 4.206 12.688 729 HG LEU 94 HG LEU 94 10.280 3.865 11.229 730 HD11 LEU 94 HD11 LEU 94 9.458 5.812 11.904 731 HD12 LEU 94 HD12 LEU 94 10.997 6.624 11.620 732 HD13 LEU 94 HD13 LEU 94 10.692 5.831 13.164 733 HD21 LEU 94 HD21 LEU 94 12.388 3.832 9.978 734 HD22 LEU 94 HD22 LEU 94 12.790 5.420 10.631 735 HD23 LEU 94 HD23 LEU 94 11.395 5.231 9.567 736 H LEU 95 HN LEU 95 12.783 0.929 14.432 737 HA LEU 95 HA LEU 95 10.266 -0.418 14.814 738 HB2 LEU 95 HB2 LEU 95 12.981 -0.577 16.014 739 HB3 LEU 95 HB1 LEU 95 11.636 -1.160 16.975 740 HG LEU 95 HG LEU 95 11.070 -2.805 15.320 741 HD11 LEU 95 HD11 LEU 95 13.369 -2.123 13.573 742 HD12 LEU 95 HD12 LEU 95 11.912 -1.139 13.445 743 HD13 LEU 95 HD13 LEU 95 11.827 -2.879 13.175 744 HD21 LEU 95 HD21 LEU 95 13.361 -2.848 16.815 745 HD22 LEU 95 HD22 LEU 95 13.955 -3.246 15.202 746 HD23 LEU 95 HD23 LEU 95 12.685 -4.223 15.941 747 H ALA 96 HN ALA 96 8.632 0.363 15.937 748 HA ALA 96 HA ALA 96 7.420 1.413 17.555 749 HB1 ALA 96 HB1 ALA 96 9.922 2.186 19.008 750 HB2 ALA 96 HB2 ALA 96 9.326 0.526 19.040 751 HB3 ALA 96 HB3 ALA 96 8.318 1.836 19.656 Start of MODEL 14 1 H MET 1 H MET 1 9.914 -18.584 -2.411 2 HA MET 1 HA MET 1 9.117 -17.199 -0.835 3 HB2 MET 1 HB2 MET 1 11.287 -18.439 0.757 4 HB3 MET 1 HB1 MET 1 10.885 -16.777 1.169 5 HG2 MET 1 HG2 MET 1 9.242 -17.562 2.419 6 HG3 MET 1 HG1 MET 1 8.433 -18.069 0.938 7 HE1 MET 1 HE1 MET 1 8.557 -19.331 4.150 8 HE2 MET 1 HE2 MET 1 10.299 -19.054 4.111 9 HE3 MET 1 HE3 MET 1 9.668 -20.694 4.272 10 H LEU 2 HN LEU 2 9.293 -15.376 -1.992 11 HA LEU 2 HA LEU 2 11.863 -13.959 -1.934 12 HB2 LEU 2 HB2 LEU 2 10.147 -13.944 -4.396 13 HB3 LEU 2 HB1 LEU 2 11.821 -13.450 -4.226 14 HG LEU 2 HG LEU 2 11.404 -16.272 -3.602 15 HD11 LEU 2 HD11 LEU 2 9.706 -15.647 -5.485 16 HD12 LEU 2 HD12 LEU 2 10.713 -17.087 -5.635 17 HD13 LEU 2 HD13 LEU 2 11.149 -15.612 -6.497 18 HD21 LEU 2 HD21 LEU 2 13.394 -14.516 -4.672 19 HD22 LEU 2 HD22 LEU 2 13.159 -15.883 -5.761 20 HD23 LEU 2 HD23 LEU 2 13.569 -16.164 -4.068 21 H THR 3 HN THR 3 11.729 -11.813 -1.568 22 HA THR 3 HA THR 3 9.304 -10.716 -0.614 23 HB THR 3 HB THR 3 11.445 -8.833 -1.418 24 HG1 THR 3 HG1 THR 3 11.843 -10.797 0.613 25 HG21 THR 3 HG21 THR 3 10.077 -9.313 1.226 26 HG22 THR 3 HG22 THR 3 9.481 -8.218 -0.022 27 HG23 THR 3 HG23 THR 3 11.030 -7.903 0.761 28 HA PRO 4 HA PRO 4 7.480 -9.667 -4.564 29 HB2 PRO 4 HB2 PRO 4 5.625 -7.927 -3.426 30 HB3 PRO 4 HB1 PRO 4 5.388 -9.658 -3.679 31 HG2 PRO 4 HG2 PRO 4 6.191 -8.192 -1.209 32 HG3 PRO 4 HG1 PRO 4 5.152 -9.618 -1.384 33 HD2 PRO 4 HD2 PRO 4 7.680 -9.818 -0.510 34 HD3 PRO 4 HD1 PRO 4 6.955 -11.065 -1.548 35 H ALA 5 HN ALA 5 7.915 -8.086 -5.986 36 HA ALA 5 HA ALA 5 9.510 -5.850 -5.133 37 HB1 ALA 5 HB1 ALA 5 8.973 -5.413 -7.791 38 HB2 ALA 5 HB2 ALA 5 8.895 -7.169 -7.656 39 HB3 ALA 5 HB3 ALA 5 10.349 -6.310 -7.149 40 H PHE 6 HN PHE 6 7.592 -5.095 -3.763 41 HA PHE 6 HA PHE 6 5.402 -3.843 -5.081 42 HB2 PHE 6 HB2 PHE 6 4.758 -3.073 -2.927 43 HB3 PHE 6 HB1 PHE 6 5.432 -4.679 -2.693 44 HD1 PHE 6 HD1 PHE 6 5.919 -1.097 -2.138 45 HD2 PHE 6 HD2 PHE 6 7.510 -4.995 -1.520 46 HE1 PHE 6 HE1 PHE 6 7.475 -0.192 -0.460 47 HE2 PHE 6 HE2 PHE 6 9.068 -4.096 0.158 48 HZ PHE 6 HZ PHE 6 9.051 -1.693 0.690 49 H ASP 7 HN ASP 7 4.945 -1.518 -4.996 50 HA ASP 7 HA ASP 7 7.257 0.245 -4.803 51 HB2 ASP 7 HB2 ASP 7 6.282 -0.730 -7.321 52 HB3 ASP 7 HB1 ASP 7 5.985 1.003 -7.217 53 H LEU 8 HN LEU 8 6.708 2.457 -4.567 54 HA LEU 8 HA LEU 8 3.851 2.895 -4.020 55 HB2 LEU 8 HB2 LEU 8 5.971 4.584 -2.780 56 HB3 LEU 8 HB1 LEU 8 4.373 4.185 -2.181 57 HG LEU 8 HG LEU 8 6.436 2.030 -2.382 58 HD11 LEU 8 HD11 LEU 8 6.193 3.884 -0.023 59 HD12 LEU 8 HD12 LEU 8 7.473 3.992 -1.232 60 HD13 LEU 8 HD13 LEU 8 7.324 2.546 -0.233 61 HD21 LEU 8 HD21 LEU 8 5.061 1.646 -0.096 62 HD22 LEU 8 HD22 LEU 8 4.565 1.003 -1.661 63 HD23 LEU 8 HD23 LEU 8 3.849 2.496 -1.055 64 H SER 9 HN SER 9 2.827 4.555 -4.926 65 HA SER 9 HA SER 9 4.326 6.712 -6.198 66 HB2 SER 9 HB2 SER 9 2.484 4.802 -7.621 67 HB3 SER 9 HB1 SER 9 2.690 6.453 -8.203 68 HG SER 9 HG SER 9 4.217 5.285 -9.247 69 H GLN 10 HN GLN 10 3.321 8.651 -5.965 70 HA GLN 10 HA GLN 10 0.511 8.597 -5.099 71 HB2 GLN 10 HB2 GLN 10 0.886 9.890 -3.232 72 HB3 GLN 10 HB1 GLN 10 2.325 8.882 -3.253 73 HG2 GLN 10 HG2 GLN 10 3.240 10.929 -4.691 74 HG3 GLN 10 HG1 GLN 10 2.029 11.782 -3.734 75 HE21 GLN 10 HE21 GLN 10 5.170 10.675 -3.823 76 HE22 GLN 10 HE22 GLN 10 5.557 10.828 -2.145 77 H ASP 11 HN ASP 11 -0.766 10.291 -5.639 78 HA ASP 11 HA ASP 11 0.293 12.105 -7.684 79 HB2 ASP 11 HB2 ASP 11 -2.259 10.729 -7.272 80 HB3 ASP 11 HB1 ASP 11 -2.456 12.439 -7.643 81 HA PRO 12 HA PRO 12 0.033 15.734 -5.244 82 HB2 PRO 12 HB2 PRO 12 -1.542 17.394 -6.815 83 HB3 PRO 12 HB1 PRO 12 0.197 17.157 -6.995 84 HG2 PRO 12 HG2 PRO 12 -2.052 15.906 -8.505 85 HG3 PRO 12 HG1 PRO 12 -0.470 16.453 -9.092 86 HD2 PRO 12 HD2 PRO 12 -0.999 13.852 -8.691 87 HD3 PRO 12 HD1 PRO 12 0.605 14.537 -8.352 88 H ASP 13 HN ASP 13 -2.815 13.978 -5.937 89 HA ASP 13 HA ASP 13 -4.175 15.350 -3.734 90 HB2 ASP 13 HB2 ASP 13 -5.502 14.520 -6.320 91 HB3 ASP 13 HB1 ASP 13 -6.332 15.147 -4.903 92 H PHE 14 HN PHE 14 -2.688 12.743 -4.339 93 HA PHE 14 HA PHE 14 -4.264 11.072 -2.661 94 HB2 PHE 14 HB2 PHE 14 -3.973 10.000 -5.466 95 HB3 PHE 14 HB1 PHE 14 -4.892 9.316 -4.136 96 HD1 PHE 14 HD2 PHE 14 -4.798 12.047 -6.611 97 HD2 PHE 14 HD1 PHE 14 -7.128 9.941 -3.737 98 HE1 PHE 14 HE2 PHE 14 -6.829 13.150 -7.455 99 HE2 PHE 14 HE1 PHE 14 -9.163 11.038 -4.579 100 HZ PHE 14 HZ PHE 14 -9.016 12.646 -6.439 101 H LEU 15 HN LEU 15 -3.367 8.828 -2.542 102 HA LEU 15 HA LEU 15 -0.522 8.651 -3.242 103 HB2 LEU 15 HB2 LEU 15 -0.416 9.327 -0.965 104 HB3 LEU 15 HB1 LEU 15 -1.744 8.282 -0.512 105 HG LEU 15 HG LEU 15 0.629 7.602 0.186 106 HD11 LEU 15 HD11 LEU 15 -0.207 5.560 0.501 107 HD12 LEU 15 HD12 LEU 15 -0.426 5.282 -1.227 108 HD13 LEU 15 HD13 LEU 15 -1.649 6.165 -0.313 109 HD21 LEU 15 HD21 LEU 15 1.976 7.800 -1.663 110 HD22 LEU 15 HD22 LEU 15 0.734 7.211 -2.768 111 HD23 LEU 15 HD23 LEU 15 1.586 6.081 -1.717 112 H THR 16 HN THR 16 -0.527 6.914 -4.627 113 HA THR 16 HA THR 16 -2.315 4.690 -3.999 114 HB THR 16 HB THR 16 -0.758 5.260 -6.530 115 HG1 THR 16 HG1 THR 16 -2.712 6.620 -5.886 116 HG21 THR 16 HG21 THR 16 -2.446 3.561 -7.443 117 HG22 THR 16 HG22 THR 16 -2.695 3.101 -5.759 118 HG23 THR 16 HG23 THR 16 -1.097 2.945 -6.489 119 H ILE 17 HN ILE 17 -1.579 2.624 -3.743 120 HA ILE 17 HA ILE 17 1.335 2.325 -3.450 121 HB ILE 17 HB ILE 17 -0.733 0.726 -1.950 122 HG12 ILE 17 HG12 ILE 17 0.669 3.295 -1.184 123 HG13 ILE 17 HG11 ILE 17 -1.066 3.012 -1.286 124 HG21 ILE 17 HG21 ILE 17 1.163 0.224 -0.471 125 HG22 ILE 17 HG22 ILE 17 2.220 1.169 -1.519 126 HG23 ILE 17 HG23 ILE 17 1.462 -0.303 -2.128 127 HD11 ILE 17 HD11 ILE 17 0.506 2.884 0.977 128 HD12 ILE 17 HD12 ILE 17 0.205 1.194 0.565 129 HD13 ILE 17 HD13 ILE 17 -1.148 2.300 0.807 130 H ALA 18 HN ALA 18 2.219 0.222 -3.946 131 HA ALA 18 HA ALA 18 0.532 -1.350 -5.776 132 HB1 ALA 18 HB1 ALA 18 2.062 -0.026 -7.119 133 HB2 ALA 18 HB2 ALA 18 2.479 -1.737 -7.215 134 HB3 ALA 18 HB3 ALA 18 3.434 -0.653 -6.205 135 H ILE 19 HN ILE 19 0.323 -3.370 -5.176 136 HA ILE 19 HA ILE 19 2.488 -4.654 -3.645 137 HB ILE 19 HB ILE 19 -0.459 -5.204 -3.282 138 HG12 ILE 19 HG12 ILE 19 1.246 -3.821 -1.236 139 HG13 ILE 19 HG11 ILE 19 0.494 -2.887 -2.527 140 HG21 ILE 19 HG21 ILE 19 2.032 -6.189 -1.935 141 HG22 ILE 19 HG22 ILE 19 0.729 -7.121 -2.669 142 HG23 ILE 19 HG23 ILE 19 0.457 -6.271 -1.148 143 HD11 ILE 19 HD11 ILE 19 -0.680 -3.257 -0.195 144 HD12 ILE 19 HD12 ILE 19 -1.227 -4.738 -0.981 145 HD13 ILE 19 HD13 ILE 19 -1.600 -3.171 -1.697 146 H ARG 20 HN ARG 20 3.339 -6.295 -4.775 147 HA ARG 20 HA ARG 20 1.845 -7.420 -6.990 148 HB2 ARG 20 HB2 ARG 20 4.250 -6.787 -7.192 149 HB3 ARG 20 HB1 ARG 20 4.641 -8.086 -6.074 150 HG2 ARG 20 HG2 ARG 20 3.204 -9.453 -7.891 151 HG3 ARG 20 HG1 ARG 20 3.898 -8.195 -8.917 152 HD2 ARG 20 HD2 ARG 20 5.741 -9.499 -7.015 153 HD3 ARG 20 HD1 ARG 20 5.147 -10.504 -8.335 154 HE ARG 20 HE ARG 20 6.208 -7.911 -9.087 155 HH11 ARG 20 HH11 ARG 20 6.787 -11.323 -8.698 156 HH12 ARG 20 HH12 ARG 20 8.156 -11.344 -9.759 157 HH21 ARG 20 HH21 ARG 20 8.008 -7.927 -10.488 158 HH22 ARG 20 HH22 ARG 20 8.850 -9.413 -10.777 159 H VAL 21 HN VAL 21 0.614 -9.114 -6.806 160 HA VAL 21 HA VAL 21 1.413 -11.345 -5.084 161 HB VAL 21 HB VAL 21 -0.851 -11.620 -4.207 162 HG11 VAL 21 HG11 VAL 21 -0.905 -9.611 -2.726 163 HG12 VAL 21 HG12 VAL 21 0.374 -8.909 -3.719 164 HG13 VAL 21 HG13 VAL 21 0.671 -10.398 -2.822 165 HG21 VAL 21 HG21 VAL 21 -2.269 -9.382 -4.497 166 HG22 VAL 21 HG22 VAL 21 -2.408 -10.742 -5.611 167 HG23 VAL 21 HG23 VAL 21 -1.406 -9.355 -6.035 168 H SER 22 HN SER 22 1.582 -13.014 -6.433 169 HA SER 22 HA SER 22 -0.165 -13.133 -8.776 170 HB2 SER 22 HB2 SER 22 2.575 -13.804 -8.287 171 HB3 SER 22 HB1 SER 22 1.721 -15.245 -8.839 172 HG SER 22 HG SER 22 1.661 -12.718 -10.133 173 H TYR 23 HN TYR 23 1.116 -15.446 -6.358 174 HA TYR 23 HA TYR 23 -0.792 -17.441 -7.010 175 HB2 TYR 23 HB2 TYR 23 1.038 -17.074 -4.639 176 HB3 TYR 23 HB1 TYR 23 -0.030 -18.464 -4.807 177 HD1 TYR 23 HD1 TYR 23 2.058 -16.692 -7.348 178 HD2 TYR 23 HD2 TYR 23 1.338 -20.298 -5.207 179 HE1 TYR 23 HE1 TYR 23 3.765 -17.827 -8.701 180 HE2 TYR 23 HE2 TYR 23 3.045 -21.444 -6.555 181 HH TYR 23 HH TYR 23 4.068 -21.086 -8.925 182 H ALA 24 HN ALA 24 -0.516 -15.290 -4.185 183 HA ALA 24 HA ALA 24 -2.034 -14.697 -2.579 184 HB1 ALA 24 HB1 ALA 24 -3.036 -13.153 -3.880 185 HB2 ALA 24 HB2 ALA 24 -4.399 -14.268 -3.789 186 HB3 ALA 24 HB3 ALA 24 -3.331 -14.293 -5.193 187 H ARG 25 HN ARG 25 -2.519 -16.220 -1.119 188 HA ARG 25 HA ARG 25 -4.022 -18.578 -1.836 189 HB2 ARG 25 HB2 ARG 25 -2.374 -17.707 0.396 190 HB3 ARG 25 HB1 ARG 25 -3.841 -18.513 0.937 191 HG2 ARG 25 HG2 ARG 25 -3.293 -20.497 -0.222 192 HG3 ARG 25 HG1 ARG 25 -2.003 -19.697 -1.123 193 HD2 ARG 25 HD2 ARG 25 -0.750 -19.381 0.952 194 HD3 ARG 25 HD1 ARG 25 -2.041 -20.167 1.856 195 HE ARG 25 HE ARG 25 -1.164 -22.176 1.239 196 HH11 ARG 25 HH11 ARG 25 -0.066 -19.753 -1.011 197 HH12 ARG 25 HH12 ARG 25 0.988 -20.834 -1.859 198 HH21 ARG 25 HH21 ARG 25 0.220 -23.607 0.130 199 HH22 ARG 25 HH22 ARG 25 1.150 -23.026 -1.210 200 H VAL 26 HN VAL 26 -5.026 -15.572 -1.490 201 HA VAL 26 HA VAL 26 -7.590 -16.384 -0.301 202 HB VAL 26 HB VAL 26 -7.772 -14.025 0.610 203 HG11 VAL 26 HG11 VAL 26 -6.487 -14.533 2.630 204 HG12 VAL 26 HG12 VAL 26 -5.628 -15.807 1.766 205 HG13 VAL 26 HG13 VAL 26 -7.362 -15.950 2.052 206 HG21 VAL 26 HG21 VAL 26 -5.611 -13.464 -0.856 207 HG22 VAL 26 HG22 VAL 26 -4.816 -13.860 0.667 208 HG23 VAL 26 HG23 VAL 26 -6.023 -12.576 0.612 209 H SER 27 HN SER 27 -9.370 -15.737 -1.428 210 HA SER 27 HA SER 27 -9.122 -14.851 -4.068 211 HB2 SER 27 HB2 SER 27 -11.108 -16.028 -3.489 212 HB3 SER 27 HB1 SER 27 -11.481 -14.902 -2.183 213 HG SER 27 HG SER 27 -12.100 -14.751 -4.818 214 H GLU 28 HN GLU 28 -9.852 -13.082 -1.090 215 HA GLU 28 HA GLU 28 -9.349 -10.584 -2.556 216 HB2 GLU 28 HB2 GLU 28 -11.768 -10.951 -1.866 217 HB3 GLU 28 HB1 GLU 28 -11.220 -10.841 -0.200 218 HG2 GLU 28 HG2 GLU 28 -11.808 -8.684 -0.502 219 HG3 GLU 28 HG1 GLU 28 -10.157 -8.585 -1.111 220 H PHE 29 HN PHE 29 -8.059 -9.083 -1.529 221 HA PHE 29 HA PHE 29 -6.469 -10.131 0.665 222 HB2 PHE 29 HB2 PHE 29 -5.881 -7.459 -0.476 223 HB3 PHE 29 HB1 PHE 29 -4.788 -8.782 -0.073 224 HD1 PHE 29 HD2 PHE 29 -6.029 -10.978 -1.624 225 HD2 PHE 29 HD1 PHE 29 -5.270 -6.923 -2.668 226 HE1 PHE 29 HE2 PHE 29 -5.923 -11.617 -3.998 227 HE2 PHE 29 HE1 PHE 29 -5.164 -7.551 -5.045 228 HZ PHE 29 HZ PHE 29 -5.487 -9.900 -5.712 229 H ASP 30 HN ASP 30 -5.724 -8.524 2.339 230 HA ASP 30 HA ASP 30 -8.053 -7.021 3.332 231 HB2 ASP 30 HB2 ASP 30 -5.740 -8.094 4.963 232 HB3 ASP 30 HB1 ASP 30 -7.238 -7.398 5.573 233 H VAL 31 HN VAL 31 -7.857 -4.894 3.100 234 HA VAL 31 HA VAL 31 -5.160 -3.716 3.281 235 HB VAL 31 HB VAL 31 -7.454 -2.459 1.795 236 HG11 VAL 31 HG11 VAL 31 -4.640 -1.841 2.284 237 HG12 VAL 31 HG12 VAL 31 -5.968 -0.784 1.808 238 HG13 VAL 31 HG13 VAL 31 -5.112 -1.727 0.589 239 HG21 VAL 31 HG21 VAL 31 -7.110 -4.627 0.780 240 HG22 VAL 31 HG22 VAL 31 -5.370 -4.348 0.706 241 HG23 VAL 31 HG23 VAL 31 -6.462 -3.371 -0.276 242 H TYR 32 HN TYR 32 -4.882 -2.608 5.084 243 HA TYR 32 HA TYR 32 -7.125 -1.011 6.125 244 HB2 TYR 32 HB2 TYR 32 -5.063 -2.448 7.809 245 HB3 TYR 32 HB1 TYR 32 -6.431 -1.509 8.398 246 HD1 TYR 32 HD1 TYR 32 -8.486 -2.548 6.412 247 HD2 TYR 32 HD2 TYR 32 -5.581 -4.540 8.797 248 HE1 TYR 32 HE1 TYR 32 -9.880 -4.574 6.407 249 HE2 TYR 32 HE2 TYR 32 -6.967 -6.572 8.799 250 HH TYR 32 HH TYR 32 -10.149 -6.628 7.237 251 H PHE 33 HN PHE 33 -6.671 1.082 6.101 252 HA PHE 33 HA PHE 33 -3.885 1.933 6.518 253 HB2 PHE 33 HB2 PHE 33 -4.024 3.544 4.783 254 HB3 PHE 33 HB1 PHE 33 -4.655 2.051 4.098 255 HD1 PHE 33 HD2 PHE 33 -7.023 1.807 3.607 256 HD2 PHE 33 HD1 PHE 33 -5.453 5.438 5.174 257 HE1 PHE 33 HE2 PHE 33 -9.093 2.975 2.966 258 HE2 PHE 33 HE1 PHE 33 -7.518 6.613 4.536 259 HZ PHE 33 HZ PHE 33 -9.341 5.381 3.429 260 H GLU 34 HN GLU 34 -3.665 3.299 8.164 261 HA GLU 34 HA GLU 34 -5.872 5.118 8.806 262 HB2 GLU 34 HB2 GLU 34 -4.787 4.336 11.286 263 HB3 GLU 34 HB1 GLU 34 -6.407 4.033 10.674 264 HG2 GLU 34 HG2 GLU 34 -5.397 1.994 9.518 265 HG3 GLU 34 HG1 GLU 34 -4.000 2.250 10.563 266 H GLY 35 HN GLY 35 -5.066 7.096 8.694 267 HA2 GLY 35 HA2 GLY 35 -3.724 8.914 9.071 268 HA3 GLY 35 HA1 GLY 35 -2.947 7.980 10.339 269 H SER 36 HN SER 36 -1.376 6.285 9.521 270 HA SER 36 HA SER 36 -0.139 6.802 6.973 271 HB2 SER 36 HB2 SER 36 1.915 7.059 9.023 272 HB3 SER 36 HB1 SER 36 1.610 8.069 7.610 273 HG SER 36 HG SER 36 0.371 8.229 10.154 274 H ASP 37 HN ASP 37 -1.340 4.634 8.601 275 HA ASP 37 HA ASP 37 0.954 2.789 8.657 276 HB2 ASP 37 HB2 ASP 37 -1.655 2.506 10.161 277 HB3 ASP 37 HB1 ASP 37 -0.240 1.467 10.303 278 H PHE 38 HN PHE 38 0.987 1.730 6.798 279 HA PHE 38 HA PHE 38 -1.546 0.850 5.600 280 HB2 PHE 38 HB2 PHE 38 0.031 2.170 4.192 281 HB3 PHE 38 HB1 PHE 38 1.217 0.881 4.368 282 HD1 PHE 38 HD2 PHE 38 -2.210 1.580 3.124 283 HD2 PHE 38 HD1 PHE 38 1.224 -0.925 2.909 284 HE1 PHE 38 HE2 PHE 38 -3.175 0.429 1.175 285 HE2 PHE 38 HE1 PHE 38 0.265 -2.080 0.959 286 HZ PHE 38 HZ PHE 38 -1.937 -1.404 0.091 287 H LYS 39 HN LYS 39 -2.154 -1.122 6.210 288 HA LYS 39 HA LYS 39 -0.086 -3.200 6.474 289 HB2 LYS 39 HB2 LYS 39 -2.787 -3.101 7.830 290 HB3 LYS 39 HB1 LYS 39 -1.544 -4.321 8.071 291 HG2 LYS 39 HG2 LYS 39 -0.138 -2.820 9.201 292 HG3 LYS 39 HG1 LYS 39 -1.058 -1.418 8.652 293 HD2 LYS 39 HD2 LYS 39 -2.941 -2.077 10.030 294 HD3 LYS 39 HD1 LYS 39 -2.097 -3.548 10.520 295 HE2 LYS 39 HE2 LYS 39 -1.045 -2.462 12.149 296 HE3 LYS 39 HE1 LYS 39 -0.443 -1.257 11.014 297 HZ1 LYS 39 HZ1 LYS 39 -2.575 -0.087 11.235 298 HZ2 LYS 39 HZ2 LYS 39 -1.754 -0.201 12.709 299 HZ3 LYS 39 HZ3 LYS 39 -3.071 -1.214 12.396 300 H PHE 40 HN PHE 40 -0.134 -4.729 4.979 301 HA PHE 40 HA PHE 40 -2.696 -5.331 3.656 302 HB2 PHE 40 HB2 PHE 40 -1.099 -4.037 2.214 303 HB3 PHE 40 HB1 PHE 40 0.017 -5.391 2.330 304 HD1 PHE 40 HD1 PHE 40 -3.375 -4.441 1.184 305 HD2 PHE 40 HD2 PHE 40 -0.166 -7.223 0.899 306 HE1 PHE 40 HE1 PHE 40 -4.481 -5.514 -0.735 307 HE2 PHE 40 HE2 PHE 40 -1.265 -8.300 -1.021 308 HZ PHE 40 HZ PHE 40 -3.425 -7.445 -1.840 309 H TYR 41 HN TYR 41 -3.329 -7.334 4.074 310 HA TYR 41 HA TYR 41 -1.275 -9.426 4.367 311 HB2 TYR 41 HB2 TYR 41 -3.921 -9.477 5.808 312 HB3 TYR 41 HB1 TYR 41 -2.490 -10.453 6.122 313 HD1 TYR 41 HD1 TYR 41 -0.351 -9.085 6.841 314 HD2 TYR 41 HD2 TYR 41 -4.346 -7.655 7.159 315 HE1 TYR 41 HE1 TYR 41 0.366 -7.477 8.559 316 HE2 TYR 41 HE2 TYR 41 -3.640 -6.043 8.875 317 HH TYR 41 HH TYR 41 -1.362 -6.129 10.654 318 H ALA 42 HN ALA 42 -1.443 -11.036 2.951 319 HA ALA 42 HA ALA 42 -4.085 -11.630 1.795 320 HB1 ALA 42 HB1 ALA 42 -3.333 -11.639 -0.373 321 HB2 ALA 42 HB2 ALA 42 -1.657 -11.935 0.094 322 HB3 ALA 42 HB3 ALA 42 -2.361 -10.331 0.303 323 H LYS 43 HN LYS 43 -2.658 -12.865 3.975 324 HA LYS 43 HA LYS 43 -2.672 -14.994 4.765 325 HB2 LYS 43 HB2 LYS 43 -3.983 -15.951 3.047 326 HB3 LYS 43 HB1 LYS 43 -2.690 -15.846 1.877 327 HG2 LYS 43 HG2 LYS 43 -2.958 -18.127 2.617 328 HG3 LYS 43 HG1 LYS 43 -1.404 -17.500 3.171 329 HD2 LYS 43 HD2 LYS 43 -2.360 -18.688 4.991 330 HD3 LYS 43 HD1 LYS 43 -2.511 -16.969 5.360 331 HE2 LYS 43 HE2 LYS 43 -4.818 -17.851 3.908 332 HE3 LYS 43 HE1 LYS 43 -4.546 -18.913 5.288 333 HZ1 LYS 43 HZ1 LYS 43 -5.238 -16.078 5.233 334 HZ2 LYS 43 HZ2 LYS 43 -4.216 -16.596 6.476 335 HZ3 LYS 43 HZ3 LYS 43 -5.746 -17.294 6.294 336 HA PRO 44 HA PRO 44 1.735 -16.178 3.956 337 HB2 PRO 44 HB2 PRO 44 2.786 -16.634 1.567 338 HB3 PRO 44 HB1 PRO 44 1.602 -17.754 2.243 339 HG2 PRO 44 HG2 PRO 44 1.214 -15.600 0.204 340 HG3 PRO 44 HG1 PRO 44 0.584 -17.258 0.208 341 HD2 PRO 44 HD2 PRO 44 -0.842 -15.043 1.012 342 HD3 PRO 44 HD1 PRO 44 -1.180 -16.702 1.525 343 H TYR 45 HN TYR 45 0.574 -13.679 1.915 344 HA TYR 45 HA TYR 45 3.179 -12.353 1.923 345 HB2 TYR 45 HB2 TYR 45 0.706 -11.865 0.260 346 HB3 TYR 45 HB1 TYR 45 2.151 -10.862 0.189 347 HD1 TYR 45 HD1 TYR 45 4.315 -12.805 0.264 348 HD2 TYR 45 HD2 TYR 45 0.579 -13.004 -1.761 349 HE1 TYR 45 HE1 TYR 45 5.297 -14.344 -1.382 350 HE2 TYR 45 HE2 TYR 45 1.551 -14.544 -3.414 351 HH TYR 45 HH TYR 45 4.987 -15.365 -3.363 352 H PHE 46 HN PHE 46 3.507 -10.922 3.476 353 HA PHE 46 HA PHE 46 1.247 -9.263 4.384 354 HB2 PHE 46 HB2 PHE 46 3.176 -9.361 6.450 355 HB3 PHE 46 HB1 PHE 46 1.552 -10.040 6.461 356 HD1 PHE 46 HD2 PHE 46 5.072 -10.785 5.580 357 HD2 PHE 46 HD1 PHE 46 1.222 -12.357 6.484 358 HE1 PHE 46 HE2 PHE 46 6.030 -13.047 5.703 359 HE2 PHE 46 HE1 PHE 46 2.173 -14.624 6.610 360 HZ PHE 46 HZ PHE 46 4.579 -14.971 6.219 361 H LEU 47 HN LEU 47 1.541 -7.186 3.906 362 HA LEU 47 HA LEU 47 4.303 -6.170 3.779 363 HB2 LEU 47 HB2 LEU 47 2.166 -6.088 1.819 364 HB3 LEU 47 HB1 LEU 47 2.756 -4.481 2.200 365 HG LEU 47 HG LEU 47 4.316 -6.796 1.069 366 HD11 LEU 47 HD11 LEU 47 3.523 -5.758 -0.772 367 HD12 LEU 47 HD12 LEU 47 4.876 -4.670 -0.465 368 HD13 LEU 47 HD13 LEU 47 3.254 -4.232 0.069 369 HD21 LEU 47 HD21 LEU 47 6.190 -6.029 1.974 370 HD22 LEU 47 HD22 LEU 47 5.259 -4.835 2.878 371 HD23 LEU 47 HD23 LEU 47 5.891 -4.437 1.281 372 H ARG 48 HN ARG 48 4.711 -4.799 5.346 373 HA ARG 48 HA ARG 48 2.557 -3.020 6.292 374 HB2 ARG 48 HB2 ARG 48 4.314 -4.776 7.735 375 HB3 ARG 48 HB1 ARG 48 4.647 -3.116 8.206 376 HG2 ARG 48 HG2 ARG 48 2.680 -2.880 9.271 377 HG3 ARG 48 HG1 ARG 48 1.801 -3.857 8.093 378 HD2 ARG 48 HD2 ARG 48 2.762 -5.890 9.068 379 HD3 ARG 48 HD1 ARG 48 3.636 -4.913 10.246 380 HE ARG 48 HE ARG 48 0.952 -4.264 10.499 381 HH11 ARG 48 HH11 ARG 48 2.988 -7.064 10.891 382 HH12 ARG 48 HH12 ARG 48 1.983 -7.786 12.102 383 HH21 ARG 48 HH21 ARG 48 -0.380 -5.210 12.095 384 HH22 ARG 48 HH22 ARG 48 0.070 -6.734 12.785 385 H LEU 49 HN LEU 49 2.862 -1.036 5.479 386 HA LEU 49 HA LEU 49 5.614 0.012 5.427 387 HB2 LEU 49 HB2 LEU 49 3.426 0.409 3.393 388 HB3 LEU 49 HB1 LEU 49 4.905 1.349 3.425 389 HG LEU 49 HG LEU 49 4.871 -1.653 3.150 390 HD11 LEU 49 HD11 LEU 49 5.626 -0.651 0.718 391 HD12 LEU 49 HD12 LEU 49 4.316 0.433 1.187 392 HD13 LEU 49 HD13 LEU 49 4.035 -1.306 1.108 393 HD21 LEU 49 HD21 LEU 49 7.122 -0.407 1.976 394 HD22 LEU 49 HD22 LEU 49 7.068 -1.469 3.384 395 HD23 LEU 49 HD23 LEU 49 6.919 0.276 3.590 396 H THR 50 HN THR 50 5.949 1.881 6.413 397 HA THR 50 HA THR 50 3.650 3.300 7.544 398 HB THR 50 HB THR 50 6.385 4.159 8.271 399 HG1 THR 50 HG1 THR 50 5.351 1.651 9.154 400 HG21 THR 50 HG21 THR 50 4.176 3.325 10.115 401 HG22 THR 50 HG22 THR 50 4.113 4.871 9.269 402 HG23 THR 50 HG23 THR 50 5.446 4.521 10.371 403 H LEU 51 HN LEU 51 2.902 4.954 6.387 404 HA LEU 51 HA LEU 51 4.435 6.260 4.372 405 HB2 LEU 51 HB2 LEU 51 1.870 7.300 5.544 406 HB3 LEU 51 HB1 LEU 51 2.501 7.544 3.927 407 HG LEU 51 HG LEU 51 1.445 4.942 5.035 408 HD11 LEU 51 HD11 LEU 51 0.059 7.141 4.066 409 HD12 LEU 51 HD12 LEU 51 -0.552 5.494 4.233 410 HD13 LEU 51 HD13 LEU 51 0.137 6.029 2.699 411 HD21 LEU 51 HD21 LEU 51 2.727 5.667 2.422 412 HD22 LEU 51 HD22 LEU 51 1.611 4.309 2.560 413 HD23 LEU 51 HD23 LEU 51 3.100 4.326 3.505 414 HA PRO 52 HA PRO 52 6.467 9.351 6.797 415 HB2 PRO 52 HB2 PRO 52 7.008 11.102 4.782 416 HB3 PRO 52 HB1 PRO 52 7.902 9.594 5.017 417 HG2 PRO 52 HG2 PRO 52 5.649 10.202 3.148 418 HG3 PRO 52 HG1 PRO 52 7.152 9.313 2.831 419 HD2 PRO 52 HD2 PRO 52 4.812 8.053 3.279 420 HD3 PRO 52 HD1 PRO 52 6.361 7.381 3.829 421 H GLY 53 HN GLY 53 3.618 9.970 4.914 422 HA2 GLY 53 HA2 GLY 53 3.230 12.505 6.382 423 HA3 GLY 53 HA1 GLY 53 2.602 12.213 4.768 424 H ARG 54 HN ARG 54 0.451 12.346 5.044 425 HA ARG 54 HA ARG 54 -0.792 10.322 6.741 426 HB2 ARG 54 HB2 ARG 54 -2.283 12.813 6.879 427 HB3 ARG 54 HB1 ARG 54 -1.805 11.722 8.169 428 HG2 ARG 54 HG2 ARG 54 0.548 13.016 7.479 429 HG3 ARG 54 HG1 ARG 54 -0.688 14.270 7.383 430 HD2 ARG 54 HD2 ARG 54 -0.352 12.418 9.734 431 HD3 ARG 54 HD1 ARG 54 0.401 14.009 9.627 432 HE ARG 54 HE ARG 54 -2.191 14.578 9.208 433 HH11 ARG 54 HH11 ARG 54 -0.583 12.666 11.632 434 HH12 ARG 54 HH12 ARG 54 -1.754 13.004 12.862 435 HH21 ARG 54 HH21 ARG 54 -3.743 15.033 10.823 436 HH22 ARG 54 HH22 ARG 54 -3.550 14.350 12.403 437 H ILE 55 HN ILE 55 -2.633 9.475 5.924 438 HA ILE 55 HA ILE 55 -3.647 10.646 3.411 439 HB ILE 55 HB ILE 55 -3.571 7.744 4.254 440 HG12 ILE 55 HG12 ILE 55 -1.414 8.348 3.489 441 HG13 ILE 55 HG11 ILE 55 -2.193 7.573 2.114 442 HG21 ILE 55 HG21 ILE 55 -4.465 8.660 1.559 443 HG22 ILE 55 HG22 ILE 55 -5.604 8.657 2.905 444 HG23 ILE 55 HG23 ILE 55 -4.819 7.157 2.411 445 HD11 ILE 55 HD11 ILE 55 -1.904 10.538 2.536 446 HD12 ILE 55 HD12 ILE 55 -2.682 9.761 1.157 447 HD13 ILE 55 HD13 ILE 55 -0.954 9.542 1.433 448 H VAL 56 HN VAL 56 -5.692 11.367 3.508 449 HA VAL 56 HA VAL 56 -7.213 11.207 5.857 450 HB VAL 56 HB VAL 56 -7.348 12.977 4.034 451 HG11 VAL 56 HG11 VAL 56 -7.733 11.295 2.211 452 HG12 VAL 56 HG12 VAL 56 -8.857 12.654 2.224 453 HG13 VAL 56 HG13 VAL 56 -9.364 11.083 2.846 454 HG21 VAL 56 HG21 VAL 56 -10.051 11.976 4.864 455 HG22 VAL 56 HG22 VAL 56 -9.473 13.638 4.736 456 HG23 VAL 56 HG23 VAL 56 -8.904 12.605 6.047 457 H GLU 57 HN GLU 57 -9.376 10.405 6.098 458 HA GLU 57 HA GLU 57 -9.877 7.895 4.640 459 HB2 GLU 57 HB2 GLU 57 -9.123 7.204 6.780 460 HB3 GLU 57 HB1 GLU 57 -10.064 8.442 7.598 461 HG2 GLU 57 HG2 GLU 57 -11.703 6.993 7.885 462 HG3 GLU 57 HG1 GLU 57 -11.874 6.843 6.136 463 H ASN 58 HN ASN 58 -11.868 7.710 3.785 464 HA ASN 58 HA ASN 58 -14.162 8.974 4.953 465 HB2 ASN 58 HB2 ASN 58 -12.658 10.534 3.174 466 HB3 ASN 58 HB1 ASN 58 -14.051 9.983 2.247 467 HD21 ASN 58 HD21 ASN 58 -15.713 11.289 2.316 468 HD22 ASN 58 HD22 ASN 58 -16.139 12.339 3.622 469 H GLY 59 HN GLY 59 -13.055 6.361 3.692 470 HA2 GLY 59 HA2 GLY 59 -14.035 4.540 2.702 471 HA3 GLY 59 HA1 GLY 59 -15.558 5.412 2.771 472 H SER 60 HN SER 60 -13.381 7.339 1.176 473 HA SER 60 HA SER 60 -14.488 6.532 -1.409 474 HB2 SER 60 HB2 SER 60 -12.980 9.065 -0.728 475 HB3 SER 60 HB1 SER 60 -13.906 8.743 -2.194 476 HG SER 60 HG SER 60 -15.185 8.551 0.291 477 H GLU 61 HN GLU 61 -12.551 4.819 -0.495 478 HA GLU 61 HA GLU 61 -9.962 5.539 -1.507 479 HB2 GLU 61 HB2 GLU 61 -9.452 3.110 -1.104 480 HB3 GLU 61 HB1 GLU 61 -10.025 3.986 0.309 481 HG2 GLU 61 HG2 GLU 61 -11.615 2.481 0.589 482 HG3 GLU 61 HG1 GLU 61 -12.290 2.904 -0.982 483 H GLN 62 HN GLN 62 -8.864 4.187 -3.169 484 HA GLN 62 HA GLN 62 -10.714 3.358 -5.303 485 HB2 GLN 62 HB2 GLN 62 -8.125 4.874 -5.695 486 HB3 GLN 62 HB1 GLN 62 -9.224 4.346 -6.963 487 HG2 GLN 62 HG2 GLN 62 -10.509 5.985 -4.926 488 HG3 GLN 62 HG1 GLN 62 -9.206 6.811 -5.779 489 HE21 GLN 62 HE21 GLN 62 -11.814 7.648 -5.989 490 HE22 GLN 62 HE22 GLN 62 -12.386 7.351 -7.592 491 H GLY 63 HN GLY 63 -10.317 1.388 -6.128 492 HA2 GLY 63 HA2 GLY 63 -7.655 0.210 -5.627 493 HA3 GLY 63 HA1 GLY 63 -9.128 -0.694 -5.316 494 H SER 64 HN SER 64 -6.864 -1.239 -7.137 495 HA SER 64 HA SER 64 -8.457 -1.933 -9.449 496 HB2 SER 64 HB2 SER 64 -6.904 -0.936 -11.074 497 HB3 SER 64 HB1 SER 64 -7.630 0.306 -10.054 498 HG SER 64 HG SER 64 -5.740 0.509 -8.947 499 H TYR 65 HN TYR 65 -8.101 -4.068 -9.316 500 HA TYR 65 HA TYR 65 -5.382 -5.043 -8.848 501 HB2 TYR 65 HB2 TYR 65 -7.107 -6.053 -7.469 502 HB3 TYR 65 HB1 TYR 65 -8.043 -6.483 -8.897 503 HD1 TYR 65 HD1 TYR 65 -4.410 -6.884 -8.109 504 HD2 TYR 65 HD2 TYR 65 -8.099 -8.793 -9.035 505 HE1 TYR 65 HE1 TYR 65 -3.257 -9.054 -8.207 506 HE2 TYR 65 HE2 TYR 65 -6.954 -10.967 -9.134 507 HH TYR 65 HH TYR 65 -3.543 -11.287 -8.287 508 H ASP 66 HN ASP 66 -4.235 -5.041 -10.689 509 HA ASP 66 HA ASP 66 -5.492 -5.792 -13.200 510 HB2 ASP 66 HB2 ASP 66 -3.188 -4.237 -12.408 511 HB3 ASP 66 HB1 ASP 66 -2.741 -5.432 -13.621 512 H ALA 67 HN ALA 67 -5.834 -7.950 -13.267 513 HA ALA 67 HA ALA 67 -4.133 -9.925 -12.210 514 HB1 ALA 67 HB1 ALA 67 -6.291 -10.676 -12.614 515 HB2 ALA 67 HB2 ALA 67 -5.375 -11.417 -13.927 516 HB3 ALA 67 HB3 ALA 67 -6.342 -9.973 -14.231 517 H ASP 68 HN ASP 68 -4.544 -8.771 -15.537 518 HA ASP 68 HA ASP 68 -2.670 -10.351 -16.806 519 HB2 ASP 68 HB2 ASP 68 -4.311 -8.477 -17.697 520 HB3 ASP 68 HB1 ASP 68 -2.868 -7.473 -17.589 521 H LYS 69 HN LYS 69 -2.150 -7.152 -15.321 522 HA LYS 69 HA LYS 69 0.690 -7.264 -15.732 523 HB2 LYS 69 HB2 LYS 69 -1.080 -5.233 -15.255 524 HB3 LYS 69 HB1 LYS 69 -0.323 -5.414 -13.678 525 HG2 LYS 69 HG2 LYS 69 1.778 -4.843 -14.477 526 HG3 LYS 69 HG1 LYS 69 1.346 -5.205 -16.150 527 HD2 LYS 69 HD2 LYS 69 1.530 -2.772 -15.663 528 HD3 LYS 69 HD1 LYS 69 -0.054 -3.258 -16.270 529 HE2 LYS 69 HE2 LYS 69 -0.955 -3.240 -14.020 530 HE3 LYS 69 HE1 LYS 69 0.635 -2.858 -13.361 531 HZ1 LYS 69 HZ1 LYS 69 -1.297 -1.069 -14.153 532 HZ2 LYS 69 HZ2 LYS 69 -0.118 -0.987 -15.363 533 HZ3 LYS 69 HZ3 LYS 69 0.307 -0.712 -13.749 534 H GLY 70 HN GLY 70 -1.529 -8.326 -13.334 535 HA2 GLY 70 HA2 GLY 70 -1.235 -9.555 -11.422 536 HA3 GLY 70 HA1 GLY 70 0.418 -9.826 -11.948 537 H ILE 71 HN ILE 71 -1.290 -6.819 -11.026 538 HA ILE 71 HA ILE 71 0.426 -6.598 -8.677 539 HB ILE 71 HB ILE 71 0.239 -4.470 -10.813 540 HG12 ILE 71 HG12 ILE 71 2.431 -6.289 -9.859 541 HG13 ILE 71 HG11 ILE 71 1.914 -5.950 -11.508 542 HG21 ILE 71 HG21 ILE 71 1.621 -3.096 -9.354 543 HG22 ILE 71 HG22 ILE 71 1.577 -4.350 -8.114 544 HG23 ILE 71 HG23 ILE 71 0.096 -3.507 -8.570 545 HD11 ILE 71 HD11 ILE 71 3.715 -4.411 -9.727 546 HD12 ILE 71 HD12 ILE 71 2.744 -3.527 -10.904 547 HD13 ILE 71 HD13 ILE 71 3.863 -4.781 -11.444 548 H PHE 72 HN PHE 72 -0.428 -5.258 -7.052 549 HA PHE 72 HA PHE 72 -3.259 -4.562 -7.448 550 HB2 PHE 72 HB2 PHE 72 -2.976 -6.187 -5.688 551 HB3 PHE 72 HB1 PHE 72 -1.726 -5.209 -4.924 552 HD1 PHE 72 HD1 PHE 72 -5.045 -4.223 -6.283 553 HD2 PHE 72 HD2 PHE 72 -2.565 -4.624 -2.847 554 HE1 PHE 72 HE1 PHE 72 -6.759 -3.104 -4.919 555 HE2 PHE 72 HE2 PHE 72 -4.276 -3.506 -1.477 556 HZ PHE 72 HZ PHE 72 -6.377 -2.745 -2.513 557 H THR 73 HN THR 73 -3.642 -2.476 -7.746 558 HA THR 73 HA THR 73 -1.918 -0.534 -6.359 559 HB THR 73 HB THR 73 -3.168 0.741 -8.560 560 HG1 THR 73 HG1 THR 73 -2.674 -0.518 -10.264 561 HG21 THR 73 HG21 THR 73 -0.894 1.066 -7.347 562 HG22 THR 73 HG22 THR 73 -1.013 1.426 -9.069 563 HG23 THR 73 HG23 THR 73 -0.295 -0.093 -8.534 564 H ILE 74 HN ILE 74 -2.951 0.559 -4.831 565 HA ILE 74 HA ILE 74 -5.798 1.198 -5.255 566 HB ILE 74 HB ILE 74 -5.941 -0.418 -3.583 567 HG12 ILE 74 HG12 ILE 74 -5.600 1.663 -1.548 568 HG13 ILE 74 HG11 ILE 74 -6.539 2.199 -2.937 569 HG21 ILE 74 HG21 ILE 74 -4.317 -0.073 -1.500 570 HG22 ILE 74 HG22 ILE 74 -3.293 0.613 -2.762 571 HG23 ILE 74 HG23 ILE 74 -3.875 -1.046 -2.903 572 HD11 ILE 74 HD11 ILE 74 -7.388 -0.409 -2.059 573 HD12 ILE 74 HD12 ILE 74 -8.317 1.078 -2.246 574 HD13 ILE 74 HD13 ILE 74 -7.448 0.764 -0.744 575 H ARG 75 HN ARG 75 -6.125 3.310 -5.356 576 HA ARG 75 HA ARG 75 -4.113 5.153 -4.358 577 HB2 ARG 75 HB2 ARG 75 -6.630 6.184 -5.531 578 HB3 ARG 75 HB1 ARG 75 -4.970 6.689 -5.808 579 HG2 ARG 75 HG2 ARG 75 -4.903 4.266 -6.960 580 HG3 ARG 75 HG1 ARG 75 -6.601 4.679 -7.212 581 HD2 ARG 75 HD2 ARG 75 -5.892 5.805 -9.010 582 HD3 ARG 75 HD1 ARG 75 -5.306 7.009 -7.865 583 HE ARG 75 HE ARG 75 -3.137 6.258 -8.202 584 HH11 ARG 75 HH11 ARG 75 -5.421 4.250 -9.907 585 HH12 ARG 75 HH12 ARG 75 -4.209 3.457 -10.854 586 HH21 ARG 75 HH21 ARG 75 -1.537 5.216 -9.440 587 HH22 ARG 75 HH22 ARG 75 -2.001 4.004 -10.588 588 H LEU 76 HN LEU 76 -4.471 6.768 -2.867 589 HA LEU 76 HA LEU 76 -6.946 6.591 -1.297 590 HB2 LEU 76 HB2 LEU 76 -4.148 6.713 -0.170 591 HB3 LEU 76 HB1 LEU 76 -5.626 6.787 0.764 592 HG LEU 76 HG LEU 76 -5.766 4.427 -0.785 593 HD11 LEU 76 HD11 LEU 76 -3.541 4.104 -1.158 594 HD12 LEU 76 HD12 LEU 76 -3.668 3.392 0.451 595 HD13 LEU 76 HD13 LEU 76 -3.054 5.033 0.259 596 HD21 LEU 76 HD21 LEU 76 -5.885 5.294 1.978 597 HD22 LEU 76 HD22 LEU 76 -5.151 3.698 1.814 598 HD23 LEU 76 HD23 LEU 76 -6.761 4.000 1.161 599 HA PRO 77 HA PRO 77 -6.757 11.000 -1.546 600 HB2 PRO 77 HB2 PRO 77 -8.484 11.663 0.409 601 HB3 PRO 77 HB1 PRO 77 -9.017 10.882 -1.083 602 HG2 PRO 77 HG2 PRO 77 -8.591 9.703 1.627 603 HG3 PRO 77 HG1 PRO 77 -9.856 9.355 0.436 604 HD2 PRO 77 HD2 PRO 77 -7.604 7.803 0.847 605 HD3 PRO 77 HD1 PRO 77 -8.569 7.812 -0.642 606 H LYS 78 HN LYS 78 -5.811 12.803 -0.564 607 HA LYS 78 HA LYS 78 -4.133 12.176 1.746 608 HB2 LYS 78 HB2 LYS 78 -4.046 14.470 -0.219 609 HB3 LYS 78 HB1 LYS 78 -2.930 14.266 1.126 610 HG2 LYS 78 HG2 LYS 78 -2.706 11.861 -0.105 611 HG3 LYS 78 HG1 LYS 78 -3.018 12.924 -1.478 612 HD2 LYS 78 HD2 LYS 78 -0.953 13.755 -1.386 613 HD3 LYS 78 HD1 LYS 78 -1.120 14.121 0.333 614 HE2 LYS 78 HE2 LYS 78 0.049 12.313 0.940 615 HE3 LYS 78 HE1 LYS 78 -0.793 11.276 -0.211 616 HZ1 LYS 78 HZ1 LYS 78 1.195 11.240 -1.218 617 HZ2 LYS 78 HZ2 LYS 78 1.735 12.662 -0.479 618 HZ3 LYS 78 HZ3 LYS 78 0.736 12.745 -1.840 619 H GLU 79 HN GLU 79 -3.944 13.618 3.521 620 HA GLU 79 HA GLU 79 -6.468 14.826 4.260 621 HB2 GLU 79 HB2 GLU 79 -5.455 13.568 5.987 622 HB3 GLU 79 HB1 GLU 79 -3.886 14.314 5.721 623 HG2 GLU 79 HG2 GLU 79 -4.349 16.054 7.046 624 HG3 GLU 79 HG1 GLU 79 -6.001 16.199 6.447 625 H THR 80 HN THR 80 -3.653 15.837 2.737 626 HA THR 80 HA THR 80 -4.442 18.616 2.973 627 HB THR 80 HB THR 80 -1.701 17.661 3.816 628 HG1 THR 80 HG1 THR 80 -2.531 19.318 5.567 629 HG21 THR 80 HG21 THR 80 -1.910 20.433 4.171 630 HG22 THR 80 HG22 THR 80 -2.475 20.112 2.531 631 HG23 THR 80 HG23 THR 80 -0.873 19.572 3.034 632 HA PRO 81 HA PRO 81 -3.655 17.601 -1.405 633 HB2 PRO 81 HB2 PRO 81 -4.285 20.527 -1.390 634 HB3 PRO 81 HB1 PRO 81 -4.837 19.265 -2.498 635 HG2 PRO 81 HG2 PRO 81 -6.429 20.181 -0.561 636 HG3 PRO 81 HG1 PRO 81 -6.424 18.466 -1.015 637 HD2 PRO 81 HD2 PRO 81 -5.322 19.785 1.403 638 HD3 PRO 81 HD1 PRO 81 -5.916 18.126 1.190 639 H GLY 82 HN GLY 82 -2.004 18.162 -2.855 640 HA2 GLY 82 HA2 GLY 82 -0.011 19.068 -3.563 641 HA3 GLY 82 HA1 GLY 82 -0.198 20.316 -2.343 642 H GLN 83 HN GLN 83 -0.496 17.501 -0.685 643 HA GLN 83 HA GLN 83 2.154 17.736 0.400 644 HB2 GLN 83 HB2 GLN 83 0.172 17.205 1.804 645 HB3 GLN 83 HB1 GLN 83 0.050 15.648 0.995 646 HG2 GLN 83 HG2 GLN 83 2.050 14.875 1.939 647 HG3 GLN 83 HG1 GLN 83 2.543 16.496 2.426 648 HE21 GLN 83 HE21 GLN 83 2.875 15.555 4.523 649 HE22 GLN 83 HE22 GLN 83 1.536 15.351 5.595 650 H HIS 84 HN HIS 84 3.878 16.400 0.159 651 HA HIS 84 HA HIS 84 3.566 14.120 -1.679 652 HB2 HIS 84 HB2 HIS 84 4.791 16.392 -2.428 653 HB3 HIS 84 HB1 HIS 84 6.153 15.574 -1.671 654 HD1 HIS 84 HD1 HIS 84 7.402 14.017 -3.137 655 HD2 HIS 84 HD2 HIS 84 3.540 14.687 -4.515 656 HE1 HIS 84 HE1 HIS 84 7.253 12.806 -5.336 657 HE2 HIS 84 HE2 HIS 84 4.917 13.250 -6.167 658 H PHE 85 HN PHE 85 4.048 12.286 -0.687 659 HA PHE 85 HA PHE 85 5.495 12.197 1.773 660 HB2 PHE 85 HB2 PHE 85 4.440 10.057 -0.070 661 HB3 PHE 85 HB1 PHE 85 5.259 9.694 1.435 662 HD1 PHE 85 HD2 PHE 85 3.408 12.697 1.674 663 HD2 PHE 85 HD1 PHE 85 3.014 8.461 1.801 664 HE1 PHE 85 HE2 PHE 85 1.276 12.938 2.878 665 HE2 PHE 85 HE1 PHE 85 0.880 8.693 3.005 666 HZ PHE 85 HZ PHE 85 0.010 10.933 3.546 667 H GLU 86 HN GLU 86 7.553 12.975 1.391 668 HA GLU 86 HA GLU 86 9.227 12.223 -0.726 669 HB2 GLU 86 HB2 GLU 86 9.459 13.729 1.753 670 HB3 GLU 86 HB1 GLU 86 10.934 12.851 1.370 671 HG2 GLU 86 HG2 GLU 86 11.213 13.978 -0.659 672 HG3 GLU 86 HG1 GLU 86 9.550 14.564 -0.663 673 H GLY 87 HN GLY 87 11.244 11.021 -0.596 674 HA2 GLY 87 HA2 GLY 87 12.158 8.898 -0.479 675 HA3 GLY 87 HA1 GLY 87 12.203 9.310 1.226 676 H LEU 88 HN LEU 88 9.461 8.509 -0.897 677 HA LEU 88 HA LEU 88 8.189 6.934 1.052 678 HB2 LEU 88 HB2 LEU 88 7.735 7.707 -1.680 679 HB3 LEU 88 HB1 LEU 88 7.273 6.037 -1.428 680 HG LEU 88 HG LEU 88 6.293 8.297 0.310 681 HD11 LEU 88 HD11 LEU 88 4.251 8.293 -0.961 682 HD12 LEU 88 HD12 LEU 88 4.863 7.017 -2.013 683 HD13 LEU 88 HD13 LEU 88 5.606 8.617 -2.044 684 HD21 LEU 88 HD21 LEU 88 6.272 5.612 0.762 685 HD22 LEU 88 HD22 LEU 88 4.711 5.856 -0.020 686 HD23 LEU 88 HD23 LEU 88 5.116 6.760 1.439 687 H ASN 89 HN ASN 89 9.707 5.751 -2.018 688 HA ASN 89 HA ASN 89 9.788 3.085 -0.929 689 HB2 ASN 89 HB2 ASN 89 10.836 2.523 -3.130 690 HB3 ASN 89 HB1 ASN 89 9.263 3.305 -3.265 691 HD21 ASN 89 HD21 ASN 89 9.108 5.321 -4.154 692 HD22 ASN 89 HD22 ASN 89 10.423 6.105 -4.955 693 H MET 90 HN MET 90 11.481 5.443 0.070 694 HA MET 90 HA MET 90 14.080 4.068 -0.027 695 HB2 MET 90 HB2 MET 90 15.203 6.075 -0.039 696 HB3 MET 90 HB1 MET 90 13.754 6.549 -0.913 697 HG2 MET 90 HG2 MET 90 13.849 8.259 0.553 698 HG3 MET 90 HG1 MET 90 12.918 7.127 1.530 699 HE1 MET 90 HE1 MET 90 14.445 9.649 2.162 700 HE2 MET 90 HE2 MET 90 16.189 9.482 1.960 701 HE3 MET 90 HE3 MET 90 15.474 9.394 3.570 702 H LEU 91 HN LEU 91 11.556 5.479 1.866 703 HA LEU 91 HA LEU 91 12.666 5.648 4.384 704 HB2 LEU 91 HB2 LEU 91 10.018 5.498 3.206 705 HB3 LEU 91 HB1 LEU 91 10.070 4.666 4.752 706 HG LEU 91 HG LEU 91 10.530 7.568 4.163 707 HD11 LEU 91 HD11 LEU 91 8.779 6.000 6.035 708 HD12 LEU 91 HD12 LEU 91 8.292 7.053 4.707 709 HD13 LEU 91 HD13 LEU 91 9.005 7.744 6.164 710 HD21 LEU 91 HD21 LEU 91 11.119 7.553 6.733 711 HD22 LEU 91 HD22 LEU 91 12.366 7.349 5.501 712 HD23 LEU 91 HD23 LEU 91 11.721 5.942 6.346 713 H THR 92 HN THR 92 11.867 4.068 6.242 714 HA THR 92 HA THR 92 12.116 1.277 5.411 715 HB THR 92 HB THR 92 13.756 1.502 7.699 716 HG1 THR 92 HG1 THR 92 14.416 3.377 5.656 717 HG21 THR 92 HG21 THR 92 15.168 1.206 5.172 718 HG22 THR 92 HG22 THR 92 13.734 0.186 5.277 719 HG23 THR 92 HG23 THR 92 14.991 0.069 6.508 720 H ALA 93 HN ALA 93 12.028 -0.176 7.448 721 HA ALA 93 HA ALA 93 9.805 0.802 9.102 722 HB1 ALA 93 HB1 ALA 93 9.796 -1.832 9.599 723 HB2 ALA 93 HB2 ALA 93 10.514 -1.840 7.987 724 HB3 ALA 93 HB3 ALA 93 8.933 -1.102 8.246 725 H LEU 94 HN LEU 94 9.924 0.844 11.290 726 HA LEU 94 HA LEU 94 12.530 0.165 12.471 727 HB2 LEU 94 HB2 LEU 94 11.843 1.718 14.303 728 HB3 LEU 94 HB1 LEU 94 12.062 2.478 12.739 729 HG LEU 94 HG LEU 94 9.308 1.667 13.131 730 HD11 LEU 94 HD11 LEU 94 9.124 2.121 15.314 731 HD12 LEU 94 HD12 LEU 94 9.240 3.808 14.814 732 HD13 LEU 94 HD13 LEU 94 10.678 2.953 15.372 733 HD21 LEU 94 HD21 LEU 94 10.880 3.980 12.214 734 HD22 LEU 94 HD22 LEU 94 9.298 4.354 12.895 735 HD23 LEU 94 HD23 LEU 94 9.431 3.246 11.530 736 H LEU 95 HN LEU 95 12.663 -1.019 14.362 737 HA LEU 95 HA LEU 95 10.287 -2.623 14.966 738 HB2 LEU 95 HB2 LEU 95 13.208 -3.048 15.583 739 HB3 LEU 95 HB1 LEU 95 11.929 -4.105 16.151 740 HG LEU 95 HG LEU 95 11.319 -4.478 13.717 741 HD11 LEU 95 HD11 LEU 95 13.832 -4.019 12.570 742 HD12 LEU 95 HD12 LEU 95 13.397 -2.525 13.401 743 HD13 LEU 95 HD13 LEU 95 12.311 -3.210 12.192 744 HD21 LEU 95 HD21 LEU 95 12.828 -5.912 15.305 745 HD22 LEU 95 HD22 LEU 95 14.110 -5.407 14.203 746 HD23 LEU 95 HD23 LEU 95 12.717 -6.296 13.587 747 H ALA 96 HN ALA 96 9.139 -2.211 16.729 748 HA ALA 96 HA ALA 96 10.388 -0.649 18.886 749 HB1 ALA 96 HB1 ALA 96 7.455 -0.997 18.873 750 HB2 ALA 96 HB2 ALA 96 8.138 -0.030 17.566 751 HB3 ALA 96 HB3 ALA 96 8.432 0.424 19.245 Start of MODEL 15 1 H MET 1 H MET 1 12.545 -18.208 0.433 2 HA MET 1 HA MET 1 10.108 -16.649 0.548 3 HB2 MET 1 HB2 MET 1 11.281 -17.046 2.584 4 HB3 MET 1 HB1 MET 1 12.830 -16.661 1.846 5 HG2 MET 1 HG2 MET 1 12.619 -14.600 2.603 6 HG3 MET 1 HG1 MET 1 11.251 -14.380 1.513 7 HE1 MET 1 HE1 MET 1 12.262 -16.154 4.676 8 HE2 MET 1 HE2 MET 1 10.988 -15.821 5.848 9 HE3 MET 1 HE3 MET 1 12.176 -14.577 5.461 10 H LEU 2 HN LEU 2 9.790 -15.419 -1.227 11 HA LEU 2 HA LEU 2 12.008 -13.673 -2.050 12 HB2 LEU 2 HB2 LEU 2 9.986 -14.827 -3.961 13 HB3 LEU 2 HB1 LEU 2 11.418 -13.892 -4.357 14 HG LEU 2 HG LEU 2 11.591 -16.585 -3.025 15 HD11 LEU 2 HD11 LEU 2 10.658 -16.057 -5.644 16 HD12 LEU 2 HD12 LEU 2 11.040 -17.613 -4.906 17 HD13 LEU 2 HD13 LEU 2 12.287 -16.720 -5.776 18 HD21 LEU 2 HD21 LEU 2 13.549 -15.065 -2.943 19 HD22 LEU 2 HD22 LEU 2 13.569 -15.056 -4.707 20 HD23 LEU 2 HD23 LEU 2 13.854 -16.559 -3.829 21 H THR 3 HN THR 3 11.519 -11.603 -1.852 22 HA THR 3 HA THR 3 8.797 -10.786 -1.330 23 HB THR 3 HB THR 3 10.586 -9.794 -0.009 24 HG1 THR 3 HG1 THR 3 9.602 -7.909 -0.004 25 HG21 THR 3 HG21 THR 3 12.488 -8.959 -0.846 26 HG22 THR 3 HG22 THR 3 11.647 -8.075 -2.118 27 HG23 THR 3 HG23 THR 3 12.031 -9.782 -2.338 28 HA PRO 4 HA PRO 4 7.813 -9.809 -5.558 29 HB2 PRO 4 HB2 PRO 4 5.851 -7.970 -4.313 30 HB3 PRO 4 HB1 PRO 4 5.586 -9.293 -5.453 31 HG2 PRO 4 HG2 PRO 4 4.900 -9.529 -2.881 32 HG3 PRO 4 HG1 PRO 4 5.562 -10.902 -3.788 33 HD2 PRO 4 HD2 PRO 4 6.905 -9.119 -1.794 34 HD3 PRO 4 HD1 PRO 4 7.068 -10.872 -2.031 35 H ALA 5 HN ALA 5 7.816 -7.954 -6.983 36 HA ALA 5 HA ALA 5 9.613 -5.881 -6.035 37 HB1 ALA 5 HB1 ALA 5 8.652 -6.711 -8.747 38 HB2 ALA 5 HB2 ALA 5 10.295 -6.688 -8.107 39 HB3 ALA 5 HB3 ALA 5 9.482 -5.174 -8.504 40 H PHE 6 HN PHE 6 7.593 -5.282 -4.628 41 HA PHE 6 HA PHE 6 5.557 -3.749 -5.925 42 HB2 PHE 6 HB2 PHE 6 4.712 -3.352 -3.747 43 HB3 PHE 6 HB1 PHE 6 5.352 -4.987 -3.714 44 HD1 PHE 6 HD1 PHE 6 7.357 -5.514 -2.462 45 HD2 PHE 6 HD2 PHE 6 5.753 -1.573 -2.501 46 HE1 PHE 6 HE1 PHE 6 8.754 -4.931 -0.523 47 HE2 PHE 6 HE2 PHE 6 7.147 -0.981 -0.562 48 HZ PHE 6 HZ PHE 6 8.651 -2.662 0.429 49 H ASP 7 HN ASP 7 5.155 -1.451 -5.320 50 HA ASP 7 HA ASP 7 7.428 0.160 -4.582 51 HB2 ASP 7 HB2 ASP 7 7.566 -0.415 -7.128 52 HB3 ASP 7 HB1 ASP 7 6.275 0.772 -7.283 53 H LEU 8 HN LEU 8 6.823 2.559 -4.692 54 HA LEU 8 HA LEU 8 3.933 2.853 -4.218 55 HB2 LEU 8 HB2 LEU 8 5.867 4.570 -2.748 56 HB3 LEU 8 HB1 LEU 8 4.259 4.049 -2.285 57 HG LEU 8 HG LEU 8 6.373 1.965 -2.448 58 HD11 LEU 8 HD11 LEU 8 7.550 2.587 -0.617 59 HD12 LEU 8 HD12 LEU 8 6.184 3.431 0.112 60 HD13 LEU 8 HD13 LEU 8 7.107 4.198 -1.180 61 HD21 LEU 8 HD21 LEU 8 4.915 0.790 -1.232 62 HD22 LEU 8 HD22 LEU 8 3.749 2.051 -1.633 63 HD23 LEU 8 HD23 LEU 8 4.640 2.125 -0.113 64 H SER 9 HN SER 9 2.933 4.560 -5.063 65 HA SER 9 HA SER 9 4.487 6.748 -6.232 66 HB2 SER 9 HB2 SER 9 3.932 5.010 -8.011 67 HB3 SER 9 HB1 SER 9 2.234 5.405 -7.742 68 HG SER 9 HG SER 9 4.064 7.466 -8.264 69 H GLN 10 HN GLN 10 3.585 8.693 -5.783 70 HA GLN 10 HA GLN 10 0.755 8.717 -5.004 71 HB2 GLN 10 HB2 GLN 10 1.130 9.728 -2.969 72 HB3 GLN 10 HB1 GLN 10 2.495 8.629 -3.070 73 HG2 GLN 10 HG2 GLN 10 2.640 11.518 -3.883 74 HG3 GLN 10 HG1 GLN 10 3.015 10.942 -2.259 75 HE21 GLN 10 HE21 GLN 10 5.103 11.941 -2.773 76 HE22 GLN 10 HE22 GLN 10 6.286 10.994 -3.604 77 H ASP 11 HN ASP 11 -0.373 10.560 -5.341 78 HA ASP 11 HA ASP 11 0.916 12.587 -7.032 79 HB2 ASP 11 HB2 ASP 11 -1.770 11.344 -7.006 80 HB3 ASP 11 HB1 ASP 11 -1.737 13.076 -7.324 81 HA PRO 12 HA PRO 12 0.440 15.824 -4.108 82 HB2 PRO 12 HB2 PRO 12 -0.935 17.752 -5.534 83 HB3 PRO 12 HB1 PRO 12 0.805 17.470 -5.616 84 HG2 PRO 12 HG2 PRO 12 -1.353 16.537 -7.460 85 HG3 PRO 12 HG1 PRO 12 0.275 17.128 -7.844 86 HD2 PRO 12 HD2 PRO 12 -0.314 14.512 -7.886 87 HD3 PRO 12 HD1 PRO 12 1.269 15.098 -7.328 88 H ASP 13 HN ASP 13 -2.301 14.182 -5.218 89 HA ASP 13 HA ASP 13 -3.878 15.345 -3.049 90 HB2 ASP 13 HB2 ASP 13 -4.850 14.861 -5.866 91 HB3 ASP 13 HB1 ASP 13 -5.929 15.110 -4.499 92 H PHE 14 HN PHE 14 -2.331 12.752 -3.896 93 HA PHE 14 HA PHE 14 -4.013 10.959 -2.442 94 HB2 PHE 14 HB2 PHE 14 -3.604 10.224 -5.343 95 HB3 PHE 14 HB1 PHE 14 -4.544 9.352 -4.140 96 HD1 PHE 14 HD1 PHE 14 -4.436 12.321 -6.294 97 HD2 PHE 14 HD2 PHE 14 -6.770 9.990 -3.610 98 HE1 PHE 14 HE1 PHE 14 -6.453 13.546 -6.993 99 HE2 PHE 14 HE2 PHE 14 -8.793 11.209 -4.301 100 HZ PHE 14 HZ PHE 14 -8.635 12.990 -5.996 101 H LEU 15 HN LEU 15 -3.159 8.728 -2.404 102 HA LEU 15 HA LEU 15 -0.292 8.517 -2.995 103 HB2 LEU 15 HB2 LEU 15 -0.262 9.041 -0.682 104 HB3 LEU 15 HB1 LEU 15 -1.659 8.037 -0.357 105 HG LEU 15 HG LEU 15 0.671 7.224 0.401 106 HD11 LEU 15 HD11 LEU 15 -0.379 5.294 0.700 107 HD12 LEU 15 HD12 LEU 15 -0.404 4.965 -1.032 108 HD13 LEU 15 HD13 LEU 15 -1.688 5.927 -0.298 109 HD21 LEU 15 HD21 LEU 15 0.843 6.950 -2.555 110 HD22 LEU 15 HD22 LEU 15 1.535 5.675 -1.555 111 HD23 LEU 15 HD23 LEU 15 2.096 7.336 -1.377 112 H THR 16 HN THR 16 -0.253 6.879 -4.467 113 HA THR 16 HA THR 16 -2.085 4.627 -4.040 114 HB THR 16 HB THR 16 -0.666 5.559 -6.536 115 HG1 THR 16 HG1 THR 16 -2.807 6.487 -5.624 116 HG21 THR 16 HG21 THR 16 -0.720 3.363 -7.067 117 HG22 THR 16 HG22 THR 16 -2.415 3.708 -7.412 118 HG23 THR 16 HG23 THR 16 -1.958 2.993 -5.867 119 H ILE 17 HN ILE 17 -1.332 2.728 -3.465 120 HA ILE 17 HA ILE 17 1.564 2.262 -3.493 121 HB ILE 17 HB ILE 17 -0.494 0.591 -2.059 122 HG12 ILE 17 HG12 ILE 17 0.936 3.078 -1.102 123 HG13 ILE 17 HG11 ILE 17 -0.802 2.857 -1.269 124 HG21 ILE 17 HG21 ILE 17 1.919 0.709 -0.653 125 HG22 ILE 17 HG22 ILE 17 2.369 0.532 -2.348 126 HG23 ILE 17 HG23 ILE 17 1.294 -0.645 -1.595 127 HD11 ILE 17 HD11 ILE 17 0.404 0.882 0.478 128 HD12 ILE 17 HD12 ILE 17 -0.968 1.958 0.749 129 HD13 ILE 17 HD13 ILE 17 0.674 2.540 1.023 130 H ALA 18 HN ALA 18 2.357 0.148 -4.187 131 HA ALA 18 HA ALA 18 0.502 -1.369 -5.869 132 HB1 ALA 18 HB1 ALA 18 3.114 -0.971 -7.135 133 HB2 ALA 18 HB2 ALA 18 2.114 0.477 -7.036 134 HB3 ALA 18 HB3 ALA 18 1.496 -0.969 -7.836 135 H ILE 19 HN ILE 19 0.598 -3.366 -5.122 136 HA ILE 19 HA ILE 19 3.245 -4.527 -4.541 137 HB ILE 19 HB ILE 19 0.788 -5.499 -3.127 138 HG12 ILE 19 HG12 ILE 19 2.546 -3.526 -1.748 139 HG13 ILE 19 HG11 ILE 19 1.354 -2.898 -2.878 140 HG21 ILE 19 HG21 ILE 19 2.219 -6.741 -1.937 141 HG22 ILE 19 HG22 ILE 19 3.362 -5.412 -1.746 142 HG23 ILE 19 HG23 ILE 19 3.372 -6.378 -3.221 143 HD11 ILE 19 HD11 ILE 19 -0.215 -3.075 -1.339 144 HD12 ILE 19 HD12 ILE 19 0.988 -3.675 -0.197 145 HD13 ILE 19 HD13 ILE 19 0.084 -4.808 -1.203 146 H ARG 20 HN ARG 20 3.705 -6.342 -5.650 147 HA ARG 20 HA ARG 20 1.624 -7.467 -7.354 148 HB2 ARG 20 HB2 ARG 20 3.546 -7.074 -8.605 149 HB3 ARG 20 HB1 ARG 20 4.617 -7.598 -7.314 150 HG2 ARG 20 HG2 ARG 20 2.910 -9.755 -8.185 151 HG3 ARG 20 HG1 ARG 20 3.817 -9.065 -9.533 152 HD2 ARG 20 HD2 ARG 20 5.870 -9.247 -8.046 153 HD3 ARG 20 HD1 ARG 20 4.881 -10.245 -6.981 154 HE ARG 20 HE ARG 20 5.032 -11.964 -8.494 155 HH11 ARG 20 HH11 ARG 20 6.123 -9.010 -9.977 156 HH12 ARG 20 HH12 ARG 20 6.748 -9.796 -11.388 157 HH21 ARG 20 HH21 ARG 20 5.849 -13.011 -10.350 158 HH22 ARG 20 HH22 ARG 20 6.590 -12.071 -11.601 159 H VAL 21 HN VAL 21 0.527 -9.208 -6.780 160 HA VAL 21 HA VAL 21 1.865 -11.318 -5.251 161 HB VAL 21 HB VAL 21 0.055 -11.557 -3.683 162 HG11 VAL 21 HG11 VAL 21 1.903 -9.827 -3.330 163 HG12 VAL 21 HG12 VAL 21 0.466 -9.700 -2.316 164 HG13 VAL 21 HG13 VAL 21 0.670 -8.619 -3.695 165 HG21 VAL 21 HG21 VAL 21 -1.630 -9.491 -3.753 166 HG22 VAL 21 HG22 VAL 21 -1.941 -11.000 -4.613 167 HG23 VAL 21 HG23 VAL 21 -1.277 -9.613 -5.477 168 H SER 22 HN SER 22 1.489 -13.254 -6.096 169 HA SER 22 HA SER 22 -0.919 -13.627 -7.757 170 HB2 SER 22 HB2 SER 22 1.878 -14.007 -8.412 171 HB3 SER 22 HB1 SER 22 0.979 -15.514 -8.598 172 HG SER 22 HG SER 22 -0.227 -13.231 -9.610 173 H TYR 23 HN TYR 23 1.257 -14.951 -5.382 174 HA TYR 23 HA TYR 23 0.155 -17.563 -5.271 175 HB2 TYR 23 HB2 TYR 23 1.841 -15.967 -3.346 176 HB3 TYR 23 HB1 TYR 23 1.324 -17.618 -3.012 177 HD1 TYR 23 HD1 TYR 23 3.245 -15.542 -5.417 178 HD2 TYR 23 HD2 TYR 23 2.501 -19.449 -3.905 179 HE1 TYR 23 HE1 TYR 23 5.168 -16.395 -6.691 180 HE2 TYR 23 HE2 TYR 23 4.421 -20.312 -5.173 181 HH TYR 23 HH TYR 23 6.095 -18.372 -7.523 182 H ALA 24 HN ALA 24 -1.102 -14.616 -4.370 183 HA ALA 24 HA ALA 24 -2.333 -14.489 -2.079 184 HB1 ALA 24 HB1 ALA 24 -3.201 -13.849 -4.732 185 HB2 ALA 24 HB2 ALA 24 -3.569 -13.038 -3.209 186 HB3 ALA 24 HB3 ALA 24 -4.577 -14.376 -3.762 187 H ARG 25 HN ARG 25 -2.885 -16.044 -0.704 188 HA ARG 25 HA ARG 25 -4.126 -18.493 -1.641 189 HB2 ARG 25 HB2 ARG 25 -2.510 -17.721 0.578 190 HB3 ARG 25 HB1 ARG 25 -4.005 -18.406 1.197 191 HG2 ARG 25 HG2 ARG 25 -3.037 -20.045 -0.929 192 HG3 ARG 25 HG1 ARG 25 -1.737 -19.758 0.230 193 HD2 ARG 25 HD2 ARG 25 -2.892 -20.751 1.970 194 HD3 ARG 25 HD1 ARG 25 -4.461 -20.509 1.203 195 HE ARG 25 HE ARG 25 -3.194 -22.234 -0.464 196 HH11 ARG 25 HH11 ARG 25 -3.833 -22.218 2.960 197 HH12 ARG 25 HH12 ARG 25 -3.930 -23.944 3.081 198 HH21 ARG 25 HH21 ARG 25 -3.319 -24.505 -0.316 199 HH22 ARG 25 HH22 ARG 25 -3.637 -25.244 1.219 200 H VAL 26 HN VAL 26 -5.471 -15.671 -1.332 201 HA VAL 26 HA VAL 26 -7.934 -16.769 -0.171 202 HB VAL 26 HB VAL 26 -8.385 -14.491 0.829 203 HG11 VAL 26 HG11 VAL 26 -7.917 -15.627 2.676 204 HG12 VAL 26 HG12 VAL 26 -6.229 -15.145 2.511 205 HG13 VAL 26 HG13 VAL 26 -6.787 -16.658 1.799 206 HG21 VAL 26 HG21 VAL 26 -6.350 -13.153 1.379 207 HG22 VAL 26 HG22 VAL 26 -6.771 -13.158 -0.334 208 HG23 VAL 26 HG23 VAL 26 -5.445 -14.163 0.251 209 H SER 27 HN SER 27 -9.779 -16.235 -1.225 210 HA SER 27 HA SER 27 -9.701 -15.294 -3.848 211 HB2 SER 27 HB2 SER 27 -11.563 -16.640 -3.034 212 HB3 SER 27 HB1 SER 27 -12.026 -15.366 -1.905 213 HG SER 27 HG SER 27 -12.978 -15.643 -4.251 214 H GLU 28 HN GLU 28 -10.215 -13.635 -0.810 215 HA GLU 28 HA GLU 28 -10.060 -11.068 -2.238 216 HB2 GLU 28 HB2 GLU 28 -12.371 -11.647 -1.307 217 HB3 GLU 28 HB1 GLU 28 -11.655 -11.462 0.289 218 HG2 GLU 28 HG2 GLU 28 -11.827 -9.256 0.194 219 HG3 GLU 28 HG1 GLU 28 -11.036 -9.198 -1.381 220 H PHE 29 HN PHE 29 -8.838 -9.467 -1.261 221 HA PHE 29 HA PHE 29 -7.023 -10.430 0.816 222 HB2 PHE 29 HB2 PHE 29 -6.756 -7.850 -0.715 223 HB3 PHE 29 HB1 PHE 29 -5.500 -8.761 0.114 224 HD1 PHE 29 HD1 PHE 29 -6.893 -11.411 -1.145 225 HD2 PHE 29 HD2 PHE 29 -5.160 -7.827 -2.650 226 HE1 PHE 29 HE1 PHE 29 -6.340 -12.565 -3.246 227 HE2 PHE 29 HE2 PHE 29 -4.605 -8.975 -4.755 228 HZ PHE 29 HZ PHE 29 -5.195 -11.348 -5.054 229 H ASP 30 HN ASP 30 -6.259 -8.719 2.397 230 HA ASP 30 HA ASP 30 -8.538 -7.097 3.325 231 HB2 ASP 30 HB2 ASP 30 -6.894 -9.097 4.759 232 HB3 ASP 30 HB1 ASP 30 -7.218 -7.606 5.637 233 H VAL 31 HN VAL 31 -8.084 -4.985 3.478 234 HA VAL 31 HA VAL 31 -5.282 -4.206 3.932 235 HB VAL 31 HB VAL 31 -7.091 -2.650 2.103 236 HG11 VAL 31 HG11 VAL 31 -4.356 -2.434 1.445 237 HG12 VAL 31 HG12 VAL 31 -4.483 -2.268 3.196 238 HG13 VAL 31 HG13 VAL 31 -5.410 -1.202 2.140 239 HG21 VAL 31 HG21 VAL 31 -6.983 -4.444 0.738 240 HG22 VAL 31 HG22 VAL 31 -5.582 -5.123 1.566 241 HG23 VAL 31 HG23 VAL 31 -5.368 -3.821 0.395 242 H TYR 32 HN TYR 32 -4.952 -2.698 5.419 243 HA TYR 32 HA TYR 32 -7.272 -1.194 6.437 244 HB2 TYR 32 HB2 TYR 32 -4.994 -2.486 7.934 245 HB3 TYR 32 HB1 TYR 32 -5.971 -1.209 8.650 246 HD1 TYR 32 HD2 TYR 32 -6.274 -4.554 7.032 247 HD2 TYR 32 HD1 TYR 32 -7.934 -1.758 9.778 248 HE1 TYR 32 HE2 TYR 32 -7.935 -6.229 7.725 249 HE2 TYR 32 HE1 TYR 32 -9.599 -3.426 10.478 250 HH TYR 32 HH TYR 32 -10.680 -5.540 9.338 251 H PHE 33 HN PHE 33 -7.064 0.905 5.984 252 HA PHE 33 HA PHE 33 -4.344 2.031 5.916 253 HB2 PHE 33 HB2 PHE 33 -5.049 3.586 4.235 254 HB3 PHE 33 HB1 PHE 33 -5.518 1.975 3.710 255 HD1 PHE 33 HD2 PHE 33 -7.868 1.305 3.695 256 HD2 PHE 33 HD1 PHE 33 -6.685 5.247 4.782 257 HE1 PHE 33 HE2 PHE 33 -10.186 2.077 3.402 258 HE2 PHE 33 HE1 PHE 33 -9.001 6.025 4.492 259 HZ PHE 33 HZ PHE 33 -10.754 4.441 3.800 260 H GLU 34 HN GLU 34 -3.937 3.241 7.599 261 HA GLU 34 HA GLU 34 -5.944 5.171 8.511 262 HB2 GLU 34 HB2 GLU 34 -5.242 4.671 10.884 263 HB3 GLU 34 HB1 GLU 34 -6.194 3.415 10.106 264 HG2 GLU 34 HG2 GLU 34 -3.280 3.134 9.838 265 HG3 GLU 34 HG1 GLU 34 -3.915 2.972 11.475 266 H GLY 35 HN GLY 35 -4.901 6.986 7.834 267 HA2 GLY 35 HA2 GLY 35 -3.273 8.602 7.675 268 HA3 GLY 35 HA1 GLY 35 -2.777 8.057 9.272 269 H SER 36 HN SER 36 -0.565 8.338 8.839 270 HA SER 36 HA SER 36 0.778 7.360 6.592 271 HB2 SER 36 HB2 SER 36 2.526 7.168 8.830 272 HB3 SER 36 HB1 SER 36 2.461 8.431 7.601 273 HG SER 36 HG SER 36 1.680 8.518 10.184 274 H ASP 37 HN ASP 37 -0.730 5.639 9.067 275 HA ASP 37 HA ASP 37 1.035 3.346 8.942 276 HB2 ASP 37 HB2 ASP 37 -1.191 4.219 10.628 277 HB3 ASP 37 HB1 ASP 37 -1.260 2.505 10.231 278 H PHE 38 HN PHE 38 0.973 2.078 7.233 279 HA PHE 38 HA PHE 38 -1.643 1.457 6.024 280 HB2 PHE 38 HB2 PHE 38 -0.437 2.722 4.394 281 HB3 PHE 38 HB1 PHE 38 1.040 1.805 4.683 282 HD1 PHE 38 HD2 PHE 38 1.324 -0.431 3.769 283 HD2 PHE 38 HD1 PHE 38 -2.223 1.818 3.054 284 HE1 PHE 38 HE2 PHE 38 0.701 -1.986 1.967 285 HE2 PHE 38 HE1 PHE 38 -2.851 0.263 1.253 286 HZ PHE 38 HZ PHE 38 -1.388 -1.640 0.708 287 H LYS 39 HN LYS 39 -2.199 -0.545 6.581 288 HA LYS 39 HA LYS 39 -0.074 -2.582 6.639 289 HB2 LYS 39 HB2 LYS 39 -2.601 -2.514 8.293 290 HB3 LYS 39 HB1 LYS 39 -1.340 -3.738 8.374 291 HG2 LYS 39 HG2 LYS 39 0.169 -2.302 9.396 292 HG3 LYS 39 HG1 LYS 39 -0.693 -0.859 8.860 293 HD2 LYS 39 HD2 LYS 39 -1.923 -0.826 10.715 294 HD3 LYS 39 HD1 LYS 39 -2.389 -2.515 10.502 295 HE2 LYS 39 HE2 LYS 39 -0.493 -3.287 11.676 296 HE3 LYS 39 HE1 LYS 39 0.289 -1.709 11.605 297 HZ1 LYS 39 HZ1 LYS 39 -2.117 -2.425 13.190 298 HZ2 LYS 39 HZ2 LYS 39 -1.503 -0.855 13.046 299 HZ3 LYS 39 HZ3 LYS 39 -0.579 -2.059 13.791 300 H PHE 40 HN PHE 40 -0.253 -4.205 5.285 301 HA PHE 40 HA PHE 40 -2.830 -4.667 3.940 302 HB2 PHE 40 HB2 PHE 40 -0.971 -3.931 2.466 303 HB3 PHE 40 HB1 PHE 40 -0.042 -5.340 2.966 304 HD1 PHE 40 HD1 PHE 40 -3.669 -5.335 2.286 305 HD2 PHE 40 HD2 PHE 40 0.205 -6.359 0.852 306 HE1 PHE 40 HE1 PHE 40 -4.691 -6.646 0.471 307 HE2 PHE 40 HE2 PHE 40 -0.810 -7.671 -0.965 308 HZ PHE 40 HZ PHE 40 -3.260 -7.816 -1.157 309 H TYR 41 HN TYR 41 -3.535 -6.824 3.635 310 HA TYR 41 HA TYR 41 -2.054 -8.878 5.113 311 HB2 TYR 41 HB2 TYR 41 -4.897 -8.017 5.546 312 HB3 TYR 41 HB1 TYR 41 -4.417 -9.678 5.872 313 HD1 TYR 41 HD2 TYR 41 -2.674 -10.128 7.616 314 HD2 TYR 41 HD1 TYR 41 -4.369 -6.267 7.050 315 HE1 TYR 41 HE2 TYR 41 -1.888 -9.461 9.850 316 HE2 TYR 41 HE1 TYR 41 -3.589 -5.590 9.280 317 HH TYR 41 HH TYR 41 -1.416 -7.532 11.137 318 H ALA 42 HN ALA 42 -1.574 -10.346 3.646 319 HA ALA 42 HA ALA 42 -3.721 -11.342 1.903 320 HB1 ALA 42 HB1 ALA 42 -1.273 -11.720 0.539 321 HB2 ALA 42 HB2 ALA 42 -1.336 -10.030 1.039 322 HB3 ALA 42 HB3 ALA 42 -2.640 -10.711 0.066 323 H LYS 43 HN LYS 43 -3.734 -12.774 3.880 324 HA LYS 43 HA LYS 43 -3.003 -14.540 5.118 325 HB2 LYS 43 HB2 LYS 43 -4.477 -15.589 3.626 326 HB3 LYS 43 HB1 LYS 43 -3.319 -15.563 2.310 327 HG2 LYS 43 HG2 LYS 43 -3.273 -17.771 2.985 328 HG3 LYS 43 HG1 LYS 43 -1.900 -17.085 3.860 329 HD2 LYS 43 HD2 LYS 43 -4.087 -16.669 5.533 330 HD3 LYS 43 HD1 LYS 43 -4.330 -18.290 4.879 331 HE2 LYS 43 HE2 LYS 43 -2.282 -19.056 5.727 332 HE3 LYS 43 HE1 LYS 43 -1.687 -17.420 6.003 333 HZ1 LYS 43 HZ1 LYS 43 -4.087 -17.920 7.454 334 HZ2 LYS 43 HZ2 LYS 43 -2.580 -17.401 8.020 335 HZ3 LYS 43 HZ3 LYS 43 -2.893 -19.054 7.845 336 HA PRO 44 HA PRO 44 1.193 -16.262 3.952 337 HB2 PRO 44 HB2 PRO 44 2.107 -16.245 1.407 338 HB3 PRO 44 HB1 PRO 44 1.089 -17.534 2.044 339 HG2 PRO 44 HG2 PRO 44 0.315 -15.157 0.393 340 HG3 PRO 44 HG1 PRO 44 -0.173 -16.853 0.203 341 HD2 PRO 44 HD2 PRO 44 -1.775 -15.053 1.389 342 HD3 PRO 44 HD1 PRO 44 -1.700 -16.739 1.922 343 H TYR 45 HN TYR 45 0.253 -13.429 2.154 344 HA TYR 45 HA TYR 45 2.907 -12.263 2.564 345 HB2 TYR 45 HB2 TYR 45 0.652 -11.544 0.699 346 HB3 TYR 45 HB1 TYR 45 2.032 -10.483 0.965 347 HD1 TYR 45 HD1 TYR 45 4.304 -12.267 1.026 348 HD2 TYR 45 HD2 TYR 45 0.832 -12.443 -1.429 349 HE1 TYR 45 HE1 TYR 45 5.578 -13.498 -0.680 350 HE2 TYR 45 HE2 TYR 45 2.098 -13.675 -3.139 351 HH TYR 45 HH TYR 45 5.537 -14.436 -2.689 352 H PHE 46 HN PHE 46 3.217 -10.779 4.067 353 HA PHE 46 HA PHE 46 0.907 -9.260 5.087 354 HB2 PHE 46 HB2 PHE 46 1.342 -10.695 6.875 355 HB3 PHE 46 HB1 PHE 46 3.076 -10.711 6.568 356 HD1 PHE 46 HD1 PHE 46 0.300 -8.688 7.915 357 HD2 PHE 46 HD2 PHE 46 4.517 -9.177 7.622 358 HE1 PHE 46 HE1 PHE 46 0.615 -6.980 9.656 359 HE2 PHE 46 HE2 PHE 46 4.840 -7.469 9.363 360 HZ PHE 46 HZ PHE 46 2.887 -6.369 10.383 361 H LEU 47 HN LEU 47 1.157 -7.119 4.751 362 HA LEU 47 HA LEU 47 3.918 -6.093 4.605 363 HB2 LEU 47 HB2 LEU 47 1.774 -5.924 2.703 364 HB3 LEU 47 HB1 LEU 47 2.228 -4.317 3.225 365 HG LEU 47 HG LEU 47 3.837 -6.330 1.715 366 HD11 LEU 47 HD11 LEU 47 2.621 -3.792 1.226 367 HD12 LEU 47 HD12 LEU 47 3.444 -4.868 0.097 368 HD13 LEU 47 HD13 LEU 47 4.364 -3.661 0.995 369 HD21 LEU 47 HD21 LEU 47 5.727 -4.524 2.223 370 HD22 LEU 47 HD22 LEU 47 5.510 -5.971 3.207 371 HD23 LEU 47 HD23 LEU 47 4.848 -4.429 3.749 372 H ARG 48 HN ARG 48 4.426 -4.769 6.180 373 HA ARG 48 HA ARG 48 2.378 -2.923 7.212 374 HB2 ARG 48 HB2 ARG 48 2.863 -4.660 8.886 375 HB3 ARG 48 HB1 ARG 48 4.576 -4.281 8.789 376 HG2 ARG 48 HG2 ARG 48 3.367 -1.848 9.346 377 HG3 ARG 48 HG1 ARG 48 2.489 -3.019 10.334 378 HD2 ARG 48 HD2 ARG 48 5.253 -3.636 10.490 379 HD3 ARG 48 HD1 ARG 48 5.070 -1.903 10.763 380 HE ARG 48 HE ARG 48 3.197 -3.450 12.271 381 HH11 ARG 48 HH11 ARG 48 6.480 -2.287 12.194 382 HH12 ARG 48 HH12 ARG 48 6.676 -2.339 13.915 383 HH21 ARG 48 HH21 ARG 48 3.445 -3.525 14.537 384 HH22 ARG 48 HH22 ARG 48 4.951 -3.045 15.247 385 H LEU 49 HN LEU 49 2.911 -0.898 6.656 386 HA LEU 49 HA LEU 49 5.714 -0.079 6.854 387 HB2 LEU 49 HB2 LEU 49 3.988 0.295 4.412 388 HB3 LEU 49 HB1 LEU 49 5.518 1.107 4.664 389 HG LEU 49 HG LEU 49 5.105 -1.868 4.366 390 HD11 LEU 49 HD11 LEU 49 5.402 -1.561 2.192 391 HD12 LEU 49 HD12 LEU 49 6.898 -0.676 2.487 392 HD13 LEU 49 HD13 LEU 49 5.358 0.182 2.456 393 HD21 LEU 49 HD21 LEU 49 7.155 -2.225 5.153 394 HD22 LEU 49 HD22 LEU 49 7.122 -0.573 5.767 395 HD23 LEU 49 HD23 LEU 49 7.828 -0.911 4.188 396 H THR 50 HN THR 50 6.072 2.137 7.088 397 HA THR 50 HA THR 50 3.695 3.674 7.900 398 HB THR 50 HB THR 50 6.199 4.825 8.796 399 HG1 THR 50 HG1 THR 50 5.610 2.175 9.677 400 HG21 THR 50 HG21 THR 50 4.305 3.689 10.742 401 HG22 THR 50 HG22 THR 50 3.620 4.847 9.601 402 HG23 THR 50 HG23 THR 50 4.975 5.316 10.625 403 H LEU 51 HN LEU 51 3.121 4.916 6.237 404 HA LEU 51 HA LEU 51 4.936 5.900 4.282 405 HB2 LEU 51 HB2 LEU 51 2.116 6.815 4.825 406 HB3 LEU 51 HB1 LEU 51 3.020 7.026 3.339 407 HG LEU 51 HG LEU 51 2.607 4.240 4.276 408 HD11 LEU 51 HD11 LEU 51 0.378 4.135 3.309 409 HD12 LEU 51 HD12 LEU 51 0.409 5.876 3.020 410 HD13 LEU 51 HD13 LEU 51 0.420 5.254 4.671 411 HD21 LEU 51 HD21 LEU 51 3.371 3.868 2.229 412 HD22 LEU 51 HD22 LEU 51 3.414 5.603 1.912 413 HD23 LEU 51 HD23 LEU 51 1.954 4.678 1.559 414 HA PRO 52 HA PRO 52 6.030 9.778 6.097 415 HB2 PRO 52 HB2 PRO 52 6.488 11.035 3.581 416 HB3 PRO 52 HB1 PRO 52 7.670 10.230 4.612 417 HG2 PRO 52 HG2 PRO 52 6.852 9.342 2.110 418 HG3 PRO 52 HG1 PRO 52 7.659 8.354 3.337 419 HD2 PRO 52 HD2 PRO 52 4.762 8.520 2.638 420 HD3 PRO 52 HD1 PRO 52 5.726 7.118 3.148 421 H GLY 53 HN GLY 53 3.650 10.068 6.659 422 HA2 GLY 53 HA2 GLY 53 2.704 12.515 6.568 423 HA3 GLY 53 HA1 GLY 53 2.275 12.001 4.942 424 H ARG 54 HN ARG 54 0.058 12.137 5.260 425 HA ARG 54 HA ARG 54 -1.078 9.907 6.756 426 HB2 ARG 54 HB2 ARG 54 -2.201 12.681 7.118 427 HB3 ARG 54 HB1 ARG 54 -2.630 11.218 7.992 428 HG2 ARG 54 HG2 ARG 54 0.051 11.456 8.509 429 HG3 ARG 54 HG1 ARG 54 -0.494 13.134 8.482 430 HD2 ARG 54 HD2 ARG 54 -1.131 10.956 10.366 431 HD3 ARG 54 HD1 ARG 54 -0.969 12.689 10.652 432 HE ARG 54 HE ARG 54 -3.237 12.726 9.378 433 HH11 ARG 54 HH11 ARG 54 -2.191 10.348 11.712 434 HH12 ARG 54 HH12 ARG 54 -3.800 9.950 12.209 435 HH21 ARG 54 HH21 ARG 54 -5.349 12.205 10.036 436 HH22 ARG 54 HH22 ARG 54 -5.592 11.005 11.262 437 H ILE 55 HN ILE 55 -2.975 9.118 5.899 438 HA ILE 55 HA ILE 55 -3.934 10.456 3.447 439 HB ILE 55 HB ILE 55 -3.893 7.517 4.148 440 HG12 ILE 55 HG12 ILE 55 -1.746 8.118 3.397 441 HG13 ILE 55 HG11 ILE 55 -2.545 7.466 1.969 442 HG21 ILE 55 HG21 ILE 55 -5.350 7.047 2.518 443 HG22 ILE 55 HG22 ILE 55 -4.690 8.275 1.438 444 HG23 ILE 55 HG23 ILE 55 -5.847 8.730 2.686 445 HD11 ILE 55 HD11 ILE 55 -1.775 9.318 0.983 446 HD12 ILE 55 HD12 ILE 55 -1.558 10.167 2.512 447 HD13 ILE 55 HD13 ILE 55 -3.151 10.100 1.757 448 H VAL 56 HN VAL 56 -5.955 11.253 3.571 449 HA VAL 56 HA VAL 56 -7.555 10.994 5.835 450 HB VAL 56 HB VAL 56 -7.736 12.888 4.323 451 HG11 VAL 56 HG11 VAL 56 -8.430 12.794 2.139 452 HG12 VAL 56 HG12 VAL 56 -9.314 11.287 2.370 453 HG13 VAL 56 HG13 VAL 56 -7.554 11.270 2.273 454 HG21 VAL 56 HG21 VAL 56 -10.171 13.082 4.264 455 HG22 VAL 56 HG22 VAL 56 -9.622 12.378 5.784 456 HG23 VAL 56 HG23 VAL 56 -10.319 11.347 4.536 457 H GLU 57 HN GLU 57 -9.632 10.109 6.116 458 HA GLU 57 HA GLU 57 -10.191 7.721 4.484 459 HB2 GLU 57 HB2 GLU 57 -11.102 7.608 7.273 460 HB3 GLU 57 HB1 GLU 57 -10.315 6.377 6.294 461 HG2 GLU 57 HG2 GLU 57 -8.155 7.359 6.722 462 HG3 GLU 57 HG1 GLU 57 -8.904 8.687 7.608 463 H ASN 58 HN ASN 58 -12.217 7.583 3.699 464 HA ASN 58 HA ASN 58 -14.533 8.436 5.013 465 HB2 ASN 58 HB2 ASN 58 -13.113 10.568 3.747 466 HB3 ASN 58 HB1 ASN 58 -14.616 10.299 2.870 467 HD21 ASN 58 HD21 ASN 58 -16.202 11.526 3.558 468 HD22 ASN 58 HD22 ASN 58 -16.467 12.039 5.186 469 H GLY 59 HN GLY 59 -13.471 6.286 3.323 470 HA2 GLY 59 HA2 GLY 59 -14.624 4.755 1.996 471 HA3 GLY 59 HA1 GLY 59 -15.815 5.995 1.640 472 H SER 60 HN SER 60 -13.795 7.944 0.748 473 HA SER 60 HA SER 60 -13.740 7.213 -1.978 474 HB2 SER 60 HB2 SER 60 -11.917 9.337 -0.933 475 HB3 SER 60 HB1 SER 60 -12.927 9.336 -2.379 476 HG SER 60 HG SER 60 -14.655 9.202 -0.515 477 H GLU 61 HN GLU 61 -12.432 5.857 -2.962 478 HA GLU 61 HA GLU 61 -9.615 5.948 -2.729 479 HB2 GLU 61 HB2 GLU 61 -9.636 3.377 -1.980 480 HB3 GLU 61 HB1 GLU 61 -9.481 4.700 -0.833 481 HG2 GLU 61 HG2 GLU 61 -11.763 4.556 -0.222 482 HG3 GLU 61 HG1 GLU 61 -12.120 3.466 -1.561 483 H GLN 62 HN GLN 62 -8.555 4.255 -4.069 484 HA GLN 62 HA GLN 62 -10.372 3.089 -6.066 485 HB2 GLN 62 HB2 GLN 62 -7.932 4.785 -6.548 486 HB3 GLN 62 HB1 GLN 62 -8.534 3.670 -7.767 487 HG2 GLN 62 HG2 GLN 62 -10.802 4.968 -7.230 488 HG3 GLN 62 HG1 GLN 62 -9.648 6.236 -6.821 489 HE21 GLN 62 HE21 GLN 62 -10.021 3.773 -9.354 490 HE22 GLN 62 HE22 GLN 62 -9.710 4.840 -10.675 491 H GLY 63 HN GLY 63 -9.832 1.069 -6.785 492 HA2 GLY 63 HA2 GLY 63 -7.196 -0.001 -6.073 493 HA3 GLY 63 HA1 GLY 63 -8.616 -0.816 -5.439 494 H SER 64 HN SER 64 -6.397 -1.455 -7.459 495 HA SER 64 HA SER 64 -8.163 -2.818 -9.334 496 HB2 SER 64 HB2 SER 64 -5.751 -1.488 -10.504 497 HB3 SER 64 HB1 SER 64 -7.265 -1.950 -11.283 498 HG SER 64 HG SER 64 -8.268 -0.210 -10.227 499 H TYR 65 HN TYR 65 -7.641 -4.859 -8.816 500 HA TYR 65 HA TYR 65 -4.808 -5.542 -8.473 501 HB2 TYR 65 HB2 TYR 65 -5.987 -6.307 -6.596 502 HB3 TYR 65 HB1 TYR 65 -7.359 -6.844 -7.561 503 HD1 TYR 65 HD2 TYR 65 -3.699 -7.535 -7.858 504 HD2 TYR 65 HD1 TYR 65 -7.597 -9.128 -7.251 505 HE1 TYR 65 HE2 TYR 65 -2.769 -9.811 -7.906 506 HE2 TYR 65 HE1 TYR 65 -6.678 -11.408 -7.295 507 HH TYR 65 HH TYR 65 -4.569 -12.524 -8.333 508 H ASP 66 HN ASP 66 -3.760 -6.793 -9.874 509 HA ASP 66 HA ASP 66 -5.322 -8.041 -12.039 510 HB2 ASP 66 HB2 ASP 66 -2.884 -6.392 -12.053 511 HB3 ASP 66 HB1 ASP 66 -2.785 -7.843 -13.046 512 H ALA 67 HN ALA 67 -5.432 -10.170 -11.732 513 HA ALA 67 HA ALA 67 -3.517 -11.596 -10.156 514 HB1 ALA 67 HB1 ALA 67 -5.320 -13.183 -11.847 515 HB2 ALA 67 HB2 ALA 67 -6.117 -12.046 -10.761 516 HB3 ALA 67 HB3 ALA 67 -5.021 -13.264 -10.111 517 H ASP 68 HN ASP 68 -4.372 -11.611 -13.611 518 HA ASP 68 HA ASP 68 -2.578 -13.524 -14.489 519 HB2 ASP 68 HB2 ASP 68 -3.056 -11.076 -16.151 520 HB3 ASP 68 HB1 ASP 68 -2.988 -12.764 -16.646 521 H LYS 69 HN LYS 69 -2.061 -10.067 -13.952 522 HA LYS 69 HA LYS 69 0.773 -10.368 -14.618 523 HB2 LYS 69 HB2 LYS 69 -0.769 -7.864 -13.919 524 HB3 LYS 69 HB1 LYS 69 0.875 -7.938 -14.537 525 HG2 LYS 69 HG2 LYS 69 -0.169 -9.118 -16.568 526 HG3 LYS 69 HG1 LYS 69 -1.697 -8.475 -15.963 527 HD2 LYS 69 HD2 LYS 69 0.718 -6.993 -16.944 528 HD3 LYS 69 HD1 LYS 69 -0.960 -6.848 -17.469 529 HE2 LYS 69 HE2 LYS 69 -1.575 -5.718 -15.469 530 HE3 LYS 69 HE1 LYS 69 -0.031 -6.090 -14.705 531 HZ1 LYS 69 HZ1 LYS 69 0.797 -4.224 -15.521 532 HZ2 LYS 69 HZ2 LYS 69 -0.699 -3.845 -16.216 533 HZ3 LYS 69 HZ3 LYS 69 0.450 -4.712 -17.104 534 H GLY 70 HN GLY 70 -1.337 -10.182 -11.928 535 HA2 GLY 70 HA2 GLY 70 -0.931 -10.288 -9.667 536 HA3 GLY 70 HA1 GLY 70 0.740 -10.667 -10.063 537 H ILE 71 HN ILE 71 -1.387 -7.830 -10.427 538 HA ILE 71 HA ILE 71 0.577 -6.248 -8.924 539 HB ILE 71 HB ILE 71 -0.659 -5.329 -11.518 540 HG12 ILE 71 HG12 ILE 71 1.100 -7.113 -11.749 541 HG13 ILE 71 HG11 ILE 71 1.508 -5.584 -12.521 542 HG21 ILE 71 HG21 ILE 71 0.322 -3.855 -9.373 543 HG22 ILE 71 HG22 ILE 71 0.022 -3.273 -11.011 544 HG23 ILE 71 HG23 ILE 71 1.626 -3.848 -10.559 545 HD11 ILE 71 HD11 ILE 71 2.437 -5.907 -9.749 546 HD12 ILE 71 HD12 ILE 71 3.248 -5.209 -11.150 547 HD13 ILE 71 HD13 ILE 71 3.186 -6.959 -10.949 548 H PHE 72 HN PHE 72 -0.439 -5.378 -7.255 549 HA PHE 72 HA PHE 72 -3.262 -4.591 -7.558 550 HB2 PHE 72 HB2 PHE 72 -3.165 -6.226 -5.866 551 HB3 PHE 72 HB1 PHE 72 -1.685 -5.561 -5.185 552 HD1 PHE 72 HD1 PHE 72 -4.665 -3.590 -6.118 553 HD2 PHE 72 HD2 PHE 72 -2.402 -5.315 -2.953 554 HE1 PHE 72 HE1 PHE 72 -5.996 -2.323 -4.481 555 HE2 PHE 72 HE2 PHE 72 -3.730 -4.052 -1.311 556 HZ PHE 72 HZ PHE 72 -5.529 -2.554 -2.074 557 H THR 73 HN THR 73 -3.524 -2.478 -7.820 558 HA THR 73 HA THR 73 -1.739 -0.652 -6.347 559 HB THR 73 HB THR 73 -2.944 0.664 -8.594 560 HG1 THR 73 HG1 THR 73 -1.353 -1.607 -9.261 561 HG21 THR 73 HG21 THR 73 -1.026 1.667 -7.867 562 HG22 THR 73 HG22 THR 73 -0.361 0.698 -9.181 563 HG23 THR 73 HG23 THR 73 -0.226 0.137 -7.515 564 H ILE 74 HN ILE 74 -2.770 0.464 -4.820 565 HA ILE 74 HA ILE 74 -5.594 1.171 -5.279 566 HB ILE 74 HB ILE 74 -5.514 -0.544 -3.578 567 HG12 ILE 74 HG12 ILE 74 -6.086 1.267 -1.560 568 HG13 ILE 74 HG11 ILE 74 -6.369 2.196 -3.028 569 HG21 ILE 74 HG21 ILE 74 -4.226 -0.388 -1.581 570 HG22 ILE 74 HG22 ILE 74 -3.718 1.257 -1.966 571 HG23 ILE 74 HG23 ILE 74 -3.133 -0.096 -2.935 572 HD11 ILE 74 HD11 ILE 74 -7.691 -0.355 -2.169 573 HD12 ILE 74 HD12 ILE 74 -7.815 0.285 -3.808 574 HD13 ILE 74 HD13 ILE 74 -8.427 1.223 -2.446 575 H ARG 75 HN ARG 75 -5.892 3.286 -5.411 576 HA ARG 75 HA ARG 75 -3.888 5.128 -4.407 577 HB2 ARG 75 HB2 ARG 75 -6.419 6.098 -5.633 578 HB3 ARG 75 HB1 ARG 75 -4.773 6.679 -5.846 579 HG2 ARG 75 HG2 ARG 75 -4.275 4.708 -7.226 580 HG3 ARG 75 HG1 ARG 75 -5.951 4.184 -7.049 581 HD2 ARG 75 HD2 ARG 75 -6.048 5.278 -9.064 582 HD3 ARG 75 HD1 ARG 75 -6.477 6.581 -7.956 583 HE ARG 75 HE ARG 75 -3.715 6.634 -8.283 584 HH11 ARG 75 HH11 ARG 75 -6.583 7.093 -10.201 585 HH12 ARG 75 HH12 ARG 75 -5.833 8.211 -11.291 586 HH21 ARG 75 HH21 ARG 75 -2.715 8.106 -9.712 587 HH22 ARG 75 HH22 ARG 75 -3.633 8.786 -11.015 588 H LEU 76 HN LEU 76 -4.276 6.783 -2.926 589 HA LEU 76 HA LEU 76 -6.756 6.575 -1.367 590 HB2 LEU 76 HB2 LEU 76 -4.075 6.944 -0.063 591 HB3 LEU 76 HB1 LEU 76 -5.602 6.534 0.686 592 HG LEU 76 HG LEU 76 -3.980 4.724 -1.097 593 HD11 LEU 76 HD11 LEU 76 -2.871 4.186 0.747 594 HD12 LEU 76 HD12 LEU 76 -4.386 3.628 1.459 595 HD13 LEU 76 HD13 LEU 76 -3.856 5.291 1.706 596 HD21 LEU 76 HD21 LEU 76 -5.936 3.713 -1.459 597 HD22 LEU 76 HD22 LEU 76 -6.752 4.645 -0.205 598 HD23 LEU 76 HD23 LEU 76 -5.841 3.197 0.224 599 HA PRO 77 HA PRO 77 -6.615 10.996 -1.555 600 HB2 PRO 77 HB2 PRO 77 -8.421 11.616 0.309 601 HB3 PRO 77 HB1 PRO 77 -8.889 10.745 -1.154 602 HG2 PRO 77 HG2 PRO 77 -8.386 9.680 1.600 603 HG3 PRO 77 HG1 PRO 77 -9.685 9.274 0.464 604 HD2 PRO 77 HD2 PRO 77 -7.406 7.766 0.818 605 HD3 PRO 77 HD1 PRO 77 -8.387 7.764 -0.662 606 H LYS 78 HN LYS 78 -5.953 12.900 -0.389 607 HA LYS 78 HA LYS 78 -4.179 12.269 1.850 608 HB2 LYS 78 HB2 LYS 78 -4.337 14.783 0.182 609 HB3 LYS 78 HB1 LYS 78 -3.100 14.398 1.370 610 HG2 LYS 78 HG2 LYS 78 -3.082 12.244 -0.387 611 HG3 LYS 78 HG1 LYS 78 -3.270 13.669 -1.412 612 HD2 LYS 78 HD2 LYS 78 -1.276 14.632 -0.626 613 HD3 LYS 78 HD1 LYS 78 -1.202 13.546 0.763 614 HE2 LYS 78 HE2 LYS 78 -1.208 11.837 -1.409 615 HE3 LYS 78 HE1 LYS 78 -0.206 13.186 -1.944 616 HZ1 LYS 78 HZ1 LYS 78 0.725 11.146 -0.524 617 HZ2 LYS 78 HZ2 LYS 78 0.316 12.196 0.738 618 HZ3 LYS 78 HZ3 LYS 78 1.398 12.698 -0.461 619 H GLU 79 HN GLU 79 -4.189 13.458 3.764 620 HA GLU 79 HA GLU 79 -6.791 14.481 4.517 621 HB2 GLU 79 HB2 GLU 79 -5.860 13.081 6.153 622 HB3 GLU 79 HB1 GLU 79 -4.267 13.806 5.998 623 HG2 GLU 79 HG2 GLU 79 -5.098 14.544 8.052 624 HG3 GLU 79 HG1 GLU 79 -5.277 15.913 6.960 625 H THR 80 HN THR 80 -3.927 15.730 3.280 626 HA THR 80 HA THR 80 -4.812 18.446 3.821 627 HB THR 80 HB THR 80 -2.049 17.470 4.562 628 HG1 THR 80 HG1 THR 80 -3.810 18.935 6.219 629 HG21 THR 80 HG21 THR 80 -1.434 19.727 5.010 630 HG22 THR 80 HG22 THR 80 -3.071 20.301 4.689 631 HG23 THR 80 HG23 THR 80 -2.078 19.682 3.370 632 HA PRO 81 HA PRO 81 -3.875 18.465 -0.569 633 HB2 PRO 81 HB2 PRO 81 -3.989 21.263 -0.700 634 HB3 PRO 81 HB1 PRO 81 -5.324 20.149 -1.001 635 HG2 PRO 81 HG2 PRO 81 -4.660 21.695 1.454 636 HG3 PRO 81 HG1 PRO 81 -6.245 21.262 0.790 637 HD2 PRO 81 HD2 PRO 81 -5.224 19.999 2.922 638 HD3 PRO 81 HD1 PRO 81 -6.183 19.130 1.704 639 H GLY 82 HN GLY 82 -2.050 18.764 -1.757 640 HA2 GLY 82 HA2 GLY 82 0.051 19.577 -2.326 641 HA3 GLY 82 HA1 GLY 82 0.007 20.612 -0.908 642 H GLN 83 HN GLN 83 -0.815 17.622 0.163 643 HA GLN 83 HA GLN 83 1.673 17.221 1.477 644 HB2 GLN 83 HB2 GLN 83 -0.310 16.542 2.611 645 HB3 GLN 83 HB1 GLN 83 -0.832 15.557 1.251 646 HG2 GLN 83 HG2 GLN 83 -0.035 14.152 3.020 647 HG3 GLN 83 HG1 GLN 83 1.060 14.045 1.643 648 HE21 GLN 83 HE21 GLN 83 0.745 16.417 4.256 649 HE22 GLN 83 HE22 GLN 83 2.371 16.272 4.821 650 H HIS 84 HN HIS 84 3.437 16.331 0.638 651 HA HIS 84 HA HIS 84 3.114 14.340 -1.512 652 HB2 HIS 84 HB2 HIS 84 4.257 16.747 -1.863 653 HB3 HIS 84 HB1 HIS 84 5.664 15.844 -1.311 654 HD1 HIS 84 HD1 HIS 84 6.972 15.316 -3.342 655 HD2 HIS 84 HD2 HIS 84 2.902 14.725 -3.927 656 HE1 HIS 84 HE1 HIS 84 6.759 14.352 -5.655 657 HE2 HIS 84 HE2 HIS 84 4.296 13.916 -5.951 658 H PHE 85 HN PHE 85 3.560 12.380 -0.750 659 HA PHE 85 HA PHE 85 5.198 11.944 1.550 660 HB2 PHE 85 HB2 PHE 85 3.882 10.117 -0.449 661 HB3 PHE 85 HB1 PHE 85 4.907 9.501 0.837 662 HD1 PHE 85 HD2 PHE 85 2.975 12.452 1.584 663 HD2 PHE 85 HD1 PHE 85 2.935 8.197 1.590 664 HE1 PHE 85 HE2 PHE 85 1.053 12.476 3.122 665 HE2 PHE 85 HE1 PHE 85 1.013 8.212 3.127 666 HZ PHE 85 HZ PHE 85 0.071 10.354 3.895 667 H GLU 86 HN GLU 86 7.232 12.773 1.054 668 HA GLU 86 HA GLU 86 8.681 12.051 -1.275 669 HB2 GLU 86 HB2 GLU 86 9.389 13.381 1.318 670 HB3 GLU 86 HB1 GLU 86 10.649 12.924 0.183 671 HG2 GLU 86 HG2 GLU 86 9.277 14.226 -1.550 672 HG3 GLU 86 HG1 GLU 86 8.452 14.923 -0.157 673 H GLY 87 HN GLY 87 10.975 11.097 -0.968 674 HA2 GLY 87 HA2 GLY 87 11.991 9.011 -0.849 675 HA3 GLY 87 HA1 GLY 87 11.876 9.379 0.865 676 H LEU 88 HN LEU 88 9.207 8.645 -1.336 677 HA LEU 88 HA LEU 88 7.946 6.870 0.411 678 HB2 LEU 88 HB2 LEU 88 7.638 7.735 -2.336 679 HB3 LEU 88 HB1 LEU 88 7.195 6.053 -2.138 680 HG LEU 88 HG LEU 88 6.017 8.397 -0.645 681 HD11 LEU 88 HD11 LEU 88 5.436 7.837 -3.135 682 HD12 LEU 88 HD12 LEU 88 4.162 8.226 -1.980 683 HD13 LEU 88 HD13 LEU 88 4.485 6.544 -2.404 684 HD21 LEU 88 HD21 LEU 88 4.391 6.272 -0.165 685 HD22 LEU 88 HD22 LEU 88 5.628 6.863 0.944 686 HD23 LEU 88 HD23 LEU 88 5.982 5.511 -0.133 687 H ASN 89 HN ASN 89 9.687 6.012 -2.615 688 HA ASN 89 HA ASN 89 9.909 3.271 -1.747 689 HB2 ASN 89 HB2 ASN 89 9.470 3.835 -4.110 690 HB3 ASN 89 HB1 ASN 89 11.030 4.647 -4.198 691 HD21 ASN 89 HD21 ASN 89 9.441 1.555 -3.761 692 HD22 ASN 89 HD22 ASN 89 10.780 0.582 -4.258 693 H MET 90 HN MET 90 11.381 5.661 -0.477 694 HA MET 90 HA MET 90 14.060 4.444 -0.527 695 HB2 MET 90 HB2 MET 90 15.073 6.490 -0.481 696 HB3 MET 90 HB1 MET 90 13.591 6.974 -1.289 697 HG2 MET 90 HG2 MET 90 13.760 8.591 0.309 698 HG3 MET 90 HG1 MET 90 12.751 7.410 1.145 699 HE1 MET 90 HE1 MET 90 15.887 9.593 2.741 700 HE2 MET 90 HE2 MET 90 14.447 9.197 3.678 701 HE3 MET 90 HE3 MET 90 14.286 9.802 2.029 702 H LEU 91 HN LEU 91 11.419 5.735 1.332 703 HA LEU 91 HA LEU 91 12.332 5.867 3.884 704 HB2 LEU 91 HB2 LEU 91 10.142 5.891 4.465 705 HB3 LEU 91 HB1 LEU 91 9.915 6.007 2.728 706 HG LEU 91 HG LEU 91 9.569 3.588 4.487 707 HD11 LEU 91 HD11 LEU 91 7.451 4.241 4.402 708 HD12 LEU 91 HD12 LEU 91 7.472 3.906 2.671 709 HD13 LEU 91 HD13 LEU 91 7.837 5.528 3.258 710 HD21 LEU 91 HD21 LEU 91 10.429 2.385 2.800 711 HD22 LEU 91 HD22 LEU 91 10.328 3.725 1.659 712 HD23 LEU 91 HD23 LEU 91 8.904 2.739 1.989 713 H THR 92 HN THR 92 11.616 4.136 5.660 714 HA THR 92 HA THR 92 12.226 1.421 4.813 715 HB THR 92 HB THR 92 13.778 2.222 7.185 716 HG1 THR 92 HG1 THR 92 14.860 2.895 4.657 717 HG21 THR 92 HG21 THR 92 15.510 0.874 5.828 718 HG22 THR 92 HG22 THR 92 14.153 0.478 4.775 719 HG23 THR 92 HG23 THR 92 14.108 0.024 6.479 720 H ALA 93 HN ALA 93 11.579 -0.176 6.308 721 HA ALA 93 HA ALA 93 9.518 0.716 8.143 722 HB1 ALA 93 HB1 ALA 93 9.546 -1.391 6.526 723 HB2 ALA 93 HB2 ALA 93 8.660 -1.394 8.050 724 HB3 ALA 93 HB3 ALA 93 10.248 -2.156 7.952 725 H LEU 94 HN LEU 94 9.615 0.638 10.341 726 HA LEU 94 HA LEU 94 12.247 0.056 11.488 727 HB2 LEU 94 HB2 LEU 94 11.409 1.319 13.453 728 HB3 LEU 94 HB1 LEU 94 11.465 2.259 11.973 729 HG LEU 94 HG LEU 94 8.867 1.028 12.330 730 HD11 LEU 94 HD11 LEU 94 10.041 2.566 14.604 731 HD12 LEU 94 HD12 LEU 94 9.009 1.137 14.629 732 HD13 LEU 94 HD13 LEU 94 8.325 2.713 14.230 733 HD21 LEU 94 HD21 LEU 94 9.422 3.959 12.402 734 HD22 LEU 94 HD22 LEU 94 8.105 3.081 11.622 735 HD23 LEU 94 HD23 LEU 94 9.722 3.050 10.920 736 H LEU 95 HN LEU 95 12.584 -1.422 13.050 737 HA LEU 95 HA LEU 95 10.391 -3.272 13.612 738 HB2 LEU 95 HB2 LEU 95 13.372 -3.441 13.712 739 HB3 LEU 95 HB1 LEU 95 12.438 -4.513 14.737 740 HG LEU 95 HG LEU 95 11.191 -5.108 12.513 741 HD11 LEU 95 HD11 LEU 95 12.263 -4.729 10.521 742 HD12 LEU 95 HD12 LEU 95 13.837 -4.504 11.285 743 HD13 LEU 95 HD13 LEU 95 12.622 -3.230 11.380 744 HD21 LEU 95 HD21 LEU 95 13.797 -6.050 13.579 745 HD22 LEU 95 HD22 LEU 95 13.263 -6.679 12.021 746 HD23 LEU 95 HD23 LEU 95 12.253 -6.893 13.451 747 H ALA 96 HN ALA 96 9.247 -2.903 15.402 748 HA ALA 96 HA ALA 96 8.705 -2.435 17.560 749 HB1 ALA 96 HB1 ALA 96 11.634 -2.496 18.241 750 HB2 ALA 96 HB2 ALA 96 10.682 -3.961 17.999 751 HB3 ALA 96 HB3 ALA 96 10.256 -2.838 19.289 Start of MODEL 16 1 H MET 1 H MET 1 9.981 -19.262 -1.391 2 HA MET 1 HA MET 1 9.851 -17.371 -0.237 3 HB2 MET 1 HB2 MET 1 11.345 -18.856 0.929 4 HB3 MET 1 HB1 MET 1 12.712 -18.324 -0.037 5 HG2 MET 1 HG2 MET 1 13.176 -16.784 1.469 6 HG3 MET 1 HG1 MET 1 11.604 -16.034 1.194 7 HE1 MET 1 HE1 MET 1 9.758 -18.257 1.859 8 HE2 MET 1 HE2 MET 1 9.276 -16.930 2.916 9 HE3 MET 1 HE3 MET 1 9.541 -18.539 3.587 10 H LEU 2 HN LEU 2 9.458 -15.731 -1.798 11 HA LEU 2 HA LEU 2 11.730 -13.899 -2.125 12 HB2 LEU 2 HB2 LEU 2 9.939 -13.646 -4.347 13 HB3 LEU 2 HB1 LEU 2 11.662 -13.971 -4.348 14 HG LEU 2 HG LEU 2 11.087 -16.409 -3.968 15 HD11 LEU 2 HD11 LEU 2 8.431 -15.252 -3.924 16 HD12 LEU 2 HD12 LEU 2 8.975 -16.853 -3.426 17 HD13 LEU 2 HD13 LEU 2 8.574 -16.544 -5.116 18 HD21 LEU 2 HD21 LEU 2 10.936 -16.826 -6.245 19 HD22 LEU 2 HD22 LEU 2 11.633 -15.207 -6.190 20 HD23 LEU 2 HD23 LEU 2 9.916 -15.417 -6.539 21 H THR 3 HN THR 3 11.285 -11.950 -1.348 22 HA THR 3 HA THR 3 8.740 -11.267 -0.325 23 HB THR 3 HB THR 3 10.541 -9.009 -0.858 24 HG1 THR 3 HG1 THR 3 12.220 -10.382 -0.508 25 HG21 THR 3 HG21 THR 3 8.851 -10.076 1.306 26 HG22 THR 3 HG22 THR 3 9.106 -8.413 0.780 27 HG23 THR 3 HG23 THR 3 10.289 -9.198 1.826 28 HA PRO 4 HA PRO 4 6.575 -9.808 -3.890 29 HB2 PRO 4 HB2 PRO 4 5.486 -7.800 -1.975 30 HB3 PRO 4 HB1 PRO 4 4.629 -8.901 -3.060 31 HG2 PRO 4 HG2 PRO 4 4.736 -9.395 -0.450 32 HG3 PRO 4 HG1 PRO 4 4.873 -10.714 -1.629 33 HD2 PRO 4 HD2 PRO 4 7.006 -9.390 -0.006 34 HD3 PRO 4 HD1 PRO 4 6.831 -11.097 -0.464 35 H ALA 5 HN ALA 5 7.047 -8.362 -5.444 36 HA ALA 5 HA ALA 5 8.949 -6.259 -4.839 37 HB1 ALA 5 HB1 ALA 5 8.792 -5.906 -7.383 38 HB2 ALA 5 HB2 ALA 5 7.878 -7.414 -7.389 39 HB3 ALA 5 HB3 ALA 5 9.535 -7.390 -6.786 40 H PHE 6 HN PHE 6 7.093 -5.275 -3.496 41 HA PHE 6 HA PHE 6 5.083 -3.852 -4.978 42 HB2 PHE 6 HB2 PHE 6 4.338 -3.055 -2.854 43 HB3 PHE 6 HB1 PHE 6 4.785 -4.742 -2.640 44 HD1 PHE 6 HD1 PHE 6 6.120 -1.293 -2.247 45 HD2 PHE 6 HD2 PHE 6 6.238 -5.344 -0.945 46 HE1 PHE 6 HE1 PHE 6 7.631 -0.655 -0.411 47 HE2 PHE 6 HE2 PHE 6 7.747 -4.713 0.893 48 HZ PHE 6 HZ PHE 6 8.445 -2.367 1.162 49 H ASP 7 HN ASP 7 4.841 -1.513 -4.869 50 HA ASP 7 HA ASP 7 7.270 0.021 -4.395 51 HB2 ASP 7 HB2 ASP 7 7.625 0.734 -6.541 52 HB3 ASP 7 HB1 ASP 7 6.937 -0.843 -6.906 53 H LEU 8 HN LEU 8 6.888 2.272 -4.095 54 HA LEU 8 HA LEU 8 4.047 2.899 -3.636 55 HB2 LEU 8 HB2 LEU 8 6.136 4.468 -2.248 56 HB3 LEU 8 HB1 LEU 8 4.554 3.959 -1.689 57 HG LEU 8 HG LEU 8 6.676 1.892 -2.036 58 HD11 LEU 8 HD11 LEU 8 6.471 3.388 0.541 59 HD12 LEU 8 HD12 LEU 8 7.522 3.985 -0.743 60 HD13 LEU 8 HD13 LEU 8 7.780 2.375 -0.068 61 HD21 LEU 8 HD21 LEU 8 5.476 0.746 -0.363 62 HD22 LEU 8 HD22 LEU 8 4.255 1.434 -1.434 63 HD23 LEU 8 HD23 LEU 8 4.601 2.200 0.117 64 H SER 9 HN SER 9 3.176 4.640 -4.537 65 HA SER 9 HA SER 9 4.891 6.726 -5.660 66 HB2 SER 9 HB2 SER 9 3.740 6.719 -7.792 67 HB3 SER 9 HB1 SER 9 4.354 5.094 -7.490 68 HG SER 9 HG SER 9 2.243 4.535 -6.768 69 H GLN 10 HN GLN 10 4.111 8.724 -5.268 70 HA GLN 10 HA GLN 10 1.290 8.936 -4.474 71 HB2 GLN 10 HB2 GLN 10 1.799 10.167 -2.565 72 HB3 GLN 10 HB1 GLN 10 3.007 8.895 -2.568 73 HG2 GLN 10 HG2 GLN 10 3.592 11.575 -3.766 74 HG3 GLN 10 HG1 GLN 10 3.736 11.298 -2.032 75 HE21 GLN 10 HE21 GLN 10 5.829 11.998 -3.842 76 HE22 GLN 10 HE22 GLN 10 6.982 10.713 -3.814 77 H ASP 11 HN ASP 11 0.202 10.711 -5.055 78 HA ASP 11 HA ASP 11 1.577 12.661 -6.778 79 HB2 ASP 11 HB2 ASP 11 -0.863 11.124 -7.115 80 HB3 ASP 11 HB1 ASP 11 -1.176 12.851 -7.254 81 HA PRO 12 HA PRO 12 0.540 16.019 -4.134 82 HB2 PRO 12 HB2 PRO 12 -0.579 17.840 -5.862 83 HB3 PRO 12 HB1 PRO 12 1.154 17.551 -5.691 84 HG2 PRO 12 HG2 PRO 12 -0.748 16.483 -7.737 85 HG3 PRO 12 HG1 PRO 12 0.903 17.092 -7.955 86 HD2 PRO 12 HD2 PRO 12 0.380 14.464 -7.904 87 HD3 PRO 12 HD1 PRO 12 1.864 15.125 -7.185 88 H ASP 13 HN ASP 13 -1.938 14.218 -5.525 89 HA ASP 13 HA ASP 13 -3.898 15.568 -3.812 90 HB2 ASP 13 HB2 ASP 13 -4.557 14.524 -6.566 91 HB3 ASP 13 HB1 ASP 13 -5.634 15.376 -5.468 92 H PHE 14 HN PHE 14 -2.258 12.842 -4.357 93 HA PHE 14 HA PHE 14 -3.936 11.212 -2.758 94 HB2 PHE 14 HB2 PHE 14 -3.695 10.226 -5.605 95 HB3 PHE 14 HB1 PHE 14 -4.612 9.507 -4.295 96 HD1 PHE 14 HD2 PHE 14 -4.498 12.292 -6.693 97 HD2 PHE 14 HD1 PHE 14 -6.808 10.205 -3.793 98 HE1 PHE 14 HE2 PHE 14 -6.516 13.483 -7.450 99 HE2 PHE 14 HE1 PHE 14 -8.830 11.390 -4.545 100 HZ PHE 14 HZ PHE 14 -8.685 13.032 -6.374 101 H LEU 15 HN LEU 15 -3.141 8.889 -2.763 102 HA LEU 15 HA LEU 15 -0.301 8.653 -3.461 103 HB2 LEU 15 HB2 LEU 15 -0.277 9.239 -1.121 104 HB3 LEU 15 HB1 LEU 15 -1.531 8.071 -0.764 105 HG LEU 15 HG LEU 15 0.971 7.557 -0.193 106 HD11 LEU 15 HD11 LEU 15 -0.161 5.213 -1.517 107 HD12 LEU 15 HD12 LEU 15 -1.292 6.056 -0.459 108 HD13 LEU 15 HD13 LEU 15 0.247 5.476 0.178 109 HD21 LEU 15 HD21 LEU 15 1.107 6.146 -2.758 110 HD22 LEU 15 HD22 LEU 15 2.372 6.965 -1.841 111 HD23 LEU 15 HD23 LEU 15 1.289 7.895 -2.876 112 H THR 16 HN THR 16 -0.127 6.871 -4.757 113 HA THR 16 HA THR 16 -2.093 4.733 -4.344 114 HB THR 16 HB THR 16 -0.453 5.157 -6.835 115 HG1 THR 16 HG1 THR 16 -2.837 6.419 -6.024 116 HG21 THR 16 HG21 THR 16 -1.404 3.021 -6.864 117 HG22 THR 16 HG22 THR 16 -2.532 4.002 -7.798 118 HG23 THR 16 HG23 THR 16 -2.905 3.579 -6.126 119 H ILE 17 HN ILE 17 -1.439 2.697 -3.989 120 HA ILE 17 HA ILE 17 1.463 2.210 -3.846 121 HB ILE 17 HB ILE 17 -0.563 0.601 -2.327 122 HG12 ILE 17 HG12 ILE 17 0.656 3.246 -1.497 123 HG13 ILE 17 HG11 ILE 17 -1.055 2.905 -1.736 124 HG21 ILE 17 HG21 ILE 17 1.900 1.134 -0.972 125 HG22 ILE 17 HG22 ILE 17 2.238 0.562 -2.606 126 HG23 ILE 17 HG23 ILE 17 1.242 -0.408 -1.520 127 HD11 ILE 17 HD11 ILE 17 -0.008 1.069 0.170 128 HD12 ILE 17 HD12 ILE 17 -1.245 2.309 0.377 129 HD13 ILE 17 HD13 ILE 17 0.453 2.708 0.626 130 H ALA 18 HN ALA 18 2.237 0.153 -4.540 131 HA ALA 18 HA ALA 18 0.329 -1.402 -6.151 132 HB1 ALA 18 HB1 ALA 18 2.308 -1.732 -7.771 133 HB2 ALA 18 HB2 ALA 18 2.965 -0.279 -7.018 134 HB3 ALA 18 HB3 ALA 18 1.402 -0.221 -7.834 135 H ILE 19 HN ILE 19 0.190 -3.279 -5.110 136 HA ILE 19 HA ILE 19 2.663 -4.540 -4.131 137 HB ILE 19 HB ILE 19 -0.159 -5.303 -3.397 138 HG12 ILE 19 HG12 ILE 19 1.721 -3.573 -1.781 139 HG13 ILE 19 HG11 ILE 19 0.411 -2.931 -2.769 140 HG21 ILE 19 HG21 ILE 19 2.559 -6.012 -2.341 141 HG22 ILE 19 HG22 ILE 19 1.289 -7.085 -2.929 142 HG23 ILE 19 HG23 ILE 19 1.093 -6.247 -1.389 143 HD11 ILE 19 HD11 ILE 19 -0.797 -3.066 -0.905 144 HD12 ILE 19 HD12 ILE 19 0.343 -4.167 -0.134 145 HD13 ILE 19 HD13 ILE 19 -0.875 -4.795 -1.244 146 H ARG 20 HN ARG 20 3.439 -6.201 -5.273 147 HA ARG 20 HA ARG 20 1.760 -7.448 -7.299 148 HB2 ARG 20 HB2 ARG 20 4.707 -7.640 -6.673 149 HB3 ARG 20 HB1 ARG 20 3.925 -8.631 -7.897 150 HG2 ARG 20 HG2 ARG 20 3.644 -6.884 -9.336 151 HG3 ARG 20 HG1 ARG 20 3.570 -5.685 -8.043 152 HD2 ARG 20 HD2 ARG 20 5.702 -5.203 -8.440 153 HD3 ARG 20 HD1 ARG 20 6.127 -6.824 -7.893 154 HE ARG 20 HE ARG 20 5.994 -5.882 -10.624 155 HH11 ARG 20 HH11 ARG 20 6.109 -8.631 -8.487 156 HH12 ARG 20 HH12 ARG 20 6.687 -9.717 -9.706 157 HH21 ARG 20 HH21 ARG 20 6.755 -7.305 -12.235 158 HH22 ARG 20 HH22 ARG 20 7.057 -8.963 -11.837 159 H VAL 21 HN VAL 21 0.668 -9.239 -6.902 160 HA VAL 21 HA VAL 21 1.809 -11.285 -5.153 161 HB VAL 21 HB VAL 21 -0.231 -11.586 -3.893 162 HG11 VAL 21 HG11 VAL 21 0.869 -8.790 -3.918 163 HG12 VAL 21 HG12 VAL 21 1.262 -10.115 -2.824 164 HG13 VAL 21 HG13 VAL 21 -0.313 -9.327 -2.724 165 HG21 VAL 21 HG21 VAL 21 -2.185 -10.923 -4.719 166 HG22 VAL 21 HG22 VAL 21 -1.371 -10.013 -5.991 167 HG23 VAL 21 HG23 VAL 21 -1.712 -9.247 -4.439 168 H SER 22 HN SER 22 1.497 -13.292 -5.922 169 HA SER 22 HA SER 22 -0.373 -13.597 -8.175 170 HB2 SER 22 HB2 SER 22 1.082 -15.558 -8.803 171 HB3 SER 22 HB1 SER 22 1.879 -13.988 -8.903 172 HG SER 22 HG SER 22 2.964 -14.426 -7.027 173 H TYR 23 HN TYR 23 1.202 -16.092 -6.247 174 HA TYR 23 HA TYR 23 -0.740 -17.939 -6.162 175 HB2 TYR 23 HB2 TYR 23 1.295 -17.149 -4.121 176 HB3 TYR 23 HB1 TYR 23 0.124 -18.404 -3.726 177 HD1 TYR 23 HD1 TYR 23 1.774 -17.711 -6.987 178 HD2 TYR 23 HD2 TYR 23 1.400 -20.364 -3.682 179 HE1 TYR 23 HE1 TYR 23 3.160 -19.363 -8.166 180 HE2 TYR 23 HE2 TYR 23 2.787 -22.024 -4.852 181 HH TYR 23 HH TYR 23 4.668 -21.320 -7.488 182 H ALA 24 HN ALA 24 -0.480 -15.328 -3.738 183 HA ALA 24 HA ALA 24 -1.976 -14.653 -2.129 184 HB1 ALA 24 HB1 ALA 24 -2.837 -13.960 -4.628 185 HB2 ALA 24 HB2 ALA 24 -3.530 -13.375 -3.115 186 HB3 ALA 24 HB3 ALA 24 -4.263 -14.744 -3.949 187 H ARG 25 HN ARG 25 -2.215 -16.229 -0.637 188 HA ARG 25 HA ARG 25 -3.544 -18.667 -1.002 189 HB2 ARG 25 HB2 ARG 25 -2.215 -17.323 1.113 190 HB3 ARG 25 HB1 ARG 25 -3.775 -17.858 1.727 191 HG2 ARG 25 HG2 ARG 25 -2.920 -19.879 2.003 192 HG3 ARG 25 HG1 ARG 25 -2.745 -20.006 0.253 193 HD2 ARG 25 HD2 ARG 25 -0.555 -18.642 0.671 194 HD3 ARG 25 HD1 ARG 25 -0.721 -19.256 2.316 195 HE ARG 25 HE ARG 25 -0.937 -21.509 0.947 196 HH11 ARG 25 HH11 ARG 25 1.290 -18.868 0.523 197 HH12 ARG 25 HH12 ARG 25 2.553 -19.863 -0.117 198 HH21 ARG 25 HH21 ARG 25 0.721 -22.832 0.109 199 HH22 ARG 25 HH22 ARG 25 2.230 -22.117 -0.352 200 H VAL 26 HN VAL 26 -4.761 -16.100 1.157 201 HA VAL 26 HA VAL 26 -7.412 -17.046 1.095 202 HB VAL 26 HB VAL 26 -8.029 -14.865 2.095 203 HG11 VAL 26 HG11 VAL 26 -7.460 -16.221 3.815 204 HG12 VAL 26 HG12 VAL 26 -6.117 -15.088 3.968 205 HG13 VAL 26 HG13 VAL 26 -5.888 -16.619 3.123 206 HG21 VAL 26 HG21 VAL 26 -5.131 -14.105 2.032 207 HG22 VAL 26 HG22 VAL 26 -6.542 -13.094 2.349 208 HG23 VAL 26 HG23 VAL 26 -6.211 -13.656 0.711 209 H SER 27 HN SER 27 -9.208 -16.422 -0.062 210 HA SER 27 HA SER 27 -8.861 -15.649 -2.724 211 HB2 SER 27 HB2 SER 27 -11.159 -16.116 -0.927 212 HB3 SER 27 HB1 SER 27 -11.483 -15.063 -2.304 213 HG SER 27 HG SER 27 -10.065 -17.138 -3.163 214 H GLU 28 HN GLU 28 -9.690 -13.762 0.131 215 HA GLU 28 HA GLU 28 -9.495 -11.322 -1.510 216 HB2 GLU 28 HB2 GLU 28 -11.739 -11.845 -0.428 217 HB3 GLU 28 HB1 GLU 28 -10.956 -11.546 1.118 218 HG2 GLU 28 HG2 GLU 28 -10.966 -9.323 0.840 219 HG3 GLU 28 HG1 GLU 28 -10.579 -9.432 -0.876 220 H PHE 29 HN PHE 29 -8.176 -9.679 -0.826 221 HA PHE 29 HA PHE 29 -6.240 -10.382 1.230 222 HB2 PHE 29 HB2 PHE 29 -6.192 -7.846 -0.386 223 HB3 PHE 29 HB1 PHE 29 -4.844 -8.715 0.336 224 HD1 PHE 29 HD1 PHE 29 -6.016 -11.461 -0.746 225 HD2 PHE 29 HD2 PHE 29 -5.006 -7.720 -2.508 226 HE1 PHE 29 HE1 PHE 29 -5.597 -12.589 -2.894 227 HE2 PHE 29 HE2 PHE 29 -4.589 -8.841 -4.658 228 HZ PHE 29 HZ PHE 29 -4.883 -11.277 -4.853 229 H ASP 30 HN ASP 30 -5.511 -8.602 2.724 230 HA ASP 30 HA ASP 30 -7.849 -7.101 3.708 231 HB2 ASP 30 HB2 ASP 30 -6.077 -8.953 5.049 232 HB3 ASP 30 HB1 ASP 30 -6.031 -7.374 5.830 233 H VAL 31 HN VAL 31 -7.646 -4.983 3.503 234 HA VAL 31 HA VAL 31 -4.949 -3.802 3.662 235 HB VAL 31 HB VAL 31 -7.213 -2.627 2.058 236 HG11 VAL 31 HG11 VAL 31 -4.236 -2.199 1.862 237 HG12 VAL 31 HG12 VAL 31 -5.328 -1.167 2.786 238 HG13 VAL 31 HG13 VAL 31 -5.506 -1.295 1.037 239 HG21 VAL 31 HG21 VAL 31 -5.974 -5.021 1.453 240 HG22 VAL 31 HG22 VAL 31 -5.077 -3.838 0.503 241 HG23 VAL 31 HG23 VAL 31 -6.825 -3.973 0.318 242 H TYR 32 HN TYR 32 -4.701 -2.527 5.355 243 HA TYR 32 HA TYR 32 -7.076 -1.171 6.451 244 HB2 TYR 32 HB2 TYR 32 -4.643 -2.156 7.951 245 HB3 TYR 32 HB1 TYR 32 -6.010 -1.301 8.663 246 HD1 TYR 32 HD2 TYR 32 -8.366 -2.430 8.167 247 HD2 TYR 32 HD1 TYR 32 -4.627 -4.458 8.070 248 HE1 TYR 32 HE2 TYR 32 -9.524 -4.570 8.516 249 HE2 TYR 32 HE1 TYR 32 -5.775 -6.604 8.416 250 HH TYR 32 HH TYR 32 -8.857 -6.885 9.506 251 H PHE 33 HN PHE 33 -7.041 0.941 6.212 252 HA PHE 33 HA PHE 33 -4.441 2.328 6.206 253 HB2 PHE 33 HB2 PHE 33 -5.216 3.831 4.540 254 HB3 PHE 33 HB1 PHE 33 -5.653 2.223 3.974 255 HD1 PHE 33 HD2 PHE 33 -7.989 1.466 4.071 256 HD2 PHE 33 HD1 PHE 33 -6.883 5.451 5.070 257 HE1 PHE 33 HE2 PHE 33 -10.335 2.169 3.844 258 HE2 PHE 33 HE1 PHE 33 -9.228 6.162 4.847 259 HZ PHE 33 HZ PHE 33 -10.958 4.520 4.232 260 H GLU 34 HN GLU 34 -4.244 3.442 8.030 261 HA GLU 34 HA GLU 34 -6.535 5.024 8.962 262 HB2 GLU 34 HB2 GLU 34 -5.056 2.925 10.429 263 HB3 GLU 34 HB1 GLU 34 -5.369 4.406 11.324 264 HG2 GLU 34 HG2 GLU 34 -7.805 4.035 10.372 265 HG3 GLU 34 HG1 GLU 34 -7.255 2.360 10.311 266 H GLY 35 HN GLY 35 -5.967 7.096 8.945 267 HA2 GLY 35 HA2 GLY 35 -4.723 9.008 9.165 268 HA3 GLY 35 HA1 GLY 35 -3.781 8.131 10.363 269 H SER 36 HN SER 36 -2.093 6.663 9.511 270 HA SER 36 HA SER 36 -1.105 7.252 6.842 271 HB2 SER 36 HB2 SER 36 1.043 7.521 8.817 272 HB3 SER 36 HB1 SER 36 0.674 8.524 7.413 273 HG SER 36 HG SER 36 0.091 9.902 8.899 274 H ASP 37 HN ASP 37 -2.120 4.977 8.425 275 HA ASP 37 HA ASP 37 0.249 3.229 8.363 276 HB2 ASP 37 HB2 ASP 37 -2.040 3.432 10.196 277 HB3 ASP 37 HB1 ASP 37 -1.655 1.787 9.700 278 H PHE 38 HN PHE 38 0.327 2.212 6.455 279 HA PHE 38 HA PHE 38 -2.185 1.183 5.328 280 HB2 PHE 38 HB2 PHE 38 -0.956 2.611 3.785 281 HB3 PHE 38 HB1 PHE 38 0.498 1.638 4.002 282 HD1 PHE 38 HD2 PHE 38 0.630 -0.625 3.062 283 HD2 PHE 38 HD1 PHE 38 -2.732 1.892 2.372 284 HE1 PHE 38 HE2 PHE 38 -0.073 -2.079 1.207 285 HE2 PHE 38 HE1 PHE 38 -3.444 0.440 0.518 286 HZ PHE 38 HZ PHE 38 -2.114 -1.548 -0.067 287 H LYS 39 HN LYS 39 -2.573 -0.842 5.898 288 HA LYS 39 HA LYS 39 -0.298 -2.706 6.047 289 HB2 LYS 39 HB2 LYS 39 -2.887 -3.149 7.495 290 HB3 LYS 39 HB1 LYS 39 -1.302 -3.833 7.833 291 HG2 LYS 39 HG2 LYS 39 -0.510 -1.754 8.698 292 HG3 LYS 39 HG1 LYS 39 -1.973 -0.920 8.172 293 HD2 LYS 39 HD2 LYS 39 -3.029 -1.464 10.055 294 HD3 LYS 39 HD1 LYS 39 -2.641 -3.173 9.835 295 HE2 LYS 39 HE2 LYS 39 -1.477 -2.861 11.744 296 HE3 LYS 39 HE1 LYS 39 -0.246 -2.263 10.632 297 HZ1 LYS 39 HZ1 LYS 39 -2.057 -0.196 11.337 298 HZ2 LYS 39 HZ2 LYS 39 -0.378 -0.259 11.535 299 HZ3 LYS 39 HZ3 LYS 39 -1.395 -0.895 12.728 300 H PHE 40 HN PHE 40 -0.326 -4.452 4.808 301 HA PHE 40 HA PHE 40 -2.842 -5.206 3.471 302 HB2 PHE 40 HB2 PHE 40 -1.341 -4.002 1.918 303 HB3 PHE 40 HB1 PHE 40 -0.075 -5.176 2.246 304 HD1 PHE 40 HD2 PHE 40 -3.670 -5.200 1.229 305 HD2 PHE 40 HD1 PHE 40 0.235 -6.795 0.673 306 HE1 PHE 40 HE2 PHE 40 -4.516 -6.626 -0.587 307 HE2 PHE 40 HE1 PHE 40 -0.602 -8.225 -1.145 308 HZ PHE 40 HZ PHE 40 -2.981 -8.142 -1.778 309 H TYR 41 HN TYR 41 -3.389 -7.146 4.304 310 HA TYR 41 HA TYR 41 -1.265 -9.173 4.496 311 HB2 TYR 41 HB2 TYR 41 -3.601 -9.005 6.396 312 HB3 TYR 41 HB1 TYR 41 -2.177 -10.029 6.526 313 HD1 TYR 41 HD2 TYR 41 0.106 -8.497 6.403 314 HD2 TYR 41 HD1 TYR 41 -3.679 -7.285 7.913 315 HE1 TYR 41 HE2 TYR 41 1.214 -6.799 7.793 316 HE2 TYR 41 HE1 TYR 41 -2.584 -5.583 9.309 317 HH TYR 41 HH TYR 41 -0.656 -4.710 9.974 318 H ALA 42 HN ALA 42 -1.663 -11.041 3.511 319 HA ALA 42 HA ALA 42 -4.406 -11.557 2.554 320 HB1 ALA 42 HB1 ALA 42 -1.877 -11.613 1.191 321 HB2 ALA 42 HB2 ALA 42 -3.501 -11.814 0.533 322 HB3 ALA 42 HB3 ALA 42 -2.620 -13.212 1.148 323 H LYS 43 HN LYS 43 -1.464 -13.441 3.137 324 HA LYS 43 HA LYS 43 -2.618 -14.946 5.261 325 HB2 LYS 43 HB2 LYS 43 -3.694 -16.366 3.822 326 HB3 LYS 43 HB1 LYS 43 -2.549 -16.101 2.519 327 HG2 LYS 43 HG2 LYS 43 -2.204 -18.316 3.159 328 HG3 LYS 43 HG1 LYS 43 -0.896 -17.437 3.949 329 HD2 LYS 43 HD2 LYS 43 -2.069 -17.470 6.047 330 HD3 LYS 43 HD1 LYS 43 -3.501 -18.163 5.283 331 HE2 LYS 43 HE2 LYS 43 -1.454 -19.901 4.600 332 HE3 LYS 43 HE1 LYS 43 -1.106 -19.466 6.271 333 HZ1 LYS 43 HZ1 LYS 43 -3.638 -20.610 5.227 334 HZ2 LYS 43 HZ2 LYS 43 -3.420 -20.072 6.816 335 HZ3 LYS 43 HZ3 LYS 43 -2.517 -21.379 6.235 336 HA PRO 44 HA PRO 44 1.926 -16.158 4.807 337 HB2 PRO 44 HB2 PRO 44 3.105 -16.516 2.469 338 HB3 PRO 44 HB1 PRO 44 1.893 -17.676 3.016 339 HG2 PRO 44 HG2 PRO 44 1.607 -15.432 1.056 340 HG3 PRO 44 HG1 PRO 44 0.991 -17.090 0.947 341 HD2 PRO 44 HD2 PRO 44 -0.497 -14.907 1.782 342 HD3 PRO 44 HD1 PRO 44 -0.859 -16.599 2.160 343 H TYR 45 HN TYR 45 0.823 -13.711 2.635 344 HA TYR 45 HA TYR 45 3.340 -12.254 2.733 345 HB2 TYR 45 HB2 TYR 45 0.809 -11.868 1.142 346 HB3 TYR 45 HB1 TYR 45 2.164 -10.748 1.082 347 HD1 TYR 45 HD1 TYR 45 4.521 -12.191 0.802 348 HD2 TYR 45 HD2 TYR 45 0.680 -13.259 -0.683 349 HE1 TYR 45 HE1 TYR 45 5.582 -13.572 -0.932 350 HE2 TYR 45 HE2 TYR 45 1.730 -14.645 -2.423 351 HH TYR 45 HH TYR 45 4.817 -15.670 -2.341 352 H PHE 46 HN PHE 46 3.668 -10.739 4.229 353 HA PHE 46 HA PHE 46 1.343 -9.257 5.265 354 HB2 PHE 46 HB2 PHE 46 3.653 -10.499 6.667 355 HB3 PHE 46 HB1 PHE 46 3.092 -8.943 7.273 356 HD1 PHE 46 HD2 PHE 46 1.957 -12.368 6.437 357 HD2 PHE 46 HD1 PHE 46 1.222 -8.816 8.661 358 HE1 PHE 46 HE2 PHE 46 0.150 -13.510 7.655 359 HE2 PHE 46 HE1 PHE 46 -0.586 -9.951 9.885 360 HZ PHE 46 HZ PHE 46 -1.124 -12.301 9.381 361 H LEU 47 HN LEU 47 1.357 -7.215 4.591 362 HA LEU 47 HA LEU 47 3.963 -5.916 4.165 363 HB2 LEU 47 HB2 LEU 47 1.580 -6.084 2.494 364 HB3 LEU 47 HB1 LEU 47 2.176 -4.448 2.692 365 HG LEU 47 HG LEU 47 3.669 -6.808 1.558 366 HD11 LEU 47 HD11 LEU 47 1.966 -5.065 0.343 367 HD12 LEU 47 HD12 LEU 47 3.276 -5.932 -0.459 368 HD13 LEU 47 HD13 LEU 47 3.525 -4.278 0.099 369 HD21 LEU 47 HD21 LEU 47 4.647 -4.119 2.455 370 HD22 LEU 47 HD22 LEU 47 5.462 -5.013 1.173 371 HD23 LEU 47 HD23 LEU 47 5.325 -5.713 2.786 372 H ARG 48 HN ARG 48 4.391 -4.505 5.696 373 HA ARG 48 HA ARG 48 2.214 -2.777 6.677 374 HB2 ARG 48 HB2 ARG 48 2.886 -4.163 8.495 375 HB3 ARG 48 HB1 ARG 48 4.590 -3.926 8.135 376 HG2 ARG 48 HG2 ARG 48 3.518 -1.371 8.575 377 HG3 ARG 48 HG1 ARG 48 2.870 -2.414 9.843 378 HD2 ARG 48 HD2 ARG 48 5.705 -2.860 9.329 379 HD3 ARG 48 HD1 ARG 48 5.348 -1.212 9.845 380 HE ARG 48 HE ARG 48 4.684 -2.017 11.915 381 HH11 ARG 48 HH11 ARG 48 5.385 -4.650 9.738 382 HH12 ARG 48 HH12 ARG 48 5.384 -5.849 10.987 383 HH21 ARG 48 HH21 ARG 48 4.681 -3.588 13.561 384 HH22 ARG 48 HH22 ARG 48 4.985 -5.246 13.162 385 H LEU 49 HN LEU 49 2.441 -0.809 5.814 386 HA LEU 49 HA LEU 49 5.158 0.312 5.621 387 HB2 LEU 49 HB2 LEU 49 3.101 1.217 3.689 388 HB3 LEU 49 HB1 LEU 49 4.834 1.052 3.488 389 HG LEU 49 HG LEU 49 2.807 -1.182 3.437 390 HD11 LEU 49 HD11 LEU 49 3.043 0.381 1.436 391 HD12 LEU 49 HD12 LEU 49 3.216 -1.348 1.139 392 HD13 LEU 49 HD13 LEU 49 4.647 -0.323 1.229 393 HD21 LEU 49 HD21 LEU 49 5.479 -1.851 2.565 394 HD22 LEU 49 HD22 LEU 49 4.434 -2.668 3.726 395 HD23 LEU 49 HD23 LEU 49 5.457 -1.330 4.249 396 H THR 50 HN THR 50 5.461 2.303 6.403 397 HA THR 50 HA THR 50 3.108 3.731 7.451 398 HB THR 50 HB THR 50 5.920 4.314 8.324 399 HG1 THR 50 HG1 THR 50 5.318 1.972 8.564 400 HG21 THR 50 HG21 THR 50 4.960 5.420 10.058 401 HG22 THR 50 HG22 THR 50 3.600 4.303 10.160 402 HG23 THR 50 HG23 THR 50 3.622 5.551 8.915 403 H LEU 51 HN LEU 51 2.501 5.384 6.207 404 HA LEU 51 HA LEU 51 4.302 6.593 4.326 405 HB2 LEU 51 HB2 LEU 51 1.493 7.389 5.082 406 HB3 LEU 51 HB1 LEU 51 2.387 7.976 3.693 407 HG LEU 51 HG LEU 51 1.722 5.063 4.075 408 HD11 LEU 51 HD11 LEU 51 -0.414 5.841 3.895 409 HD12 LEU 51 HD12 LEU 51 0.010 5.744 2.185 410 HD13 LEU 51 HD13 LEU 51 0.070 7.296 3.023 411 HD21 LEU 51 HD21 LEU 51 3.387 5.167 2.487 412 HD22 LEU 51 HD22 LEU 51 2.862 6.740 1.885 413 HD23 LEU 51 HD23 LEU 51 1.939 5.290 1.487 414 HA PRO 52 HA PRO 52 5.757 9.960 6.791 415 HB2 PRO 52 HB2 PRO 52 5.982 11.612 4.405 416 HB3 PRO 52 HB1 PRO 52 7.264 10.888 5.379 417 HG2 PRO 52 HG2 PRO 52 6.674 10.075 2.853 418 HG3 PRO 52 HG1 PRO 52 7.354 8.999 4.087 419 HD2 PRO 52 HD2 PRO 52 4.529 9.251 3.137 420 HD3 PRO 52 HD1 PRO 52 5.453 7.797 3.569 421 H GLY 53 HN GLY 53 2.973 10.184 4.827 422 HA2 GLY 53 HA2 GLY 53 2.076 12.521 6.370 423 HA3 GLY 53 HA1 GLY 53 1.923 12.542 4.620 424 H ARG 54 HN ARG 54 -0.032 12.454 6.998 425 HA ARG 54 HA ARG 54 -1.369 10.001 6.950 426 HB2 ARG 54 HB2 ARG 54 -3.013 12.431 7.366 427 HB3 ARG 54 HB1 ARG 54 -2.910 10.964 8.327 428 HG2 ARG 54 HG2 ARG 54 -0.535 11.891 8.929 429 HG3 ARG 54 HG1 ARG 54 -1.247 13.429 8.438 430 HD2 ARG 54 HD2 ARG 54 -2.038 13.560 10.521 431 HD3 ARG 54 HD1 ARG 54 -3.196 12.323 10.034 432 HE ARG 54 HE ARG 54 -2.120 10.859 11.410 433 HH11 ARG 54 HH11 ARG 54 0.037 13.489 10.679 434 HH12 ARG 54 HH12 ARG 54 1.273 12.950 11.767 435 HH21 ARG 54 HH21 ARG 54 -0.501 10.137 12.846 436 HH22 ARG 54 HH22 ARG 54 0.968 11.044 12.998 437 H ILE 55 HN ILE 55 -3.412 9.440 6.055 438 HA ILE 55 HA ILE 55 -3.987 10.735 3.467 439 HB ILE 55 HB ILE 55 -4.149 7.811 4.211 440 HG12 ILE 55 HG12 ILE 55 -1.909 8.511 3.628 441 HG13 ILE 55 HG11 ILE 55 -2.570 7.558 2.305 442 HG21 ILE 55 HG21 ILE 55 -5.951 9.033 2.598 443 HG22 ILE 55 HG22 ILE 55 -5.455 7.350 2.442 444 HG23 ILE 55 HG23 ILE 55 -4.706 8.587 1.434 445 HD11 ILE 55 HD11 ILE 55 -3.176 9.760 1.216 446 HD12 ILE 55 HD12 ILE 55 -1.461 9.362 1.306 447 HD13 ILE 55 HD13 ILE 55 -2.158 10.523 2.436 448 H VAL 56 HN VAL 56 -5.992 11.551 3.277 449 HA VAL 56 HA VAL 56 -7.819 11.466 5.409 450 HB VAL 56 HB VAL 56 -7.661 13.281 3.688 451 HG11 VAL 56 HG11 VAL 56 -7.757 11.511 1.799 452 HG12 VAL 56 HG12 VAL 56 -8.548 13.070 1.567 453 HG13 VAL 56 HG13 VAL 56 -9.504 11.652 1.995 454 HG21 VAL 56 HG21 VAL 56 -9.799 13.976 4.113 455 HG22 VAL 56 HG22 VAL 56 -9.661 12.676 5.296 456 HG23 VAL 56 HG23 VAL 56 -10.499 12.393 3.770 457 H GLU 57 HN GLU 57 -10.046 10.806 5.320 458 HA GLU 57 HA GLU 57 -10.442 8.283 3.853 459 HB2 GLU 57 HB2 GLU 57 -11.798 7.580 5.892 460 HB3 GLU 57 HB1 GLU 57 -10.051 7.598 6.073 461 HG2 GLU 57 HG2 GLU 57 -11.837 9.855 6.932 462 HG3 GLU 57 HG1 GLU 57 -11.342 8.538 7.996 463 H ASN 58 HN ASN 58 -12.220 8.255 2.629 464 HA ASN 58 HA ASN 58 -14.594 9.703 3.470 465 HB2 ASN 58 HB2 ASN 58 -13.077 11.241 2.061 466 HB3 ASN 58 HB1 ASN 58 -13.558 10.235 0.698 467 HD21 ASN 58 HD21 ASN 58 -14.213 12.674 0.314 468 HD22 ASN 58 HD22 ASN 58 -15.876 13.006 0.643 469 H GLY 59 HN GLY 59 -13.396 6.913 2.486 470 HA2 GLY 59 HA2 GLY 59 -14.395 5.006 1.683 471 HA3 GLY 59 HA1 GLY 59 -15.905 5.898 1.619 472 H SER 60 HN SER 60 -13.792 7.711 -0.113 473 HA SER 60 HA SER 60 -14.746 6.559 -2.628 474 HB2 SER 60 HB2 SER 60 -14.738 9.156 -1.736 475 HB3 SER 60 HB1 SER 60 -13.302 9.115 -2.759 476 HG SER 60 HG SER 60 -15.091 7.872 -4.142 477 H GLU 61 HN GLU 61 -12.797 5.021 -1.593 478 HA GLU 61 HA GLU 61 -10.208 5.837 -2.587 479 HB2 GLU 61 HB2 GLU 61 -10.398 4.522 -0.519 480 HB3 GLU 61 HB1 GLU 61 -11.121 3.200 -1.424 481 HG2 GLU 61 HG2 GLU 61 -9.124 2.674 -2.492 482 HG3 GLU 61 HG1 GLU 61 -8.410 4.244 -2.128 483 H GLN 62 HN GLN 62 -8.952 4.385 -4.033 484 HA GLN 62 HA GLN 62 -10.682 3.173 -6.089 485 HB2 GLN 62 HB2 GLN 62 -8.293 4.970 -6.381 486 HB3 GLN 62 HB1 GLN 62 -8.739 3.856 -7.666 487 HG2 GLN 62 HG2 GLN 62 -10.678 5.832 -6.513 488 HG3 GLN 62 HG1 GLN 62 -9.598 6.229 -7.847 489 HE21 GLN 62 HE21 GLN 62 -11.693 6.622 -8.914 490 HE22 GLN 62 HE22 GLN 62 -12.476 5.291 -9.690 491 H GLY 63 HN GLY 63 -10.281 1.102 -6.511 492 HA2 GLY 63 HA2 GLY 63 -7.581 0.047 -5.984 493 HA3 GLY 63 HA1 GLY 63 -8.990 -0.778 -5.331 494 H SER 64 HN SER 64 -6.838 -1.423 -7.430 495 HA SER 64 HA SER 64 -8.713 -2.638 -9.303 496 HB2 SER 64 HB2 SER 64 -7.394 -1.938 -11.258 497 HB3 SER 64 HB1 SER 64 -8.034 -0.544 -10.389 498 HG SER 64 HG SER 64 -5.434 -1.558 -9.926 499 H TYR 65 HN TYR 65 -8.309 -4.723 -9.015 500 HA TYR 65 HA TYR 65 -5.508 -5.610 -8.844 501 HB2 TYR 65 HB2 TYR 65 -6.676 -6.301 -6.884 502 HB3 TYR 65 HB1 TYR 65 -8.063 -6.848 -7.820 503 HD1 TYR 65 HD1 TYR 65 -4.451 -7.555 -7.243 504 HD2 TYR 65 HD2 TYR 65 -8.230 -9.080 -8.465 505 HE1 TYR 65 HE1 TYR 65 -3.506 -9.824 -7.312 506 HE2 TYR 65 HE2 TYR 65 -7.294 -11.354 -8.536 507 HH TYR 65 HH TYR 65 -5.242 -12.497 -8.671 508 H ASP 66 HN ASP 66 -4.719 -6.468 -10.640 509 HA ASP 66 HA ASP 66 -6.590 -7.704 -12.546 510 HB2 ASP 66 HB2 ASP 66 -4.676 -5.719 -12.941 511 HB3 ASP 66 HB1 ASP 66 -3.930 -7.175 -13.593 512 H ALA 67 HN ALA 67 -6.357 -9.797 -13.134 513 HA ALA 67 HA ALA 67 -4.453 -11.407 -11.676 514 HB1 ALA 67 HB1 ALA 67 -5.945 -12.826 -13.713 515 HB2 ALA 67 HB2 ALA 67 -6.999 -11.852 -12.688 516 HB3 ALA 67 HB3 ALA 67 -5.929 -13.053 -11.964 517 H ASP 68 HN ASP 68 -5.176 -10.676 -15.070 518 HA ASP 68 HA ASP 68 -3.236 -12.209 -16.305 519 HB2 ASP 68 HB2 ASP 68 -4.664 -9.692 -16.986 520 HB3 ASP 68 HB1 ASP 68 -3.212 -10.049 -17.915 521 H LYS 69 HN LYS 69 -2.969 -8.875 -15.105 522 HA LYS 69 HA LYS 69 -0.107 -8.848 -15.559 523 HB2 LYS 69 HB2 LYS 69 -1.710 -6.834 -15.772 524 HB3 LYS 69 HB1 LYS 69 -1.655 -6.778 -14.015 525 HG2 LYS 69 HG2 LYS 69 0.836 -6.608 -14.185 526 HG3 LYS 69 HG1 LYS 69 0.638 -6.433 -15.929 527 HD2 LYS 69 HD2 LYS 69 0.838 -4.305 -14.479 528 HD3 LYS 69 HD1 LYS 69 -0.405 -4.365 -15.730 529 HE2 LYS 69 HE2 LYS 69 -2.102 -4.842 -14.120 530 HE3 LYS 69 HE1 LYS 69 -0.907 -5.082 -12.847 531 HZ1 LYS 69 HZ1 LYS 69 -0.298 -2.627 -13.465 532 HZ2 LYS 69 HZ2 LYS 69 -1.573 -2.963 -12.405 533 HZ3 LYS 69 HZ3 LYS 69 -1.895 -2.586 -14.023 534 H GLY 70 HN GLY 70 -2.311 -9.688 -13.093 535 HA2 GLY 70 HA2 GLY 70 -2.058 -10.378 -10.924 536 HA3 GLY 70 HA1 GLY 70 -0.444 -10.862 -11.419 537 H ILE 71 HN ILE 71 -2.116 -7.747 -10.825 538 HA ILE 71 HA ILE 71 -0.145 -7.129 -8.774 539 HB ILE 71 HB ILE 71 -0.654 -5.130 -10.966 540 HG12 ILE 71 HG12 ILE 71 1.562 -7.175 -10.754 541 HG13 ILE 71 HG11 ILE 71 0.409 -6.983 -12.070 542 HG21 ILE 71 HG21 ILE 71 0.173 -3.954 -9.184 543 HG22 ILE 71 HG22 ILE 71 1.676 -4.409 -9.987 544 HG23 ILE 71 HG23 ILE 71 1.118 -5.316 -8.581 545 HD11 ILE 71 HD11 ILE 71 1.417 -4.889 -12.702 546 HD12 ILE 71 HD12 ILE 71 2.654 -6.144 -12.614 547 HD13 ILE 71 HD13 ILE 71 2.505 -4.961 -11.315 548 H PHE 72 HN PHE 72 -0.832 -5.536 -7.308 549 HA PHE 72 HA PHE 72 -3.676 -4.809 -7.558 550 HB2 PHE 72 HB2 PHE 72 -3.444 -6.345 -5.750 551 HB3 PHE 72 HB1 PHE 72 -2.036 -5.498 -5.122 552 HD1 PHE 72 HD1 PHE 72 -5.056 -3.775 -6.302 553 HD2 PHE 72 HD2 PHE 72 -2.899 -5.196 -2.920 554 HE1 PHE 72 HE1 PHE 72 -6.520 -2.463 -4.822 555 HE2 PHE 72 HE2 PHE 72 -4.359 -3.886 -1.434 556 HZ PHE 72 HZ PHE 72 -6.173 -2.518 -2.384 557 H THR 73 HN THR 73 -4.059 -2.729 -7.813 558 HA THR 73 HA THR 73 -2.132 -0.780 -6.721 559 HB THR 73 HB THR 73 -3.837 -0.449 -9.198 560 HG1 THR 73 HG1 THR 73 -1.940 -1.902 -9.354 561 HG21 THR 73 HG21 THR 73 -3.009 1.672 -9.429 562 HG22 THR 73 HG22 THR 73 -1.537 1.314 -8.526 563 HG23 THR 73 HG23 THR 73 -3.059 1.560 -7.670 564 H ILE 74 HN ILE 74 -2.923 0.776 -5.416 565 HA ILE 74 HA ILE 74 -5.818 1.252 -5.373 566 HB ILE 74 HB ILE 74 -5.196 -0.463 -3.632 567 HG12 ILE 74 HG12 ILE 74 -6.221 1.316 -1.771 568 HG13 ILE 74 HG11 ILE 74 -6.727 2.004 -3.311 569 HG21 ILE 74 HG21 ILE 74 -3.061 1.098 -3.134 570 HG22 ILE 74 HG22 ILE 74 -3.724 -0.053 -1.973 571 HG23 ILE 74 HG23 ILE 74 -4.153 1.655 -1.867 572 HD11 ILE 74 HD11 ILE 74 -7.785 -0.097 -3.916 573 HD12 ILE 74 HD12 ILE 74 -8.411 0.509 -2.381 574 HD13 ILE 74 HD13 ILE 74 -7.246 -0.816 -2.399 575 H ARG 75 HN ARG 75 -6.150 3.360 -5.570 576 HA ARG 75 HA ARG 75 -4.082 5.251 -4.754 577 HB2 ARG 75 HB2 ARG 75 -6.683 5.972 -6.078 578 HB3 ARG 75 HB1 ARG 75 -5.152 6.837 -6.124 579 HG2 ARG 75 HG2 ARG 75 -4.189 5.034 -7.483 580 HG3 ARG 75 HG1 ARG 75 -5.748 4.207 -7.466 581 HD2 ARG 75 HD2 ARG 75 -5.995 5.315 -9.427 582 HD3 ARG 75 HD1 ARG 75 -6.554 6.592 -8.348 583 HE ARG 75 HE ARG 75 -3.717 6.591 -8.963 584 HH11 ARG 75 HH11 ARG 75 -6.885 7.841 -9.693 585 HH12 ARG 75 HH12 ARG 75 -6.284 9.249 -10.502 586 HH21 ARG 75 HH21 ARG 75 -2.915 8.444 -10.025 587 HH22 ARG 75 HH22 ARG 75 -4.027 9.594 -10.688 588 H LEU 76 HN LEU 76 -4.347 6.806 -3.200 589 HA LEU 76 HA LEU 76 -6.859 6.747 -1.681 590 HB2 LEU 76 HB2 LEU 76 -4.091 6.813 -0.481 591 HB3 LEU 76 HB1 LEU 76 -5.607 6.790 0.393 592 HG LEU 76 HG LEU 76 -5.786 4.517 -1.145 593 HD11 LEU 76 HD11 LEU 76 -2.926 5.010 -0.387 594 HD12 LEU 76 HD12 LEU 76 -3.586 4.465 -1.929 595 HD13 LEU 76 HD13 LEU 76 -3.576 3.377 -0.541 596 HD21 LEU 76 HD21 LEU 76 -5.255 3.352 1.003 597 HD22 LEU 76 HD22 LEU 76 -6.469 4.625 1.138 598 HD23 LEU 76 HD23 LEU 76 -4.817 4.922 1.678 599 HA PRO 77 HA PRO 77 -6.435 11.151 -1.915 600 HB2 PRO 77 HB2 PRO 77 -8.298 11.894 -0.146 601 HB3 PRO 77 HB1 PRO 77 -8.735 11.081 -1.651 602 HG2 PRO 77 HG2 PRO 77 -8.530 9.958 1.112 603 HG3 PRO 77 HG1 PRO 77 -9.740 9.637 -0.143 604 HD2 PRO 77 HD2 PRO 77 -7.580 8.004 0.416 605 HD3 PRO 77 HD1 PRO 77 -8.453 8.031 -1.128 606 H LYS 78 HN LYS 78 -5.448 12.886 -0.862 607 HA LYS 78 HA LYS 78 -3.893 12.178 1.473 608 HB2 LYS 78 HB2 LYS 78 -3.927 14.705 -0.184 609 HB3 LYS 78 HB1 LYS 78 -2.780 14.348 1.100 610 HG2 LYS 78 HG2 LYS 78 -3.099 12.648 -1.358 611 HG3 LYS 78 HG1 LYS 78 -1.938 13.969 -1.221 612 HD2 LYS 78 HD2 LYS 78 -1.105 12.783 0.883 613 HD3 LYS 78 HD1 LYS 78 -2.034 11.392 0.321 614 HE2 LYS 78 HE2 LYS 78 0.082 10.988 -0.544 615 HE3 LYS 78 HE1 LYS 78 -0.766 11.731 -1.900 616 HZ1 LYS 78 HZ1 LYS 78 0.577 13.500 -1.864 617 HZ2 LYS 78 HZ2 LYS 78 1.622 12.532 -0.952 618 HZ3 LYS 78 HZ3 LYS 78 0.577 13.611 -0.176 619 H GLU 79 HN GLU 79 -3.753 13.517 3.353 620 HA GLU 79 HA GLU 79 -6.359 14.508 4.187 621 HB2 GLU 79 HB2 GLU 79 -5.104 12.978 5.659 622 HB3 GLU 79 HB1 GLU 79 -3.795 14.147 5.753 623 HG2 GLU 79 HG2 GLU 79 -5.556 15.756 6.680 624 HG3 GLU 79 HG1 GLU 79 -6.547 14.317 6.915 625 H THR 80 HN THR 80 -3.297 15.665 3.175 626 HA THR 80 HA THR 80 -4.143 18.420 3.767 627 HB THR 80 HB THR 80 -1.308 17.375 3.938 628 HG1 THR 80 HG1 THR 80 -3.271 17.623 5.802 629 HG21 THR 80 HG21 THR 80 -1.980 19.848 3.143 630 HG22 THR 80 HG22 THR 80 -0.547 19.502 4.112 631 HG23 THR 80 HG23 THR 80 -2.020 20.080 4.891 632 HA PRO 81 HA PRO 81 -3.642 18.774 -0.638 633 HB2 PRO 81 HB2 PRO 81 -3.997 21.460 -0.805 634 HB3 PRO 81 HB1 PRO 81 -5.331 20.330 -0.550 635 HG2 PRO 81 HG2 PRO 81 -3.858 22.002 1.449 636 HG3 PRO 81 HG1 PRO 81 -5.600 21.707 1.306 637 HD2 PRO 81 HD2 PRO 81 -4.050 20.405 3.100 638 HD3 PRO 81 HD1 PRO 81 -5.466 19.651 2.341 639 H GLY 82 HN GLY 82 -1.877 18.945 -1.868 640 HA2 GLY 82 HA2 GLY 82 0.082 19.862 -2.719 641 HA3 GLY 82 HA1 GLY 82 0.071 21.036 -1.416 642 H GLN 83 HN GLN 83 -0.353 18.031 -0.063 643 HA GLN 83 HA GLN 83 2.359 18.016 0.923 644 HB2 GLN 83 HB2 GLN 83 -0.033 17.280 2.019 645 HB3 GLN 83 HB1 GLN 83 0.647 15.718 1.584 646 HG2 GLN 83 HG2 GLN 83 1.146 16.478 3.903 647 HG3 GLN 83 HG1 GLN 83 2.562 16.076 2.931 648 HE21 GLN 83 HE21 GLN 83 0.778 19.008 2.430 649 HE22 GLN 83 HE22 GLN 83 1.968 20.086 3.064 650 H HIS 84 HN HIS 84 3.991 16.809 0.214 651 HA HIS 84 HA HIS 84 3.382 14.576 -1.610 652 HB2 HIS 84 HB2 HIS 84 4.545 16.867 -2.420 653 HB3 HIS 84 HB1 HIS 84 5.977 15.983 -1.906 654 HD1 HIS 84 HD1 HIS 84 7.030 14.842 -3.813 655 HD2 HIS 84 HD2 HIS 84 2.894 14.937 -4.183 656 HE1 HIS 84 HE1 HIS 84 6.522 13.663 -5.976 657 HE2 HIS 84 HE2 HIS 84 4.016 13.790 -6.212 658 H PHE 85 HN PHE 85 3.996 12.680 -0.785 659 HA PHE 85 HA PHE 85 5.805 12.528 1.440 660 HB2 PHE 85 HB2 PHE 85 4.632 10.273 -0.199 661 HB3 PHE 85 HB1 PHE 85 5.335 10.156 1.405 662 HD1 PHE 85 HD2 PHE 85 3.658 13.111 1.604 663 HD2 PHE 85 HD1 PHE 85 2.863 8.945 1.233 664 HE1 PHE 85 HE2 PHE 85 1.433 13.450 2.593 665 HE2 PHE 85 HE1 PHE 85 0.637 9.278 2.224 666 HZ PHE 85 HZ PHE 85 -0.081 11.533 2.906 667 H GLU 86 HN GLU 86 7.798 13.253 0.666 668 HA GLU 86 HA GLU 86 8.999 12.270 -1.704 669 HB2 GLU 86 HB2 GLU 86 10.099 13.749 0.678 670 HB3 GLU 86 HB1 GLU 86 11.075 13.324 -0.718 671 HG2 GLU 86 HG2 GLU 86 10.426 15.199 -1.689 672 HG3 GLU 86 HG1 GLU 86 8.781 14.566 -1.734 673 H GLY 87 HN GLY 87 11.249 11.325 -1.629 674 HA2 GLY 87 HA2 GLY 87 12.281 9.243 -1.455 675 HA3 GLY 87 HA1 GLY 87 12.510 9.849 0.175 676 H LEU 88 HN LEU 88 9.528 8.693 -1.400 677 HA LEU 88 HA LEU 88 8.718 7.215 0.854 678 HB2 LEU 88 HB2 LEU 88 7.732 7.760 -1.777 679 HB3 LEU 88 HB1 LEU 88 7.542 6.051 -1.437 680 HG LEU 88 HG LEU 88 6.404 8.360 0.132 681 HD11 LEU 88 HD11 LEU 88 4.630 6.221 -0.695 682 HD12 LEU 88 HD12 LEU 88 5.427 6.997 -2.063 683 HD13 LEU 88 HD13 LEU 88 4.487 7.963 -0.927 684 HD21 LEU 88 HD21 LEU 88 5.339 6.467 1.475 685 HD22 LEU 88 HD22 LEU 88 7.029 6.844 1.802 686 HD23 LEU 88 HD23 LEU 88 6.615 5.446 0.812 687 H ASN 89 HN ASN 89 9.830 5.886 -2.324 688 HA ASN 89 HA ASN 89 10.349 3.344 -1.060 689 HB2 ASN 89 HB2 ASN 89 9.430 3.258 -3.272 690 HB3 ASN 89 HB1 ASN 89 10.663 4.351 -3.892 691 HD21 ASN 89 HD21 ASN 89 10.569 1.314 -2.049 692 HD22 ASN 89 HD22 ASN 89 11.760 0.504 -3.003 693 H MET 90 HN MET 90 11.924 5.990 -0.654 694 HA MET 90 HA MET 90 14.594 4.819 -1.035 695 HB2 MET 90 HB2 MET 90 15.419 6.803 -1.730 696 HB3 MET 90 HB1 MET 90 13.743 7.193 -2.074 697 HG2 MET 90 HG2 MET 90 14.417 9.043 -0.906 698 HG3 MET 90 HG1 MET 90 13.721 8.057 0.379 699 HE1 MET 90 HE1 MET 90 16.315 10.429 -0.231 700 HE2 MET 90 HE2 MET 90 17.240 10.161 1.247 701 HE3 MET 90 HE3 MET 90 15.490 10.363 1.327 702 H LEU 91 HN LEU 91 12.304 6.264 1.116 703 HA LEU 91 HA LEU 91 13.706 7.011 3.311 704 HB2 LEU 91 HB2 LEU 91 11.724 6.934 4.404 705 HB3 LEU 91 HB1 LEU 91 11.109 6.685 2.779 706 HG LEU 91 HG LEU 91 11.467 4.656 4.964 707 HD11 LEU 91 HD11 LEU 91 9.175 5.745 3.379 708 HD12 LEU 91 HD12 LEU 91 9.368 5.639 5.129 709 HD13 LEU 91 HD13 LEU 91 9.068 4.180 4.185 710 HD21 LEU 91 HD21 LEU 91 11.898 4.226 2.182 711 HD22 LEU 91 HD22 LEU 91 10.398 3.431 2.656 712 HD23 LEU 91 HD23 LEU 91 11.900 3.052 3.498 713 H THR 92 HN THR 92 13.631 5.630 5.503 714 HA THR 92 HA THR 92 14.511 2.890 5.045 715 HB THR 92 HB THR 92 16.258 4.983 6.351 716 HG1 THR 92 HG1 THR 92 16.612 4.945 4.148 717 HG21 THR 92 HG21 THR 92 16.322 2.926 7.651 718 HG22 THR 92 HG22 THR 92 17.838 3.154 6.779 719 HG23 THR 92 HG23 THR 92 16.646 1.995 6.189 720 H ALA 93 HN ALA 93 14.665 1.648 7.038 721 HA ALA 93 HA ALA 93 12.885 2.734 9.104 722 HB1 ALA 93 HB1 ALA 93 12.611 0.415 7.762 723 HB2 ALA 93 HB2 ALA 93 12.003 0.676 9.397 724 HB3 ALA 93 HB3 ALA 93 13.547 -0.140 9.150 725 H LEU 94 HN LEU 94 13.629 3.121 11.101 726 HA LEU 94 HA LEU 94 16.424 2.738 11.642 727 HB2 LEU 94 HB2 LEU 94 14.190 4.248 12.813 728 HB3 LEU 94 HB1 LEU 94 15.373 3.665 13.974 729 HG LEU 94 HG LEU 94 16.758 4.781 11.765 730 HD11 LEU 94 HD11 LEU 94 14.587 6.529 12.901 731 HD12 LEU 94 HD12 LEU 94 14.849 6.096 11.211 732 HD13 LEU 94 HD13 LEU 94 15.997 7.147 12.040 733 HD21 LEU 94 HD21 LEU 94 17.381 6.444 13.675 734 HD22 LEU 94 HD22 LEU 94 17.884 4.756 13.774 735 HD23 LEU 94 HD23 LEU 94 16.483 5.313 14.687 736 H LEU 95 HN LEU 95 17.356 1.374 13.085 737 HA LEU 95 HA LEU 95 15.653 -0.787 14.039 738 HB2 LEU 95 HB2 LEU 95 18.508 -0.528 13.316 739 HB3 LEU 95 HB1 LEU 95 18.139 -1.640 14.621 740 HG LEU 95 HG LEU 95 16.482 -2.747 13.063 741 HD11 LEU 95 HD11 LEU 95 16.726 -2.371 10.690 742 HD12 LEU 95 HD12 LEU 95 17.952 -1.138 10.983 743 HD13 LEU 95 HD13 LEU 95 16.286 -0.863 11.490 744 HD21 LEU 95 HD21 LEU 95 18.649 -3.729 13.557 745 HD22 LEU 95 HD22 LEU 95 19.397 -2.757 12.288 746 HD23 LEU 95 HD23 LEU 95 18.216 -3.999 11.869 747 H ALA 96 HN ALA 96 14.881 -0.593 16.019 748 HA ALA 96 HA ALA 96 16.440 -0.477 18.315 749 HB1 ALA 96 HB1 ALA 96 15.188 2.016 18.715 750 HB2 ALA 96 HB2 ALA 96 16.036 2.111 17.171 751 HB3 ALA 96 HB3 ALA 96 16.914 1.666 18.634 Start of MODEL 17 1 H MET 1 H MET 1 8.081 -19.522 -1.592 2 HA MET 1 HA MET 1 7.455 -17.351 -1.077 3 HB2 MET 1 HB2 MET 1 7.912 -18.942 0.769 4 HB3 MET 1 HB1 MET 1 9.556 -18.329 0.869 5 HG2 MET 1 HG2 MET 1 8.871 -16.276 1.722 6 HG3 MET 1 HG1 MET 1 7.208 -16.502 1.183 7 HE1 MET 1 HE1 MET 1 9.108 -16.566 4.739 8 HE2 MET 1 HE2 MET 1 9.985 -17.294 3.394 9 HE3 MET 1 HE3 MET 1 9.383 -18.308 4.705 10 H LEU 2 HN LEU 2 8.882 -16.445 -3.023 11 HA LEU 2 HA LEU 2 11.169 -14.924 -2.100 12 HB2 LEU 2 HB2 LEU 2 9.818 -14.851 -4.796 13 HB3 LEU 2 HB1 LEU 2 11.408 -14.229 -4.399 14 HG LEU 2 HG LEU 2 10.765 -17.147 -4.102 15 HD11 LEU 2 HD11 LEU 2 11.407 -15.612 -6.580 16 HD12 LEU 2 HD12 LEU 2 10.276 -16.945 -6.343 17 HD13 LEU 2 HD13 LEU 2 12.011 -17.257 -6.382 18 HD21 LEU 2 HD21 LEU 2 12.793 -16.227 -3.029 19 HD22 LEU 2 HD22 LEU 2 13.354 -15.689 -4.612 20 HD23 LEU 2 HD23 LEU 2 13.154 -17.411 -4.285 21 H THR 3 HN THR 3 11.285 -12.700 -1.936 22 HA THR 3 HA THR 3 8.854 -11.377 -1.220 23 HB THR 3 HB THR 3 11.213 -9.670 -1.595 24 HG1 THR 3 HG1 THR 3 11.352 -12.051 -0.093 25 HG21 THR 3 HG21 THR 3 9.738 -8.629 -0.231 26 HG22 THR 3 HG22 THR 3 10.594 -9.538 1.015 27 HG23 THR 3 HG23 THR 3 9.063 -10.142 0.377 28 HA PRO 4 HA PRO 4 7.812 -9.872 -5.286 29 HB2 PRO 4 HB2 PRO 4 5.995 -8.002 -4.413 30 HB3 PRO 4 HB1 PRO 4 5.630 -9.715 -4.626 31 HG2 PRO 4 HG2 PRO 4 6.308 -8.218 -2.130 32 HG3 PRO 4 HG1 PRO 4 5.101 -9.493 -2.381 33 HD2 PRO 4 HD2 PRO 4 7.470 -9.998 -1.216 34 HD3 PRO 4 HD1 PRO 4 6.678 -11.183 -2.274 35 H ALA 5 HN ALA 5 7.610 -7.693 -6.353 36 HA ALA 5 HA ALA 5 9.870 -6.061 -5.576 37 HB1 ALA 5 HB1 ALA 5 9.502 -4.884 -7.683 38 HB2 ALA 5 HB2 ALA 5 8.004 -5.781 -7.932 39 HB3 ALA 5 HB3 ALA 5 9.549 -6.629 -7.935 40 H PHE 6 HN PHE 6 6.521 -5.270 -6.519 41 HA PHE 6 HA PHE 6 5.126 -3.613 -5.916 42 HB2 PHE 6 HB2 PHE 6 4.517 -3.821 -3.774 43 HB3 PHE 6 HB1 PHE 6 5.733 -5.079 -3.721 44 HD1 PHE 6 HD2 PHE 6 5.330 -1.414 -3.161 45 HD2 PHE 6 HD1 PHE 6 7.406 -4.991 -2.149 46 HE1 PHE 6 HE2 PHE 6 6.512 -0.216 -1.366 47 HE2 PHE 6 HE1 PHE 6 8.591 -3.797 -0.351 48 HZ PHE 6 HZ PHE 6 8.144 -1.407 0.042 49 H ASP 7 HN ASP 7 4.907 -1.388 -5.535 50 HA ASP 7 HA ASP 7 7.238 0.186 -4.863 51 HB2 ASP 7 HB2 ASP 7 6.929 -0.452 -7.518 52 HB3 ASP 7 HB1 ASP 7 6.093 1.093 -7.412 53 H LEU 8 HN LEU 8 6.729 2.476 -4.642 54 HA LEU 8 HA LEU 8 3.846 2.911 -4.245 55 HB2 LEU 8 HB2 LEU 8 5.768 4.535 -2.689 56 HB3 LEU 8 HB1 LEU 8 4.192 3.921 -2.236 57 HG LEU 8 HG LEU 8 6.181 1.804 -2.550 58 HD11 LEU 8 HD11 LEU 8 6.648 4.027 -0.582 59 HD12 LEU 8 HD12 LEU 8 7.781 3.335 -1.743 60 HD13 LEU 8 HD13 LEU 8 7.266 2.393 -0.344 61 HD21 LEU 8 HD21 LEU 8 5.291 1.311 -0.222 62 HD22 LEU 8 HD22 LEU 8 4.126 1.262 -1.545 63 HD23 LEU 8 HD23 LEU 8 4.186 2.662 -0.474 64 H SER 9 HN SER 9 2.940 4.694 -5.037 65 HA SER 9 HA SER 9 4.611 6.848 -6.101 66 HB2 SER 9 HB2 SER 9 4.068 6.486 -8.261 67 HB3 SER 9 HB1 SER 9 3.425 4.922 -7.760 68 HG SER 9 HG SER 9 1.423 5.712 -7.784 69 H GLN 10 HN GLN 10 3.747 8.843 -5.660 70 HA GLN 10 HA GLN 10 0.953 8.861 -4.747 71 HB2 GLN 10 HB2 GLN 10 1.458 9.986 -2.805 72 HB3 GLN 10 HB1 GLN 10 2.848 8.926 -2.963 73 HG2 GLN 10 HG2 GLN 10 2.862 11.754 -3.972 74 HG3 GLN 10 HG1 GLN 10 3.298 11.331 -2.319 75 HE21 GLN 10 HE21 GLN 10 5.354 10.936 -1.946 76 HE22 GLN 10 HE22 GLN 10 6.536 10.496 -3.126 77 H ASP 11 HN ASP 11 -0.270 10.594 -5.155 78 HA ASP 11 HA ASP 11 0.788 12.571 -7.049 79 HB2 ASP 11 HB2 ASP 11 -1.833 11.250 -6.663 80 HB3 ASP 11 HB1 ASP 11 -1.905 12.960 -7.074 81 HA PRO 12 HA PRO 12 0.422 15.874 -4.169 82 HB2 PRO 12 HB2 PRO 12 -0.797 17.844 -5.621 83 HB3 PRO 12 HB1 PRO 12 0.903 17.397 -5.798 84 HG2 PRO 12 HG2 PRO 12 -1.449 16.607 -7.469 85 HG3 PRO 12 HG1 PRO 12 0.187 17.064 -7.979 86 HD2 PRO 12 HD2 PRO 12 -0.624 14.491 -7.873 87 HD3 PRO 12 HD1 PRO 12 1.051 14.971 -7.526 88 H ASP 13 HN ASP 13 -2.326 14.287 -5.269 89 HA ASP 13 HA ASP 13 -3.946 15.571 -3.194 90 HB2 ASP 13 HB2 ASP 13 -4.888 14.903 -5.988 91 HB3 ASP 13 HB1 ASP 13 -5.944 15.376 -4.663 92 H PHE 14 HN PHE 14 -2.421 12.941 -3.890 93 HA PHE 14 HA PHE 14 -4.086 11.206 -2.378 94 HB2 PHE 14 HB2 PHE 14 -3.823 10.469 -5.302 95 HB3 PHE 14 HB1 PHE 14 -4.597 9.511 -4.051 96 HD1 PHE 14 HD2 PHE 14 -4.902 12.412 -6.239 97 HD2 PHE 14 HD1 PHE 14 -6.792 10.072 -3.229 98 HE1 PHE 14 HE2 PHE 14 -7.050 13.494 -6.755 99 HE2 PHE 14 HE1 PHE 14 -8.946 11.150 -3.739 100 HZ PHE 14 HZ PHE 14 -9.075 12.865 -5.503 101 H LEU 15 HN LEU 15 -3.242 8.912 -2.410 102 HA LEU 15 HA LEU 15 -0.384 8.761 -3.075 103 HB2 LEU 15 HB2 LEU 15 -0.359 9.245 -0.734 104 HB3 LEU 15 HB1 LEU 15 -1.665 8.123 -0.420 105 HG LEU 15 HG LEU 15 0.696 7.423 0.271 106 HD11 LEU 15 HD11 LEU 15 -1.413 5.972 -0.094 107 HD12 LEU 15 HD12 LEU 15 0.161 5.185 0.035 108 HD13 LEU 15 HD13 LEU 15 -0.579 5.423 -1.548 109 HD21 LEU 15 HD21 LEU 15 2.180 7.737 -1.402 110 HD22 LEU 15 HD22 LEU 15 0.967 7.543 -2.665 111 HD23 LEU 15 HD23 LEU 15 1.651 6.124 -1.876 112 H THR 16 HN THR 16 -0.180 7.041 -4.472 113 HA THR 16 HA THR 16 -2.110 4.859 -4.175 114 HB THR 16 HB THR 16 -0.477 5.771 -6.548 115 HG1 THR 16 HG1 THR 16 -2.437 6.330 -7.401 116 HG21 THR 16 HG21 THR 16 -1.380 3.153 -5.961 117 HG22 THR 16 HG22 THR 16 -0.659 3.753 -7.455 118 HG23 THR 16 HG23 THR 16 -2.409 3.797 -7.242 119 H ILE 17 HN ILE 17 -1.451 2.883 -3.696 120 HA ILE 17 HA ILE 17 1.437 2.383 -3.452 121 HB ILE 17 HB ILE 17 -0.647 0.672 -2.142 122 HG12 ILE 17 HG12 ILE 17 0.414 3.309 -1.092 123 HG13 ILE 17 HG11 ILE 17 -1.253 2.972 -1.549 124 HG21 ILE 17 HG21 ILE 17 2.212 1.407 -1.541 125 HG22 ILE 17 HG22 ILE 17 1.578 -0.167 -2.021 126 HG23 ILE 17 HG23 ILE 17 1.188 0.494 -0.433 127 HD11 ILE 17 HD11 ILE 17 -0.609 1.028 0.337 128 HD12 ILE 17 HD12 ILE 17 -1.630 2.450 0.562 129 HD13 ILE 17 HD13 ILE 17 0.089 2.529 0.947 130 H ALA 18 HN ALA 18 2.228 0.245 -4.055 131 HA ALA 18 HA ALA 18 0.458 -1.216 -5.883 132 HB1 ALA 18 HB1 ALA 18 1.962 -1.219 -7.675 133 HB2 ALA 18 HB2 ALA 18 3.285 -0.605 -6.682 134 HB3 ALA 18 HB3 ALA 18 1.938 0.451 -7.110 135 H ILE 19 HN ILE 19 0.397 -3.258 -5.309 136 HA ILE 19 HA ILE 19 2.831 -4.515 -4.214 137 HB ILE 19 HB ILE 19 -0.009 -5.279 -3.528 138 HG12 ILE 19 HG12 ILE 19 1.982 -3.754 -1.835 139 HG13 ILE 19 HG11 ILE 19 0.612 -3.024 -2.665 140 HG21 ILE 19 HG21 ILE 19 0.885 -7.112 -2.662 141 HG22 ILE 19 HG22 ILE 19 1.900 -6.125 -1.610 142 HG23 ILE 19 HG23 ILE 19 2.482 -6.600 -3.205 143 HD11 ILE 19 HD11 ILE 19 -0.763 -4.786 -1.319 144 HD12 ILE 19 HD12 ILE 19 -0.226 -3.289 -0.556 145 HD13 ILE 19 HD13 ILE 19 0.658 -4.790 -0.274 146 H ARG 20 HN ARG 20 3.566 -6.231 -5.331 147 HA ARG 20 HA ARG 20 1.809 -7.351 -7.407 148 HB2 ARG 20 HB2 ARG 20 3.754 -6.372 -8.373 149 HB3 ARG 20 HB1 ARG 20 4.810 -7.154 -7.206 150 HG2 ARG 20 HG2 ARG 20 4.353 -9.316 -8.188 151 HG3 ARG 20 HG1 ARG 20 3.197 -8.589 -9.305 152 HD2 ARG 20 HD2 ARG 20 4.871 -7.494 -10.510 153 HD3 ARG 20 HD1 ARG 20 6.047 -7.662 -9.207 154 HE ARG 20 HE ARG 20 6.548 -9.778 -9.963 155 HH11 ARG 20 HH11 ARG 20 3.697 -8.591 -11.572 156 HH12 ARG 20 HH12 ARG 20 3.658 -9.876 -12.733 157 HH21 ARG 20 HH21 ARG 20 6.506 -11.478 -11.490 158 HH22 ARG 20 HH22 ARG 20 5.254 -11.515 -12.686 159 H VAL 21 HN VAL 21 1.016 -9.293 -7.084 160 HA VAL 21 HA VAL 21 2.644 -11.386 -5.889 161 HB VAL 21 HB VAL 21 1.094 -12.014 -4.187 162 HG11 VAL 21 HG11 VAL 21 1.462 -9.026 -4.025 163 HG12 VAL 21 HG12 VAL 21 2.706 -10.217 -3.650 164 HG13 VAL 21 HG13 VAL 21 1.238 -10.140 -2.676 165 HG21 VAL 21 HG21 VAL 21 -0.799 -9.991 -3.998 166 HG22 VAL 21 HG22 VAL 21 -1.074 -11.646 -4.540 167 HG23 VAL 21 HG23 VAL 21 -0.736 -10.377 -5.717 168 H SER 22 HN SER 22 2.103 -13.423 -6.548 169 HA SER 22 HA SER 22 -0.181 -13.652 -8.393 170 HB2 SER 22 HB2 SER 22 2.646 -14.583 -8.596 171 HB3 SER 22 HB1 SER 22 1.391 -15.607 -9.287 172 HG SER 22 HG SER 22 2.234 -13.055 -10.042 173 H TYR 23 HN TYR 23 1.748 -15.171 -5.900 174 HA TYR 23 HA TYR 23 0.428 -17.664 -5.828 175 HB2 TYR 23 HB2 TYR 23 2.190 -16.157 -3.931 176 HB3 TYR 23 HB1 TYR 23 1.386 -17.630 -3.395 177 HD1 TYR 23 HD1 TYR 23 3.260 -16.497 -6.428 178 HD2 TYR 23 HD2 TYR 23 2.685 -19.523 -3.497 179 HE1 TYR 23 HE1 TYR 23 5.036 -17.834 -7.473 180 HE2 TYR 23 HE2 TYR 23 4.462 -20.873 -4.532 181 HH TYR 23 HH TYR 23 6.387 -19.628 -7.218 182 H ALA 24 HN ALA 24 -0.682 -14.635 -5.035 183 HA ALA 24 HA ALA 24 -2.049 -14.414 -2.828 184 HB1 ALA 24 HB1 ALA 24 -2.897 -12.825 -4.153 185 HB2 ALA 24 HB2 ALA 24 -4.186 -13.988 -4.466 186 HB3 ALA 24 HB3 ALA 24 -2.831 -13.850 -5.587 187 H ARG 25 HN ARG 25 -2.234 -16.394 -1.783 188 HA ARG 25 HA ARG 25 -3.886 -18.513 -2.715 189 HB2 ARG 25 HB2 ARG 25 -2.016 -18.240 -0.730 190 HB3 ARG 25 HB1 ARG 25 -3.512 -18.311 0.192 191 HG2 ARG 25 HG2 ARG 25 -3.530 -20.335 -1.827 192 HG3 ARG 25 HG1 ARG 25 -2.043 -20.440 -0.884 193 HD2 ARG 25 HD2 ARG 25 -3.918 -20.029 1.057 194 HD3 ARG 25 HD1 ARG 25 -4.814 -21.000 -0.107 195 HE ARG 25 HE ARG 25 -2.477 -21.823 1.433 196 HH11 ARG 25 HH11 ARG 25 -4.830 -22.590 -1.030 197 HH12 ARG 25 HH12 ARG 25 -4.540 -24.295 -0.952 198 HH21 ARG 25 HH21 ARG 25 -2.092 -24.062 1.533 199 HH22 ARG 25 HH22 ARG 25 -2.979 -25.130 0.499 200 H VAL 26 HN VAL 26 -4.366 -16.581 0.231 201 HA VAL 26 HA VAL 26 -6.973 -17.125 0.737 202 HB VAL 26 HB VAL 26 -7.148 -15.049 1.926 203 HG11 VAL 26 HG11 VAL 26 -5.490 -16.862 2.653 204 HG12 VAL 26 HG12 VAL 26 -5.338 -15.268 3.392 205 HG13 VAL 26 HG13 VAL 26 -4.236 -15.752 2.102 206 HG21 VAL 26 HG21 VAL 26 -5.394 -13.290 1.668 207 HG22 VAL 26 HG22 VAL 26 -6.436 -13.487 0.258 208 HG23 VAL 26 HG23 VAL 26 -4.806 -14.160 0.250 209 H SER 27 HN SER 27 -8.935 -16.611 -0.041 210 HA SER 27 HA SER 27 -9.267 -15.752 -2.670 211 HB2 SER 27 HB2 SER 27 -11.643 -15.723 -2.208 212 HB3 SER 27 HB1 SER 27 -10.918 -17.093 -1.367 213 HG SER 27 HG SER 27 -12.149 -14.856 -0.357 214 H GLU 28 HN GLU 28 -9.500 -13.937 0.362 215 HA GLU 28 HA GLU 28 -9.508 -11.465 -1.234 216 HB2 GLU 28 HB2 GLU 28 -11.752 -11.879 -0.290 217 HB3 GLU 28 HB1 GLU 28 -11.053 -11.915 1.323 218 HG2 GLU 28 HG2 GLU 28 -11.595 -9.757 1.391 219 HG3 GLU 28 HG1 GLU 28 -10.156 -9.521 0.399 220 H PHE 29 HN PHE 29 -8.392 -9.708 -0.387 221 HA PHE 29 HA PHE 29 -6.441 -10.403 1.695 222 HB2 PHE 29 HB2 PHE 29 -6.067 -7.934 0.107 223 HB3 PHE 29 HB1 PHE 29 -4.894 -9.161 0.578 224 HD1 PHE 29 HD2 PHE 29 -6.150 -11.586 -0.539 225 HD2 PHE 29 HD1 PHE 29 -5.724 -7.683 -2.180 226 HE1 PHE 29 HE2 PHE 29 -6.230 -12.536 -2.807 227 HE2 PHE 29 HE1 PHE 29 -5.805 -8.626 -4.452 228 HZ PHE 29 HZ PHE 29 -6.058 -11.055 -4.767 229 H ASP 30 HN ASP 30 -5.699 -8.507 3.065 230 HA ASP 30 HA ASP 30 -8.040 -6.889 3.835 231 HB2 ASP 30 HB2 ASP 30 -5.839 -7.948 5.619 232 HB3 ASP 30 HB1 ASP 30 -7.195 -6.956 6.143 233 H VAL 31 HN VAL 31 -7.819 -4.781 3.566 234 HA VAL 31 HA VAL 31 -5.118 -3.609 3.723 235 HB VAL 31 HB VAL 31 -7.333 -2.515 1.995 236 HG11 VAL 31 HG11 VAL 31 -4.372 -2.044 1.780 237 HG12 VAL 31 HG12 VAL 31 -5.415 -1.058 2.806 238 HG13 VAL 31 HG13 VAL 31 -5.688 -1.113 1.064 239 HG21 VAL 31 HG21 VAL 31 -6.884 -4.625 1.033 240 HG22 VAL 31 HG22 VAL 31 -5.150 -4.466 1.306 241 HG23 VAL 31 HG23 VAL 31 -5.946 -3.465 0.092 242 H TYR 32 HN TYR 32 -4.919 -2.266 5.379 243 HA TYR 32 HA TYR 32 -7.270 -0.700 6.210 244 HB2 TYR 32 HB2 TYR 32 -5.177 -1.835 8.076 245 HB3 TYR 32 HB1 TYR 32 -6.635 -0.956 8.531 246 HD1 TYR 32 HD1 TYR 32 -8.879 -2.016 8.088 247 HD2 TYR 32 HD2 TYR 32 -5.229 -4.170 7.721 248 HE1 TYR 32 HE1 TYR 32 -10.123 -4.134 8.208 249 HE2 TYR 32 HE2 TYR 32 -6.464 -6.293 7.842 250 HH TYR 32 HH TYR 32 -9.481 -6.610 8.954 251 H PHE 33 HN PHE 33 -6.942 1.394 5.992 252 HA PHE 33 HA PHE 33 -4.205 2.433 6.277 253 HB2 PHE 33 HB2 PHE 33 -4.588 4.009 4.541 254 HB3 PHE 33 HB1 PHE 33 -5.149 2.457 3.928 255 HD1 PHE 33 HD1 PHE 33 -7.518 2.013 3.641 256 HD2 PHE 33 HD2 PHE 33 -6.124 5.804 4.976 257 HE1 PHE 33 HE1 PHE 33 -9.712 2.992 3.126 258 HE2 PHE 33 HE2 PHE 33 -8.315 6.794 4.466 259 HZ PHE 33 HZ PHE 33 -10.116 5.389 3.540 260 H GLU 34 HN GLU 34 -4.034 3.582 8.086 261 HA GLU 34 HA GLU 34 -6.138 5.504 8.733 262 HB2 GLU 34 HB2 GLU 34 -5.747 3.094 10.178 263 HB3 GLU 34 HB1 GLU 34 -5.200 4.417 11.200 264 HG2 GLU 34 HG2 GLU 34 -7.305 4.802 11.745 265 HG3 GLU 34 HG1 GLU 34 -7.614 5.272 10.075 266 H GLY 35 HN GLY 35 -5.225 7.427 8.890 267 HA2 GLY 35 HA2 GLY 35 -3.581 9.035 9.105 268 HA3 GLY 35 HA1 GLY 35 -3.375 8.280 10.678 269 H SER 36 HN SER 36 -2.442 7.766 7.279 270 HA SER 36 HA SER 36 -0.452 7.224 6.321 271 HB2 SER 36 HB2 SER 36 1.263 7.576 8.663 272 HB3 SER 36 HB1 SER 36 1.310 8.388 7.099 273 HG SER 36 HG SER 36 0.774 9.688 9.051 274 H ASP 37 HN ASP 37 -1.952 5.423 8.453 275 HA ASP 37 HA ASP 37 0.190 3.440 8.785 276 HB2 ASP 37 HB2 ASP 37 -1.292 4.228 10.742 277 HB3 ASP 37 HB1 ASP 37 -2.561 3.258 10.001 278 H PHE 38 HN PHE 38 0.324 2.242 6.979 279 HA PHE 38 HA PHE 38 -2.176 1.186 5.832 280 HB2 PHE 38 HB2 PHE 38 -0.937 2.466 4.204 281 HB3 PHE 38 HB1 PHE 38 0.539 1.572 4.559 282 HD1 PHE 38 HD1 PHE 38 0.644 -0.875 3.972 283 HD2 PHE 38 HD2 PHE 38 -2.481 1.683 2.626 284 HE1 PHE 38 HE1 PHE 38 0.078 -2.498 2.213 285 HE2 PHE 38 HE2 PHE 38 -3.054 0.064 0.866 286 HZ PHE 38 HZ PHE 38 -1.773 -2.031 0.657 287 H LYS 39 HN LYS 39 -2.620 -0.868 6.200 288 HA LYS 39 HA LYS 39 -0.387 -2.739 6.623 289 HB2 LYS 39 HB2 LYS 39 -3.073 -2.954 7.981 290 HB3 LYS 39 HB1 LYS 39 -1.617 -3.880 8.321 291 HG2 LYS 39 HG2 LYS 39 -0.546 -2.022 9.308 292 HG3 LYS 39 HG1 LYS 39 -1.766 -0.904 8.695 293 HD2 LYS 39 HD2 LYS 39 -3.142 -1.295 10.418 294 HD3 LYS 39 HD1 LYS 39 -2.883 -3.039 10.338 295 HE2 LYS 39 HE2 LYS 39 -1.393 -2.990 12.000 296 HE3 LYS 39 HE1 LYS 39 -0.540 -1.617 11.294 297 HZ1 LYS 39 HZ1 LYS 39 -3.048 -0.826 12.370 298 HZ2 LYS 39 HZ2 LYS 39 -1.500 -0.249 12.732 299 HZ3 LYS 39 HZ3 LYS 39 -2.111 -1.599 13.548 300 H PHE 40 HN PHE 40 -0.353 -4.407 5.290 301 HA PHE 40 HA PHE 40 -2.825 -5.126 3.856 302 HB2 PHE 40 HB2 PHE 40 -1.256 -3.998 2.359 303 HB3 PHE 40 HB1 PHE 40 0.015 -5.125 2.812 304 HD1 PHE 40 HD1 PHE 40 -3.493 -5.279 1.546 305 HD2 PHE 40 HD2 PHE 40 0.483 -6.771 1.298 306 HE1 PHE 40 HE1 PHE 40 -4.172 -6.766 -0.292 307 HE2 PHE 40 HE2 PHE 40 -0.188 -8.261 -0.541 308 HZ PHE 40 HZ PHE 40 -2.517 -8.260 -1.339 309 H TYR 41 HN TYR 41 -3.508 -7.050 4.555 310 HA TYR 41 HA TYR 41 -1.477 -9.092 5.176 311 HB2 TYR 41 HB2 TYR 41 -4.302 -9.132 6.218 312 HB3 TYR 41 HB1 TYR 41 -2.906 -10.024 6.809 313 HD1 TYR 41 HD1 TYR 41 -0.971 -8.597 7.808 314 HD2 TYR 41 HD2 TYR 41 -4.939 -7.168 7.264 315 HE1 TYR 41 HE1 TYR 41 -0.565 -6.848 9.488 316 HE2 TYR 41 HE2 TYR 41 -4.545 -5.414 8.940 317 HH TYR 41 HH TYR 41 -1.789 -5.409 10.977 318 H ALA 42 HN ALA 42 -1.280 -10.241 3.363 319 HA ALA 42 HA ALA 42 -3.700 -11.544 2.322 320 HB1 ALA 42 HB1 ALA 42 -1.396 -10.784 0.541 321 HB2 ALA 42 HB2 ALA 42 -2.780 -9.719 0.790 322 HB3 ALA 42 HB3 ALA 42 -3.013 -11.315 0.079 323 H LYS 43 HN LYS 43 -3.540 -13.667 2.653 324 HA LYS 43 HA LYS 43 -2.591 -15.637 3.332 325 HB2 LYS 43 HB2 LYS 43 -1.470 -16.709 1.549 326 HB3 LYS 43 HB1 LYS 43 -2.490 -15.510 0.789 327 HG2 LYS 43 HG2 LYS 43 0.015 -14.293 1.273 328 HG3 LYS 43 HG1 LYS 43 0.306 -15.863 0.530 329 HD2 LYS 43 HD2 LYS 43 -0.148 -14.891 -1.424 330 HD3 LYS 43 HD1 LYS 43 -1.830 -14.842 -0.896 331 HE2 LYS 43 HE2 LYS 43 -1.762 -12.625 -0.410 332 HE3 LYS 43 HE1 LYS 43 -0.056 -12.661 0.030 333 HZ1 LYS 43 HZ1 LYS 43 -0.987 -11.615 -2.239 334 HZ2 LYS 43 HZ2 LYS 43 -0.629 -13.182 -2.761 335 HZ3 LYS 43 HZ3 LYS 43 0.580 -12.228 -2.065 336 HA PRO 44 HA PRO 44 1.272 -15.819 5.566 337 HB2 PRO 44 HB2 PRO 44 2.971 -16.431 3.177 338 HB3 PRO 44 HB1 PRO 44 3.010 -17.144 4.796 339 HG2 PRO 44 HG2 PRO 44 1.853 -18.441 2.784 340 HG3 PRO 44 HG1 PRO 44 1.139 -18.462 4.407 341 HD2 PRO 44 HD2 PRO 44 0.266 -17.006 1.972 342 HD3 PRO 44 HD1 PRO 44 -0.705 -17.635 3.317 343 H TYR 45 HN TYR 45 1.266 -14.036 2.586 344 HA TYR 45 HA TYR 45 3.522 -12.386 3.191 345 HB2 TYR 45 HB2 TYR 45 1.296 -12.091 1.172 346 HB3 TYR 45 HB1 TYR 45 2.681 -11.014 1.272 347 HD1 TYR 45 HD1 TYR 45 4.910 -12.855 1.711 348 HD2 TYR 45 HD2 TYR 45 1.515 -13.269 -0.817 349 HE1 TYR 45 HE1 TYR 45 6.184 -14.375 0.255 350 HE2 TYR 45 HE2 TYR 45 2.777 -14.790 -2.278 351 HH TYR 45 HH TYR 45 6.177 -15.222 -1.985 352 H PHE 46 HN PHE 46 3.589 -10.712 4.526 353 HA PHE 46 HA PHE 46 1.114 -9.206 5.041 354 HB2 PHE 46 HB2 PHE 46 2.875 -9.032 7.300 355 HB3 PHE 46 HB1 PHE 46 1.215 -9.609 7.239 356 HD1 PHE 46 HD2 PHE 46 4.720 -10.695 6.662 357 HD2 PHE 46 HD1 PHE 46 0.738 -11.841 7.632 358 HE1 PHE 46 HE2 PHE 46 5.502 -12.974 7.165 359 HE2 PHE 46 HE1 PHE 46 1.513 -14.121 8.138 360 HZ PHE 46 HZ PHE 46 3.897 -14.689 7.904 361 H LEU 47 HN LEU 47 1.307 -7.105 4.571 362 HA LEU 47 HA LEU 47 4.025 -5.969 4.478 363 HB2 LEU 47 HB2 LEU 47 1.965 -6.084 2.466 364 HB3 LEU 47 HB1 LEU 47 2.385 -4.420 2.821 365 HG LEU 47 HG LEU 47 4.147 -6.595 1.734 366 HD11 LEU 47 HD11 LEU 47 4.316 -5.290 -0.134 367 HD12 LEU 47 HD12 LEU 47 4.044 -3.790 0.751 368 HD13 LEU 47 HD13 LEU 47 2.689 -4.859 0.393 369 HD21 LEU 47 HD21 LEU 47 5.539 -5.717 3.403 370 HD22 LEU 47 HD22 LEU 47 4.946 -4.075 3.158 371 HD23 LEU 47 HD23 LEU 47 5.981 -4.828 1.946 372 H ARG 48 HN ARG 48 4.337 -4.565 6.041 373 HA ARG 48 HA ARG 48 2.112 -2.811 6.857 374 HB2 ARG 48 HB2 ARG 48 2.764 -4.091 8.753 375 HB3 ARG 48 HB1 ARG 48 4.474 -3.884 8.400 376 HG2 ARG 48 HG2 ARG 48 3.543 -1.298 8.715 377 HG3 ARG 48 HG1 ARG 48 2.686 -2.220 9.951 378 HD2 ARG 48 HD2 ARG 48 5.662 -2.392 9.535 379 HD3 ARG 48 HD1 ARG 48 4.911 -1.239 10.637 380 HE ARG 48 HE ARG 48 5.300 -4.036 11.077 381 HH11 ARG 48 HH11 ARG 48 3.252 -1.321 11.831 382 HH12 ARG 48 HH12 ARG 48 2.709 -1.984 13.337 383 HH21 ARG 48 HH21 ARG 48 4.589 -4.918 13.057 384 HH22 ARG 48 HH22 ARG 48 3.469 -4.029 14.034 385 H LEU 49 HN LEU 49 2.323 -0.900 5.846 386 HA LEU 49 HA LEU 49 5.023 0.268 5.692 387 HB2 LEU 49 HB2 LEU 49 2.805 0.312 3.663 388 HB3 LEU 49 HB1 LEU 49 4.145 1.442 3.612 389 HG LEU 49 HG LEU 49 4.202 -1.533 3.200 390 HD11 LEU 49 HD11 LEU 49 5.790 -0.037 1.391 391 HD12 LEU 49 HD12 LEU 49 4.218 0.752 1.516 392 HD13 LEU 49 HD13 LEU 49 4.316 -0.951 1.066 393 HD21 LEU 49 HD21 LEU 49 6.769 -0.975 2.968 394 HD22 LEU 49 HD22 LEU 49 6.064 -1.423 4.522 395 HD23 LEU 49 HD23 LEU 49 6.366 0.274 4.146 396 H THR 50 HN THR 50 5.296 2.208 6.535 397 HA THR 50 HA THR 50 2.937 3.683 7.469 398 HB THR 50 HB THR 50 5.567 4.700 8.280 399 HG1 THR 50 HG1 THR 50 4.768 2.248 9.454 400 HG21 THR 50 HG21 THR 50 4.266 5.508 9.886 401 HG22 THR 50 HG22 THR 50 3.941 3.869 10.452 402 HG23 THR 50 HG23 THR 50 2.895 4.607 9.239 403 H LEU 51 HN LEU 51 2.248 5.134 6.028 404 HA LEU 51 HA LEU 51 3.808 6.245 3.973 405 HB2 LEU 51 HB2 LEU 51 1.334 7.545 5.070 406 HB3 LEU 51 HB1 LEU 51 1.929 7.549 3.421 407 HG LEU 51 HG LEU 51 0.826 5.123 4.842 408 HD11 LEU 51 HD11 LEU 51 -0.598 6.240 2.537 409 HD12 LEU 51 HD12 LEU 51 -0.631 7.241 3.990 410 HD13 LEU 51 HD13 LEU 51 -1.219 5.579 4.050 411 HD21 LEU 51 HD21 LEU 51 0.902 5.059 1.955 412 HD22 LEU 51 HD22 LEU 51 1.528 3.898 3.124 413 HD23 LEU 51 HD23 LEU 51 2.511 5.279 2.641 414 HA PRO 52 HA PRO 52 6.322 9.216 6.088 415 HB2 PRO 52 HB2 PRO 52 5.997 10.655 3.494 416 HB3 PRO 52 HB1 PRO 52 7.468 10.284 4.401 417 HG2 PRO 52 HG2 PRO 52 6.821 8.882 2.232 418 HG3 PRO 52 HG1 PRO 52 7.541 8.093 3.648 419 HD2 PRO 52 HD2 PRO 52 4.723 8.059 2.687 420 HD3 PRO 52 HD1 PRO 52 5.650 6.795 3.520 421 H GLY 53 HN GLY 53 3.323 10.060 4.460 422 HA2 GLY 53 HA2 GLY 53 3.161 12.473 6.163 423 HA3 GLY 53 HA1 GLY 53 2.410 12.348 4.579 424 H ARG 54 HN ARG 54 0.284 12.457 4.929 425 HA ARG 54 HA ARG 54 -0.925 10.419 6.639 426 HB2 ARG 54 HB2 ARG 54 -1.679 13.343 6.790 427 HB3 ARG 54 HB1 ARG 54 -2.444 12.030 7.672 428 HG2 ARG 54 HG2 ARG 54 0.300 11.880 8.256 429 HG3 ARG 54 HG1 ARG 54 -0.152 13.583 8.373 430 HD2 ARG 54 HD2 ARG 54 -1.759 11.400 9.671 431 HD3 ARG 54 HD1 ARG 54 -0.392 12.165 10.479 432 HE ARG 54 HE ARG 54 -2.978 13.357 9.905 433 HH11 ARG 54 HH11 ARG 54 0.312 13.821 10.954 434 HH12 ARG 54 HH12 ARG 54 -0.014 15.331 11.737 435 HH21 ARG 54 HH21 ARG 54 -3.417 15.347 10.932 436 HH22 ARG 54 HH22 ARG 54 -2.133 16.199 11.723 437 H ILE 55 HN ILE 55 -2.776 9.581 5.826 438 HA ILE 55 HA ILE 55 -3.854 10.833 3.380 439 HB ILE 55 HB ILE 55 -3.729 7.902 4.098 440 HG12 ILE 55 HG12 ILE 55 -1.586 8.892 3.355 441 HG13 ILE 55 HG11 ILE 55 -2.208 7.708 2.210 442 HG21 ILE 55 HG21 ILE 55 -5.088 7.393 2.374 443 HG22 ILE 55 HG22 ILE 55 -4.552 8.760 1.399 444 HG23 ILE 55 HG23 ILE 55 -5.723 9.005 2.693 445 HD11 ILE 55 HD11 ILE 55 -1.235 9.967 1.375 446 HD12 ILE 55 HD12 ILE 55 -2.825 10.593 1.813 447 HD13 ILE 55 HD13 ILE 55 -2.683 9.296 0.626 448 H VAL 56 HN VAL 56 -5.918 11.499 3.499 449 HA VAL 56 HA VAL 56 -7.443 11.245 5.833 450 HB VAL 56 HB VAL 56 -7.874 13.099 4.406 451 HG11 VAL 56 HG11 VAL 56 -7.448 11.371 2.328 452 HG12 VAL 56 HG12 VAL 56 -8.042 13.025 2.177 453 HG13 VAL 56 HG13 VAL 56 -9.181 11.678 2.216 454 HG21 VAL 56 HG21 VAL 56 -10.252 13.066 4.267 455 HG22 VAL 56 HG22 VAL 56 -9.795 12.087 5.661 456 HG23 VAL 56 HG23 VAL 56 -10.280 11.305 4.157 457 H GLU 57 HN GLU 57 -9.494 10.291 6.145 458 HA GLU 57 HA GLU 57 -9.878 7.772 4.668 459 HB2 GLU 57 HB2 GLU 57 -10.745 6.869 6.869 460 HB3 GLU 57 HB1 GLU 57 -9.013 7.148 6.786 461 HG2 GLU 57 HG2 GLU 57 -10.392 9.487 7.747 462 HG3 GLU 57 HG1 GLU 57 -10.785 8.072 8.721 463 H ASN 58 HN ASN 58 -11.889 7.424 3.891 464 HA ASN 58 HA ASN 58 -14.241 8.391 5.133 465 HB2 ASN 58 HB2 ASN 58 -13.028 10.048 2.977 466 HB3 ASN 58 HB1 ASN 58 -14.780 9.873 2.997 467 HD21 ASN 58 HD21 ASN 58 -12.319 11.758 4.001 468 HD22 ASN 58 HD22 ASN 58 -13.054 12.513 5.370 469 H GLY 59 HN GLY 59 -13.000 6.015 3.640 470 HA2 GLY 59 HA2 GLY 59 -13.859 4.266 2.444 471 HA3 GLY 59 HA1 GLY 59 -15.424 5.051 2.558 472 H SER 60 HN SER 60 -13.208 7.159 1.183 473 HA SER 60 HA SER 60 -14.316 6.608 -1.471 474 HB2 SER 60 HB2 SER 60 -12.704 9.034 -0.684 475 HB3 SER 60 HB1 SER 60 -13.818 8.856 -2.039 476 HG SER 60 HG SER 60 -15.197 9.709 -0.700 477 H GLU 61 HN GLU 61 -12.437 4.774 -0.740 478 HA GLU 61 HA GLU 61 -9.881 5.583 -1.876 479 HB2 GLU 61 HB2 GLU 61 -9.497 2.984 -1.394 480 HB3 GLU 61 HB1 GLU 61 -9.360 4.207 -0.138 481 HG2 GLU 61 HG2 GLU 61 -11.339 3.608 0.858 482 HG3 GLU 61 HG1 GLU 61 -11.997 2.909 -0.621 483 H GLN 62 HN GLN 62 -8.836 3.860 -3.370 484 HA GLN 62 HA GLN 62 -10.772 2.758 -5.269 485 HB2 GLN 62 HB2 GLN 62 -8.772 4.903 -5.835 486 HB3 GLN 62 HB1 GLN 62 -9.093 3.706 -7.082 487 HG2 GLN 62 HG2 GLN 62 -11.055 4.615 -7.604 488 HG3 GLN 62 HG1 GLN 62 -11.521 4.801 -5.914 489 HE21 GLN 62 HE21 GLN 62 -12.260 6.841 -5.914 490 HE22 GLN 62 HE22 GLN 62 -11.318 8.228 -6.333 491 H GLY 63 HN GLY 63 -10.109 0.896 -6.261 492 HA2 GLY 63 HA2 GLY 63 -7.300 0.110 -6.045 493 HA3 GLY 63 HA1 GLY 63 -8.481 -0.907 -5.238 494 H SER 64 HN SER 64 -6.742 -1.783 -7.262 495 HA SER 64 HA SER 64 -8.662 -2.918 -9.088 496 HB2 SER 64 HB2 SER 64 -6.974 -2.232 -11.032 497 HB3 SER 64 HB1 SER 64 -8.319 -1.189 -10.569 498 HG SER 64 HG SER 64 -5.774 -0.579 -10.575 499 H TYR 65 HN TYR 65 -8.158 -5.010 -9.116 500 HA TYR 65 HA TYR 65 -5.314 -5.760 -8.922 501 HB2 TYR 65 HB2 TYR 65 -6.317 -6.505 -6.926 502 HB3 TYR 65 HB1 TYR 65 -7.772 -7.045 -7.757 503 HD1 TYR 65 HD1 TYR 65 -4.132 -7.769 -7.451 504 HD2 TYR 65 HD2 TYR 65 -7.999 -9.285 -8.368 505 HE1 TYR 65 HE1 TYR 65 -3.206 -10.044 -7.566 506 HE2 TYR 65 HE2 TYR 65 -7.084 -11.565 -8.486 507 HH TYR 65 HH TYR 65 -4.621 -12.624 -7.230 508 H ASP 66 HN ASP 66 -4.484 -7.173 -10.352 509 HA ASP 66 HA ASP 66 -6.305 -8.276 -12.391 510 HB2 ASP 66 HB2 ASP 66 -4.255 -6.450 -12.794 511 HB3 ASP 66 HB1 ASP 66 -3.526 -7.990 -13.240 512 H ALA 67 HN ALA 67 -6.416 -10.418 -12.333 513 HA ALA 67 HA ALA 67 -4.650 -11.989 -10.752 514 HB1 ALA 67 HB1 ALA 67 -7.158 -12.370 -12.072 515 HB2 ALA 67 HB2 ALA 67 -6.428 -13.307 -10.768 516 HB3 ALA 67 HB3 ALA 67 -6.078 -13.713 -12.449 517 H ASP 68 HN ASP 68 -5.218 -11.881 -14.279 518 HA ASP 68 HA ASP 68 -3.296 -13.728 -15.033 519 HB2 ASP 68 HB2 ASP 68 -4.132 -11.236 -16.533 520 HB3 ASP 68 HB1 ASP 68 -3.355 -12.652 -17.229 521 H LYS 69 HN LYS 69 -2.971 -10.220 -14.592 522 HA LYS 69 HA LYS 69 -0.133 -10.312 -15.141 523 HB2 LYS 69 HB2 LYS 69 -1.712 -8.396 -15.742 524 HB3 LYS 69 HB1 LYS 69 -1.672 -7.970 -14.036 525 HG2 LYS 69 HG2 LYS 69 0.572 -7.375 -14.107 526 HG3 LYS 69 HG1 LYS 69 0.860 -8.269 -15.601 527 HD2 LYS 69 HD2 LYS 69 0.817 -5.838 -15.972 528 HD3 LYS 69 HD1 LYS 69 -0.474 -6.666 -16.846 529 HE2 LYS 69 HE2 LYS 69 -2.111 -5.943 -15.306 530 HE3 LYS 69 HE1 LYS 69 -0.895 -5.432 -14.137 531 HZ1 LYS 69 HZ1 LYS 69 -1.764 -4.106 -16.612 532 HZ2 LYS 69 HZ2 LYS 69 -0.194 -3.840 -16.042 533 HZ3 LYS 69 HZ3 LYS 69 -1.522 -3.450 -15.071 534 H GLY 70 HN GLY 70 -2.234 -10.347 -12.372 535 HA2 GLY 70 HA2 GLY 70 -1.782 -10.681 -10.142 536 HA3 GLY 70 HA1 GLY 70 -0.148 -11.121 -10.619 537 H ILE 71 HN ILE 71 -2.170 -8.198 -10.443 538 HA ILE 71 HA ILE 71 -0.127 -6.901 -8.822 539 HB ILE 71 HB ILE 71 -1.112 -5.412 -11.234 540 HG12 ILE 71 HG12 ILE 71 1.141 -7.384 -11.050 541 HG13 ILE 71 HG11 ILE 71 -0.041 -7.167 -12.337 542 HG21 ILE 71 HG21 ILE 71 -0.039 -4.310 -9.202 543 HG22 ILE 71 HG22 ILE 71 0.643 -3.922 -10.780 544 HG23 ILE 71 HG23 ILE 71 1.462 -5.073 -9.724 545 HD11 ILE 71 HD11 ILE 71 2.444 -5.619 -11.770 546 HD12 ILE 71 HD12 ILE 71 1.122 -4.882 -12.675 547 HD13 ILE 71 HD13 ILE 71 1.895 -6.348 -13.278 548 H PHE 72 HN PHE 72 -1.113 -5.945 -7.190 549 HA PHE 72 HA PHE 72 -3.884 -5.017 -7.551 550 HB2 PHE 72 HB2 PHE 72 -3.925 -6.651 -5.865 551 HB3 PHE 72 HB1 PHE 72 -2.405 -6.104 -5.169 552 HD1 PHE 72 HD1 PHE 72 -5.213 -3.902 -6.099 553 HD2 PHE 72 HD2 PHE 72 -3.124 -5.836 -2.934 554 HE1 PHE 72 HE1 PHE 72 -6.458 -2.554 -4.458 555 HE2 PHE 72 HE2 PHE 72 -4.367 -4.494 -1.289 556 HZ PHE 72 HZ PHE 72 -6.035 -2.849 -2.050 557 H THR 73 HN THR 73 -3.961 -2.894 -7.887 558 HA THR 73 HA THR 73 -2.027 -1.170 -6.493 559 HB THR 73 HB THR 73 -3.705 -0.016 -8.645 560 HG1 THR 73 HG1 THR 73 -3.160 -1.628 -9.945 561 HG21 THR 73 HG21 THR 73 -2.139 1.553 -8.479 562 HG22 THR 73 HG22 THR 73 -0.904 0.387 -8.949 563 HG23 THR 73 HG23 THR 73 -1.317 0.596 -7.248 564 H ILE 74 HN ILE 74 -2.710 0.680 -5.409 565 HA ILE 74 HA ILE 74 -5.596 1.025 -5.033 566 HB ILE 74 HB ILE 74 -4.436 -0.401 -3.187 567 HG12 ILE 74 HG12 ILE 74 -5.832 0.914 -1.424 568 HG13 ILE 74 HG11 ILE 74 -6.310 1.912 -2.794 569 HG21 ILE 74 HG21 ILE 74 -3.894 1.994 -1.645 570 HG22 ILE 74 HG22 ILE 74 -2.817 1.830 -3.030 571 HG23 ILE 74 HG23 ILE 74 -2.927 0.532 -1.843 572 HD11 ILE 74 HD11 ILE 74 -6.879 -0.975 -2.276 573 HD12 ILE 74 HD12 ILE 74 -6.955 -0.312 -3.909 574 HD13 ILE 74 HD13 ILE 74 -7.998 0.337 -2.645 575 H ARG 75 HN ARG 75 -6.212 3.104 -4.224 576 HA ARG 75 HA ARG 75 -4.128 5.164 -4.250 577 HB2 ARG 75 HB2 ARG 75 -6.774 5.599 -5.619 578 HB3 ARG 75 HB1 ARG 75 -5.313 6.570 -5.736 579 HG2 ARG 75 HG2 ARG 75 -4.389 5.243 -7.310 580 HG3 ARG 75 HG1 ARG 75 -5.097 3.770 -6.642 581 HD2 ARG 75 HD2 ARG 75 -5.957 4.536 -8.910 582 HD3 ARG 75 HD1 ARG 75 -7.166 4.165 -7.680 583 HE ARG 75 HE ARG 75 -6.806 6.815 -7.370 584 HH11 ARG 75 HH11 ARG 75 -7.449 4.829 -10.156 585 HH12 ARG 75 HH12 ARG 75 -8.304 6.072 -11.006 586 HH21 ARG 75 HH21 ARG 75 -7.932 8.458 -8.477 587 HH22 ARG 75 HH22 ARG 75 -8.575 8.138 -10.052 588 H LEU 76 HN LEU 76 -4.497 6.860 -2.807 589 HA LEU 76 HA LEU 76 -7.017 6.759 -1.320 590 HB2 LEU 76 HB2 LEU 76 -4.295 6.980 -0.050 591 HB3 LEU 76 HB1 LEU 76 -5.835 6.861 0.763 592 HG LEU 76 HG LEU 76 -5.366 4.608 -1.012 593 HD11 LEU 76 HD11 LEU 76 -3.049 4.933 -0.486 594 HD12 LEU 76 HD12 LEU 76 -3.651 3.560 0.443 595 HD13 LEU 76 HD13 LEU 76 -3.418 5.122 1.228 596 HD21 LEU 76 HD21 LEU 76 -7.106 4.405 0.530 597 HD22 LEU 76 HD22 LEU 76 -6.131 5.040 1.856 598 HD23 LEU 76 HD23 LEU 76 -5.811 3.426 1.219 599 HA PRO 77 HA PRO 77 -6.786 11.174 -1.641 600 HB2 PRO 77 HB2 PRO 77 -8.531 11.886 0.273 601 HB3 PRO 77 HB1 PRO 77 -9.055 11.067 -1.204 602 HG2 PRO 77 HG2 PRO 77 -8.613 9.941 1.531 603 HG3 PRO 77 HG1 PRO 77 -9.916 9.603 0.378 604 HD2 PRO 77 HD2 PRO 77 -7.728 7.984 0.743 605 HD3 PRO 77 HD1 PRO 77 -8.672 8.056 -0.756 606 H LYS 78 HN LYS 78 -5.967 13.049 -0.590 607 HA LYS 78 HA LYS 78 -4.279 12.425 1.721 608 HB2 LYS 78 HB2 LYS 78 -4.161 14.847 -0.080 609 HB3 LYS 78 HB1 LYS 78 -2.964 14.353 1.109 610 HG2 LYS 78 HG2 LYS 78 -3.689 12.788 -1.360 611 HG3 LYS 78 HG1 LYS 78 -2.288 13.849 -1.200 612 HD2 LYS 78 HD2 LYS 78 -2.180 12.152 1.014 613 HD3 LYS 78 HD1 LYS 78 -2.631 11.116 -0.341 614 HE2 LYS 78 HE2 LYS 78 -0.249 11.148 -0.208 615 HE3 LYS 78 HE1 LYS 78 -0.721 12.090 -1.621 616 HZ1 LYS 78 HZ1 LYS 78 1.051 13.029 -0.038 617 HZ2 LYS 78 HZ2 LYS 78 -0.253 13.420 0.967 618 HZ3 LYS 78 HZ3 LYS 78 -0.165 14.067 -0.593 619 H GLU 79 HN GLU 79 -4.152 13.842 3.504 620 HA GLU 79 HA GLU 79 -6.692 15.096 4.140 621 HB2 GLU 79 HB2 GLU 79 -5.790 13.698 5.853 622 HB3 GLU 79 HB1 GLU 79 -4.222 14.488 5.762 623 HG2 GLU 79 HG2 GLU 79 -6.410 16.308 6.398 624 HG3 GLU 79 HG1 GLU 79 -6.181 15.027 7.587 625 H THR 80 HN THR 80 -3.901 16.075 2.669 626 HA THR 80 HA THR 80 -4.553 18.859 3.042 627 HB THR 80 HB THR 80 -1.869 17.807 3.956 628 HG1 THR 80 HG1 THR 80 -4.133 18.419 5.277 629 HG21 THR 80 HG21 THR 80 -2.702 20.437 2.976 630 HG22 THR 80 HG22 THR 80 -1.086 19.755 3.161 631 HG23 THR 80 HG23 THR 80 -1.906 20.473 4.550 632 HA PRO 81 HA PRO 81 -3.302 18.518 -1.240 633 HB2 PRO 81 HB2 PRO 81 -3.519 21.215 -1.759 634 HB3 PRO 81 HB1 PRO 81 -4.871 20.080 -1.802 635 HG2 PRO 81 HG2 PRO 81 -4.043 21.962 0.367 636 HG3 PRO 81 HG1 PRO 81 -5.671 21.551 -0.202 637 HD2 PRO 81 HD2 PRO 81 -4.650 20.512 2.060 638 HD3 PRO 81 HD1 PRO 81 -5.731 19.578 1.004 639 H GLY 82 HN GLY 82 -1.421 18.873 -2.381 640 HA2 GLY 82 HA2 GLY 82 0.678 19.762 -2.853 641 HA3 GLY 82 HA1 GLY 82 0.516 20.819 -1.459 642 H GLN 83 HN GLN 83 -0.258 17.784 -0.435 643 HA GLN 83 HA GLN 83 2.227 17.492 0.975 644 HB2 GLN 83 HB2 GLN 83 0.081 16.997 2.050 645 HB3 GLN 83 HB1 GLN 83 -0.220 15.719 0.882 646 HG2 GLN 83 HG2 GLN 83 0.563 14.467 2.579 647 HG3 GLN 83 HG1 GLN 83 2.101 14.846 1.805 648 HE21 GLN 83 HE21 GLN 83 3.485 16.332 2.769 649 HE22 GLN 83 HE22 GLN 83 3.314 16.813 4.420 650 H HIS 84 HN HIS 84 3.928 16.311 0.390 651 HA HIS 84 HA HIS 84 3.554 14.225 -1.656 652 HB2 HIS 84 HB2 HIS 84 4.663 16.285 -2.550 653 HB3 HIS 84 HB1 HIS 84 5.972 16.024 -1.402 654 HD1 HIS 84 HD1 HIS 84 7.860 15.391 -2.906 655 HD2 HIS 84 HD2 HIS 84 4.394 13.260 -3.743 656 HE1 HIS 84 HE1 HIS 84 8.529 13.662 -4.604 657 HE2 HIS 84 HE2 HIS 84 6.435 12.327 -5.028 658 H PHE 85 HN PHE 85 4.007 12.287 -0.858 659 HA PHE 85 HA PHE 85 5.418 11.942 1.597 660 HB2 PHE 85 HB2 PHE 85 4.378 9.979 -0.448 661 HB3 PHE 85 HB1 PHE 85 5.119 9.501 1.072 662 HD1 PHE 85 HD2 PHE 85 3.349 12.511 1.514 663 HD2 PHE 85 HD1 PHE 85 2.801 8.303 1.158 664 HE1 PHE 85 HE2 PHE 85 1.168 12.703 2.637 665 HE2 PHE 85 HE1 PHE 85 0.619 8.491 2.280 666 HZ PHE 85 HZ PHE 85 -0.199 10.692 3.019 667 H GLU 86 HN GLU 86 7.502 12.734 1.280 668 HA GLU 86 HA GLU 86 9.186 11.972 -0.858 669 HB2 GLU 86 HB2 GLU 86 9.607 13.275 1.805 670 HB3 GLU 86 HB1 GLU 86 10.994 12.774 0.848 671 HG2 GLU 86 HG2 GLU 86 9.674 14.111 -1.034 672 HG3 GLU 86 HG1 GLU 86 9.047 14.950 0.384 673 H GLY 87 HN GLY 87 11.343 10.904 -0.464 674 HA2 GLY 87 HA2 GLY 87 12.323 8.817 -0.254 675 HA3 GLY 87 HA1 GLY 87 12.139 9.207 1.446 676 H LEU 88 HN LEU 88 9.617 8.399 -0.923 677 HA LEU 88 HA LEU 88 8.258 6.675 0.826 678 HB2 LEU 88 HB2 LEU 88 8.113 7.399 -2.007 679 HB3 LEU 88 HB1 LEU 88 7.529 5.785 -1.660 680 HG LEU 88 HG LEU 88 6.516 8.343 -0.415 681 HD11 LEU 88 HD11 LEU 88 4.388 7.445 -1.615 682 HD12 LEU 88 HD12 LEU 88 5.550 6.581 -2.622 683 HD13 LEU 88 HD13 LEU 88 5.601 8.341 -2.530 684 HD21 LEU 88 HD21 LEU 88 6.376 5.628 0.479 685 HD22 LEU 88 HD22 LEU 88 4.764 6.190 0.035 686 HD23 LEU 88 HD23 LEU 88 5.712 7.081 1.225 687 H ASN 89 HN ASN 89 10.130 5.723 -2.110 688 HA ASN 89 HA ASN 89 10.263 3.009 -1.171 689 HB2 ASN 89 HB2 ASN 89 10.219 4.056 -3.644 690 HB3 ASN 89 HB1 ASN 89 11.962 3.903 -3.436 691 HD21 ASN 89 HD21 ASN 89 9.249 1.893 -2.364 692 HD22 ASN 89 HD22 ASN 89 9.799 0.443 -3.126 693 H MET 90 HN MET 90 11.696 5.414 0.150 694 HA MET 90 HA MET 90 14.331 4.122 0.342 695 HB2 MET 90 HB2 MET 90 13.559 7.026 0.417 696 HB3 MET 90 HB1 MET 90 15.030 6.472 1.206 697 HG2 MET 90 HG2 MET 90 15.830 5.571 -0.916 698 HG3 MET 90 HG1 MET 90 14.357 6.129 -1.706 699 HE1 MET 90 HE1 MET 90 16.750 8.466 -3.333 700 HE2 MET 90 HE2 MET 90 14.986 8.492 -3.360 701 HE3 MET 90 HE3 MET 90 15.846 6.952 -3.375 702 H LEU 91 HN LEU 91 11.600 5.571 1.972 703 HA LEU 91 HA LEU 91 12.330 5.796 4.561 704 HB2 LEU 91 HB2 LEU 91 10.111 5.843 4.986 705 HB3 LEU 91 HB1 LEU 91 9.974 5.793 3.237 706 HG LEU 91 HG LEU 91 9.705 3.456 5.126 707 HD11 LEU 91 HD11 LEU 91 7.809 5.225 3.703 708 HD12 LEU 91 HD12 LEU 91 7.656 4.414 5.262 709 HD13 LEU 91 HD13 LEU 91 7.421 3.506 3.769 710 HD21 LEU 91 HD21 LEU 91 8.871 2.831 2.494 711 HD22 LEU 91 HD22 LEU 91 10.174 2.103 3.434 712 HD23 LEU 91 HD23 LEU 91 10.503 3.493 2.400 713 H THR 92 HN THR 92 11.755 4.176 6.419 714 HA THR 92 HA THR 92 12.680 1.491 5.647 715 HB THR 92 HB THR 92 13.986 1.344 7.701 716 HG1 THR 92 HG1 THR 92 12.653 3.012 8.827 717 HG21 THR 92 HG21 THR 92 15.815 2.445 6.899 718 HG22 THR 92 HG22 THR 92 14.916 3.926 6.572 719 HG23 THR 92 HG23 THR 92 14.777 2.551 5.477 720 H ALA 93 HN ALA 93 12.269 -0.126 7.450 721 HA ALA 93 HA ALA 93 9.521 0.256 8.367 722 HB1 ALA 93 HB1 ALA 93 9.842 -1.753 7.104 723 HB2 ALA 93 HB2 ALA 93 9.571 -2.202 8.787 724 HB3 ALA 93 HB3 ALA 93 11.202 -2.232 8.118 725 H LEU 94 HN LEU 94 8.967 0.393 10.459 726 HA LEU 94 HA LEU 94 11.104 0.035 12.457 727 HB2 LEU 94 HB2 LEU 94 9.357 1.733 13.667 728 HB3 LEU 94 HB1 LEU 94 10.813 2.225 12.823 729 HG LEU 94 HG LEU 94 8.173 2.013 11.400 730 HD11 LEU 94 HD11 LEU 94 9.249 4.551 12.588 731 HD12 LEU 94 HD12 LEU 94 8.080 3.535 13.432 732 HD13 LEU 94 HD13 LEU 94 7.663 4.253 11.876 733 HD21 LEU 94 HD21 LEU 94 9.635 2.337 9.720 734 HD22 LEU 94 HD22 LEU 94 10.887 2.968 10.789 735 HD23 LEU 94 HD23 LEU 94 9.575 4.017 10.251 736 H LEU 95 HN LEU 95 10.705 -1.283 14.125 737 HA LEU 95 HA LEU 95 8.103 -2.601 14.231 738 HB2 LEU 95 HB2 LEU 95 10.858 -3.266 15.092 739 HB3 LEU 95 HB1 LEU 95 9.557 -3.904 16.080 740 HG LEU 95 HG LEU 95 8.640 -5.118 14.224 741 HD11 LEU 95 HD11 LEU 95 10.373 -4.930 12.116 742 HD12 LEU 95 HD12 LEU 95 10.271 -3.260 12.673 743 HD13 LEU 95 HD13 LEU 95 8.805 -4.132 12.227 744 HD21 LEU 95 HD21 LEU 95 11.572 -5.597 13.915 745 HD22 LEU 95 HD22 LEU 95 10.250 -6.758 14.042 746 HD23 LEU 95 HD23 LEU 95 10.795 -5.882 15.473 747 H ALA 96 HN ALA 96 6.625 -2.131 15.715 748 HA ALA 96 HA ALA 96 6.790 -1.826 18.365 749 HB1 ALA 96 HB1 ALA 96 7.603 0.752 17.072 750 HB2 ALA 96 HB2 ALA 96 8.356 -0.105 18.417 751 HB3 ALA 96 HB3 ALA 96 6.820 0.728 18.652 Start of MODEL 18 1 H MET 1 H MET 1 8.056 -18.119 2.364 2 HA MET 1 HA MET 1 7.412 -16.364 0.809 3 HB2 MET 1 HB2 MET 1 6.761 -14.877 2.580 4 HB3 MET 1 HB1 MET 1 6.758 -16.514 3.223 5 HG2 MET 1 HG2 MET 1 9.274 -15.743 3.835 6 HG3 MET 1 HG1 MET 1 8.421 -14.204 3.933 7 HE1 MET 1 HE1 MET 1 9.816 -15.455 6.630 8 HE2 MET 1 HE2 MET 1 8.510 -14.905 7.680 9 HE3 MET 1 HE3 MET 1 9.032 -13.905 6.326 10 H LEU 2 HN LEU 2 8.207 -14.938 -0.587 11 HA LEU 2 HA LEU 2 10.673 -13.495 0.131 12 HB2 LEU 2 HB2 LEU 2 9.704 -14.534 -2.522 13 HB3 LEU 2 HB1 LEU 2 10.960 -13.316 -2.400 14 HG LEU 2 HG LEU 2 11.675 -15.471 -0.685 15 HD11 LEU 2 HD11 LEU 2 11.962 -17.075 -2.777 16 HD12 LEU 2 HD12 LEU 2 10.470 -16.276 -3.272 17 HD13 LEU 2 HD13 LEU 2 10.540 -17.137 -1.735 18 HD21 LEU 2 HD21 LEU 2 13.567 -14.595 -1.465 19 HD22 LEU 2 HD22 LEU 2 12.752 -13.887 -2.860 20 HD23 LEU 2 HD23 LEU 2 13.306 -15.560 -2.917 21 H THR 3 HN THR 3 10.116 -11.499 0.723 22 HA THR 3 HA THR 3 7.843 -10.089 0.287 23 HB THR 3 HB THR 3 10.632 -8.919 0.336 24 HG1 THR 3 HG1 THR 3 10.547 -9.271 2.419 25 HG21 THR 3 HG21 THR 3 9.668 -6.939 0.027 26 HG22 THR 3 HG22 THR 3 8.774 -7.182 1.527 27 HG23 THR 3 HG23 THR 3 8.067 -7.680 -0.009 28 HA PRO 4 HA PRO 4 7.672 -9.744 -4.184 29 HB2 PRO 4 HB2 PRO 4 5.567 -7.778 -3.448 30 HB3 PRO 4 HB1 PRO 4 5.487 -9.152 -4.556 31 HG2 PRO 4 HG2 PRO 4 4.328 -9.259 -2.156 32 HG3 PRO 4 HG1 PRO 4 5.136 -10.679 -2.848 33 HD2 PRO 4 HD2 PRO 4 6.074 -8.816 -0.709 34 HD3 PRO 4 HD1 PRO 4 6.296 -10.572 -0.855 35 H ALA 5 HN ALA 5 8.131 -8.153 -5.740 36 HA ALA 5 HA ALA 5 9.745 -5.974 -4.762 37 HB1 ALA 5 HB1 ALA 5 9.939 -7.515 -6.969 38 HB2 ALA 5 HB2 ALA 5 10.692 -5.929 -6.808 39 HB3 ALA 5 HB3 ALA 5 9.148 -6.091 -7.644 40 H PHE 6 HN PHE 6 7.456 -5.327 -3.742 41 HA PHE 6 HA PHE 6 5.625 -3.945 -5.380 42 HB2 PHE 6 HB2 PHE 6 4.712 -3.083 -3.313 43 HB3 PHE 6 HB1 PHE 6 5.127 -4.778 -3.095 44 HD1 PHE 6 HD1 PHE 6 7.067 -5.415 -1.741 45 HD2 PHE 6 HD2 PHE 6 5.828 -1.358 -2.092 46 HE1 PHE 6 HE1 PHE 6 8.424 -4.834 0.227 47 HE2 PHE 6 HE2 PHE 6 7.182 -0.770 -0.125 48 HZ PHE 6 HZ PHE 6 8.484 -2.509 1.037 49 H ASP 7 HN ASP 7 5.166 -1.577 -5.113 50 HA ASP 7 HA ASP 7 7.501 0.092 -4.640 51 HB2 ASP 7 HB2 ASP 7 6.468 -0.550 -7.323 52 HB3 ASP 7 HB1 ASP 7 6.685 1.170 -7.015 53 H LEU 8 HN LEU 8 6.980 2.309 -4.340 54 HA LEU 8 HA LEU 8 4.101 2.761 -3.938 55 HB2 LEU 8 HB2 LEU 8 5.927 4.578 -2.553 56 HB3 LEU 8 HB1 LEU 8 4.511 3.733 -1.957 57 HG LEU 8 HG LEU 8 6.991 2.148 -2.410 58 HD11 LEU 8 HD11 LEU 8 6.562 3.903 0.005 59 HD12 LEU 8 HD12 LEU 8 7.762 4.183 -1.255 60 HD13 LEU 8 HD13 LEU 8 7.872 2.747 -0.236 61 HD21 LEU 8 HD21 LEU 8 6.093 1.144 -0.235 62 HD22 LEU 8 HD22 LEU 8 5.165 0.869 -1.709 63 HD23 LEU 8 HD23 LEU 8 4.639 2.089 -0.551 64 H SER 9 HN SER 9 3.133 4.428 -4.858 65 HA SER 9 HA SER 9 4.702 6.597 -6.029 66 HB2 SER 9 HB2 SER 9 2.966 6.389 -8.016 67 HB3 SER 9 HB1 SER 9 4.445 5.428 -8.019 68 HG SER 9 HG SER 9 1.835 4.629 -7.815 69 H GLN 10 HN GLN 10 3.748 8.555 -5.715 70 HA GLN 10 HA GLN 10 0.948 8.517 -4.822 71 HB2 GLN 10 HB2 GLN 10 1.402 9.865 -2.981 72 HB3 GLN 10 HB1 GLN 10 2.744 8.733 -2.999 73 HG2 GLN 10 HG2 GLN 10 2.993 11.398 -4.330 74 HG3 GLN 10 HG1 GLN 10 3.210 11.232 -2.590 75 HE21 GLN 10 HE21 GLN 10 5.331 11.492 -2.332 76 HE22 GLN 10 HE22 GLN 10 6.553 10.552 -3.113 77 H ASP 11 HN ASP 11 -0.339 10.145 -5.395 78 HA ASP 11 HA ASP 11 0.701 12.050 -7.367 79 HB2 ASP 11 HB2 ASP 11 -1.858 10.624 -7.000 80 HB3 ASP 11 HB1 ASP 11 -2.021 12.317 -7.458 81 HA PRO 12 HA PRO 12 0.186 15.521 -4.723 82 HB2 PRO 12 HB2 PRO 12 -1.185 17.311 -6.290 83 HB3 PRO 12 HB1 PRO 12 0.545 16.983 -6.426 84 HG2 PRO 12 HG2 PRO 12 -1.717 15.907 -8.058 85 HG3 PRO 12 HG1 PRO 12 -0.115 16.458 -8.586 86 HD2 PRO 12 HD2 PRO 12 -0.703 13.844 -8.338 87 HD3 PRO 12 HD1 PRO 12 0.912 14.478 -7.956 88 H ASP 13 HN ASP 13 -2.493 13.713 -5.661 89 HA ASP 13 HA ASP 13 -4.129 15.024 -3.621 90 HB2 ASP 13 HB2 ASP 13 -5.121 14.132 -6.331 91 HB3 ASP 13 HB1 ASP 13 -6.153 14.631 -5.000 92 H PHE 14 HN PHE 14 -2.450 12.468 -4.180 93 HA PHE 14 HA PHE 14 -4.052 10.716 -2.598 94 HB2 PHE 14 HB2 PHE 14 -3.570 9.870 -5.462 95 HB3 PHE 14 HB1 PHE 14 -4.313 8.899 -4.206 96 HD1 PHE 14 HD1 PHE 14 -4.780 11.656 -6.548 97 HD2 PHE 14 HD2 PHE 14 -6.594 9.268 -3.528 98 HE1 PHE 14 HE1 PHE 14 -6.997 12.454 -7.255 99 HE2 PHE 14 HE2 PHE 14 -8.814 10.063 -4.226 100 HZ PHE 14 HZ PHE 14 -9.019 11.659 -6.092 101 H LEU 15 HN LEU 15 -3.045 8.574 -2.347 102 HA LEU 15 HA LEU 15 -0.171 8.483 -2.930 103 HB2 LEU 15 HB2 LEU 15 -0.299 9.256 -0.639 104 HB3 LEU 15 HB1 LEU 15 -1.474 8.020 -0.240 105 HG LEU 15 HG LEU 15 0.889 7.637 0.583 106 HD11 LEU 15 HD11 LEU 15 0.482 5.427 0.633 107 HD12 LEU 15 HD12 LEU 15 0.279 5.316 -1.116 108 HD13 LEU 15 HD13 LEU 15 -1.049 5.891 -0.108 109 HD21 LEU 15 HD21 LEU 15 1.308 7.444 -2.369 110 HD22 LEU 15 HD22 LEU 15 2.281 6.465 -1.272 111 HD23 LEU 15 HD23 LEU 15 2.307 8.224 -1.141 112 H THR 16 HN THR 16 -0.143 6.751 -4.319 113 HA THR 16 HA THR 16 -1.854 4.471 -3.640 114 HB THR 16 HB THR 16 -0.582 5.216 -6.275 115 HG1 THR 16 HG1 THR 16 -2.340 6.512 -6.025 116 HG21 THR 16 HG21 THR 16 -2.238 2.861 -5.428 117 HG22 THR 16 HG22 THR 16 -0.708 2.880 -6.306 118 HG23 THR 16 HG23 THR 16 -2.191 3.406 -7.105 119 H ILE 17 HN ILE 17 -1.082 2.502 -3.325 120 HA ILE 17 HA ILE 17 1.799 2.015 -3.688 121 HB ILE 17 HB ILE 17 0.195 0.810 -1.438 122 HG12 ILE 17 HG12 ILE 17 1.831 3.353 -1.428 123 HG13 ILE 17 HG11 ILE 17 0.128 3.178 -1.018 124 HG21 ILE 17 HG21 ILE 17 2.942 1.084 -0.843 125 HG22 ILE 17 HG22 ILE 17 2.822 0.437 -2.479 126 HG23 ILE 17 HG23 ILE 17 2.029 -0.396 -1.142 127 HD11 ILE 17 HD11 ILE 17 0.730 2.981 1.101 128 HD12 ILE 17 HD12 ILE 17 2.437 2.944 0.659 129 HD13 ILE 17 HD13 ILE 17 1.503 1.449 0.695 130 H ALA 18 HN ALA 18 2.301 0.032 -4.638 131 HA ALA 18 HA ALA 18 0.025 -1.765 -5.105 132 HB1 ALA 18 HB1 ALA 18 1.195 -0.264 -7.060 133 HB2 ALA 18 HB2 ALA 18 0.311 -1.767 -7.323 134 HB3 ALA 18 HB3 ALA 18 2.070 -1.790 -7.193 135 H ILE 19 HN ILE 19 0.380 -3.910 -4.913 136 HA ILE 19 HA ILE 19 3.109 -4.774 -4.206 137 HB ILE 19 HB ILE 19 0.831 -6.325 -3.130 138 HG12 ILE 19 HG12 ILE 19 1.640 -3.718 -1.832 139 HG13 ILE 19 HG11 ILE 19 0.188 -3.905 -2.810 140 HG21 ILE 19 HG21 ILE 19 2.498 -6.038 -1.088 141 HG22 ILE 19 HG22 ILE 19 3.619 -5.643 -2.390 142 HG23 ILE 19 HG23 ILE 19 2.793 -7.200 -2.381 143 HD11 ILE 19 HD11 ILE 19 -0.801 -5.351 -1.254 144 HD12 ILE 19 HD12 ILE 19 -0.084 -4.053 -0.300 145 HD13 ILE 19 HD13 ILE 19 0.724 -5.617 -0.409 146 H ARG 20 HN ARG 20 3.879 -6.548 -5.239 147 HA ARG 20 HA ARG 20 2.361 -7.595 -7.443 148 HB2 ARG 20 HB2 ARG 20 4.717 -7.282 -7.771 149 HB3 ARG 20 HB1 ARG 20 5.100 -8.251 -6.355 150 HG2 ARG 20 HG2 ARG 20 4.012 -10.194 -7.572 151 HG3 ARG 20 HG1 ARG 20 4.046 -9.171 -9.010 152 HD2 ARG 20 HD2 ARG 20 6.584 -8.885 -8.187 153 HD3 ARG 20 HD1 ARG 20 6.255 -10.502 -7.569 154 HE ARG 20 HE ARG 20 5.417 -10.777 -10.060 155 HH11 ARG 20 HH11 ARG 20 8.285 -9.208 -8.852 156 HH12 ARG 20 HH12 ARG 20 9.224 -9.550 -10.266 157 HH21 ARG 20 HH21 ARG 20 6.651 -11.238 -11.926 158 HH22 ARG 20 HH22 ARG 20 8.297 -10.703 -12.011 159 H VAL 21 HN VAL 21 0.972 -9.210 -7.327 160 HA VAL 21 HA VAL 21 1.493 -11.471 -5.556 161 HB VAL 21 HB VAL 21 -0.802 -11.481 -4.683 162 HG11 VAL 21 HG11 VAL 21 1.213 -10.219 -3.619 163 HG12 VAL 21 HG12 VAL 21 -0.408 -10.005 -2.956 164 HG13 VAL 21 HG13 VAL 21 0.279 -8.777 -4.018 165 HG21 VAL 21 HG21 VAL 21 -1.161 -8.682 -5.692 166 HG22 VAL 21 HG22 VAL 21 -2.373 -9.811 -5.089 167 HG23 VAL 21 HG23 VAL 21 -1.640 -10.067 -6.673 168 H SER 22 HN SER 22 0.756 -13.393 -6.341 169 HA SER 22 HA SER 22 -0.849 -13.316 -8.805 170 HB2 SER 22 HB2 SER 22 0.541 -15.386 -9.470 171 HB3 SER 22 HB1 SER 22 1.307 -13.804 -9.609 172 HG SER 22 HG SER 22 2.004 -15.918 -8.073 173 H TYR 23 HN TYR 23 0.341 -15.489 -6.239 174 HA TYR 23 HA TYR 23 -1.634 -17.467 -6.644 175 HB2 TYR 23 HB2 TYR 23 -0.104 -16.914 -4.099 176 HB3 TYR 23 HB1 TYR 23 -0.860 -18.433 -4.571 177 HD1 TYR 23 HD1 TYR 23 0.102 -18.126 -7.545 178 HD2 TYR 23 HD2 TYR 23 2.068 -17.951 -3.778 179 HE1 TYR 23 HE1 TYR 23 2.198 -18.837 -8.614 180 HE2 TYR 23 HE2 TYR 23 4.173 -18.658 -4.836 181 HH TYR 23 HH TYR 23 5.203 -18.618 -7.095 182 H ALA 24 HN ALA 24 -1.362 -14.952 -4.118 183 HA ALA 24 HA ALA 24 -2.900 -14.233 -2.574 184 HB1 ALA 24 HB1 ALA 24 -4.703 -13.091 -3.522 185 HB2 ALA 24 HB2 ALA 24 -4.865 -14.251 -4.840 186 HB3 ALA 24 HB3 ALA 24 -3.501 -13.133 -4.812 187 H ARG 25 HN ARG 25 -3.250 -15.883 -1.154 188 HA ARG 25 HA ARG 25 -4.928 -18.120 -1.777 189 HB2 ARG 25 HB2 ARG 25 -3.326 -17.206 0.540 190 HB3 ARG 25 HB1 ARG 25 -4.690 -18.253 0.905 191 HG2 ARG 25 HG2 ARG 25 -2.668 -19.550 0.643 192 HG3 ARG 25 HG1 ARG 25 -3.813 -19.931 -0.644 193 HD2 ARG 25 HD2 ARG 25 -2.577 -18.292 -2.091 194 HD3 ARG 25 HD1 ARG 25 -1.360 -18.193 -0.819 195 HE ARG 25 HE ARG 25 -0.588 -20.275 -1.425 196 HH11 ARG 25 HH11 ARG 25 -3.624 -19.636 -3.006 197 HH12 ARG 25 HH12 ARG 25 -3.513 -21.007 -4.059 198 HH21 ARG 25 HH21 ARG 25 -0.433 -22.085 -2.808 199 HH22 ARG 25 HH22 ARG 25 -1.699 -22.400 -3.946 200 H VAL 26 HN VAL 26 -5.781 -15.026 -1.289 201 HA VAL 26 HA VAL 26 -8.322 -15.805 -0.020 202 HB VAL 26 HB VAL 26 -8.466 -13.770 1.192 203 HG11 VAL 26 HG11 VAL 26 -5.584 -14.467 1.589 204 HG12 VAL 26 HG12 VAL 26 -6.848 -15.638 1.964 205 HG13 VAL 26 HG13 VAL 26 -6.817 -14.080 2.789 206 HG21 VAL 26 HG21 VAL 26 -7.571 -12.257 -0.486 207 HG22 VAL 26 HG22 VAL 26 -5.949 -12.901 -0.227 208 HG23 VAL 26 HG23 VAL 26 -6.760 -12.006 1.059 209 H SER 27 HN SER 27 -10.134 -15.189 -1.047 210 HA SER 27 HA SER 27 -10.104 -14.320 -3.686 211 HB2 SER 27 HB2 SER 27 -12.044 -15.181 -1.874 212 HB3 SER 27 HB1 SER 27 -12.557 -13.554 -2.321 213 HG SER 27 HG SER 27 -13.391 -15.082 -3.769 214 H GLU 28 HN GLU 28 -10.534 -12.481 -0.697 215 HA GLU 28 HA GLU 28 -10.148 -10.017 -2.260 216 HB2 GLU 28 HB2 GLU 28 -12.477 -10.376 -1.242 217 HB3 GLU 28 HB1 GLU 28 -11.704 -10.129 0.317 218 HG2 GLU 28 HG2 GLU 28 -10.797 -7.967 -1.001 219 HG3 GLU 28 HG1 GLU 28 -12.349 -8.198 -1.807 220 H PHE 29 HN PHE 29 -8.661 -8.584 -1.511 221 HA PHE 29 HA PHE 29 -6.868 -9.553 0.545 222 HB2 PHE 29 HB2 PHE 29 -6.549 -6.930 -0.882 223 HB3 PHE 29 HB1 PHE 29 -5.306 -8.024 -0.279 224 HD1 PHE 29 HD2 PHE 29 -6.672 -10.543 -1.456 225 HD2 PHE 29 HD1 PHE 29 -5.600 -6.763 -3.095 226 HE1 PHE 29 HE2 PHE 29 -6.483 -11.570 -3.683 227 HE2 PHE 29 HE1 PHE 29 -5.409 -7.783 -5.328 228 HZ PHE 29 HZ PHE 29 -5.850 -10.189 -5.623 229 H ASP 30 HN ASP 30 -6.040 -8.025 2.206 230 HA ASP 30 HA ASP 30 -8.270 -6.455 3.313 231 HB2 ASP 30 HB2 ASP 30 -6.348 -8.333 4.499 232 HB3 ASP 30 HB1 ASP 30 -6.539 -6.838 5.410 233 H VAL 31 HN VAL 31 -7.996 -4.347 2.986 234 HA VAL 31 HA VAL 31 -5.277 -3.241 3.243 235 HB VAL 31 HB VAL 31 -7.487 -1.927 1.683 236 HG11 VAL 31 HG11 VAL 31 -5.977 -0.356 1.200 237 HG12 VAL 31 HG12 VAL 31 -4.731 -1.550 0.836 238 HG13 VAL 31 HG13 VAL 31 -5.008 -1.043 2.503 239 HG21 VAL 31 HG21 VAL 31 -7.358 -3.785 0.377 240 HG22 VAL 31 HG22 VAL 31 -5.720 -4.178 0.902 241 HG23 VAL 31 HG23 VAL 31 -5.983 -2.898 -0.282 242 H TYR 32 HN TYR 32 -5.015 -2.119 5.039 243 HA TYR 32 HA TYR 32 -7.268 -0.505 6.041 244 HB2 TYR 32 HB2 TYR 32 -5.203 -2.010 7.661 245 HB3 TYR 32 HB1 TYR 32 -6.388 -0.896 8.334 246 HD1 TYR 32 HD1 TYR 32 -8.741 -1.511 8.463 247 HD2 TYR 32 HD2 TYR 32 -5.858 -4.209 6.878 248 HE1 TYR 32 HE1 TYR 32 -10.361 -3.350 8.663 249 HE2 TYR 32 HE2 TYR 32 -7.470 -6.055 7.072 250 HH TYR 32 HH TYR 32 -10.806 -5.486 8.057 251 H PHE 33 HN PHE 33 -6.841 1.592 5.913 252 HA PHE 33 HA PHE 33 -4.075 2.489 6.358 253 HB2 PHE 33 HB2 PHE 33 -4.418 4.263 4.678 254 HB3 PHE 33 HB1 PHE 33 -4.547 2.654 3.974 255 HD1 PHE 33 HD2 PHE 33 -7.082 1.715 4.068 256 HD2 PHE 33 HD1 PHE 33 -5.927 5.810 3.954 257 HE1 PHE 33 HE2 PHE 33 -9.278 2.306 3.129 258 HE2 PHE 33 HE1 PHE 33 -8.121 6.406 3.013 259 HZ PHE 33 HZ PHE 33 -9.799 4.654 2.598 260 H GLU 34 HN GLU 34 -3.889 3.839 8.003 261 HA GLU 34 HA GLU 34 -6.093 5.661 8.624 262 HB2 GLU 34 HB2 GLU 34 -5.340 5.027 11.136 263 HB3 GLU 34 HB1 GLU 34 -6.686 4.265 10.301 264 HG2 GLU 34 HG2 GLU 34 -5.652 2.288 10.176 265 HG3 GLU 34 HG1 GLU 34 -4.092 3.013 9.793 266 H GLY 35 HN GLY 35 -5.324 7.654 8.700 267 HA2 GLY 35 HA2 GLY 35 -3.957 9.445 9.112 268 HA3 GLY 35 HA1 GLY 35 -3.189 8.458 10.344 269 H SER 36 HN SER 36 -1.523 6.899 9.560 270 HA SER 36 HA SER 36 -0.292 7.525 7.012 271 HB2 SER 36 HB2 SER 36 1.636 7.680 9.249 272 HB3 SER 36 HB1 SER 36 1.569 8.606 7.750 273 HG SER 36 HG SER 36 1.128 9.874 9.629 274 H ASP 37 HN ASP 37 -1.513 5.234 8.413 275 HA ASP 37 HA ASP 37 0.787 3.390 8.347 276 HB2 ASP 37 HB2 ASP 37 -1.729 3.302 10.014 277 HB3 ASP 37 HB1 ASP 37 -0.698 1.892 9.785 278 H PHE 38 HN PHE 38 0.740 1.837 6.843 279 HA PHE 38 HA PHE 38 -1.826 1.294 5.501 280 HB2 PHE 38 HB2 PHE 38 -0.349 2.620 4.057 281 HB3 PHE 38 HB1 PHE 38 0.921 1.416 4.236 282 HD1 PHE 38 HD2 PHE 38 -2.569 1.834 3.026 283 HD2 PHE 38 HD1 PHE 38 1.081 -0.337 2.732 284 HE1 PHE 38 HE2 PHE 38 -3.451 0.625 1.073 285 HE2 PHE 38 HE1 PHE 38 0.208 -1.547 0.777 286 HZ PHE 38 HZ PHE 38 -2.061 -1.068 -0.055 287 H LYS 39 HN LYS 39 -2.458 -0.681 6.036 288 HA LYS 39 HA LYS 39 -0.428 -2.811 6.199 289 HB2 LYS 39 HB2 LYS 39 -3.112 -2.905 7.561 290 HB3 LYS 39 HB1 LYS 39 -1.690 -3.887 7.883 291 HG2 LYS 39 HG2 LYS 39 -0.586 -2.126 8.974 292 HG3 LYS 39 HG1 LYS 39 -1.710 -0.921 8.341 293 HD2 LYS 39 HD2 LYS 39 -3.219 -1.303 9.966 294 HD3 LYS 39 HD1 LYS 39 -2.972 -3.050 9.915 295 HE2 LYS 39 HE2 LYS 39 -1.143 -2.952 11.368 296 HE3 LYS 39 HE1 LYS 39 -0.916 -1.223 11.109 297 HZ1 LYS 39 HZ1 LYS 39 -2.984 -0.814 12.300 298 HZ2 LYS 39 HZ2 LYS 39 -1.890 -1.664 13.271 299 HZ3 LYS 39 HZ3 LYS 39 -3.191 -2.475 12.555 300 H PHE 40 HN PHE 40 -0.606 -4.445 4.799 301 HA PHE 40 HA PHE 40 -3.190 -4.871 3.458 302 HB2 PHE 40 HB2 PHE 40 -1.672 -3.668 1.948 303 HB3 PHE 40 HB1 PHE 40 -0.460 -4.925 2.160 304 HD1 PHE 40 HD2 PHE 40 -3.684 -4.082 0.641 305 HD2 PHE 40 HD1 PHE 40 -0.655 -7.042 1.055 306 HE1 PHE 40 HE2 PHE 40 -4.643 -5.322 -1.255 307 HE2 PHE 40 HE1 PHE 40 -1.606 -8.288 -0.843 308 HZ PHE 40 HZ PHE 40 -3.604 -7.428 -2.000 309 H TYR 41 HN TYR 41 -3.915 -6.839 3.975 310 HA TYR 41 HA TYR 41 -1.946 -9.020 4.219 311 HB2 TYR 41 HB2 TYR 41 -4.599 -8.970 5.644 312 HB3 TYR 41 HB1 TYR 41 -3.218 -10.014 5.952 313 HD1 TYR 41 HD1 TYR 41 -4.520 -6.580 6.324 314 HD2 TYR 41 HD2 TYR 41 -1.450 -9.326 7.388 315 HE1 TYR 41 HE1 TYR 41 -3.747 -5.030 8.069 316 HE2 TYR 41 HE2 TYR 41 -0.668 -7.785 9.137 317 HH TYR 41 HH TYR 41 -2.011 -5.769 10.547 318 H ALA 42 HN ALA 42 -2.193 -10.690 2.896 319 HA ALA 42 HA ALA 42 -4.835 -11.226 1.735 320 HB1 ALA 42 HB1 ALA 42 -3.398 -9.929 0.124 321 HB2 ALA 42 HB2 ALA 42 -3.981 -11.486 -0.468 322 HB3 ALA 42 HB3 ALA 42 -2.314 -11.321 0.088 323 H LYS 43 HN LYS 43 -3.468 -12.452 3.899 324 HA LYS 43 HA LYS 43 -3.501 -14.582 4.689 325 HB2 LYS 43 HB2 LYS 43 -4.708 -15.569 2.919 326 HB3 LYS 43 HB1 LYS 43 -3.372 -15.423 1.802 327 HG2 LYS 43 HG2 LYS 43 -3.579 -17.708 2.486 328 HG3 LYS 43 HG1 LYS 43 -2.097 -17.042 3.179 329 HD2 LYS 43 HD2 LYS 43 -3.114 -18.268 4.916 330 HD3 LYS 43 HD1 LYS 43 -3.459 -16.574 5.269 331 HE2 LYS 43 HE2 LYS 43 -5.688 -16.782 4.438 332 HE3 LYS 43 HE1 LYS 43 -5.360 -18.394 3.804 333 HZ1 LYS 43 HZ1 LYS 43 -6.609 -18.229 5.991 334 HZ2 LYS 43 HZ2 LYS 43 -5.133 -17.789 6.688 335 HZ3 LYS 43 HZ3 LYS 43 -5.296 -19.296 5.939 336 HA PRO 44 HA PRO 44 0.965 -15.667 4.098 337 HB2 PRO 44 HB2 PRO 44 2.126 -16.150 1.775 338 HB3 PRO 44 HB1 PRO 44 0.896 -17.259 2.386 339 HG2 PRO 44 HG2 PRO 44 0.629 -15.091 0.337 340 HG3 PRO 44 HG1 PRO 44 0.007 -16.753 0.288 341 HD2 PRO 44 HD2 PRO 44 -1.481 -14.556 1.033 342 HD3 PRO 44 HD1 PRO 44 -1.826 -16.225 1.519 343 H TYR 45 HN TYR 45 -0.123 -13.202 1.970 344 HA TYR 45 HA TYR 45 2.478 -11.867 2.044 345 HB2 TYR 45 HB2 TYR 45 0.046 -11.413 0.317 346 HB3 TYR 45 HB1 TYR 45 1.476 -10.385 0.282 347 HD1 TYR 45 HD1 TYR 45 3.745 -11.689 -0.055 348 HD2 TYR 45 HD2 TYR 45 -0.075 -13.170 -1.189 349 HE1 TYR 45 HE1 TYR 45 4.817 -13.220 -1.642 350 HE2 TYR 45 HE2 TYR 45 0.988 -14.705 -2.790 351 HH TYR 45 HH TYR 45 2.904 -15.282 -3.795 352 H PHE 46 HN PHE 46 2.784 -10.373 3.552 353 HA PHE 46 HA PHE 46 0.507 -8.686 4.349 354 HB2 PHE 46 HB2 PHE 46 2.230 -8.702 6.536 355 HB3 PHE 46 HB1 PHE 46 0.677 -9.520 6.420 356 HD1 PHE 46 HD2 PHE 46 0.554 -11.901 5.976 357 HD2 PHE 46 HD1 PHE 46 4.298 -9.915 6.349 358 HE1 PHE 46 HE2 PHE 46 1.676 -14.077 6.243 359 HE2 PHE 46 HE1 PHE 46 5.428 -12.084 6.615 360 HZ PHE 46 HZ PHE 46 4.117 -14.169 6.563 361 H LEU 47 HN LEU 47 0.853 -6.633 3.858 362 HA LEU 47 HA LEU 47 3.637 -5.684 3.703 363 HB2 LEU 47 HB2 LEU 47 1.616 -5.656 1.768 364 HB3 LEU 47 HB1 LEU 47 1.749 -4.000 2.322 365 HG LEU 47 HG LEU 47 3.830 -5.692 0.976 366 HD11 LEU 47 HD11 LEU 47 3.576 -4.295 -0.757 367 HD12 LEU 47 HD12 LEU 47 3.462 -2.873 0.280 368 HD13 LEU 47 HD13 LEU 47 2.042 -3.882 0.008 369 HD21 LEU 47 HD21 LEU 47 4.219 -3.339 2.782 370 HD22 LEU 47 HD22 LEU 47 5.309 -3.616 1.424 371 HD23 LEU 47 HD23 LEU 47 5.143 -4.838 2.685 372 H ARG 48 HN ARG 48 4.148 -4.445 5.363 373 HA ARG 48 HA ARG 48 2.129 -2.552 6.363 374 HB2 ARG 48 HB2 ARG 48 2.513 -4.099 8.125 375 HB3 ARG 48 HB1 ARG 48 4.250 -4.091 7.855 376 HG2 ARG 48 HG2 ARG 48 3.731 -1.464 8.423 377 HG3 ARG 48 HG1 ARG 48 2.593 -2.319 9.465 378 HD2 ARG 48 HD2 ARG 48 5.114 -3.650 9.559 379 HD3 ARG 48 HD1 ARG 48 5.368 -1.929 9.844 380 HE ARG 48 HE ARG 48 4.174 -2.095 11.820 381 HH11 ARG 48 HH11 ARG 48 4.010 -5.082 10.038 382 HH12 ARG 48 HH12 ARG 48 3.347 -5.985 11.359 383 HH21 ARG 48 HH21 ARG 48 3.303 -3.275 13.568 384 HH22 ARG 48 HH22 ARG 48 2.944 -4.958 13.366 385 H LEU 49 HN LEU 49 2.627 -0.600 5.597 386 HA LEU 49 HA LEU 49 5.452 0.227 5.668 387 HB2 LEU 49 HB2 LEU 49 3.394 0.914 3.575 388 HB3 LEU 49 HB1 LEU 49 5.013 1.582 3.649 389 HG LEU 49 HG LEU 49 4.425 -1.359 3.322 390 HD11 LEU 49 HD11 LEU 49 4.196 0.749 1.418 391 HD12 LEU 49 HD12 LEU 49 3.978 -0.986 1.186 392 HD13 LEU 49 HD13 LEU 49 5.576 -0.265 0.993 393 HD21 LEU 49 HD21 LEU 49 6.906 0.305 3.363 394 HD22 LEU 49 HD22 LEU 49 6.854 -1.183 2.418 395 HD23 LEU 49 HD23 LEU 49 6.573 -1.233 4.158 396 H THR 50 HN THR 50 5.906 2.114 6.608 397 HA THR 50 HA THR 50 3.719 3.585 7.846 398 HB THR 50 HB THR 50 6.685 4.062 8.168 399 HG1 THR 50 HG1 THR 50 5.671 2.869 10.310 400 HG21 THR 50 HG21 THR 50 5.324 4.689 10.511 401 HG22 THR 50 HG22 THR 50 4.299 5.315 9.219 402 HG23 THR 50 HG23 THR 50 5.983 5.826 9.336 403 H LEU 51 HN LEU 51 2.790 5.031 6.533 404 HA LEU 51 HA LEU 51 4.075 6.350 4.397 405 HB2 LEU 51 HB2 LEU 51 1.618 7.334 5.828 406 HB3 LEU 51 HB1 LEU 51 2.071 7.604 4.156 407 HG LEU 51 HG LEU 51 1.499 4.842 5.188 408 HD11 LEU 51 HD11 LEU 51 -0.364 6.963 5.062 409 HD12 LEU 51 HD12 LEU 51 -0.669 5.252 5.361 410 HD13 LEU 51 HD13 LEU 51 -0.701 5.878 3.713 411 HD21 LEU 51 HD21 LEU 51 1.148 5.973 2.425 412 HD22 LEU 51 HD22 LEU 51 1.211 4.282 2.917 413 HD23 LEU 51 HD23 LEU 51 2.667 5.274 2.982 414 HA PRO 52 HA PRO 52 6.306 9.496 6.577 415 HB2 PRO 52 HB2 PRO 52 6.807 11.115 4.449 416 HB3 PRO 52 HB1 PRO 52 7.674 9.601 4.737 417 HG2 PRO 52 HG2 PRO 52 5.368 10.147 2.905 418 HG3 PRO 52 HG1 PRO 52 6.839 9.203 2.600 419 HD2 PRO 52 HD2 PRO 52 4.486 8.035 3.209 420 HD3 PRO 52 HD1 PRO 52 6.039 7.355 3.734 421 H GLY 53 HN GLY 53 3.454 10.136 4.662 422 HA2 GLY 53 HA2 GLY 53 3.145 12.724 6.053 423 HA3 GLY 53 HA1 GLY 53 2.453 12.362 4.480 424 H ARG 54 HN ARG 54 0.316 12.593 4.864 425 HA ARG 54 HA ARG 54 -0.864 10.722 6.789 426 HB2 ARG 54 HB2 ARG 54 -2.231 13.329 6.507 427 HB3 ARG 54 HB1 ARG 54 -2.067 12.289 7.914 428 HG2 ARG 54 HG2 ARG 54 0.494 13.131 7.571 429 HG3 ARG 54 HG1 ARG 54 -0.422 14.540 7.030 430 HD2 ARG 54 HD2 ARG 54 -1.788 14.183 9.198 431 HD3 ARG 54 HD1 ARG 54 -0.415 13.203 9.711 432 HE ARG 54 HE ARG 54 0.832 15.119 9.955 433 HH11 ARG 54 HH11 ARG 54 -2.112 15.848 8.242 434 HH12 ARG 54 HH12 ARG 54 -1.893 17.564 8.332 435 HH21 ARG 54 HH21 ARG 54 1.128 17.378 10.081 436 HH22 ARG 54 HH22 ARG 54 -0.051 18.434 9.377 437 H ILE 55 HN ILE 55 -2.450 9.550 5.972 438 HA ILE 55 HA ILE 55 -3.749 10.464 3.487 439 HB ILE 55 HB ILE 55 -3.124 7.649 4.393 440 HG12 ILE 55 HG12 ILE 55 -1.190 8.396 3.369 441 HG13 ILE 55 HG11 ILE 55 -2.062 7.736 1.989 442 HG21 ILE 55 HG21 ILE 55 -4.254 7.974 1.723 443 HG22 ILE 55 HG22 ILE 55 -5.377 8.387 3.018 444 HG23 ILE 55 HG23 ILE 55 -4.628 6.792 2.976 445 HD11 ILE 55 HD11 ILE 55 -2.899 10.067 1.554 446 HD12 ILE 55 HD12 ILE 55 -1.174 9.806 1.305 447 HD13 ILE 55 HD13 ILE 55 -1.741 10.616 2.765 448 H VAL 56 HN VAL 56 -5.887 10.829 3.642 449 HA VAL 56 HA VAL 56 -7.248 10.626 6.076 450 HB VAL 56 HB VAL 56 -7.865 12.147 4.187 451 HG11 VAL 56 HG11 VAL 56 -7.940 9.902 2.674 452 HG12 VAL 56 HG12 VAL 56 -8.720 11.424 2.243 453 HG13 VAL 56 HG13 VAL 56 -9.655 10.141 3.011 454 HG21 VAL 56 HG21 VAL 56 -10.143 12.249 4.784 455 HG22 VAL 56 HG22 VAL 56 -9.319 11.580 6.192 456 HG23 VAL 56 HG23 VAL 56 -10.217 10.517 5.109 457 H GLU 57 HN GLU 57 -9.140 9.397 6.616 458 HA GLU 57 HA GLU 57 -9.139 6.698 5.437 459 HB2 GLU 57 HB2 GLU 57 -10.013 6.212 7.943 460 HB3 GLU 57 HB1 GLU 57 -8.326 6.092 7.462 461 HG2 GLU 57 HG2 GLU 57 -7.725 7.961 8.594 462 HG3 GLU 57 HG1 GLU 57 -9.290 8.739 8.365 463 H ASN 58 HN ASN 58 -11.058 5.860 4.887 464 HA ASN 58 HA ASN 58 -13.539 6.645 6.035 465 HB2 ASN 58 HB2 ASN 58 -12.571 8.266 3.895 466 HB3 ASN 58 HB1 ASN 58 -13.948 7.342 3.300 467 HD21 ASN 58 HD21 ASN 58 -13.059 10.139 4.755 468 HD22 ASN 58 HD22 ASN 58 -14.548 10.555 5.526 469 H GLY 59 HN GLY 59 -11.810 5.163 3.360 470 HA2 GLY 59 HA2 GLY 59 -12.132 2.764 3.028 471 HA3 GLY 59 HA1 GLY 59 -13.841 3.019 3.348 472 H SER 60 HN SER 60 -13.291 5.607 1.621 473 HA SER 60 HA SER 60 -14.425 4.554 -0.756 474 HB2 SER 60 HB2 SER 60 -13.918 7.137 0.361 475 HB3 SER 60 HB1 SER 60 -13.294 7.108 -1.289 476 HG SER 60 HG SER 60 -15.845 7.216 -0.442 477 H GLU 61 HN GLU 61 -11.400 6.399 -0.491 478 HA GLU 61 HA GLU 61 -9.620 6.433 -1.989 479 HB2 GLU 61 HB2 GLU 61 -8.134 4.730 -1.421 480 HB3 GLU 61 HB1 GLU 61 -9.223 4.782 -0.043 481 HG2 GLU 61 HG2 GLU 61 -10.519 2.934 -1.300 482 HG3 GLU 61 HG1 GLU 61 -9.022 2.740 -2.211 483 H GLN 62 HN GLN 62 -8.508 4.145 -3.335 484 HA GLN 62 HA GLN 62 -10.529 3.432 -5.322 485 HB2 GLN 62 HB2 GLN 62 -8.039 5.026 -5.873 486 HB3 GLN 62 HB1 GLN 62 -8.763 4.019 -7.119 487 HG2 GLN 62 HG2 GLN 62 -10.792 5.273 -7.053 488 HG3 GLN 62 HG1 GLN 62 -10.245 6.177 -5.642 489 HE21 GLN 62 HE21 GLN 62 -8.121 7.354 -6.005 490 HE22 GLN 62 HE22 GLN 62 -7.963 8.196 -7.505 491 H GLY 63 HN GLY 63 -10.359 1.356 -5.868 492 HA2 GLY 63 HA2 GLY 63 -7.736 0.046 -5.505 493 HA3 GLY 63 HA1 GLY 63 -9.237 -0.715 -5.000 494 H SER 64 HN SER 64 -7.023 -1.240 -7.092 495 HA SER 64 HA SER 64 -8.844 -2.307 -9.075 496 HB2 SER 64 HB2 SER 64 -7.649 -1.313 -10.987 497 HB3 SER 64 HB1 SER 64 -8.382 -0.070 -9.975 498 HG SER 64 HG SER 64 -5.941 -0.095 -10.724 499 H TYR 65 HN TYR 65 -8.253 -4.365 -9.098 500 HA TYR 65 HA TYR 65 -5.429 -5.066 -8.786 501 HB2 TYR 65 HB2 TYR 65 -7.045 -6.220 -7.333 502 HB3 TYR 65 HB1 TYR 65 -7.892 -6.826 -8.752 503 HD1 TYR 65 HD1 TYR 65 -4.325 -6.691 -9.099 504 HD2 TYR 65 HD2 TYR 65 -7.529 -9.087 -7.656 505 HE1 TYR 65 HE1 TYR 65 -2.857 -8.662 -9.132 506 HE2 TYR 65 HE2 TYR 65 -6.069 -11.066 -7.683 507 HH TYR 65 HH TYR 65 -3.255 -11.278 -7.534 508 H ASP 66 HN ASP 66 -4.336 -5.088 -10.645 509 HA ASP 66 HA ASP 66 -5.657 -5.812 -13.127 510 HB2 ASP 66 HB2 ASP 66 -3.279 -4.318 -12.358 511 HB3 ASP 66 HB1 ASP 66 -2.957 -5.435 -13.680 512 H ALA 67 HN ALA 67 -5.999 -7.981 -13.191 513 HA ALA 67 HA ALA 67 -4.201 -9.939 -12.237 514 HB1 ALA 67 HB1 ALA 67 -6.517 -10.086 -14.148 515 HB2 ALA 67 HB2 ALA 67 -6.443 -10.619 -12.469 516 HB3 ALA 67 HB3 ALA 67 -5.559 -11.501 -13.714 517 H ASP 68 HN ASP 68 -4.819 -8.664 -15.479 518 HA ASP 68 HA ASP 68 -3.116 -10.266 -16.954 519 HB2 ASP 68 HB2 ASP 68 -4.358 -7.647 -17.299 520 HB3 ASP 68 HB1 ASP 68 -2.803 -7.765 -18.119 521 H LYS 69 HN LYS 69 -2.330 -7.148 -15.414 522 HA LYS 69 HA LYS 69 0.456 -7.347 -16.011 523 HB2 LYS 69 HB2 LYS 69 -0.756 -5.629 -13.854 524 HB3 LYS 69 HB1 LYS 69 0.714 -5.340 -14.773 525 HG2 LYS 69 HG2 LYS 69 -0.806 -5.182 -16.817 526 HG3 LYS 69 HG1 LYS 69 -2.135 -5.065 -15.661 527 HD2 LYS 69 HD2 LYS 69 0.204 -3.199 -15.999 528 HD3 LYS 69 HD1 LYS 69 -1.512 -2.840 -16.208 529 HE2 LYS 69 HE2 LYS 69 -1.303 -3.809 -13.607 530 HE3 LYS 69 HE1 LYS 69 0.114 -2.782 -13.814 531 HZ1 LYS 69 HZ1 LYS 69 -2.604 -2.035 -13.483 532 HZ2 LYS 69 HZ2 LYS 69 -1.986 -1.384 -14.917 533 HZ3 LYS 69 HZ3 LYS 69 -1.217 -1.066 -13.445 534 H GLY 70 HN GLY 70 -1.560 -8.708 -13.631 535 HA2 GLY 70 HA2 GLY 70 -1.103 -10.101 -11.856 536 HA3 GLY 70 HA1 GLY 70 0.551 -10.180 -12.447 537 H ILE 71 HN ILE 71 -1.198 -7.286 -11.435 538 HA ILE 71 HA ILE 71 0.357 -7.164 -8.969 539 HB ILE 71 HB ILE 71 0.319 -4.630 -10.495 540 HG12 ILE 71 HG12 ILE 71 1.021 -6.573 -12.091 541 HG13 ILE 71 HG11 ILE 71 2.027 -5.133 -12.000 542 HG21 ILE 71 HG21 ILE 71 1.827 -5.924 -8.354 543 HG22 ILE 71 HG22 ILE 71 1.510 -4.215 -8.648 544 HG23 ILE 71 HG23 ILE 71 2.830 -5.025 -9.492 545 HD11 ILE 71 HD11 ILE 71 3.741 -6.227 -11.009 546 HD12 ILE 71 HD12 ILE 71 3.025 -7.581 -11.883 547 HD13 ILE 71 HD13 ILE 71 2.683 -7.359 -10.168 548 H PHE 72 HN PHE 72 -0.464 -5.701 -7.409 549 HA PHE 72 HA PHE 72 -3.249 -4.885 -7.916 550 HB2 PHE 72 HB2 PHE 72 -3.229 -6.549 -6.216 551 HB3 PHE 72 HB1 PHE 72 -1.862 -5.801 -5.398 552 HD1 PHE 72 HD2 PHE 72 -5.354 -4.993 -6.430 553 HD2 PHE 72 HD1 PHE 72 -2.281 -4.550 -3.521 554 HE1 PHE 72 HE2 PHE 72 -6.912 -3.760 -4.979 555 HE2 PHE 72 HE1 PHE 72 -3.834 -3.317 -2.062 556 HZ PHE 72 HZ PHE 72 -6.154 -2.921 -2.792 557 H THR 73 HN THR 73 -3.651 -2.771 -7.960 558 HA THR 73 HA THR 73 -1.760 -0.952 -6.606 559 HB THR 73 HB THR 73 -3.429 -0.135 -8.971 560 HG1 THR 73 HG1 THR 73 -0.853 -1.352 -9.002 561 HG21 THR 73 HG21 THR 73 -0.954 1.141 -8.974 562 HG22 THR 73 HG22 THR 73 -1.439 1.092 -7.279 563 HG23 THR 73 HG23 THR 73 -2.502 1.827 -8.479 564 H ILE 74 HN ILE 74 -2.585 0.484 -5.170 565 HA ILE 74 HA ILE 74 -5.475 1.010 -5.220 566 HB ILE 74 HB ILE 74 -5.172 -0.809 -3.622 567 HG12 ILE 74 HG12 ILE 74 -5.657 1.070 -1.551 568 HG13 ILE 74 HG11 ILE 74 -6.290 1.766 -3.039 569 HG21 ILE 74 HG21 ILE 74 -3.323 -0.957 -2.408 570 HG22 ILE 74 HG22 ILE 74 -3.825 0.465 -1.495 571 HG23 ILE 74 HG23 ILE 74 -2.824 0.650 -2.934 572 HD11 ILE 74 HD11 ILE 74 -8.094 0.601 -2.203 573 HD12 ILE 74 HD12 ILE 74 -7.098 -0.736 -1.629 574 HD13 ILE 74 HD13 ILE 74 -7.406 -0.544 -3.355 575 H ARG 75 HN ARG 75 -5.765 3.140 -5.261 576 HA ARG 75 HA ARG 75 -3.703 4.935 -4.299 577 HB2 ARG 75 HB2 ARG 75 -6.342 5.891 -5.329 578 HB3 ARG 75 HB1 ARG 75 -4.744 6.594 -5.536 579 HG2 ARG 75 HG2 ARG 75 -4.182 4.692 -7.046 580 HG3 ARG 75 HG1 ARG 75 -5.865 4.176 -6.932 581 HD2 ARG 75 HD2 ARG 75 -5.256 5.579 -8.949 582 HD3 ARG 75 HD1 ARG 75 -6.641 6.127 -8.006 583 HE ARG 75 HE ARG 75 -4.123 7.340 -7.278 584 HH11 ARG 75 HH11 ARG 75 -6.961 7.528 -9.285 585 HH12 ARG 75 HH12 ARG 75 -6.826 9.236 -9.544 586 HH21 ARG 75 HH21 ARG 75 -3.931 9.592 -7.614 587 HH22 ARG 75 HH22 ARG 75 -5.102 10.408 -8.595 588 H LEU 76 HN LEU 76 -3.994 6.521 -2.710 589 HA LEU 76 HA LEU 76 -6.342 6.174 -0.980 590 HB2 LEU 76 HB2 LEU 76 -3.489 6.367 -0.026 591 HB3 LEU 76 HB1 LEU 76 -4.910 6.240 0.987 592 HG LEU 76 HG LEU 76 -4.241 4.098 -1.004 593 HD11 LEU 76 HD11 LEU 76 -2.263 4.377 0.377 594 HD12 LEU 76 HD12 LEU 76 -3.106 2.885 0.794 595 HD13 LEU 76 HD13 LEU 76 -3.252 4.301 1.836 596 HD21 LEU 76 HD21 LEU 76 -6.277 3.498 -0.264 597 HD22 LEU 76 HD22 LEU 76 -6.165 4.505 1.178 598 HD23 LEU 76 HD23 LEU 76 -5.390 2.923 1.147 599 HA PRO 77 HA PRO 77 -6.526 10.623 -1.615 600 HB2 PRO 77 HB2 PRO 77 -8.391 10.275 0.686 601 HB3 PRO 77 HB1 PRO 77 -8.630 11.146 -0.827 602 HG2 PRO 77 HG2 PRO 77 -9.782 8.793 -0.462 603 HG3 PRO 77 HG1 PRO 77 -9.050 9.191 -2.029 604 HD2 PRO 77 HD2 PRO 77 -8.001 7.444 0.164 605 HD3 PRO 77 HD1 PRO 77 -7.915 7.219 -1.596 606 H LYS 78 HN LYS 78 -5.760 12.444 -0.555 607 HA LYS 78 HA LYS 78 -4.233 11.908 1.882 608 HB2 LYS 78 HB2 LYS 78 -4.135 14.398 0.185 609 HB3 LYS 78 HB1 LYS 78 -2.950 13.849 1.362 610 HG2 LYS 78 HG2 LYS 78 -3.457 11.955 -0.809 611 HG3 LYS 78 HG1 LYS 78 -2.764 13.494 -1.322 612 HD2 LYS 78 HD2 LYS 78 -1.532 12.307 1.069 613 HD3 LYS 78 HD1 LYS 78 -1.319 11.381 -0.418 614 HE2 LYS 78 HE2 LYS 78 -0.830 13.966 -1.219 615 HE3 LYS 78 HE1 LYS 78 -0.132 13.915 0.400 616 HZ1 LYS 78 HZ1 LYS 78 1.597 12.830 -0.419 617 HZ2 LYS 78 HZ2 LYS 78 0.930 12.889 -1.971 618 HZ3 LYS 78 HZ3 LYS 78 0.597 11.575 -0.959 619 H GLU 79 HN GLU 79 -4.267 13.355 3.660 620 HA GLU 79 HA GLU 79 -6.913 14.336 4.258 621 HB2 GLU 79 HB2 GLU 79 -5.730 13.173 6.001 622 HB3 GLU 79 HB1 GLU 79 -4.347 14.247 5.850 623 HG2 GLU 79 HG2 GLU 79 -6.607 15.854 6.399 624 HG3 GLU 79 HG1 GLU 79 -6.632 14.494 7.519 625 H THR 80 HN THR 80 -4.073 15.614 2.923 626 HA THR 80 HA THR 80 -5.182 18.308 3.054 627 HB THR 80 HB THR 80 -2.345 17.658 3.875 628 HG1 THR 80 HG1 THR 80 -3.916 19.268 5.478 629 HG21 THR 80 HG21 THR 80 -3.682 20.261 3.200 630 HG22 THR 80 HG22 THR 80 -2.142 19.625 2.621 631 HG23 THR 80 HG23 THR 80 -2.294 20.189 4.286 632 HA PRO 81 HA PRO 81 -4.025 17.982 -1.224 633 HB2 PRO 81 HB2 PRO 81 -4.580 20.545 -1.930 634 HB3 PRO 81 HB1 PRO 81 -5.830 19.323 -1.670 635 HG2 PRO 81 HG2 PRO 81 -4.861 21.465 0.184 636 HG3 PRO 81 HG1 PRO 81 -6.523 20.945 -0.154 637 HD2 PRO 81 HD2 PRO 81 -5.177 20.152 2.054 638 HD3 PRO 81 HD1 PRO 81 -6.367 19.114 1.242 639 H GLY 82 HN GLY 82 -2.343 18.545 -2.574 640 HA2 GLY 82 HA2 GLY 82 -0.373 19.541 -3.256 641 HA3 GLY 82 HA1 GLY 82 -0.558 20.713 -1.964 642 H GLN 83 HN GLN 83 -0.873 17.766 -0.544 643 HA GLN 83 HA GLN 83 1.734 17.914 0.636 644 HB2 GLN 83 HB2 GLN 83 -0.028 17.261 2.080 645 HB3 GLN 83 HB1 GLN 83 -0.597 16.036 0.955 646 HG2 GLN 83 HG2 GLN 83 0.487 14.969 2.787 647 HG3 GLN 83 HG1 GLN 83 1.479 14.766 1.345 648 HE21 GLN 83 HE21 GLN 83 1.108 16.707 4.266 649 HE22 GLN 83 HE22 GLN 83 2.785 17.077 4.452 650 H HIS 84 HN HIS 84 3.519 16.822 0.096 651 HA HIS 84 HA HIS 84 3.260 14.616 -1.840 652 HB2 HIS 84 HB2 HIS 84 4.209 16.602 -2.914 653 HB3 HIS 84 HB1 HIS 84 5.457 16.690 -1.675 654 HD1 HIS 84 HD1 HIS 84 7.232 16.486 -3.601 655 HD2 HIS 84 HD2 HIS 84 4.783 13.164 -3.108 656 HE1 HIS 84 HE1 HIS 84 8.350 14.631 -4.879 657 HE2 HIS 84 HE2 HIS 84 6.898 12.608 -4.489 658 H PHE 85 HN PHE 85 3.805 12.745 -0.933 659 HA PHE 85 HA PHE 85 5.334 12.614 1.480 660 HB2 PHE 85 HB2 PHE 85 4.228 10.514 -0.382 661 HB3 PHE 85 HB1 PHE 85 5.156 10.112 1.052 662 HD1 PHE 85 HD2 PHE 85 2.985 13.016 1.196 663 HD2 PHE 85 HD1 PHE 85 3.225 8.820 1.860 664 HE1 PHE 85 HE2 PHE 85 0.930 13.115 2.540 665 HE2 PHE 85 HE1 PHE 85 1.166 8.914 3.204 666 HZ PHE 85 HZ PHE 85 0.018 11.063 3.547 667 H GLU 86 HN GLU 86 7.342 13.493 0.982 668 HA GLU 86 HA GLU 86 8.941 12.767 -1.201 669 HB2 GLU 86 HB2 GLU 86 9.184 14.388 1.171 670 HB3 GLU 86 HB1 GLU 86 10.669 13.489 0.891 671 HG2 GLU 86 HG2 GLU 86 9.840 14.532 -1.598 672 HG3 GLU 86 HG1 GLU 86 9.717 15.830 -0.412 673 H GLY 87 HN GLY 87 11.038 11.671 -1.102 674 HA2 GLY 87 HA2 GLY 87 12.015 9.570 -1.002 675 HA3 GLY 87 HA1 GLY 87 12.140 10.032 0.686 676 H LEU 88 HN LEU 88 9.317 9.059 -1.262 677 HA LEU 88 HA LEU 88 8.177 7.500 0.769 678 HB2 LEU 88 HB2 LEU 88 7.702 8.013 -2.050 679 HB3 LEU 88 HB1 LEU 88 7.271 6.377 -1.595 680 HG LEU 88 HG LEU 88 6.181 8.927 -0.404 681 HD11 LEU 88 HD11 LEU 88 4.343 8.636 -1.668 682 HD12 LEU 88 HD12 LEU 88 4.419 6.878 -1.564 683 HD13 LEU 88 HD13 LEU 88 5.446 7.738 -2.711 684 HD21 LEU 88 HD21 LEU 88 5.928 7.695 1.452 685 HD22 LEU 88 HD22 LEU 88 6.243 6.179 0.607 686 HD23 LEU 88 HD23 LEU 88 4.635 6.900 0.555 687 H ASN 89 HN ASN 89 9.752 6.300 -2.236 688 HA ASN 89 HA ASN 89 10.134 3.718 -0.965 689 HB2 ASN 89 HB2 ASN 89 11.465 3.700 -3.437 690 HB3 ASN 89 HB1 ASN 89 9.893 3.001 -3.070 691 HD21 ASN 89 HD21 ASN 89 11.372 6.120 -3.870 692 HD22 ASN 89 HD22 ASN 89 10.098 6.653 -4.908 693 H MET 90 HN MET 90 11.588 6.382 -0.399 694 HA MET 90 HA MET 90 14.339 5.351 -0.562 695 HB2 MET 90 HB2 MET 90 13.494 8.197 0.020 696 HB3 MET 90 HB1 MET 90 15.114 7.622 -0.348 697 HG2 MET 90 HG2 MET 90 13.684 6.834 -2.548 698 HG3 MET 90 HG1 MET 90 12.939 8.376 -2.130 699 HE1 MET 90 HE1 MET 90 16.337 6.961 -4.045 700 HE2 MET 90 HE2 MET 90 15.724 8.245 -5.087 701 HE3 MET 90 HE3 MET 90 14.620 7.029 -4.444 702 H LEU 91 HN LEU 91 11.772 6.532 1.430 703 HA LEU 91 HA LEU 91 12.850 7.015 3.869 704 HB2 LEU 91 HB2 LEU 91 10.733 6.757 4.682 705 HB3 LEU 91 HB1 LEU 91 10.367 6.815 2.965 706 HG LEU 91 HG LEU 91 10.385 4.430 4.792 707 HD11 LEU 91 HD11 LEU 91 8.240 5.142 4.780 708 HD12 LEU 91 HD12 LEU 91 8.193 4.224 3.274 709 HD13 LEU 91 HD13 LEU 91 8.409 5.974 3.234 710 HD21 LEU 91 HD21 LEU 91 11.194 3.147 3.168 711 HD22 LEU 91 HD22 LEU 91 11.222 4.497 2.034 712 HD23 LEU 91 HD23 LEU 91 9.755 3.539 2.227 713 H THR 92 HN THR 92 12.655 5.497 5.853 714 HA THR 92 HA THR 92 13.895 2.909 5.168 715 HB THR 92 HB THR 92 14.739 3.338 7.718 716 HG1 THR 92 HG1 THR 92 14.778 5.874 6.409 717 HG21 THR 92 HG21 THR 92 16.901 4.068 6.665 718 HG22 THR 92 HG22 THR 92 16.051 4.119 5.121 719 HG23 THR 92 HG23 THR 92 16.204 2.594 5.992 720 H ALA 93 HN ALA 93 13.871 1.525 7.385 721 HA ALA 93 HA ALA 93 11.026 1.229 8.000 722 HB1 ALA 93 HB1 ALA 93 11.714 -0.989 8.922 723 HB2 ALA 93 HB2 ALA 93 13.353 -0.649 8.366 724 HB3 ALA 93 HB3 ALA 93 12.037 -0.781 7.200 725 H LEU 94 HN LEU 94 10.335 2.234 9.763 726 HA LEU 94 HA LEU 94 12.079 2.251 12.137 727 HB2 LEU 94 HB2 LEU 94 10.679 4.359 12.721 728 HB3 LEU 94 HB1 LEU 94 12.017 4.489 11.594 729 HG LEU 94 HG LEU 94 9.256 4.020 10.543 730 HD11 LEU 94 HD11 LEU 94 8.480 6.035 11.066 731 HD12 LEU 94 HD12 LEU 94 9.988 6.817 10.592 732 HD13 LEU 94 HD13 LEU 94 9.810 6.159 12.217 733 HD21 LEU 94 HD21 LEU 94 10.599 3.997 8.734 734 HD22 LEU 94 HD22 LEU 94 11.882 4.902 9.538 735 HD23 LEU 94 HD23 LEU 94 10.482 5.751 8.882 736 H LEU 95 HN LEU 95 11.292 1.248 13.855 737 HA LEU 95 HA LEU 95 8.469 0.473 13.862 738 HB2 LEU 95 HB2 LEU 95 10.917 -0.557 15.255 739 HB3 LEU 95 HB1 LEU 95 9.318 -0.960 15.851 740 HG LEU 95 HG LEU 95 8.766 -2.007 13.703 741 HD11 LEU 95 HD11 LEU 95 10.285 -0.535 12.356 742 HD12 LEU 95 HD12 LEU 95 10.352 -2.250 11.949 743 HD13 LEU 95 HD13 LEU 95 11.632 -1.524 12.920 744 HD21 LEU 95 HD21 LEU 95 9.606 -3.503 15.314 745 HD22 LEU 95 HD22 LEU 95 11.257 -2.921 15.114 746 HD23 LEU 95 HD23 LEU 95 10.495 -3.866 13.835 747 H ALA 96 HN ALA 96 7.044 1.203 15.337 748 HA ALA 96 HA ALA 96 7.968 2.494 17.769 749 HB1 ALA 96 HB1 ALA 96 7.113 4.008 15.468 750 HB2 ALA 96 HB2 ALA 96 7.798 4.568 16.994 751 HB3 ALA 96 HB3 ALA 96 6.060 4.304 16.852 Start of MODEL 19 1 H MET 1 H MET 1 9.730 -16.893 4.466 2 HA MET 1 HA MET 1 11.046 -16.587 2.454 3 HB2 MET 1 HB2 MET 1 8.209 -15.939 2.902 4 HB3 MET 1 HB1 MET 1 8.841 -15.397 1.353 5 HG2 MET 1 HG2 MET 1 9.549 -17.649 0.820 6 HG3 MET 1 HG1 MET 1 9.010 -18.213 2.401 7 HE1 MET 1 HE1 MET 1 8.456 -18.725 -0.850 8 HE2 MET 1 HE2 MET 1 7.740 -17.174 -1.289 9 HE3 MET 1 HE3 MET 1 6.743 -18.630 -1.257 10 H LEU 2 HN LEU 2 10.393 -14.769 0.512 11 HA LEU 2 HA LEU 2 11.797 -12.361 1.452 12 HB2 LEU 2 HB2 LEU 2 11.536 -12.876 -1.447 13 HB3 LEU 2 HB1 LEU 2 12.897 -12.251 -0.535 14 HG LEU 2 HG LEU 2 12.888 -14.807 0.342 15 HD11 LEU 2 HD11 LEU 2 12.243 -16.347 -1.245 16 HD12 LEU 2 HD12 LEU 2 12.275 -15.171 -2.557 17 HD13 LEU 2 HD13 LEU 2 10.964 -15.141 -1.378 18 HD21 LEU 2 HD21 LEU 2 14.238 -13.501 -1.991 19 HD22 LEU 2 HD22 LEU 2 14.587 -15.175 -1.558 20 HD23 LEU 2 HD23 LEU 2 14.889 -13.882 -0.397 21 H THR 3 HN THR 3 10.799 -10.452 1.420 22 HA THR 3 HA THR 3 8.055 -10.201 0.914 23 HB THR 3 HB THR 3 9.438 -8.683 2.377 24 HG1 THR 3 HG1 THR 3 7.902 -7.269 0.441 25 HG21 THR 3 HG21 THR 3 10.839 -7.087 1.539 26 HG22 THR 3 HG22 THR 3 9.975 -6.975 0.006 27 HG23 THR 3 HG23 THR 3 11.062 -8.330 0.310 28 HA PRO 4 HA PRO 4 7.681 -9.867 -3.470 29 HB2 PRO 4 HB2 PRO 4 5.603 -7.841 -2.818 30 HB3 PRO 4 HB1 PRO 4 5.483 -9.294 -3.816 31 HG2 PRO 4 HG2 PRO 4 4.413 -9.208 -1.370 32 HG3 PRO 4 HG1 PRO 4 5.174 -10.683 -1.991 33 HD2 PRO 4 HD2 PRO 4 6.199 -8.709 -0.006 34 HD3 PRO 4 HD1 PRO 4 6.432 -10.467 -0.075 35 H ALA 5 HN ALA 5 7.792 -8.239 -5.190 36 HA ALA 5 HA ALA 5 9.592 -6.092 -4.454 37 HB1 ALA 5 HB1 ALA 5 9.233 -5.778 -7.123 38 HB2 ALA 5 HB2 ALA 5 8.887 -7.498 -6.935 39 HB3 ALA 5 HB3 ALA 5 10.434 -6.846 -6.396 40 H PHE 6 HN PHE 6 7.402 -5.413 -3.232 41 HA PHE 6 HA PHE 6 5.402 -4.076 -4.663 42 HB2 PHE 6 HB2 PHE 6 4.734 -3.155 -2.567 43 HB3 PHE 6 HB1 PHE 6 5.335 -4.774 -2.240 44 HD1 PHE 6 HD2 PHE 6 7.423 -5.112 -1.053 45 HD2 PHE 6 HD1 PHE 6 5.916 -1.202 -1.794 46 HE1 PHE 6 HE2 PHE 6 8.978 -4.199 0.622 47 HE2 PHE 6 HE1 PHE 6 7.470 -0.282 -0.124 48 HZ PHE 6 HZ PHE 6 9.003 -1.781 1.088 49 H ASP 7 HN ASP 7 4.982 -1.726 -4.606 50 HA ASP 7 HA ASP 7 7.341 -0.022 -4.534 51 HB2 ASP 7 HB2 ASP 7 6.670 -1.088 -6.938 52 HB3 ASP 7 HB1 ASP 7 5.688 0.374 -6.952 53 H LEU 8 HN LEU 8 6.883 2.145 -4.191 54 HA LEU 8 HA LEU 8 4.055 2.735 -3.605 55 HB2 LEU 8 HB2 LEU 8 6.416 4.143 -2.384 56 HB3 LEU 8 HB1 LEU 8 4.748 4.176 -1.852 57 HG LEU 8 HG LEU 8 6.274 1.600 -1.817 58 HD11 LEU 8 HD11 LEU 8 6.301 3.640 0.398 59 HD12 LEU 8 HD12 LEU 8 7.659 3.308 -0.677 60 HD13 LEU 8 HD13 LEU 8 7.063 2.050 0.406 61 HD21 LEU 8 HD21 LEU 8 3.683 2.213 -1.275 62 HD22 LEU 8 HD22 LEU 8 4.411 2.334 0.326 63 HD23 LEU 8 HD23 LEU 8 4.550 0.837 -0.596 64 H SER 9 HN SER 9 3.113 4.435 -4.524 65 HA SER 9 HA SER 9 4.748 6.470 -5.844 66 HB2 SER 9 HB2 SER 9 4.268 5.088 -7.709 67 HB3 SER 9 HB1 SER 9 2.623 4.776 -7.156 68 HG SER 9 HG SER 9 3.585 6.818 -8.674 69 H GLN 10 HN GLN 10 4.001 8.469 -5.452 70 HA GLN 10 HA GLN 10 1.216 8.726 -4.559 71 HB2 GLN 10 HB2 GLN 10 1.770 9.889 -2.657 72 HB3 GLN 10 HB1 GLN 10 3.098 8.745 -2.746 73 HG2 GLN 10 HG2 GLN 10 3.274 11.529 -3.860 74 HG3 GLN 10 HG1 GLN 10 3.702 11.128 -2.199 75 HE21 GLN 10 HE21 GLN 10 4.567 10.808 -5.541 76 HE22 GLN 10 HE22 GLN 10 6.162 10.196 -5.283 77 H ASP 11 HN ASP 11 0.127 10.483 -5.161 78 HA ASP 11 HA ASP 11 1.482 12.373 -6.963 79 HB2 ASP 11 HB2 ASP 11 -1.026 10.887 -7.180 80 HB3 ASP 11 HB1 ASP 11 -1.240 12.615 -7.444 81 HA PRO 12 HA PRO 12 0.574 15.820 -4.412 82 HB2 PRO 12 HB2 PRO 12 -0.855 17.110 -6.669 83 HB3 PRO 12 HB1 PRO 12 0.533 17.680 -5.737 84 HG2 PRO 12 HG2 PRO 12 0.834 16.773 -8.226 85 HG3 PRO 12 HG1 PRO 12 2.044 16.433 -6.974 86 HD2 PRO 12 HD2 PRO 12 -0.074 14.648 -8.104 87 HD3 PRO 12 HD1 PRO 12 1.595 14.262 -7.633 88 H ASP 13 HN ASP 13 -1.990 13.942 -5.590 89 HA ASP 13 HA ASP 13 -3.818 15.311 -3.760 90 HB2 ASP 13 HB2 ASP 13 -4.680 14.261 -6.453 91 HB3 ASP 13 HB1 ASP 13 -5.666 15.135 -5.288 92 H PHE 14 HN PHE 14 -2.228 12.567 -4.365 93 HA PHE 14 HA PHE 14 -3.886 10.976 -2.684 94 HB2 PHE 14 HB2 PHE 14 -3.665 9.889 -5.488 95 HB3 PHE 14 HB1 PHE 14 -4.643 9.283 -4.163 96 HD1 PHE 14 HD2 PHE 14 -4.325 11.981 -6.655 97 HD2 PHE 14 HD1 PHE 14 -6.817 10.092 -3.767 98 HE1 PHE 14 HE2 PHE 14 -6.258 13.248 -7.497 99 HE2 PHE 14 HE1 PHE 14 -8.753 11.353 -4.605 100 HZ PHE 14 HZ PHE 14 -8.476 12.936 -6.473 101 H LEU 15 HN LEU 15 -3.093 8.683 -2.551 102 HA LEU 15 HA LEU 15 -0.275 8.386 -3.314 103 HB2 LEU 15 HB2 LEU 15 -0.119 9.087 -1.036 104 HB3 LEU 15 HB1 LEU 15 -1.437 8.040 -0.552 105 HG LEU 15 HG LEU 15 0.927 7.338 0.099 106 HD11 LEU 15 HD11 LEU 15 -0.434 5.206 -1.490 107 HD12 LEU 15 HD12 LEU 15 -1.229 5.908 -0.082 108 HD13 LEU 15 HD13 LEU 15 0.332 5.109 0.095 109 HD21 LEU 15 HD21 LEU 15 1.508 5.852 -2.227 110 HD22 LEU 15 HD22 LEU 15 2.455 7.146 -1.495 111 HD23 LEU 15 HD23 LEU 15 1.254 7.523 -2.730 112 H THR 16 HN THR 16 -0.385 6.647 -4.694 113 HA THR 16 HA THR 16 -2.236 4.495 -4.002 114 HB THR 16 HB THR 16 -0.716 4.909 -6.580 115 HG1 THR 16 HG1 THR 16 -2.894 6.197 -5.660 116 HG21 THR 16 HG21 THR 16 -2.278 2.746 -5.553 117 HG22 THR 16 HG22 THR 16 -1.445 2.876 -7.102 118 HG23 THR 16 HG23 THR 16 -3.105 3.454 -6.941 119 H ILE 17 HN ILE 17 -1.561 2.409 -3.746 120 HA ILE 17 HA ILE 17 1.350 2.018 -3.563 121 HB ILE 17 HB ILE 17 -0.738 0.529 -1.977 122 HG12 ILE 17 HG12 ILE 17 0.962 2.902 -1.163 123 HG13 ILE 17 HG11 ILE 17 -0.783 2.920 -1.400 124 HG21 ILE 17 HG21 ILE 17 1.493 -0.544 -2.370 125 HG22 ILE 17 HG22 ILE 17 1.088 -0.277 -0.674 126 HG23 ILE 17 HG23 ILE 17 2.221 0.801 -1.489 127 HD11 ILE 17 HD11 ILE 17 0.055 2.805 0.980 128 HD12 ILE 17 HD12 ILE 17 0.535 1.145 0.624 129 HD13 ILE 17 HD13 ILE 17 -1.161 1.616 0.509 130 H ALA 18 HN ALA 18 2.164 -0.079 -4.102 131 HA ALA 18 HA ALA 18 0.367 -1.671 -5.802 132 HB1 ALA 18 HB1 ALA 18 2.622 -0.160 -6.663 133 HB2 ALA 18 HB2 ALA 18 1.537 -1.173 -7.616 134 HB3 ALA 18 HB3 ALA 18 2.973 -1.875 -6.871 135 H ILE 19 HN ILE 19 0.288 -3.715 -5.207 136 HA ILE 19 HA ILE 19 2.639 -4.907 -3.895 137 HB ILE 19 HB ILE 19 -0.106 -5.856 -3.194 138 HG12 ILE 19 HG12 ILE 19 1.224 -3.630 -1.659 139 HG13 ILE 19 HG11 ILE 19 0.079 -3.294 -2.953 140 HG21 ILE 19 HG21 ILE 19 2.353 -6.720 -2.522 141 HG22 ILE 19 HG22 ILE 19 0.933 -6.922 -1.497 142 HG23 ILE 19 HG23 ILE 19 2.050 -5.589 -1.201 143 HD11 ILE 19 HD11 ILE 19 -1.497 -3.400 -1.403 144 HD12 ILE 19 HD12 ILE 19 -0.394 -4.110 -0.223 145 HD13 ILE 19 HD13 ILE 19 -1.231 -5.144 -1.382 146 H ARG 20 HN ARG 20 3.402 -6.621 -4.966 147 HA ARG 20 HA ARG 20 1.880 -7.719 -7.160 148 HB2 ARG 20 HB2 ARG 20 4.111 -7.480 -7.733 149 HB3 ARG 20 HB1 ARG 20 4.681 -8.002 -6.155 150 HG2 ARG 20 HG2 ARG 20 3.821 -10.313 -6.779 151 HG3 ARG 20 HG1 ARG 20 3.669 -9.689 -8.422 152 HD2 ARG 20 HD2 ARG 20 6.229 -8.962 -7.442 153 HD3 ARG 20 HD1 ARG 20 5.983 -10.672 -7.088 154 HE ARG 20 HE ARG 20 6.041 -11.125 -9.343 155 HH11 ARG 20 HH11 ARG 20 5.809 -7.687 -8.837 156 HH12 ARG 20 HH12 ARG 20 6.143 -7.289 -10.490 157 HH21 ARG 20 HH21 ARG 20 6.486 -10.614 -11.521 158 HH22 ARG 20 HH22 ARG 20 6.527 -8.954 -12.018 159 H VAL 21 HN VAL 21 0.514 -9.321 -6.960 160 HA VAL 21 HA VAL 21 1.166 -11.602 -5.258 161 HB VAL 21 HB VAL 21 -1.119 -11.673 -4.312 162 HG11 VAL 21 HG11 VAL 21 0.545 -10.843 -2.866 163 HG12 VAL 21 HG12 VAL 21 -0.793 -9.702 -2.745 164 HG13 VAL 21 HG13 VAL 21 0.623 -9.299 -3.713 165 HG21 VAL 21 HG21 VAL 21 -2.747 -10.236 -4.856 166 HG22 VAL 21 HG22 VAL 21 -1.734 -9.830 -6.243 167 HG23 VAL 21 HG23 VAL 21 -1.669 -8.843 -4.782 168 H SER 22 HN SER 22 0.614 -13.496 -6.153 169 HA SER 22 HA SER 22 -1.178 -13.433 -8.491 170 HB2 SER 22 HB2 SER 22 0.288 -15.579 -9.073 171 HB3 SER 22 HB1 SER 22 0.806 -13.956 -9.528 172 HG SER 22 HG SER 22 2.483 -14.259 -8.320 173 H TYR 23 HN TYR 23 -0.144 -15.156 -5.622 174 HA TYR 23 HA TYR 23 -2.049 -17.301 -6.056 175 HB2 TYR 23 HB2 TYR 23 -0.167 -16.711 -3.764 176 HB3 TYR 23 HB1 TYR 23 -1.200 -18.133 -3.859 177 HD1 TYR 23 HD1 TYR 23 1.398 -16.343 -5.854 178 HD2 TYR 23 HD2 TYR 23 -0.318 -20.077 -4.756 179 HE1 TYR 23 HE1 TYR 23 3.144 -17.512 -7.128 180 HE2 TYR 23 HE2 TYR 23 1.425 -21.259 -6.028 181 HH TYR 23 HH TYR 23 4.088 -19.506 -7.556 182 H ALA 24 HN ALA 24 -1.506 -14.794 -3.590 183 HA ALA 24 HA ALA 24 -2.947 -14.313 -1.775 184 HB1 ALA 24 HB1 ALA 24 -3.123 -12.804 -4.089 185 HB2 ALA 24 HB2 ALA 24 -3.667 -12.333 -2.478 186 HB3 ALA 24 HB3 ALA 24 -4.801 -13.065 -3.612 187 H ARG 25 HN ARG 25 -3.730 -16.540 -1.326 188 HA ARG 25 HA ARG 25 -5.970 -17.681 -2.480 189 HB2 ARG 25 HB2 ARG 25 -4.334 -18.120 -0.173 190 HB3 ARG 25 HB1 ARG 25 -6.021 -18.300 0.285 191 HG2 ARG 25 HG2 ARG 25 -6.287 -19.880 -1.633 192 HG3 ARG 25 HG1 ARG 25 -4.537 -19.800 -1.855 193 HD2 ARG 25 HD2 ARG 25 -4.901 -20.290 0.864 194 HD3 ARG 25 HD1 ARG 25 -6.086 -21.315 0.055 195 HE ARG 25 HE ARG 25 -3.655 -21.612 -1.274 196 HH11 ARG 25 HH11 ARG 25 -5.024 -22.275 1.859 197 HH12 ARG 25 HH12 ARG 25 -4.012 -23.650 2.152 198 HH21 ARG 25 HH21 ARG 25 -2.323 -23.419 -0.900 199 HH22 ARG 25 HH22 ARG 25 -2.478 -24.301 0.582 200 H VAL 26 HN VAL 26 -5.915 -15.860 0.601 201 HA VAL 26 HA VAL 26 -8.480 -15.772 1.315 202 HB VAL 26 HB VAL 26 -8.111 -13.175 1.702 203 HG11 VAL 26 HG11 VAL 26 -6.670 -13.841 3.712 204 HG12 VAL 26 HG12 VAL 26 -6.807 -15.488 3.096 205 HG13 VAL 26 HG13 VAL 26 -8.257 -14.593 3.550 206 HG21 VAL 26 HG21 VAL 26 -6.201 -12.394 0.867 207 HG22 VAL 26 HG22 VAL 26 -5.644 -14.012 0.444 208 HG23 VAL 26 HG23 VAL 26 -5.361 -13.378 2.063 209 H SER 27 HN SER 27 -10.380 -15.336 0.430 210 HA SER 27 HA SER 27 -10.727 -14.591 -2.222 211 HB2 SER 27 HB2 SER 27 -13.048 -14.540 -1.782 212 HB3 SER 27 HB1 SER 27 -12.409 -15.686 -0.605 213 HG SER 27 HG SER 27 -13.918 -13.938 0.133 214 H GLU 28 HN GLU 28 -10.724 -12.631 0.700 215 HA GLU 28 HA GLU 28 -10.620 -10.231 -1.001 216 HB2 GLU 28 HB2 GLU 28 -12.759 -10.202 0.085 217 HB3 GLU 28 HB1 GLU 28 -12.041 -10.610 1.636 218 HG2 GLU 28 HG2 GLU 28 -11.312 -8.489 2.020 219 HG3 GLU 28 HG1 GLU 28 -11.132 -8.122 0.305 220 H PHE 29 HN PHE 29 -9.069 -8.733 -0.501 221 HA PHE 29 HA PHE 29 -7.011 -9.607 1.347 222 HB2 PHE 29 HB2 PHE 29 -6.959 -7.062 -0.265 223 HB3 PHE 29 HB1 PHE 29 -5.598 -8.002 0.338 224 HD1 PHE 29 HD2 PHE 29 -7.346 -10.599 -0.666 225 HD2 PHE 29 HD1 PHE 29 -5.641 -7.116 -2.424 226 HE1 PHE 29 HE2 PHE 29 -7.205 -11.765 -2.827 227 HE2 PHE 29 HE1 PHE 29 -5.492 -8.276 -4.588 228 HZ PHE 29 HZ PHE 29 -6.274 -10.604 -4.792 229 H ASP 30 HN ASP 30 -6.079 -8.065 2.917 230 HA ASP 30 HA ASP 30 -8.200 -6.385 4.082 231 HB2 ASP 30 HB2 ASP 30 -6.124 -8.148 5.317 232 HB3 ASP 30 HB1 ASP 30 -6.681 -6.736 6.211 233 H VAL 31 HN VAL 31 -7.854 -4.300 3.755 234 HA VAL 31 HA VAL 31 -5.078 -3.310 3.837 235 HB VAL 31 HB VAL 31 -7.350 -1.942 2.404 236 HG11 VAL 31 HG11 VAL 31 -5.666 -0.631 1.374 237 HG12 VAL 31 HG12 VAL 31 -4.383 -1.675 1.982 238 HG13 VAL 31 HG13 VAL 31 -5.293 -0.657 3.097 239 HG21 VAL 31 HG21 VAL 31 -6.482 -4.371 1.637 240 HG22 VAL 31 HG22 VAL 31 -5.300 -3.350 0.817 241 HG23 VAL 31 HG23 VAL 31 -7.022 -3.126 0.510 242 H TYR 32 HN TYR 32 -4.664 -2.211 5.621 243 HA TYR 32 HA TYR 32 -6.831 -0.625 6.833 244 HB2 TYR 32 HB2 TYR 32 -4.440 -1.762 8.288 245 HB3 TYR 32 HB1 TYR 32 -5.861 -1.002 8.997 246 HD1 TYR 32 HD1 TYR 32 -8.031 -2.334 7.492 247 HD2 TYR 32 HD2 TYR 32 -4.453 -3.927 9.153 248 HE1 TYR 32 HE1 TYR 32 -9.109 -4.536 7.689 249 HE2 TYR 32 HE2 TYR 32 -5.520 -6.132 9.354 250 HH TYR 32 HH TYR 32 -8.923 -6.614 8.489 251 H PHE 33 HN PHE 33 -6.555 1.470 6.505 252 HA PHE 33 HA PHE 33 -3.823 2.547 6.625 253 HB2 PHE 33 HB2 PHE 33 -4.286 4.090 4.870 254 HB3 PHE 33 HB1 PHE 33 -4.782 2.503 4.299 255 HD1 PHE 33 HD1 PHE 33 -7.132 1.954 4.025 256 HD2 PHE 33 HD2 PHE 33 -5.896 5.832 5.270 257 HE1 PHE 33 HE1 PHE 33 -9.365 2.835 3.485 258 HE2 PHE 33 HE2 PHE 33 -8.128 6.719 4.733 259 HZ PHE 33 HZ PHE 33 -9.865 5.219 3.839 260 H GLU 34 HN GLU 34 -3.586 3.789 8.328 261 HA GLU 34 HA GLU 34 -5.749 5.612 9.097 262 HB2 GLU 34 HB2 GLU 34 -4.462 3.514 10.790 263 HB3 GLU 34 HB1 GLU 34 -4.945 5.028 11.541 264 HG2 GLU 34 HG2 GLU 34 -7.233 4.642 10.565 265 HG3 GLU 34 HG1 GLU 34 -6.683 3.020 10.147 266 H GLY 35 HN GLY 35 -4.928 7.596 8.989 267 HA2 GLY 35 HA2 GLY 35 -3.492 9.369 9.254 268 HA3 GLY 35 HA1 GLY 35 -2.712 8.423 10.515 269 H SER 36 HN SER 36 -1.297 6.599 9.641 270 HA SER 36 HA SER 36 -0.121 7.018 7.048 271 HB2 SER 36 HB2 SER 36 2.159 7.126 8.678 272 HB3 SER 36 HB1 SER 36 1.503 8.430 7.687 273 HG SER 36 HG SER 36 1.041 7.898 10.427 274 H ASP 37 HN ASP 37 -1.380 4.939 8.819 275 HA ASP 37 HA ASP 37 0.791 2.950 8.808 276 HB2 ASP 37 HB2 ASP 37 -1.369 3.540 10.675 277 HB3 ASP 37 HB1 ASP 37 -1.332 1.841 10.215 278 H PHE 38 HN PHE 38 0.726 1.934 6.895 279 HA PHE 38 HA PHE 38 -1.888 1.080 5.843 280 HB2 PHE 38 HB2 PHE 38 -0.669 2.399 4.248 281 HB3 PHE 38 HB1 PHE 38 0.783 1.428 4.475 282 HD1 PHE 38 HD2 PHE 38 -2.684 1.337 3.184 283 HD2 PHE 38 HD1 PHE 38 1.151 -0.513 3.212 284 HE1 PHE 38 HE2 PHE 38 -3.379 -0.125 1.331 285 HE2 PHE 38 HE1 PHE 38 0.462 -1.977 1.360 286 HZ PHE 38 HZ PHE 38 -1.805 -1.784 0.417 287 H LYS 39 HN LYS 39 -2.446 -0.950 6.236 288 HA LYS 39 HA LYS 39 -0.326 -2.999 6.361 289 HB2 LYS 39 HB2 LYS 39 -2.927 -2.856 7.895 290 HB3 LYS 39 HB1 LYS 39 -1.856 -4.251 7.892 291 HG2 LYS 39 HG2 LYS 39 -0.763 -3.366 9.595 292 HG3 LYS 39 HG1 LYS 39 -0.261 -2.035 8.553 293 HD2 LYS 39 HD2 LYS 39 -2.633 -1.092 9.106 294 HD3 LYS 39 HD1 LYS 39 -2.529 -2.179 10.492 295 HE2 LYS 39 HE2 LYS 39 -0.266 -1.106 10.953 296 HE3 LYS 39 HE1 LYS 39 -0.741 0.130 9.789 297 HZ1 LYS 39 HZ1 LYS 39 -2.615 0.698 11.141 298 HZ2 LYS 39 HZ2 LYS 39 -1.235 0.723 12.118 299 HZ3 LYS 39 HZ3 LYS 39 -2.311 -0.579 12.208 300 H PHE 40 HN PHE 40 -0.505 -4.692 4.990 301 HA PHE 40 HA PHE 40 -3.106 -5.139 3.696 302 HB2 PHE 40 HB2 PHE 40 -1.731 -3.911 2.121 303 HB3 PHE 40 HB1 PHE 40 -0.419 -5.069 2.322 304 HD1 PHE 40 HD2 PHE 40 -3.893 -4.701 1.103 305 HD2 PHE 40 HD1 PHE 40 -0.329 -7.025 1.035 306 HE1 PHE 40 HE2 PHE 40 -4.815 -6.053 -0.735 307 HE2 PHE 40 HE1 PHE 40 -1.243 -8.382 -0.803 308 HZ PHE 40 HZ PHE 40 -3.489 -7.896 -1.691 309 H TYR 41 HN TYR 41 -3.801 -7.125 4.111 310 HA TYR 41 HA TYR 41 -1.811 -9.287 4.347 311 HB2 TYR 41 HB2 TYR 41 -4.565 -9.222 5.600 312 HB3 TYR 41 HB1 TYR 41 -3.312 -10.431 5.859 313 HD1 TYR 41 HD2 TYR 41 -4.047 -6.815 6.333 314 HD2 TYR 41 HD1 TYR 41 -1.788 -10.186 7.612 315 HE1 TYR 41 HE2 TYR 41 -3.197 -5.514 8.239 316 HE2 TYR 41 HE1 TYR 41 -0.931 -8.894 9.522 317 HH TYR 41 HH TYR 41 -1.847 -6.792 10.882 318 H ALA 42 HN ALA 42 -1.786 -10.423 2.526 319 HA ALA 42 HA ALA 42 -4.331 -10.893 1.121 320 HB1 ALA 42 HB1 ALA 42 -1.860 -10.016 0.145 321 HB2 ALA 42 HB2 ALA 42 -3.280 -10.485 -0.792 322 HB3 ALA 42 HB3 ALA 42 -2.036 -11.678 -0.419 323 H LYS 43 HN LYS 43 -3.196 -12.339 3.448 324 HA LYS 43 HA LYS 43 -3.616 -14.481 4.158 325 HB2 LYS 43 HB2 LYS 43 -4.848 -15.231 2.287 326 HB3 LYS 43 HB1 LYS 43 -3.451 -15.225 1.242 327 HG2 LYS 43 HG2 LYS 43 -3.827 -17.472 1.713 328 HG3 LYS 43 HG1 LYS 43 -2.494 -17.019 2.775 329 HD2 LYS 43 HD2 LYS 43 -4.967 -16.503 4.109 330 HD3 LYS 43 HD1 LYS 43 -4.983 -18.152 3.480 331 HE2 LYS 43 HE2 LYS 43 -3.595 -18.824 5.079 332 HE3 LYS 43 HE1 LYS 43 -2.424 -17.587 4.631 333 HZ1 LYS 43 HZ1 LYS 43 -2.968 -17.162 6.851 334 HZ2 LYS 43 HZ2 LYS 43 -4.624 -17.392 6.597 335 HZ3 LYS 43 HZ3 LYS 43 -3.858 -16.018 5.977 336 HA PRO 44 HA PRO 44 0.688 -16.183 3.678 337 HB2 PRO 44 HB2 PRO 44 1.926 -16.548 1.356 338 HB3 PRO 44 HB1 PRO 44 0.590 -17.596 1.834 339 HG2 PRO 44 HG2 PRO 44 0.584 -15.270 -0.046 340 HG3 PRO 44 HG1 PRO 44 -0.190 -16.855 -0.230 341 HD2 PRO 44 HD2 PRO 44 -1.493 -14.590 0.616 342 HD3 PRO 44 HD1 PRO 44 -2.002 -16.245 0.996 343 H TYR 45 HN TYR 45 0.030 -13.407 1.763 344 HA TYR 45 HA TYR 45 2.738 -12.385 2.226 345 HB2 TYR 45 HB2 TYR 45 0.653 -11.544 0.207 346 HB3 TYR 45 HB1 TYR 45 2.212 -10.755 0.416 347 HD1 TYR 45 HD1 TYR 45 4.224 -12.621 0.482 348 HD2 TYR 45 HD2 TYR 45 0.530 -12.966 -1.601 349 HE1 TYR 45 HE1 TYR 45 5.250 -14.235 -1.058 350 HE2 TYR 45 HE2 TYR 45 1.547 -14.584 -3.150 351 HH TYR 45 HH TYR 45 4.751 -15.869 -2.617 352 H PHE 46 HN PHE 46 3.064 -10.659 3.501 353 HA PHE 46 HA PHE 46 0.730 -9.074 4.348 354 HB2 PHE 46 HB2 PHE 46 1.134 -10.356 6.254 355 HB3 PHE 46 HB1 PHE 46 2.875 -10.362 6.004 356 HD1 PHE 46 HD1 PHE 46 0.047 -8.126 6.902 357 HD2 PHE 46 HD2 PHE 46 4.226 -8.884 7.155 358 HE1 PHE 46 HE1 PHE 46 0.282 -6.276 8.508 359 HE2 PHE 46 HE2 PHE 46 4.469 -7.038 8.760 360 HZ PHE 46 HZ PHE 46 2.496 -5.732 9.439 361 H LEU 47 HN LEU 47 0.964 -6.941 4.051 362 HA LEU 47 HA LEU 47 3.693 -5.888 3.687 363 HB2 LEU 47 HB2 LEU 47 1.568 -5.929 1.858 364 HB3 LEU 47 HB1 LEU 47 1.684 -4.272 2.408 365 HG LEU 47 HG LEU 47 3.633 -5.878 0.827 366 HD11 LEU 47 HD11 LEU 47 1.940 -4.080 0.011 367 HD12 LEU 47 HD12 LEU 47 3.589 -4.080 -0.618 368 HD13 LEU 47 HD13 LEU 47 3.126 -2.940 0.646 369 HD21 LEU 47 HD21 LEU 47 4.315 -3.920 2.953 370 HD22 LEU 47 HD22 LEU 47 5.208 -3.836 1.434 371 HD23 LEU 47 HD23 LEU 47 5.210 -5.326 2.378 372 H ARG 48 HN ARG 48 4.223 -4.649 5.354 373 HA ARG 48 HA ARG 48 2.201 -2.775 6.384 374 HB2 ARG 48 HB2 ARG 48 2.550 -4.206 8.200 375 HB3 ARG 48 HB1 ARG 48 4.258 -4.411 7.836 376 HG2 ARG 48 HG2 ARG 48 3.318 -1.698 8.586 377 HG3 ARG 48 HG1 ARG 48 3.419 -2.923 9.852 378 HD2 ARG 48 HD2 ARG 48 5.792 -3.341 8.790 379 HD3 ARG 48 HD1 ARG 48 5.583 -1.686 8.221 380 HE ARG 48 HE ARG 48 5.062 -2.002 11.026 381 HH11 ARG 48 HH11 ARG 48 7.528 -1.506 8.617 382 HH12 ARG 48 HH12 ARG 48 8.626 -0.733 9.712 383 HH21 ARG 48 HH21 ARG 48 6.502 -0.983 12.478 384 HH22 ARG 48 HH22 ARG 48 8.043 -0.437 11.906 385 H LEU 49 HN LEU 49 2.689 -0.762 5.782 386 HA LEU 49 HA LEU 49 5.498 0.088 5.877 387 HB2 LEU 49 HB2 LEU 49 3.596 0.668 3.607 388 HB3 LEU 49 HB1 LEU 49 5.206 1.337 3.777 389 HG LEU 49 HG LEU 49 4.554 -1.584 3.379 390 HD11 LEU 49 HD11 LEU 49 4.176 -0.084 1.414 391 HD12 LEU 49 HD12 LEU 49 5.400 -1.330 1.165 392 HD13 LEU 49 HD13 LEU 49 5.887 0.336 1.481 393 HD21 LEU 49 HD21 LEU 49 7.086 -0.103 3.926 394 HD22 LEU 49 HD22 LEU 49 7.120 -1.526 2.884 395 HD23 LEU 49 HD23 LEU 49 6.538 -1.662 4.542 396 H THR 50 HN THR 50 5.856 2.201 6.444 397 HA THR 50 HA THR 50 3.511 3.652 7.460 398 HB THR 50 HB THR 50 6.283 4.521 8.133 399 HG1 THR 50 HG1 THR 50 6.206 2.181 8.447 400 HG21 THR 50 HG21 THR 50 3.839 4.240 9.870 401 HG22 THR 50 HG22 THR 50 4.186 5.677 8.908 402 HG23 THR 50 HG23 THR 50 5.292 5.187 10.192 403 H LEU 51 HN LEU 51 2.766 5.165 6.131 404 HA LEU 51 HA LEU 51 4.330 6.246 4.006 405 HB2 LEU 51 HB2 LEU 51 1.660 7.211 5.010 406 HB3 LEU 51 HB1 LEU 51 2.362 7.509 3.431 407 HG LEU 51 HG LEU 51 1.846 4.695 4.303 408 HD11 LEU 51 HD11 LEU 51 -0.358 5.252 2.845 409 HD12 LEU 51 HD12 LEU 51 -0.172 6.756 3.746 410 HD13 LEU 51 HD13 LEU 51 -0.315 5.224 4.607 411 HD21 LEU 51 HD21 LEU 51 1.679 6.009 1.599 412 HD22 LEU 51 HD22 LEU 51 1.693 4.282 1.958 413 HD23 LEU 51 HD23 LEU 51 3.138 5.253 2.239 414 HA PRO 52 HA PRO 52 6.314 9.613 6.073 415 HB2 PRO 52 HB2 PRO 52 6.205 10.940 3.432 416 HB3 PRO 52 HB1 PRO 52 7.602 10.539 4.431 417 HG2 PRO 52 HG2 PRO 52 7.058 9.173 2.200 418 HG3 PRO 52 HG1 PRO 52 7.714 8.369 3.639 419 HD2 PRO 52 HD2 PRO 52 4.907 8.414 2.603 420 HD3 PRO 52 HD1 PRO 52 5.822 7.077 3.331 421 H GLY 53 HN GLY 53 3.399 10.006 4.198 422 HA2 GLY 53 HA2 GLY 53 2.958 12.622 5.491 423 HA3 GLY 53 HA1 GLY 53 2.249 12.147 3.958 424 H ARG 54 HN ARG 54 0.141 12.389 4.465 425 HA ARG 54 HA ARG 54 -0.974 10.413 6.297 426 HB2 ARG 54 HB2 ARG 54 -2.265 13.077 6.407 427 HB3 ARG 54 HB1 ARG 54 -2.074 11.867 7.667 428 HG2 ARG 54 HG2 ARG 54 0.266 13.455 6.681 429 HG3 ARG 54 HG1 ARG 54 -0.831 14.096 7.905 430 HD2 ARG 54 HD2 ARG 54 -0.375 11.709 8.989 431 HD3 ARG 54 HD1 ARG 54 1.121 11.872 8.075 432 HE ARG 54 HE ARG 54 0.401 13.288 10.440 433 HH11 ARG 54 HH11 ARG 54 2.217 13.498 7.479 434 HH12 ARG 54 HH12 ARG 54 3.355 14.644 8.105 435 HH21 ARG 54 HH21 ARG 54 1.894 14.798 11.278 436 HH22 ARG 54 HH22 ARG 54 3.172 15.381 10.266 437 H ILE 55 HN ILE 55 -2.901 9.573 5.641 438 HA ILE 55 HA ILE 55 -4.049 10.688 3.160 439 HB ILE 55 HB ILE 55 -3.838 7.811 4.055 440 HG12 ILE 55 HG12 ILE 55 -1.841 8.848 2.972 441 HG13 ILE 55 HG11 ILE 55 -2.515 7.499 2.063 442 HG21 ILE 55 HG21 ILE 55 -4.959 8.335 1.403 443 HG22 ILE 55 HG22 ILE 55 -6.000 8.817 2.738 444 HG23 ILE 55 HG23 ILE 55 -5.430 7.153 2.623 445 HD11 ILE 55 HD11 ILE 55 -3.614 10.077 1.275 446 HD12 ILE 55 HD12 ILE 55 -2.941 8.775 0.292 447 HD13 ILE 55 HD13 ILE 55 -1.869 9.952 1.049 448 H VAL 56 HN VAL 56 -6.091 11.397 3.319 449 HA VAL 56 HA VAL 56 -7.537 11.412 5.686 450 HB VAL 56 HB VAL 56 -8.031 12.999 3.939 451 HG11 VAL 56 HG11 VAL 56 -8.338 12.469 1.800 452 HG12 VAL 56 HG12 VAL 56 -9.604 11.306 2.197 453 HG13 VAL 56 HG13 VAL 56 -7.911 10.814 2.237 454 HG21 VAL 56 HG21 VAL 56 -10.497 11.304 4.219 455 HG22 VAL 56 HG22 VAL 56 -10.374 13.061 4.124 456 HG23 VAL 56 HG23 VAL 56 -9.822 12.216 5.569 457 H GLU 57 HN GLU 57 -9.468 10.371 6.329 458 HA GLU 57 HA GLU 57 -9.693 7.625 5.292 459 HB2 GLU 57 HB2 GLU 57 -10.827 8.364 7.943 460 HB3 GLU 57 HB1 GLU 57 -10.111 6.851 7.412 461 HG2 GLU 57 HG2 GLU 57 -8.160 7.397 8.294 462 HG3 GLU 57 HG1 GLU 57 -8.127 8.921 7.412 463 H ASN 58 HN ASN 58 -11.474 7.112 4.238 464 HA ASN 58 HA ASN 58 -14.045 8.197 5.012 465 HB2 ASN 58 HB2 ASN 58 -12.684 9.594 3.098 466 HB3 ASN 58 HB1 ASN 58 -13.604 8.463 2.110 467 HD21 ASN 58 HD21 ASN 58 -15.925 8.395 2.441 468 HD22 ASN 58 HD22 ASN 58 -16.750 9.841 2.904 469 H GLY 59 HN GLY 59 -12.173 6.206 2.782 470 HA2 GLY 59 HA2 GLY 59 -12.661 3.838 2.636 471 HA3 GLY 59 HA1 GLY 59 -14.361 4.229 2.851 472 H SER 60 HN SER 60 -13.844 6.577 0.948 473 HA SER 60 HA SER 60 -14.868 5.394 -1.374 474 HB2 SER 60 HB2 SER 60 -14.264 8.016 -0.476 475 HB3 SER 60 HB1 SER 60 -13.470 7.811 -2.037 476 HG SER 60 HG SER 60 -16.194 7.739 -1.394 477 H GLU 61 HN GLU 61 -11.670 6.906 -1.005 478 HA GLU 61 HA GLU 61 -9.820 6.690 -2.404 479 HB2 GLU 61 HB2 GLU 61 -8.583 4.821 -1.707 480 HB3 GLU 61 HB1 GLU 61 -9.688 5.134 -0.375 481 HG2 GLU 61 HG2 GLU 61 -11.108 3.385 -1.939 482 HG3 GLU 61 HG1 GLU 61 -9.450 2.809 -2.109 483 H GLN 62 HN GLN 62 -8.931 4.145 -3.524 484 HA GLN 62 HA GLN 62 -10.850 3.397 -5.539 485 HB2 GLN 62 HB2 GLN 62 -8.543 5.202 -6.150 486 HB3 GLN 62 HB1 GLN 62 -9.025 4.004 -7.342 487 HG2 GLN 62 HG2 GLN 62 -10.695 5.278 -8.023 488 HG3 GLN 62 HG1 GLN 62 -11.337 5.389 -6.385 489 HE21 GLN 62 HE21 GLN 62 -11.457 7.457 -8.275 490 HE22 GLN 62 HE22 GLN 62 -10.499 8.774 -7.701 491 H GLY 63 HN GLY 63 -10.500 1.333 -6.146 492 HA2 GLY 63 HA2 GLY 63 -7.799 0.223 -5.749 493 HA3 GLY 63 HA1 GLY 63 -9.198 -0.591 -5.069 494 H SER 64 HN SER 64 -7.136 -1.309 -7.155 495 HA SER 64 HA SER 64 -8.955 -2.665 -8.916 496 HB2 SER 64 HB2 SER 64 -8.130 -1.763 -11.006 497 HB3 SER 64 HB1 SER 64 -8.712 -0.429 -10.012 498 HG SER 64 HG SER 64 -6.553 -0.253 -11.101 499 H TYR 65 HN TYR 65 -8.131 -4.634 -8.565 500 HA TYR 65 HA TYR 65 -5.218 -4.984 -8.742 501 HB2 TYR 65 HB2 TYR 65 -5.801 -5.867 -6.684 502 HB3 TYR 65 HB1 TYR 65 -7.369 -6.429 -7.250 503 HD1 TYR 65 HD2 TYR 65 -3.727 -7.124 -7.438 504 HD2 TYR 65 HD1 TYR 65 -7.663 -8.655 -7.953 505 HE1 TYR 65 HE2 TYR 65 -2.804 -9.385 -7.718 506 HE2 TYR 65 HE1 TYR 65 -6.751 -10.922 -8.234 507 HH TYR 65 HH TYR 65 -4.174 -11.998 -7.299 508 H ASP 66 HN ASP 66 -4.325 -6.330 -10.212 509 HA ASP 66 HA ASP 66 -6.162 -7.627 -12.113 510 HB2 ASP 66 HB2 ASP 66 -3.871 -5.883 -12.509 511 HB3 ASP 66 HB1 ASP 66 -3.685 -7.405 -13.374 512 H ALA 67 HN ALA 67 -6.193 -9.753 -11.904 513 HA ALA 67 HA ALA 67 -4.154 -11.181 -10.495 514 HB1 ALA 67 HB1 ALA 67 -6.806 -11.763 -11.529 515 HB2 ALA 67 HB2 ALA 67 -5.958 -12.441 -10.138 516 HB3 ALA 67 HB3 ALA 67 -5.680 -13.103 -11.749 517 H ASP 68 HN ASP 68 -5.203 -11.043 -13.883 518 HA ASP 68 HA ASP 68 -3.461 -12.927 -14.947 519 HB2 ASP 68 HB2 ASP 68 -5.141 -10.789 -15.951 520 HB3 ASP 68 HB1 ASP 68 -3.650 -10.909 -16.879 521 H LYS 69 HN LYS 69 -2.982 -9.419 -14.593 522 HA LYS 69 HA LYS 69 -0.243 -9.576 -15.466 523 HB2 LYS 69 HB2 LYS 69 -1.866 -7.594 -15.746 524 HB3 LYS 69 HB1 LYS 69 -1.492 -7.222 -14.070 525 HG2 LYS 69 HG2 LYS 69 0.978 -7.604 -15.323 526 HG3 LYS 69 HG1 LYS 69 0.009 -6.647 -16.444 527 HD2 LYS 69 HD2 LYS 69 0.486 -6.008 -13.534 528 HD3 LYS 69 HD1 LYS 69 1.271 -5.222 -14.904 529 HE2 LYS 69 HE2 LYS 69 -1.614 -5.216 -15.164 530 HE3 LYS 69 HE1 LYS 69 -1.091 -4.447 -13.666 531 HZ1 LYS 69 HZ1 LYS 69 0.355 -3.716 -16.087 532 HZ2 LYS 69 HZ2 LYS 69 -0.103 -2.759 -14.770 533 HZ3 LYS 69 HZ3 LYS 69 -1.236 -3.154 -15.961 534 H GLY 70 HN GLY 70 -1.942 -9.787 -12.472 535 HA2 GLY 70 HA2 GLY 70 -1.189 -10.299 -10.358 536 HA3 GLY 70 HA1 GLY 70 0.401 -10.561 -11.058 537 H ILE 71 HN ILE 71 -1.792 -7.832 -10.375 538 HA ILE 71 HA ILE 71 0.211 -6.551 -8.753 539 HB ILE 71 HB ILE 71 -0.558 -5.270 -11.376 540 HG12 ILE 71 HG12 ILE 71 2.097 -6.266 -10.317 541 HG13 ILE 71 HG11 ILE 71 1.171 -6.971 -11.638 542 HG21 ILE 71 HG21 ILE 71 1.435 -3.755 -10.223 543 HG22 ILE 71 HG22 ILE 71 0.385 -4.157 -8.864 544 HG23 ILE 71 HG23 ILE 71 -0.280 -3.347 -10.282 545 HD11 ILE 71 HD11 ILE 71 2.989 -4.695 -11.625 546 HD12 ILE 71 HD12 ILE 71 1.474 -4.401 -12.479 547 HD13 ILE 71 HD13 ILE 71 2.500 -5.758 -12.944 548 H PHE 72 HN PHE 72 -0.778 -5.479 -7.186 549 HA PHE 72 HA PHE 72 -3.584 -4.685 -7.582 550 HB2 PHE 72 HB2 PHE 72 -3.351 -6.302 -5.806 551 HB3 PHE 72 HB1 PHE 72 -2.052 -5.372 -5.067 552 HD1 PHE 72 HD2 PHE 72 -4.980 -3.682 -6.431 553 HD2 PHE 72 HD1 PHE 72 -3.198 -5.324 -2.932 554 HE1 PHE 72 HE2 PHE 72 -6.625 -2.493 -5.040 555 HE2 PHE 72 HE1 PHE 72 -4.842 -4.139 -1.535 556 HZ PHE 72 HZ PHE 72 -6.558 -2.720 -2.588 557 H THR 73 HN THR 73 -3.936 -2.581 -7.831 558 HA THR 73 HA THR 73 -2.089 -0.686 -6.522 559 HB THR 73 HB THR 73 -3.457 0.464 -8.799 560 HG1 THR 73 HG1 THR 73 -3.256 -1.705 -9.618 561 HG21 THR 73 HG21 THR 73 -1.556 1.631 -8.894 562 HG22 THR 73 HG22 THR 73 -0.576 0.169 -8.997 563 HG23 THR 73 HG23 THR 73 -1.079 0.784 -7.423 564 H ILE 74 HN ILE 74 -3.027 0.575 -5.055 565 HA ILE 74 HA ILE 74 -5.868 1.272 -5.411 566 HB ILE 74 HB ILE 74 -5.795 -0.438 -3.707 567 HG12 ILE 74 HG12 ILE 74 -6.220 1.488 -1.705 568 HG13 ILE 74 HG11 ILE 74 -6.646 2.279 -3.219 569 HG21 ILE 74 HG21 ILE 74 -3.708 1.303 -2.416 570 HG22 ILE 74 HG22 ILE 74 -3.529 -0.352 -2.997 571 HG23 ILE 74 HG23 ILE 74 -4.531 -0.017 -1.585 572 HD11 ILE 74 HD11 ILE 74 -7.698 -0.449 -2.751 573 HD12 ILE 74 HD12 ILE 74 -8.429 0.924 -3.581 574 HD13 ILE 74 HD13 ILE 74 -8.391 0.878 -1.819 575 H ARG 75 HN ARG 75 -6.186 3.395 -5.447 576 HA ARG 75 HA ARG 75 -4.074 5.177 -4.517 577 HB2 ARG 75 HB2 ARG 75 -6.451 6.478 -5.580 578 HB3 ARG 75 HB1 ARG 75 -4.776 6.599 -6.103 579 HG2 ARG 75 HG2 ARG 75 -5.300 4.208 -7.106 580 HG3 ARG 75 HG1 ARG 75 -6.950 4.834 -7.076 581 HD2 ARG 75 HD2 ARG 75 -6.266 5.530 -9.155 582 HD3 ARG 75 HD1 ARG 75 -5.843 6.935 -8.180 583 HE ARG 75 HE ARG 75 -3.590 6.416 -8.427 584 HH11 ARG 75 HH11 ARG 75 -5.600 3.974 -9.898 585 HH12 ARG 75 HH12 ARG 75 -4.298 3.262 -10.792 586 HH21 ARG 75 HH21 ARG 75 -1.877 5.484 -9.599 587 HH22 ARG 75 HH22 ARG 75 -2.183 4.120 -10.622 588 H LEU 76 HN LEU 76 -4.271 6.648 -2.903 589 HA LEU 76 HA LEU 76 -6.769 6.598 -1.347 590 HB2 LEU 76 HB2 LEU 76 -3.969 6.589 -0.223 591 HB3 LEU 76 HB1 LEU 76 -5.455 6.599 0.698 592 HG LEU 76 HG LEU 76 -5.674 4.357 -0.944 593 HD11 LEU 76 HD11 LEU 76 -2.886 4.979 -0.412 594 HD12 LEU 76 HD12 LEU 76 -3.595 3.784 -1.498 595 HD13 LEU 76 HD13 LEU 76 -3.363 3.397 0.207 596 HD21 LEU 76 HD21 LEU 76 -6.249 3.464 1.012 597 HD22 LEU 76 HD22 LEU 76 -5.884 5.029 1.739 598 HD23 LEU 76 HD23 LEU 76 -4.653 3.766 1.699 599 HA PRO 77 HA PRO 77 -6.470 11.018 -1.794 600 HB2 PRO 77 HB2 PRO 77 -8.393 11.656 0.033 601 HB3 PRO 77 HB1 PRO 77 -8.755 11.080 -1.598 602 HG2 PRO 77 HG2 PRO 77 -8.720 9.564 0.984 603 HG3 PRO 77 HG1 PRO 77 -9.887 9.480 -0.350 604 HD2 PRO 77 HD2 PRO 77 -7.946 7.633 -0.015 605 HD3 PRO 77 HD1 PRO 77 -8.524 8.117 -1.623 606 H LYS 78 HN LYS 78 -5.618 12.795 -0.655 607 HA LYS 78 HA LYS 78 -4.191 12.060 1.783 608 HB2 LYS 78 HB2 LYS 78 -3.870 14.762 0.615 609 HB3 LYS 78 HB1 LYS 78 -2.658 13.660 1.255 610 HG2 LYS 78 HG2 LYS 78 -3.299 12.283 -0.910 611 HG3 LYS 78 HG1 LYS 78 -3.766 13.885 -1.483 612 HD2 LYS 78 HD2 LYS 78 -1.631 14.311 -1.931 613 HD3 LYS 78 HD1 LYS 78 -1.271 14.176 -0.209 614 HE2 LYS 78 HE2 LYS 78 -0.950 11.765 -0.470 615 HE3 LYS 78 HE1 LYS 78 -1.307 11.905 -2.188 616 HZ1 LYS 78 HZ1 LYS 78 0.791 13.652 -1.248 617 HZ2 LYS 78 HZ2 LYS 78 0.728 12.680 -2.632 618 HZ3 LYS 78 HZ3 LYS 78 1.155 12.003 -1.143 619 H GLU 79 HN GLU 79 -4.147 13.455 3.634 620 HA GLU 79 HA GLU 79 -6.742 14.367 4.395 621 HB2 GLU 79 HB2 GLU 79 -5.731 13.685 6.305 622 HB3 GLU 79 HB1 GLU 79 -4.120 13.984 5.674 623 HG2 GLU 79 HG2 GLU 79 -4.200 16.266 6.295 624 HG3 GLU 79 HG1 GLU 79 -5.929 16.183 6.632 625 H THR 80 HN THR 80 -4.038 15.765 2.860 626 HA THR 80 HA THR 80 -5.373 18.352 2.781 627 HB THR 80 HB THR 80 -2.542 17.978 3.767 628 HG1 THR 80 HG1 THR 80 -4.868 18.467 4.992 629 HG21 THR 80 HG21 THR 80 -2.193 20.332 3.582 630 HG22 THR 80 HG22 THR 80 -3.855 20.595 3.053 631 HG23 THR 80 HG23 THR 80 -2.718 19.752 2.002 632 HA PRO 81 HA PRO 81 -4.276 17.620 -1.486 633 HB2 PRO 81 HB2 PRO 81 -4.904 20.187 -2.313 634 HB3 PRO 81 HB1 PRO 81 -6.055 18.855 -2.178 635 HG2 PRO 81 HG2 PRO 81 -5.496 21.081 -0.265 636 HG3 PRO 81 HG1 PRO 81 -7.048 20.350 -0.714 637 HD2 PRO 81 HD2 PRO 81 -5.847 19.753 1.604 638 HD3 PRO 81 HD1 PRO 81 -6.732 18.521 0.680 639 H GLY 82 HN GLY 82 -2.637 18.195 -2.919 640 HA2 GLY 82 HA2 GLY 82 -0.706 19.232 -3.659 641 HA3 GLY 82 HA1 GLY 82 -0.917 20.444 -2.405 642 H GLN 83 HN GLN 83 -1.156 17.648 -0.777 643 HA GLN 83 HA GLN 83 1.503 17.873 0.278 644 HB2 GLN 83 HB2 GLN 83 -0.530 17.352 1.656 645 HB3 GLN 83 HB1 GLN 83 -0.570 15.765 0.902 646 HG2 GLN 83 HG2 GLN 83 1.508 15.160 1.876 647 HG3 GLN 83 HG1 GLN 83 1.799 16.809 2.427 648 HE21 GLN 83 HE21 GLN 83 1.643 16.904 4.543 649 HE22 GLN 83 HE22 GLN 83 0.449 16.121 5.517 650 H HIS 84 HN HIS 84 3.229 16.595 -0.047 651 HA HIS 84 HA HIS 84 2.897 14.244 -1.789 652 HB2 HIS 84 HB2 HIS 84 3.928 15.796 -3.218 653 HB3 HIS 84 HB1 HIS 84 4.927 16.457 -1.927 654 HD1 HIS 84 HD1 HIS 84 6.915 16.047 -3.678 655 HD2 HIS 84 HD2 HIS 84 5.129 12.639 -2.109 656 HE1 HIS 84 HE1 HIS 84 8.519 14.169 -4.151 657 HE2 HIS 84 HE2 HIS 84 7.449 12.129 -3.130 658 H PHE 85 HN PHE 85 3.410 12.457 -0.713 659 HA PHE 85 HA PHE 85 4.799 12.474 1.753 660 HB2 PHE 85 HB2 PHE 85 4.115 10.183 -0.099 661 HB3 PHE 85 HB1 PHE 85 4.703 10.006 1.548 662 HD1 PHE 85 HD2 PHE 85 2.676 12.838 1.473 663 HD2 PHE 85 HD1 PHE 85 2.468 8.589 1.428 664 HE1 PHE 85 HE2 PHE 85 0.360 12.949 2.297 665 HE2 PHE 85 HE1 PHE 85 0.153 8.689 2.254 666 HZ PHE 85 HZ PHE 85 -0.905 10.870 2.689 667 H GLU 86 HN GLU 86 6.803 13.438 1.411 668 HA GLU 86 HA GLU 86 8.634 12.524 -0.566 669 HB2 GLU 86 HB2 GLU 86 8.874 14.327 1.829 670 HB3 GLU 86 HB1 GLU 86 10.264 13.914 0.838 671 HG2 GLU 86 HG2 GLU 86 9.283 14.936 -1.086 672 HG3 GLU 86 HG1 GLU 86 7.761 15.187 -0.233 673 H GLY 87 HN GLY 87 10.924 11.963 0.155 674 HA2 GLY 87 HA2 GLY 87 12.270 10.243 0.859 675 HA3 GLY 87 HA1 GLY 87 11.706 10.742 2.441 676 H LEU 88 HN LEU 88 9.622 9.246 -0.003 677 HA LEU 88 HA LEU 88 8.410 7.437 1.625 678 HB2 LEU 88 HB2 LEU 88 9.275 6.787 -1.183 679 HB3 LEU 88 HB1 LEU 88 7.927 6.096 -0.312 680 HG LEU 88 HG LEU 88 7.962 9.036 -0.841 681 HD11 LEU 88 HD11 LEU 88 7.926 8.749 -3.044 682 HD12 LEU 88 HD12 LEU 88 6.426 7.842 -2.852 683 HD13 LEU 88 HD13 LEU 88 7.973 6.995 -2.865 684 HD21 LEU 88 HD21 LEU 88 5.453 8.402 -1.074 685 HD22 LEU 88 HD22 LEU 88 6.184 8.477 0.528 686 HD23 LEU 88 HD23 LEU 88 5.935 6.917 -0.255 687 H ASN 89 HN ASN 89 11.340 6.810 -0.293 688 HA ASN 89 HA ASN 89 11.877 4.417 1.311 689 HB2 ASN 89 HB2 ASN 89 13.160 5.426 -1.238 690 HB3 ASN 89 HB1 ASN 89 13.618 3.945 -0.405 691 HD21 ASN 89 HD21 ASN 89 13.000 3.460 -2.829 692 HD22 ASN 89 HD22 ASN 89 11.399 2.844 -3.031 693 H MET 90 HN MET 90 13.299 7.499 0.362 694 HA MET 90 HA MET 90 15.690 7.101 1.901 695 HB2 MET 90 HB2 MET 90 14.583 9.222 0.170 696 HB3 MET 90 HB1 MET 90 15.657 9.774 1.448 697 HG2 MET 90 HG2 MET 90 17.157 7.797 0.519 698 HG3 MET 90 HG1 MET 90 16.236 8.131 -0.946 699 HE1 MET 90 HE1 MET 90 18.333 9.243 1.806 700 HE2 MET 90 HE2 MET 90 18.237 10.999 1.687 701 HE3 MET 90 HE3 MET 90 19.611 10.143 0.988 702 H LEU 91 HN LEU 91 12.696 7.417 2.970 703 HA LEU 91 HA LEU 91 12.557 9.538 4.725 704 HB2 LEU 91 HB2 LEU 91 11.171 7.095 4.283 705 HB3 LEU 91 HB1 LEU 91 11.505 7.204 6.003 706 HG LEU 91 HG LEU 91 10.023 9.243 4.342 707 HD11 LEU 91 HD11 LEU 91 8.115 8.602 5.762 708 HD12 LEU 91 HD12 LEU 91 9.104 7.333 6.485 709 HD13 LEU 91 HD13 LEU 91 8.701 7.266 4.769 710 HD21 LEU 91 HD21 LEU 91 9.656 10.446 6.404 711 HD22 LEU 91 HD22 LEU 91 11.388 10.270 6.124 712 HD23 LEU 91 HD23 LEU 91 10.576 9.242 7.306 713 H THR 92 HN THR 92 12.551 9.035 7.283 714 HA THR 92 HA THR 92 15.165 7.816 7.892 715 HB THR 92 HB THR 92 15.614 9.502 9.536 716 HG1 THR 92 HG1 THR 92 14.152 11.199 9.931 717 HG21 THR 92 HG21 THR 92 14.628 10.797 6.996 718 HG22 THR 92 HG22 THR 92 16.217 10.073 7.243 719 HG23 THR 92 HG23 THR 92 15.755 11.514 8.148 720 H ALA 93 HN ALA 93 15.416 7.083 10.123 721 HA ALA 93 HA ALA 93 12.883 6.006 11.141 722 HB1 ALA 93 HB1 ALA 93 15.683 5.006 11.165 723 HB2 ALA 93 HB2 ALA 93 14.177 4.149 10.836 724 HB3 ALA 93 HB3 ALA 93 14.620 4.548 12.496 725 H LEU 94 HN LEU 94 12.031 7.089 12.778 726 HA LEU 94 HA LEU 94 13.843 8.204 14.816 727 HB2 LEU 94 HB2 LEU 94 11.786 9.819 15.152 728 HB3 LEU 94 HB1 LEU 94 13.030 10.156 13.964 729 HG LEU 94 HG LEU 94 11.559 9.097 12.232 730 HD11 LEU 94 HD11 LEU 94 9.674 9.010 14.564 731 HD12 LEU 94 HD12 LEU 94 10.119 7.713 13.456 732 HD13 LEU 94 HD13 LEU 94 9.102 9.041 12.896 733 HD21 LEU 94 HD21 LEU 94 9.930 11.278 13.372 734 HD22 LEU 94 HD22 LEU 94 10.622 11.099 11.760 735 HD23 LEU 94 HD23 LEU 94 11.636 11.636 13.101 736 H LEU 95 HN LEU 95 13.657 7.027 16.606 737 HA LEU 95 HA LEU 95 11.108 5.741 17.221 738 HB2 LEU 95 HB2 LEU 95 13.843 5.436 18.465 739 HB3 LEU 95 HB1 LEU 95 12.416 4.555 18.977 740 HG LEU 95 HG LEU 95 12.286 3.628 16.621 741 HD11 LEU 95 HD11 LEU 95 13.575 4.855 15.213 742 HD12 LEU 95 HD12 LEU 95 14.766 3.637 15.667 743 HD13 LEU 95 HD13 LEU 95 14.780 5.217 16.449 744 HD21 LEU 95 HD21 LEU 95 13.435 1.806 17.297 745 HD22 LEU 95 HD22 LEU 95 13.503 2.687 18.823 746 HD23 LEU 95 HD23 LEU 95 14.875 2.733 17.716 747 H ALA 96 HN ALA 96 9.717 6.765 18.486 748 HA ALA 96 HA ALA 96 10.774 8.519 20.605 749 HB1 ALA 96 HB1 ALA 96 8.444 8.933 18.768 750 HB2 ALA 96 HB2 ALA 96 9.779 10.025 19.134 751 HB3 ALA 96 HB3 ALA 96 8.522 9.735 20.337 Start of MODEL 20 1 H MET 1 H MET 1 7.936 -16.585 4.450 2 HA MET 1 HA MET 1 5.988 -15.757 2.499 3 HB2 MET 1 HB2 MET 1 7.780 -14.242 4.406 4 HB3 MET 1 HB1 MET 1 6.320 -13.646 3.628 5 HG2 MET 1 HG2 MET 1 4.943 -14.709 5.074 6 HG3 MET 1 HG1 MET 1 6.047 -16.064 5.302 7 HE1 MET 1 HE1 MET 1 6.480 -12.127 5.769 8 HE2 MET 1 HE2 MET 1 6.200 -12.027 7.507 9 HE3 MET 1 HE3 MET 1 4.908 -12.569 6.435 10 H LEU 2 HN LEU 2 6.433 -14.932 0.560 11 HA LEU 2 HA LEU 2 9.215 -14.734 -0.276 12 HB2 LEU 2 HB2 LEU 2 6.975 -14.134 -2.135 13 HB3 LEU 2 HB1 LEU 2 8.481 -14.979 -2.434 14 HG LEU 2 HG LEU 2 6.060 -16.095 -1.019 15 HD11 LEU 2 HD11 LEU 2 5.414 -16.924 -2.975 16 HD12 LEU 2 HD12 LEU 2 7.034 -17.523 -3.332 17 HD13 LEU 2 HD13 LEU 2 6.602 -15.862 -3.731 18 HD21 LEU 2 HD21 LEU 2 7.641 -18.221 -1.479 19 HD22 LEU 2 HD22 LEU 2 7.627 -17.326 0.041 20 HD23 LEU 2 HD23 LEU 2 8.865 -16.989 -1.170 21 H THR 3 HN THR 3 10.074 -12.888 -1.328 22 HA THR 3 HA THR 3 8.872 -10.382 -0.383 23 HB THR 3 HB THR 3 11.512 -10.067 -1.520 24 HG1 THR 3 HG1 THR 3 11.786 -12.250 -0.796 25 HG21 THR 3 HG21 THR 3 10.635 -8.429 -0.044 26 HG22 THR 3 HG22 THR 3 11.953 -9.223 0.817 27 HG23 THR 3 HG23 THR 3 10.281 -9.635 1.193 28 HA PRO 4 HA PRO 4 7.964 -9.822 -4.773 29 HB2 PRO 4 HB2 PRO 4 5.893 -8.163 -4.443 30 HB3 PRO 4 HB1 PRO 4 5.747 -9.894 -4.114 31 HG2 PRO 4 HG2 PRO 4 6.097 -7.623 -2.202 32 HG3 PRO 4 HG1 PRO 4 5.067 -9.059 -2.060 33 HD2 PRO 4 HD2 PRO 4 7.539 -8.768 -0.858 34 HD3 PRO 4 HD1 PRO 4 6.763 -10.325 -1.207 35 H ALA 5 HN ALA 5 7.681 -7.821 -6.138 36 HA ALA 5 HA ALA 5 9.563 -5.770 -5.214 37 HB1 ALA 5 HB1 ALA 5 8.632 -6.403 -8.011 38 HB2 ALA 5 HB2 ALA 5 10.169 -6.881 -7.292 39 HB3 ALA 5 HB3 ALA 5 9.821 -5.175 -7.575 40 H PHE 6 HN PHE 6 7.444 -5.183 -3.925 41 HA PHE 6 HA PHE 6 5.393 -3.794 -5.302 42 HB2 PHE 6 HB2 PHE 6 4.636 -3.124 -3.133 43 HB3 PHE 6 HB1 PHE 6 5.228 -4.773 -2.988 44 HD1 PHE 6 HD2 PHE 6 5.855 -1.265 -2.146 45 HD2 PHE 6 HD1 PHE 6 7.195 -5.279 -1.708 46 HE1 PHE 6 HE2 PHE 6 7.347 -0.563 -0.321 47 HE2 PHE 6 HE1 PHE 6 8.689 -4.585 0.119 48 HZ PHE 6 HZ PHE 6 8.767 -2.224 0.815 49 H ASP 7 HN ASP 7 4.935 -1.474 -5.049 50 HA ASP 7 HA ASP 7 7.245 0.241 -4.626 51 HB2 ASP 7 HB2 ASP 7 5.935 -0.204 -7.282 52 HB3 ASP 7 HB1 ASP 7 6.577 1.387 -6.893 53 H LEU 8 HN LEU 8 6.725 2.399 -4.216 54 HA LEU 8 HA LEU 8 3.854 2.893 -3.783 55 HB2 LEU 8 HB2 LEU 8 5.935 4.425 -2.300 56 HB3 LEU 8 HB1 LEU 8 4.304 3.999 -1.816 57 HG LEU 8 HG LEU 8 6.388 1.864 -2.076 58 HD11 LEU 8 HD11 LEU 8 7.461 3.488 -0.678 59 HD12 LEU 8 HD12 LEU 8 6.862 2.180 0.342 60 HD13 LEU 8 HD13 LEU 8 5.992 3.711 0.271 61 HD21 LEU 8 HD21 LEU 8 4.791 0.575 -1.230 62 HD22 LEU 8 HD22 LEU 8 3.677 1.934 -1.388 63 HD23 LEU 8 HD23 LEU 8 4.548 1.678 0.124 64 H SER 9 HN SER 9 2.944 4.650 -4.626 65 HA SER 9 HA SER 9 4.597 6.829 -5.650 66 HB2 SER 9 HB2 SER 9 3.960 5.007 -7.455 67 HB3 SER 9 HB1 SER 9 2.393 5.814 -7.411 68 HG SER 9 HG SER 9 4.645 6.589 -8.633 69 H GLN 10 HN GLN 10 3.644 8.799 -5.375 70 HA GLN 10 HA GLN 10 0.812 8.790 -4.581 71 HB2 GLN 10 HB2 GLN 10 1.198 10.062 -2.684 72 HB3 GLN 10 HB1 GLN 10 2.559 8.952 -2.682 73 HG2 GLN 10 HG2 GLN 10 3.646 10.900 -2.252 74 HG3 GLN 10 HG1 GLN 10 3.722 10.897 -4.014 75 HE21 GLN 10 HE21 GLN 10 1.133 11.710 -1.735 76 HE22 GLN 10 HE22 GLN 10 0.874 13.311 -2.331 77 H ASP 11 HN ASP 11 -0.415 10.481 -5.175 78 HA ASP 11 HA ASP 11 0.771 12.374 -7.077 79 HB2 ASP 11 HB2 ASP 11 -1.598 10.825 -7.123 80 HB3 ASP 11 HB1 ASP 11 -2.108 12.501 -6.939 81 HA PRO 12 HA PRO 12 0.363 15.896 -4.484 82 HB2 PRO 12 HB2 PRO 12 -1.152 17.591 -6.102 83 HB3 PRO 12 HB1 PRO 12 0.606 17.431 -6.125 84 HG2 PRO 12 HG2 PRO 12 -1.435 16.195 -7.910 85 HG3 PRO 12 HG1 PRO 12 0.186 16.797 -8.301 86 HD2 PRO 12 HD2 PRO 12 -0.320 14.175 -8.085 87 HD3 PRO 12 HD1 PRO 12 1.221 14.867 -7.536 88 H ASP 13 HN ASP 13 -2.420 14.157 -5.455 89 HA ASP 13 HA ASP 13 -3.944 15.438 -3.306 90 HB2 ASP 13 HB2 ASP 13 -5.081 14.677 -6.003 91 HB3 ASP 13 HB1 ASP 13 -6.000 15.299 -4.638 92 H PHE 14 HN PHE 14 -2.421 12.810 -3.925 93 HA PHE 14 HA PHE 14 -4.118 11.115 -2.394 94 HB2 PHE 14 HB2 PHE 14 -3.704 10.145 -5.220 95 HB3 PHE 14 HB1 PHE 14 -4.704 9.429 -3.967 96 HD1 PHE 14 HD2 PHE 14 -4.427 12.208 -6.359 97 HD2 PHE 14 HD1 PHE 14 -6.927 10.147 -3.600 98 HE1 PHE 14 HE2 PHE 14 -6.383 13.413 -7.238 99 HE2 PHE 14 HE1 PHE 14 -8.889 11.348 -4.474 100 HZ PHE 14 HZ PHE 14 -8.618 12.984 -6.296 101 H LEU 15 HN LEU 15 -3.291 8.841 -2.319 102 HA LEU 15 HA LEU 15 -0.402 8.632 -2.826 103 HB2 LEU 15 HB2 LEU 15 -0.484 9.124 -0.500 104 HB3 LEU 15 HB1 LEU 15 -1.875 8.087 -0.256 105 HG LEU 15 HG LEU 15 0.411 7.276 0.591 106 HD11 LEU 15 HD11 LEU 15 -0.918 5.298 -1.214 107 HD12 LEU 15 HD12 LEU 15 -1.776 5.956 0.179 108 HD13 LEU 15 HD13 LEU 15 -0.267 5.073 0.409 109 HD21 LEU 15 HD21 LEU 15 2.036 6.695 -0.841 110 HD22 LEU 15 HD22 LEU 15 1.215 7.789 -1.954 111 HD23 LEU 15 HD23 LEU 15 0.901 6.056 -2.030 112 H THR 16 HN THR 16 -0.229 6.939 -4.262 113 HA THR 16 HA THR 16 -2.186 4.777 -4.029 114 HB THR 16 HB THR 16 -0.322 5.399 -6.326 115 HG1 THR 16 HG1 THR 16 -1.922 6.555 -7.208 116 HG21 THR 16 HG21 THR 16 -1.315 3.714 -7.504 117 HG22 THR 16 HG22 THR 16 -2.833 3.837 -6.615 118 HG23 THR 16 HG23 THR 16 -1.442 3.040 -5.879 119 H ILE 17 HN ILE 17 -1.585 2.712 -3.690 120 HA ILE 17 HA ILE 17 1.286 2.198 -3.276 121 HB ILE 17 HB ILE 17 -1.020 0.759 -1.958 122 HG12 ILE 17 HG12 ILE 17 0.520 3.194 -1.200 123 HG13 ILE 17 HG11 ILE 17 -1.162 2.788 -0.881 124 HG21 ILE 17 HG21 ILE 17 1.331 -0.317 -2.329 125 HG22 ILE 17 HG22 ILE 17 0.525 -0.467 -0.769 126 HG23 ILE 17 HG23 ILE 17 1.803 0.728 -0.990 127 HD11 ILE 17 HD11 ILE 17 1.286 2.075 0.648 128 HD12 ILE 17 HD12 ILE 17 -0.114 1.004 0.715 129 HD13 ILE 17 HD13 ILE 17 -0.266 2.688 1.218 130 H ALA 18 HN ALA 18 2.123 0.186 -3.975 131 HA ALA 18 HA ALA 18 0.367 -1.336 -5.779 132 HB1 ALA 18 HB1 ALA 18 2.696 0.190 -6.503 133 HB2 ALA 18 HB2 ALA 18 1.539 -0.652 -7.534 134 HB3 ALA 18 HB3 ALA 18 2.929 -1.518 -6.878 135 H ILE 19 HN ILE 19 0.266 -3.393 -5.212 136 HA ILE 19 HA ILE 19 2.627 -4.640 -3.976 137 HB ILE 19 HB ILE 19 -0.215 -5.352 -3.258 138 HG12 ILE 19 HG12 ILE 19 1.698 -3.496 -1.822 139 HG13 ILE 19 HG11 ILE 19 0.172 -3.044 -2.575 140 HG21 ILE 19 HG21 ILE 19 0.693 -6.691 -1.584 141 HG22 ILE 19 HG22 ILE 19 2.253 -5.870 -1.640 142 HG23 ILE 19 HG23 ILE 19 1.778 -6.953 -2.950 143 HD11 ILE 19 HD11 ILE 19 0.084 -3.229 -0.106 144 HD12 ILE 19 HD12 ILE 19 0.411 -4.954 -0.265 145 HD13 ILE 19 HD13 ILE 19 -1.066 -4.269 -0.943 146 H ARG 20 HN ARG 20 3.373 -6.236 -5.218 147 HA ARG 20 HA ARG 20 1.650 -7.366 -7.269 148 HB2 ARG 20 HB2 ARG 20 4.469 -6.886 -6.979 149 HB3 ARG 20 HB1 ARG 20 4.190 -8.575 -7.386 150 HG2 ARG 20 HG2 ARG 20 2.925 -7.928 -9.342 151 HG3 ARG 20 HG1 ARG 20 3.097 -6.225 -8.919 152 HD2 ARG 20 HD2 ARG 20 5.187 -6.113 -9.731 153 HD3 ARG 20 HD1 ARG 20 5.629 -7.689 -9.073 154 HE ARG 20 HE ARG 20 3.925 -8.188 -11.186 155 HH11 ARG 20 HH11 ARG 20 7.015 -6.655 -10.711 156 HH12 ARG 20 HH12 ARG 20 7.596 -7.041 -12.297 157 HH21 ARG 20 HH21 ARG 20 4.675 -8.699 -13.275 158 HH22 ARG 20 HH22 ARG 20 6.263 -8.202 -13.756 159 H VAL 21 HN VAL 21 0.579 -9.174 -7.009 160 HA VAL 21 HA VAL 21 1.732 -11.348 -5.421 161 HB VAL 21 HB VAL 21 -0.556 -11.781 -4.432 162 HG11 VAL 21 HG11 VAL 21 1.548 -10.342 -3.493 163 HG12 VAL 21 HG12 VAL 21 0.128 -10.780 -2.543 164 HG13 VAL 21 HG13 VAL 21 0.227 -9.190 -3.301 165 HG21 VAL 21 HG21 VAL 21 -1.455 -9.921 -6.147 166 HG22 VAL 21 HG22 VAL 21 -1.215 -8.914 -4.718 167 HG23 VAL 21 HG23 VAL 21 -2.276 -10.321 -4.637 168 H SER 22 HN SER 22 1.530 -13.264 -6.407 169 HA SER 22 HA SER 22 -0.356 -13.458 -8.658 170 HB2 SER 22 HB2 SER 22 1.464 -15.566 -8.885 171 HB3 SER 22 HB1 SER 22 1.456 -14.076 -9.827 172 HG SER 22 HG SER 22 2.897 -14.628 -7.452 173 H TYR 23 HN TYR 23 1.342 -15.864 -6.653 174 HA TYR 23 HA TYR 23 -0.534 -17.855 -6.769 175 HB2 TYR 23 HB2 TYR 23 1.454 -17.098 -4.654 176 HB3 TYR 23 HB1 TYR 23 0.361 -18.453 -4.396 177 HD1 TYR 23 HD1 TYR 23 1.771 -17.543 -7.679 178 HD2 TYR 23 HD2 TYR 23 2.022 -20.166 -4.340 179 HE1 TYR 23 HE1 TYR 23 3.289 -19.003 -8.949 180 HE2 TYR 23 HE2 TYR 23 3.542 -21.633 -5.599 181 HH TYR 23 HH TYR 23 5.260 -21.080 -7.766 182 H ALA 24 HN ALA 24 -0.284 -15.382 -4.236 183 HA ALA 24 HA ALA 24 -1.764 -14.813 -2.558 184 HB1 ALA 24 HB1 ALA 24 -2.725 -13.303 -3.971 185 HB2 ALA 24 HB2 ALA 24 -4.122 -14.341 -3.686 186 HB3 ALA 24 HB3 ALA 24 -3.170 -14.529 -5.158 187 H ARG 25 HN ARG 25 -1.964 -16.569 -1.217 188 HA ARG 25 HA ARG 25 -3.569 -18.838 -1.883 189 HB2 ARG 25 HB2 ARG 25 -1.787 -18.039 0.270 190 HB3 ARG 25 HB1 ARG 25 -3.200 -18.896 0.867 191 HG2 ARG 25 HG2 ARG 25 -1.518 -19.954 -1.381 192 HG3 ARG 25 HG1 ARG 25 -1.157 -20.289 0.313 193 HD2 ARG 25 HD2 ARG 25 -3.946 -20.752 -0.295 194 HD3 ARG 25 HD1 ARG 25 -2.892 -21.700 -1.344 195 HE ARG 25 HE ARG 25 -2.035 -21.912 1.339 196 HH11 ARG 25 HH11 ARG 25 -4.575 -22.964 -0.800 197 HH12 ARG 25 HH12 ARG 25 -4.885 -24.426 0.077 198 HH21 ARG 25 HH21 ARG 25 -2.435 -23.834 2.500 199 HH22 ARG 25 HH22 ARG 25 -3.670 -24.918 1.953 200 H VAL 26 HN VAL 26 -4.595 -15.848 -1.286 201 HA VAL 26 HA VAL 26 -7.028 -16.799 0.073 202 HB VAL 26 HB VAL 26 -7.284 -14.537 1.063 203 HG11 VAL 26 HG11 VAL 26 -5.764 -14.880 2.879 204 HG12 VAL 26 HG12 VAL 26 -4.692 -15.847 1.866 205 HG13 VAL 26 HG13 VAL 26 -6.289 -16.461 2.297 206 HG21 VAL 26 HG21 VAL 26 -5.958 -13.214 -0.428 207 HG22 VAL 26 HG22 VAL 26 -4.508 -14.140 -0.040 208 HG23 VAL 26 HG23 VAL 26 -5.245 -13.103 1.181 209 H SER 27 HN SER 27 -8.910 -16.327 -0.914 210 HA SER 27 HA SER 27 -8.971 -15.438 -3.560 211 HB2 SER 27 HB2 SER 27 -11.092 -16.169 -3.447 212 HB3 SER 27 HB1 SER 27 -10.816 -16.509 -1.739 213 HG SER 27 HG SER 27 -11.754 -14.056 -2.821 214 H GLU 28 HN GLU 28 -9.567 -13.705 -0.540 215 HA GLU 28 HA GLU 28 -9.373 -11.192 -2.055 216 HB2 GLU 28 HB2 GLU 28 -11.728 -11.743 -1.259 217 HB3 GLU 28 HB1 GLU 28 -11.123 -11.517 0.377 218 HG2 GLU 28 HG2 GLU 28 -11.452 -9.341 0.202 219 HG3 GLU 28 HG1 GLU 28 -10.324 -9.274 -1.151 220 H PHE 29 HN PHE 29 -8.345 -9.480 -1.022 221 HA PHE 29 HA PHE 29 -6.564 -10.310 1.143 222 HB2 PHE 29 HB2 PHE 29 -6.231 -7.698 -0.247 223 HB3 PHE 29 HB1 PHE 29 -5.012 -8.832 0.323 224 HD1 PHE 29 HD1 PHE 29 -5.996 -11.323 -0.967 225 HD2 PHE 29 HD2 PHE 29 -5.595 -7.366 -2.483 226 HE1 PHE 29 HE1 PHE 29 -5.761 -12.226 -3.243 227 HE2 PHE 29 HE2 PHE 29 -5.356 -8.261 -4.764 228 HZ PHE 29 HZ PHE 29 -5.440 -10.694 -5.145 229 H ASP 30 HN ASP 30 -5.929 -8.524 2.692 230 HA ASP 30 HA ASP 30 -8.365 -7.142 3.607 231 HB2 ASP 30 HB2 ASP 30 -6.575 -8.885 4.971 232 HB3 ASP 30 HB1 ASP 30 -6.386 -7.278 5.668 233 H VAL 31 HN VAL 31 -8.331 -5.011 3.340 234 HA VAL 31 HA VAL 31 -5.716 -3.655 3.375 235 HB VAL 31 HB VAL 31 -8.151 -2.733 1.855 236 HG11 VAL 31 HG11 VAL 31 -5.267 -1.857 1.849 237 HG12 VAL 31 HG12 VAL 31 -6.663 -0.929 2.398 238 HG13 VAL 31 HG13 VAL 31 -6.477 -1.313 0.686 239 HG21 VAL 31 HG21 VAL 31 -7.701 -4.288 0.333 240 HG22 VAL 31 HG22 VAL 31 -6.277 -4.820 1.228 241 HG23 VAL 31 HG23 VAL 31 -6.145 -3.504 0.061 242 H TYR 32 HN TYR 32 -5.449 -2.461 5.102 243 HA TYR 32 HA TYR 32 -7.730 -0.921 6.146 244 HB2 TYR 32 HB2 TYR 32 -5.547 -2.289 7.736 245 HB3 TYR 32 HB1 TYR 32 -6.717 -1.163 8.417 246 HD1 TYR 32 HD2 TYR 32 -9.212 -1.779 8.159 247 HD2 TYR 32 HD1 TYR 32 -6.038 -4.565 7.640 248 HE1 TYR 32 HE2 TYR 32 -10.785 -3.632 8.531 249 HE2 TYR 32 HE1 TYR 32 -7.602 -6.425 8.009 250 HH TYR 32 HH TYR 32 -10.975 -5.844 8.893 251 H PHE 33 HN PHE 33 -7.374 1.182 5.878 252 HA PHE 33 HA PHE 33 -4.589 2.132 5.971 253 HB2 PHE 33 HB2 PHE 33 -5.142 3.809 4.319 254 HB3 PHE 33 HB1 PHE 33 -5.571 2.219 3.702 255 HD1 PHE 33 HD1 PHE 33 -7.972 1.504 3.748 256 HD2 PHE 33 HD2 PHE 33 -6.756 5.507 4.526 257 HE1 PHE 33 HE1 PHE 33 -10.263 2.281 3.302 258 HE2 PHE 33 HE2 PHE 33 -9.046 6.292 4.083 259 HZ PHE 33 HZ PHE 33 -10.803 4.677 3.471 260 H GLU 34 HN GLU 34 -4.168 3.382 7.613 261 HA GLU 34 HA GLU 34 -6.170 5.316 8.532 262 HB2 GLU 34 HB2 GLU 34 -5.294 4.789 10.907 263 HB3 GLU 34 HB1 GLU 34 -6.464 3.689 10.189 264 HG2 GLU 34 HG2 GLU 34 -4.011 2.674 9.402 265 HG3 GLU 34 HG1 GLU 34 -3.752 3.201 11.065 266 H GLY 35 HN GLY 35 -5.070 7.062 7.702 267 HA2 GLY 35 HA2 GLY 35 -3.420 8.647 7.496 268 HA3 GLY 35 HA1 GLY 35 -3.015 8.227 9.155 269 H SER 36 HN SER 36 -0.795 8.416 8.881 270 HA SER 36 HA SER 36 0.738 7.416 6.808 271 HB2 SER 36 HB2 SER 36 2.256 7.087 9.174 272 HB3 SER 36 HB1 SER 36 2.297 8.438 8.042 273 HG SER 36 HG SER 36 1.792 9.215 10.082 274 H ASP 37 HN ASP 37 -1.022 5.638 9.105 275 HA ASP 37 HA ASP 37 0.686 3.295 8.983 276 HB2 ASP 37 HB2 ASP 37 -1.060 4.226 10.882 277 HB3 ASP 37 HB1 ASP 37 -2.004 2.956 10.110 278 H PHE 38 HN PHE 38 0.607 1.933 7.331 279 HA PHE 38 HA PHE 38 -1.987 1.436 6.025 280 HB2 PHE 38 HB2 PHE 38 -0.684 2.784 4.496 281 HB3 PHE 38 HB1 PHE 38 0.713 1.729 4.694 282 HD1 PHE 38 HD2 PHE 38 -2.574 2.112 3.147 283 HD2 PHE 38 HD1 PHE 38 0.811 -0.433 3.600 284 HE1 PHE 38 HE2 PHE 38 -3.344 0.754 1.245 285 HE2 PHE 38 HE1 PHE 38 0.044 -1.793 1.699 286 HZ PHE 38 HZ PHE 38 -2.034 -1.201 0.520 287 H LYS 39 HN LYS 39 -2.563 -0.599 6.480 288 HA LYS 39 HA LYS 39 -0.446 -2.649 6.526 289 HB2 LYS 39 HB2 LYS 39 -2.766 -3.556 7.915 290 HB3 LYS 39 HB1 LYS 39 -1.146 -3.285 8.542 291 HG2 LYS 39 HG2 LYS 39 -1.713 -0.920 8.924 292 HG3 LYS 39 HG1 LYS 39 -3.352 -1.244 8.355 293 HD2 LYS 39 HD2 LYS 39 -3.541 -1.375 10.675 294 HD3 LYS 39 HD1 LYS 39 -3.399 -3.061 10.175 295 HE2 LYS 39 HE2 LYS 39 -0.861 -2.699 10.560 296 HE3 LYS 39 HE1 LYS 39 -1.376 -1.304 11.509 297 HZ1 LYS 39 HZ1 LYS 39 -2.331 -2.617 13.092 298 HZ2 LYS 39 HZ2 LYS 39 -1.075 -3.640 12.609 299 HZ3 LYS 39 HZ3 LYS 39 -2.643 -3.896 12.029 300 H PHE 40 HN PHE 40 -0.633 -4.339 5.210 301 HA PHE 40 HA PHE 40 -3.226 -4.827 3.893 302 HB2 PHE 40 HB2 PHE 40 -1.601 -3.719 2.359 303 HB3 PHE 40 HB1 PHE 40 -0.494 -5.061 2.611 304 HD1 PHE 40 HD2 PHE 40 -3.740 -4.093 1.168 305 HD2 PHE 40 HD1 PHE 40 -0.774 -7.128 1.487 306 HE1 PHE 40 HE2 PHE 40 -4.810 -5.328 -0.672 307 HE2 PHE 40 HE1 PHE 40 -1.838 -8.367 -0.352 308 HZ PHE 40 HZ PHE 40 -3.860 -7.468 -1.434 309 H TYR 41 HN TYR 41 -3.936 -6.752 4.708 310 HA TYR 41 HA TYR 41 -1.935 -8.859 5.130 311 HB2 TYR 41 HB2 TYR 41 -4.747 -8.708 6.235 312 HB3 TYR 41 HB1 TYR 41 -3.494 -9.861 6.685 313 HD1 TYR 41 HD2 TYR 41 -1.202 -8.583 7.429 314 HD2 TYR 41 HD1 TYR 41 -5.151 -7.037 7.758 315 HE1 TYR 41 HE2 TYR 41 -0.456 -7.074 9.222 316 HE2 TYR 41 HE1 TYR 41 -4.417 -5.523 9.550 317 HH TYR 41 HH TYR 41 -2.371 -5.633 11.329 318 H ALA 42 HN ALA 42 -1.785 -10.128 3.426 319 HA ALA 42 HA ALA 42 -4.222 -11.352 2.367 320 HB1 ALA 42 HB1 ALA 42 -2.102 -10.535 0.424 321 HB2 ALA 42 HB2 ALA 42 -3.331 -9.374 0.922 322 HB3 ALA 42 HB3 ALA 42 -3.807 -10.883 0.142 323 H LYS 43 HN LYS 43 -3.986 -13.494 2.516 324 HA LYS 43 HA LYS 43 -2.914 -15.484 2.993 325 HB2 LYS 43 HB2 LYS 43 -1.808 -16.295 0.956 326 HB3 LYS 43 HB1 LYS 43 -3.222 -15.357 0.562 327 HG2 LYS 43 HG2 LYS 43 -0.697 -13.854 0.638 328 HG3 LYS 43 HG1 LYS 43 -0.869 -15.038 -0.659 329 HD2 LYS 43 HD2 LYS 43 -2.942 -14.016 -1.372 330 HD3 LYS 43 HD1 LYS 43 -2.896 -12.898 -0.012 331 HE2 LYS 43 HE2 LYS 43 -0.761 -11.989 -0.913 332 HE3 LYS 43 HE1 LYS 43 -0.973 -13.020 -2.328 333 HZ1 LYS 43 HZ1 LYS 43 -2.644 -10.736 -1.464 334 HZ2 LYS 43 HZ2 LYS 43 -3.195 -11.870 -2.589 335 HZ3 LYS 43 HZ3 LYS 43 -1.825 -10.941 -2.930 336 HA PRO 44 HA PRO 44 1.256 -15.568 4.651 337 HB2 PRO 44 HB2 PRO 44 2.711 -16.055 2.087 338 HB3 PRO 44 HB1 PRO 44 2.895 -16.854 3.655 339 HG2 PRO 44 HG2 PRO 44 1.597 -18.068 1.688 340 HG3 PRO 44 HG1 PRO 44 0.993 -18.163 3.353 341 HD2 PRO 44 HD2 PRO 44 0.001 -16.525 1.064 342 HD3 PRO 44 HD1 PRO 44 -0.917 -17.332 2.352 343 H TYR 45 HN TYR 45 0.722 -13.664 1.824 344 HA TYR 45 HA TYR 45 3.021 -11.986 2.056 345 HB2 TYR 45 HB2 TYR 45 0.433 -11.783 0.537 346 HB3 TYR 45 HB1 TYR 45 1.617 -10.482 0.523 347 HD1 TYR 45 HD1 TYR 45 4.072 -11.236 -0.071 348 HD2 TYR 45 HD2 TYR 45 0.573 -13.422 -1.101 349 HE1 TYR 45 HE1 TYR 45 5.313 -12.370 -1.859 350 HE2 TYR 45 HE2 TYR 45 1.801 -14.562 -2.902 351 HH TYR 45 HH TYR 45 3.870 -14.980 -3.735 352 H PHE 46 HN PHE 46 3.332 -10.657 3.723 353 HA PHE 46 HA PHE 46 1.021 -9.159 4.778 354 HB2 PHE 46 HB2 PHE 46 1.598 -10.535 6.573 355 HB3 PHE 46 HB1 PHE 46 3.315 -10.473 6.197 356 HD1 PHE 46 HD2 PHE 46 0.768 -7.813 6.784 357 HD2 PHE 46 HD1 PHE 46 4.448 -9.581 7.982 358 HE1 PHE 46 HE2 PHE 46 1.065 -6.043 8.467 359 HE2 PHE 46 HE1 PHE 46 4.752 -7.816 9.669 360 HZ PHE 46 HZ PHE 46 3.059 -6.043 9.912 361 H LEU 47 HN LEU 47 1.147 -7.075 4.248 362 HA LEU 47 HA LEU 47 3.822 -5.864 4.064 363 HB2 LEU 47 HB2 LEU 47 1.554 -5.809 2.227 364 HB3 LEU 47 HB1 LEU 47 2.206 -4.223 2.578 365 HG LEU 47 HG LEU 47 3.571 -6.548 1.259 366 HD11 LEU 47 HD11 LEU 47 3.707 -3.696 0.403 367 HD12 LEU 47 HD12 LEU 47 2.235 -4.620 0.101 368 HD13 LEU 47 HD13 LEU 47 3.773 -5.169 -0.565 369 HD21 LEU 47 HD21 LEU 47 5.449 -6.055 2.355 370 HD22 LEU 47 HD22 LEU 47 4.758 -4.587 3.046 371 HD23 LEU 47 HD23 LEU 47 5.465 -4.553 1.431 372 H ARG 48 HN ARG 48 4.223 -4.527 5.643 373 HA ARG 48 HA ARG 48 2.083 -2.740 6.598 374 HB2 ARG 48 HB2 ARG 48 2.435 -4.122 8.453 375 HB3 ARG 48 HB1 ARG 48 4.157 -4.273 8.137 376 HG2 ARG 48 HG2 ARG 48 3.269 -1.544 8.719 377 HG3 ARG 48 HG1 ARG 48 3.058 -2.688 10.045 378 HD2 ARG 48 HD2 ARG 48 5.625 -3.051 8.800 379 HD3 ARG 48 HD1 ARG 48 5.408 -1.368 9.279 380 HE ARG 48 HE ARG 48 5.807 -3.601 11.006 381 HH11 ARG 48 HH11 ARG 48 4.262 -0.492 10.754 382 HH12 ARG 48 HH12 ARG 48 4.267 -0.206 12.462 383 HH21 ARG 48 HH21 ARG 48 5.821 -3.235 13.258 384 HH22 ARG 48 HH22 ARG 48 5.154 -1.765 13.886 385 H LEU 49 HN LEU 49 2.531 -0.712 5.974 386 HA LEU 49 HA LEU 49 5.335 0.166 6.052 387 HB2 LEU 49 HB2 LEU 49 3.366 0.680 3.827 388 HB3 LEU 49 HB1 LEU 49 4.935 1.449 3.965 389 HG LEU 49 HG LEU 49 4.415 -1.492 3.541 390 HD11 LEU 49 HD11 LEU 49 5.726 0.551 1.756 391 HD12 LEU 49 HD12 LEU 49 4.077 -0.049 1.571 392 HD13 LEU 49 HD13 LEU 49 5.441 -1.150 1.386 393 HD21 LEU 49 HD21 LEU 49 6.399 -1.826 4.492 394 HD22 LEU 49 HD22 LEU 49 6.720 -0.096 4.597 395 HD23 LEU 49 HD23 LEU 49 7.102 -0.975 3.117 396 H THR 50 HN THR 50 5.720 2.243 6.640 397 HA THR 50 HA THR 50 3.417 3.749 7.677 398 HB THR 50 HB THR 50 6.344 4.046 8.388 399 HG1 THR 50 HG1 THR 50 5.476 2.097 9.223 400 HG21 THR 50 HG21 THR 50 4.302 5.873 8.692 401 HG22 THR 50 HG22 THR 50 5.806 5.838 9.611 402 HG23 THR 50 HG23 THR 50 4.360 5.064 10.257 403 H LEU 51 HN LEU 51 2.745 5.135 6.142 404 HA LEU 51 HA LEU 51 4.348 6.237 4.118 405 HB2 LEU 51 HB2 LEU 51 1.745 7.276 5.236 406 HB3 LEU 51 HB1 LEU 51 2.461 7.751 3.708 407 HG LEU 51 HG LEU 51 1.492 4.974 4.390 408 HD11 LEU 51 HD11 LEU 51 -0.316 6.629 4.140 409 HD12 LEU 51 HD12 LEU 51 -0.321 5.418 2.858 410 HD13 LEU 51 HD13 LEU 51 0.303 7.037 2.540 411 HD21 LEU 51 HD21 LEU 51 1.945 4.414 2.110 412 HD22 LEU 51 HD22 LEU 51 3.415 5.099 2.804 413 HD23 LEU 51 HD23 LEU 51 2.404 6.076 1.738 414 HA PRO 52 HA PRO 52 6.571 9.509 6.048 415 HB2 PRO 52 HB2 PRO 52 6.039 11.074 3.590 416 HB3 PRO 52 HB1 PRO 52 7.581 10.610 4.315 417 HG2 PRO 52 HG2 PRO 52 6.699 9.432 2.088 418 HG3 PRO 52 HG1 PRO 52 7.563 8.511 3.333 419 HD2 PRO 52 HD2 PRO 52 4.629 8.624 2.750 420 HD3 PRO 52 HD1 PRO 52 5.636 7.233 3.201 421 H GLY 53 HN GLY 53 3.415 10.020 4.666 422 HA2 GLY 53 HA2 GLY 53 3.045 12.313 6.492 423 HA3 GLY 53 HA1 GLY 53 2.345 12.281 4.880 424 H ARG 54 HN ARG 54 0.228 11.966 4.981 425 HA ARG 54 HA ARG 54 -0.821 9.699 6.438 426 HB2 ARG 54 HB2 ARG 54 -1.125 12.463 7.389 427 HB3 ARG 54 HB1 ARG 54 -2.636 11.572 7.264 428 HG2 ARG 54 HG2 ARG 54 -2.084 10.121 8.927 429 HG3 ARG 54 HG1 ARG 54 -0.353 10.229 8.598 430 HD2 ARG 54 HD2 ARG 54 -1.419 12.773 9.456 431 HD3 ARG 54 HD1 ARG 54 -1.766 11.508 10.633 432 HE ARG 54 HE ARG 54 0.836 11.106 10.144 433 HH11 ARG 54 HH11 ARG 54 -0.968 13.995 10.866 434 HH12 ARG 54 HH12 ARG 54 0.354 14.777 11.665 435 HH21 ARG 54 HH21 ARG 54 2.585 12.125 11.194 436 HH22 ARG 54 HH22 ARG 54 2.376 13.714 11.851 437 H ILE 55 HN ILE 55 -2.891 9.062 5.754 438 HA ILE 55 HA ILE 55 -3.845 10.437 3.324 439 HB ILE 55 HB ILE 55 -3.896 7.491 3.987 440 HG12 ILE 55 HG12 ILE 55 -1.726 8.174 3.221 441 HG13 ILE 55 HG11 ILE 55 -2.524 7.335 1.894 442 HG21 ILE 55 HG21 ILE 55 -4.754 8.464 1.328 443 HG22 ILE 55 HG22 ILE 55 -5.882 8.676 2.667 444 HG23 ILE 55 HG23 ILE 55 -5.293 7.066 2.257 445 HD11 ILE 55 HD11 ILE 55 -1.285 9.360 1.208 446 HD12 ILE 55 HD12 ILE 55 -2.396 10.327 2.177 447 HD13 ILE 55 HD13 ILE 55 -2.999 9.409 0.796 448 H VAL 56 HN VAL 56 -5.822 11.293 3.485 449 HA VAL 56 HA VAL 56 -7.369 11.198 5.774 450 HB VAL 56 HB VAL 56 -7.457 12.882 3.871 451 HG11 VAL 56 HG11 VAL 56 -9.013 12.510 2.089 452 HG12 VAL 56 HG12 VAL 56 -9.480 10.947 2.758 453 HG13 VAL 56 HG13 VAL 56 -7.858 11.177 2.105 454 HG21 VAL 56 HG21 VAL 56 -9.956 11.816 5.168 455 HG22 VAL 56 HG22 VAL 56 -9.907 13.324 4.255 456 HG23 VAL 56 HG23 VAL 56 -8.931 13.143 5.713 457 H GLU 57 HN GLU 57 -9.373 10.308 6.264 458 HA GLU 57 HA GLU 57 -10.042 7.833 4.811 459 HB2 GLU 57 HB2 GLU 57 -9.094 7.366 7.035 460 HB3 GLU 57 HB1 GLU 57 -10.314 8.396 7.774 461 HG2 GLU 57 HG2 GLU 57 -11.965 6.760 6.550 462 HG3 GLU 57 HG1 GLU 57 -10.578 5.676 6.608 463 H ASN 58 HN ASN 58 -12.026 7.798 3.955 464 HA ASN 58 HA ASN 58 -14.329 8.830 5.221 465 HB2 ASN 58 HB2 ASN 58 -12.876 10.858 4.127 466 HB3 ASN 58 HB1 ASN 58 -13.938 10.443 2.785 467 HD21 ASN 58 HD21 ASN 58 -13.710 11.795 5.945 468 HD22 ASN 58 HD22 ASN 58 -15.341 12.355 6.057 469 H GLY 59 HN GLY 59 -13.306 6.508 3.695 470 HA2 GLY 59 HA2 GLY 59 -14.419 4.897 2.449 471 HA3 GLY 59 HA1 GLY 59 -15.685 6.068 2.118 472 H SER 60 HN SER 60 -13.815 8.072 1.031 473 HA SER 60 HA SER 60 -13.899 7.311 -1.660 474 HB2 SER 60 HB2 SER 60 -12.000 9.272 -1.644 475 HB3 SER 60 HB1 SER 60 -13.738 9.572 -1.620 476 HG SER 60 HG SER 60 -13.622 10.160 0.416 477 H GLU 61 HN GLU 61 -12.681 5.924 -2.736 478 HA GLU 61 HA GLU 61 -9.863 5.865 -2.600 479 HB2 GLU 61 HB2 GLU 61 -9.634 3.531 -1.718 480 HB3 GLU 61 HB1 GLU 61 -10.120 4.718 -0.515 481 HG2 GLU 61 HG2 GLU 61 -11.726 3.288 0.032 482 HG3 GLU 61 HG1 GLU 61 -12.523 3.790 -1.458 483 H GLN 62 HN GLN 62 -8.951 4.106 -3.969 484 HA GLN 62 HA GLN 62 -10.878 2.871 -5.782 485 HB2 GLN 62 HB2 GLN 62 -9.013 5.056 -6.479 486 HB3 GLN 62 HB1 GLN 62 -9.062 3.706 -7.605 487 HG2 GLN 62 HG2 GLN 62 -11.457 3.984 -7.869 488 HG3 GLN 62 HG1 GLN 62 -11.448 5.297 -6.694 489 HE21 GLN 62 HE21 GLN 62 -9.267 6.728 -7.423 490 HE22 GLN 62 HE22 GLN 62 -9.481 7.382 -9.007 491 H GLY 63 HN GLY 63 -10.271 0.896 -6.463 492 HA2 GLY 63 HA2 GLY 63 -7.444 0.132 -6.213 493 HA3 GLY 63 HA1 GLY 63 -8.660 -0.824 -5.380 494 H SER 64 HN SER 64 -6.751 -1.487 -7.561 495 HA SER 64 HA SER 64 -8.714 -2.726 -9.348 496 HB2 SER 64 HB2 SER 64 -6.462 -2.139 -10.951 497 HB3 SER 64 HB1 SER 64 -8.086 -1.468 -11.094 498 HG SER 64 HG SER 64 -6.319 0.082 -10.792 499 H TYR 65 HN TYR 65 -8.435 -4.837 -9.050 500 HA TYR 65 HA TYR 65 -5.721 -5.855 -8.577 501 HB2 TYR 65 HB2 TYR 65 -7.253 -6.460 -6.822 502 HB3 TYR 65 HB1 TYR 65 -8.429 -7.062 -7.988 503 HD1 TYR 65 HD1 TYR 65 -4.789 -7.625 -7.318 504 HD2 TYR 65 HD2 TYR 65 -8.614 -9.356 -8.003 505 HE1 TYR 65 HE1 TYR 65 -3.798 -9.868 -7.150 506 HE2 TYR 65 HE2 TYR 65 -7.634 -11.604 -7.835 507 HH TYR 65 HH TYR 65 -4.180 -12.093 -7.652 508 H ASP 66 HN ASP 66 -4.706 -6.808 -10.191 509 HA ASP 66 HA ASP 66 -6.305 -8.028 -12.344 510 HB2 ASP 66 HB2 ASP 66 -4.868 -6.020 -12.935 511 HB3 ASP 66 HB1 ASP 66 -3.465 -7.027 -12.593 512 H ALA 67 HN ALA 67 -6.342 -10.163 -12.115 513 HA ALA 67 HA ALA 67 -4.409 -11.632 -10.648 514 HB1 ALA 67 HB1 ALA 67 -5.954 -13.262 -12.478 515 HB2 ALA 67 HB2 ALA 67 -6.966 -12.128 -11.583 516 HB3 ALA 67 HB3 ALA 67 -5.927 -13.258 -10.715 517 H ASP 68 HN ASP 68 -5.143 -11.522 -14.136 518 HA ASP 68 HA ASP 68 -3.105 -13.221 -14.986 519 HB2 ASP 68 HB2 ASP 68 -4.953 -12.467 -16.434 520 HB3 ASP 68 HB1 ASP 68 -4.267 -10.845 -16.457 521 H LYS 69 HN LYS 69 -3.098 -9.672 -14.727 522 HA LYS 69 HA LYS 69 -0.342 -9.443 -15.455 523 HB2 LYS 69 HB2 LYS 69 -1.946 -7.626 -15.858 524 HB3 LYS 69 HB1 LYS 69 -2.177 -7.443 -14.124 525 HG2 LYS 69 HG2 LYS 69 0.041 -6.652 -13.825 526 HG3 LYS 69 HG1 LYS 69 0.485 -7.089 -15.476 527 HD2 LYS 69 HD2 LYS 69 0.112 -4.679 -15.253 528 HD3 LYS 69 HD1 LYS 69 -1.062 -5.415 -16.346 529 HE2 LYS 69 HE2 LYS 69 -2.316 -5.597 -13.915 530 HE3 LYS 69 HE1 LYS 69 -1.463 -4.058 -13.788 531 HZ1 LYS 69 HZ1 LYS 69 -3.356 -3.356 -14.786 532 HZ2 LYS 69 HZ2 LYS 69 -3.651 -4.830 -15.560 533 HZ3 LYS 69 HZ3 LYS 69 -2.495 -3.765 -16.184 534 H GLY 70 HN GLY 70 -2.045 -10.052 -12.525 535 HA2 GLY 70 HA2 GLY 70 -1.319 -10.434 -10.381 536 HA3 GLY 70 HA1 GLY 70 0.281 -10.661 -11.071 537 H ILE 71 HN ILE 71 -1.982 -7.985 -10.428 538 HA ILE 71 HA ILE 71 0.026 -6.626 -8.853 539 HB ILE 71 HB ILE 71 -0.877 -5.482 -11.491 540 HG12 ILE 71 HG12 ILE 71 1.806 -6.201 -10.304 541 HG13 ILE 71 HG11 ILE 71 1.051 -6.870 -11.748 542 HG21 ILE 71 HG21 ILE 71 0.044 -4.145 -9.022 543 HG22 ILE 71 HG22 ILE 71 -1.009 -3.557 -10.308 544 HG23 ILE 71 HG23 ILE 71 0.739 -3.574 -10.539 545 HD11 ILE 71 HD11 ILE 71 2.840 -5.369 -12.350 546 HD12 ILE 71 HD12 ILE 71 2.098 -4.070 -11.417 547 HD13 ILE 71 HD13 ILE 71 1.291 -4.694 -12.855 548 H PHE 72 HN PHE 72 -0.874 -5.467 -7.294 549 HA PHE 72 HA PHE 72 -3.725 -4.759 -7.544 550 HB2 PHE 72 HB2 PHE 72 -3.523 -6.422 -5.839 551 HB3 PHE 72 HB1 PHE 72 -2.127 -5.616 -5.130 552 HD1 PHE 72 HD1 PHE 72 -5.463 -4.325 -6.174 553 HD2 PHE 72 HD2 PHE 72 -2.696 -4.950 -3.002 554 HE1 PHE 72 HE1 PHE 72 -6.948 -3.098 -4.644 555 HE2 PHE 72 HE2 PHE 72 -4.176 -3.725 -1.464 556 HZ PHE 72 HZ PHE 72 -6.305 -2.797 -2.285 557 H THR 73 HN THR 73 -3.972 -2.640 -7.834 558 HA THR 73 HA THR 73 -2.127 -0.815 -6.429 559 HB THR 73 HB THR 73 -3.514 0.452 -8.626 560 HG1 THR 73 HG1 THR 73 -3.428 -1.483 -9.731 561 HG21 THR 73 HG21 THR 73 -0.716 0.252 -9.056 562 HG22 THR 73 HG22 THR 73 -0.987 0.480 -7.328 563 HG23 THR 73 HG23 THR 73 -1.642 1.640 -8.484 564 H ILE 74 HN ILE 74 -2.971 0.710 -5.138 565 HA ILE 74 HA ILE 74 -5.859 1.247 -5.286 566 HB ILE 74 HB ILE 74 -5.303 -0.504 -3.534 567 HG12 ILE 74 HG12 ILE 74 -6.562 1.116 -1.729 568 HG13 ILE 74 HG11 ILE 74 -6.891 1.960 -3.239 569 HG21 ILE 74 HG21 ILE 74 -3.210 0.712 -2.812 570 HG22 ILE 74 HG22 ILE 74 -4.258 0.140 -1.513 571 HG23 ILE 74 HG23 ILE 74 -4.266 1.844 -1.966 572 HD11 ILE 74 HD11 ILE 74 -7.385 -0.747 -3.748 573 HD12 ILE 74 HD12 ILE 74 -8.563 0.556 -3.582 574 HD13 ILE 74 HD13 ILE 74 -8.102 -0.401 -2.174 575 H ARG 75 HN ARG 75 -6.147 3.367 -5.495 576 HA ARG 75 HA ARG 75 -4.141 5.227 -4.500 577 HB2 ARG 75 HB2 ARG 75 -6.664 5.863 -6.035 578 HB3 ARG 75 HB1 ARG 75 -5.252 6.890 -5.828 579 HG2 ARG 75 HG2 ARG 75 -4.218 5.985 -7.575 580 HG3 ARG 75 HG1 ARG 75 -4.580 4.343 -7.038 581 HD2 ARG 75 HD2 ARG 75 -6.870 5.861 -8.094 582 HD3 ARG 75 HD1 ARG 75 -5.608 5.486 -9.267 583 HE ARG 75 HE ARG 75 -6.545 3.274 -7.637 584 HH11 ARG 75 HH11 ARG 75 -6.763 4.999 -10.656 585 HH12 ARG 75 HH12 ARG 75 -7.442 3.661 -11.519 586 HH21 ARG 75 HH21 ARG 75 -7.439 1.507 -8.767 587 HH22 ARG 75 HH22 ARG 75 -7.828 1.677 -10.446 588 H LEU 76 HN LEU 76 -4.509 6.764 -2.942 589 HA LEU 76 HA LEU 76 -7.109 6.673 -1.578 590 HB2 LEU 76 HB2 LEU 76 -4.421 6.611 -0.212 591 HB3 LEU 76 HB1 LEU 76 -5.982 6.634 0.577 592 HG LEU 76 HG LEU 76 -5.978 4.417 -1.187 593 HD11 LEU 76 HD11 LEU 76 -3.863 3.746 -1.263 594 HD12 LEU 76 HD12 LEU 76 -3.968 3.451 0.473 595 HD13 LEU 76 HD13 LEU 76 -3.358 4.995 -0.124 596 HD21 LEU 76 HD21 LEU 76 -7.020 4.948 1.177 597 HD22 LEU 76 HD22 LEU 76 -5.577 4.105 1.741 598 HD23 LEU 76 HD23 LEU 76 -6.708 3.291 0.660 599 HA PRO 77 HA PRO 77 -6.766 11.075 -1.632 600 HB2 PRO 77 HB2 PRO 77 -8.558 11.707 0.290 601 HB3 PRO 77 HB1 PRO 77 -9.037 11.083 -1.291 602 HG2 PRO 77 HG2 PRO 77 -8.814 9.649 1.322 603 HG3 PRO 77 HG1 PRO 77 -10.055 9.505 0.064 604 HD2 PRO 77 HD2 PRO 77 -8.000 7.729 0.373 605 HD3 PRO 77 HD1 PRO 77 -8.799 8.044 -1.179 606 H LYS 78 HN LYS 78 -5.854 12.816 -0.516 607 HA LYS 78 HA LYS 78 -4.244 12.036 1.789 608 HB2 LYS 78 HB2 LYS 78 -3.764 13.610 -0.492 609 HB3 LYS 78 HB1 LYS 78 -3.746 14.717 0.874 610 HG2 LYS 78 HG2 LYS 78 -2.160 13.043 1.975 611 HG3 LYS 78 HG1 LYS 78 -1.993 12.342 0.364 612 HD2 LYS 78 HD2 LYS 78 -1.205 15.068 1.329 613 HD3 LYS 78 HD1 LYS 78 -0.225 13.859 0.496 614 HE2 LYS 78 HE2 LYS 78 -2.465 15.498 -0.681 615 HE3 LYS 78 HE1 LYS 78 -0.744 15.666 -1.021 616 HZ1 LYS 78 HZ1 LYS 78 -0.847 14.055 -2.524 617 HZ2 LYS 78 HZ2 LYS 78 -2.531 14.120 -2.400 618 HZ3 LYS 78 HZ3 LYS 78 -1.660 13.004 -1.477 619 H GLU 79 HN GLU 79 -3.997 13.452 3.603 620 HA GLU 79 HA GLU 79 -6.524 14.636 4.418 621 HB2 GLU 79 HB2 GLU 79 -5.636 13.299 6.120 622 HB3 GLU 79 HB1 GLU 79 -3.994 13.855 5.832 623 HG2 GLU 79 HG2 GLU 79 -4.449 15.960 6.854 624 HG3 GLU 79 HG1 GLU 79 -6.171 15.596 6.958 625 H THR 80 HN THR 80 -3.773 15.648 2.868 626 HA THR 80 HA THR 80 -4.426 18.422 3.225 627 HB THR 80 HB THR 80 -1.672 17.493 4.058 628 HG1 THR 80 HG1 THR 80 -2.479 17.378 6.003 629 HG21 THR 80 HG21 THR 80 -2.466 20.192 4.769 630 HG22 THR 80 HG22 THR 80 -2.479 19.933 3.024 631 HG23 THR 80 HG23 THR 80 -1.010 19.622 3.951 632 HA PRO 81 HA PRO 81 -3.192 17.419 -1.068 633 HB2 PRO 81 HB2 PRO 81 -4.078 19.934 -1.924 634 HB3 PRO 81 HB1 PRO 81 -4.999 18.430 -1.978 635 HG2 PRO 81 HG2 PRO 81 -5.098 20.643 0.006 636 HG3 PRO 81 HG1 PRO 81 -6.402 19.596 -0.581 637 HD2 PRO 81 HD2 PRO 81 -5.304 19.271 1.850 638 HD3 PRO 81 HD1 PRO 81 -5.857 17.887 0.882 639 H GLY 82 HN GLY 82 -1.635 18.320 -2.503 640 HA2 GLY 82 HA2 GLY 82 0.151 19.677 -3.119 641 HA3 GLY 82 HA1 GLY 82 -0.158 20.679 -1.708 642 H GLN 83 HN GLN 83 -0.144 17.732 -0.433 643 HA GLN 83 HA GLN 83 2.588 17.987 0.494 644 HB2 GLN 83 HB2 GLN 83 0.952 17.497 2.167 645 HB3 GLN 83 HB1 GLN 83 0.320 16.144 1.241 646 HG2 GLN 83 HG2 GLN 83 2.207 14.817 1.692 647 HG3 GLN 83 HG1 GLN 83 3.132 16.197 2.282 648 HE21 GLN 83 HE21 GLN 83 3.495 15.871 4.360 649 HE22 GLN 83 HE22 GLN 83 2.316 15.410 5.534 650 H HIS 84 HN HIS 84 4.249 16.566 0.126 651 HA HIS 84 HA HIS 84 3.725 14.406 -1.809 652 HB2 HIS 84 HB2 HIS 84 4.857 16.180 -2.981 653 HB3 HIS 84 HB1 HIS 84 6.063 16.317 -1.707 654 HD1 HIS 84 HD1 HIS 84 7.804 15.934 -3.700 655 HD2 HIS 84 HD2 HIS 84 5.397 12.685 -2.741 656 HE1 HIS 84 HE1 HIS 84 8.917 13.940 -4.751 657 HE2 HIS 84 HE2 HIS 84 7.396 11.999 -4.232 658 H PHE 85 HN PHE 85 4.106 12.483 -0.942 659 HA PHE 85 HA PHE 85 5.592 12.142 1.468 660 HB2 PHE 85 HB2 PHE 85 4.457 10.138 -0.493 661 HB3 PHE 85 HB1 PHE 85 5.169 9.716 1.056 662 HD1 PHE 85 HD2 PHE 85 3.596 12.762 1.524 663 HD2 PHE 85 HD1 PHE 85 2.715 8.634 0.981 664 HE1 PHE 85 HE2 PHE 85 1.411 13.088 2.608 665 HE2 PHE 85 HE1 PHE 85 0.529 8.954 2.063 666 HZ PHE 85 HZ PHE 85 -0.125 11.182 2.879 667 H GLU 86 HN GLU 86 7.704 12.795 1.117 668 HA GLU 86 HA GLU 86 9.259 11.923 -1.097 669 HB2 GLU 86 HB2 GLU 86 9.692 13.524 1.338 670 HB3 GLU 86 HB1 GLU 86 11.117 12.693 0.730 671 HG2 GLU 86 HG2 GLU 86 10.725 13.726 -1.481 672 HG3 GLU 86 HG1 GLU 86 9.380 14.626 -0.785 673 H GLY 87 HN GLY 87 11.483 10.921 -0.621 674 HA2 GLY 87 HA2 GLY 87 12.448 8.820 -0.394 675 HA3 GLY 87 HA1 GLY 87 12.262 9.245 1.297 676 H LEU 88 HN LEU 88 9.703 8.412 -1.022 677 HA LEU 88 HA LEU 88 8.381 6.699 0.761 678 HB2 LEU 88 HB2 LEU 88 8.282 7.131 -2.182 679 HB3 LEU 88 HB1 LEU 88 7.404 5.785 -1.494 680 HG LEU 88 HG LEU 88 6.996 8.547 -0.411 681 HD11 LEU 88 HD11 LEU 88 4.937 8.411 -2.064 682 HD12 LEU 88 HD12 LEU 88 6.080 7.468 -3.020 683 HD13 LEU 88 HD13 LEU 88 6.475 9.122 -2.554 684 HD21 LEU 88 HD21 LEU 88 5.304 6.060 -0.591 685 HD22 LEU 88 HD22 LEU 88 4.740 7.610 0.035 686 HD23 LEU 88 HD23 LEU 88 6.040 6.746 0.857 687 H ASN 89 HN ASN 89 10.151 5.728 -2.220 688 HA ASN 89 HA ASN 89 10.412 3.039 -1.173 689 HB2 ASN 89 HB2 ASN 89 10.065 3.999 -3.700 690 HB3 ASN 89 HB1 ASN 89 11.805 3.736 -3.678 691 HD21 ASN 89 HD21 ASN 89 12.147 1.923 -4.753 692 HD22 ASN 89 HD22 ASN 89 11.338 0.421 -4.482 693 H MET 90 HN MET 90 11.877 5.547 -0.192 694 HA MET 90 HA MET 90 14.599 4.424 -0.302 695 HB2 MET 90 HB2 MET 90 13.977 7.285 0.410 696 HB3 MET 90 HB1 MET 90 15.512 6.593 -0.098 697 HG2 MET 90 HG2 MET 90 13.682 6.141 -2.189 698 HG3 MET 90 HG1 MET 90 13.476 7.813 -1.673 699 HE1 MET 90 HE1 MET 90 16.559 9.080 -1.135 700 HE2 MET 90 HE2 MET 90 14.949 9.529 -1.697 701 HE3 MET 90 HE3 MET 90 16.338 9.702 -2.771 702 H LEU 91 HN LEU 91 12.003 5.704 1.624 703 HA LEU 91 HA LEU 91 13.063 6.022 4.108 704 HB2 LEU 91 HB2 LEU 91 10.467 5.414 2.965 705 HB3 LEU 91 HB1 LEU 91 10.661 4.651 4.536 706 HG LEU 91 HG LEU 91 10.871 7.595 3.910 707 HD11 LEU 91 HD11 LEU 91 8.615 7.126 4.073 708 HD12 LEU 91 HD12 LEU 91 9.028 7.559 5.731 709 HD13 LEU 91 HD13 LEU 91 8.857 5.864 5.279 710 HD21 LEU 91 HD21 LEU 91 12.547 7.109 5.545 711 HD22 LEU 91 HD22 LEU 91 11.427 6.110 6.471 712 HD23 LEU 91 HD23 LEU 91 11.177 7.853 6.368 713 H THR 92 HN THR 92 12.499 4.367 6.021 714 HA THR 92 HA THR 92 13.373 1.675 5.235 715 HB THR 92 HB THR 92 14.770 1.732 7.429 716 HG1 THR 92 HG1 THR 92 15.307 3.667 8.192 717 HG21 THR 92 HG21 THR 92 15.400 2.609 4.704 718 HG22 THR 92 HG22 THR 92 16.197 1.413 5.725 719 HG23 THR 92 HG23 THR 92 16.563 3.126 5.926 720 H ALA 93 HN ALA 93 13.347 0.222 7.308 721 HA ALA 93 HA ALA 93 10.721 0.631 8.562 722 HB1 ALA 93 HB1 ALA 93 12.061 -1.682 7.467 723 HB2 ALA 93 HB2 ALA 93 10.366 -1.460 7.895 724 HB3 ALA 93 HB3 ALA 93 11.526 -1.967 9.122 725 H LEU 94 HN LEU 94 10.511 0.865 10.706 726 HA LEU 94 HA LEU 94 12.958 0.712 12.328 727 HB2 LEU 94 HB2 LEU 94 11.574 2.107 13.958 728 HB3 LEU 94 HB1 LEU 94 12.124 2.888 12.487 729 HG LEU 94 HG LEU 94 9.382 1.687 12.608 730 HD11 LEU 94 HD11 LEU 94 8.764 4.185 13.148 731 HD12 LEU 94 HD12 LEU 94 10.344 4.171 13.932 732 HD13 LEU 94 HD13 LEU 94 9.099 3.030 14.438 733 HD21 LEU 94 HD21 LEU 94 8.971 2.912 10.738 734 HD22 LEU 94 HD22 LEU 94 10.713 2.715 10.549 735 HD23 LEU 94 HD23 LEU 94 10.062 4.213 11.215 736 H LEU 95 HN LEU 95 13.134 -0.753 13.900 737 HA LEU 95 HA LEU 95 10.814 -2.457 14.450 738 HB2 LEU 95 HB2 LEU 95 13.774 -2.845 14.683 739 HB3 LEU 95 HB1 LEU 95 12.682 -3.859 15.608 740 HG LEU 95 HG LEU 95 11.765 -4.842 13.679 741 HD11 LEU 95 HD11 LEU 95 13.218 -2.929 11.883 742 HD12 LEU 95 HD12 LEU 95 11.599 -2.587 12.493 743 HD13 LEU 95 HD13 LEU 95 11.884 -4.014 11.496 744 HD21 LEU 95 HD21 LEU 95 14.567 -4.813 14.071 745 HD22 LEU 95 HD22 LEU 95 14.272 -4.826 12.333 746 HD23 LEU 95 HD23 LEU 95 13.573 -6.082 13.355 747 H ALA 96 HN ALA 96 9.714 -2.192 16.267 748 HA ALA 96 HA ALA 96 11.113 -1.403 18.703 749 HB1 ALA 96 HB1 ALA 96 8.787 0.082 18.879 750 HB2 ALA 96 HB2 ALA 96 9.338 0.348 17.225 751 HB3 ALA 96 HB3 ALA 96 10.410 0.705 18.578
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