NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18287 | 2dk9 | 7058 | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET -8 1HT MET -8 7.698 -17.112 4.953 2 2H MET -8 2HT MET -8 9.221 -17.592 5.581 3 3H MET -8 3HT MET -8 8.470 -18.517 4.345 4 HA MET -8 HA MET -8 10.179 -17.267 3.384 5 1HB MET -8 2HB MET -8 8.868 -16.031 1.738 6 2HB MET -8 1HB MET -8 8.067 -17.542 2.150 7 1HG MET -8 2HG MET -8 6.483 -16.401 3.531 8 2HG MET -8 1HG MET -8 7.352 -14.878 3.348 9 1HE MET -8 1HE MET -8 6.223 -13.068 1.034 10 2HE MET -8 2HE MET -8 7.083 -13.972 -0.210 11 3HE MET -8 3HE MET -8 7.804 -13.764 1.385 12 H GLY -7 H GLY -7 10.370 -14.809 2.472 13 1HA GLY -7 2HA GLY -7 10.351 -12.490 3.091 14 2HA GLY -7 1HA GLY -7 10.191 -12.980 4.771 15 H HIS -6 H HIS -6 12.247 -11.568 2.733 16 HA HIS -6 HA HIS -6 14.686 -12.918 3.503 17 1HB HIS -6 2HB HIS -6 13.933 -11.244 1.390 18 2HB HIS -6 1HB HIS -6 15.079 -10.297 2.330 19 HD1 HIS -6 1HD HIS -6 17.032 -10.443 0.733 20 HD2 HIS -6 2HD HIS -6 15.501 -14.165 1.770 21 HE1 HIS -6 1HE HIS -6 18.675 -12.120 -0.169 22 HE2 HIS -6 2HE HIS -6 17.683 -14.366 0.393 23 H HIS -5 H HIS -5 13.431 -9.603 3.922 24 HA HIS -5 HA HIS -5 14.397 -9.545 6.647 25 1HB HIS -5 2HB HIS -5 15.752 -8.094 4.434 26 2HB HIS -5 1HB HIS -5 15.530 -7.222 5.948 27 HD1 HIS -5 1HD HIS -5 18.076 -8.917 4.382 28 HD2 HIS -5 2HD HIS -5 16.380 -9.325 8.154 29 HE1 HIS -5 1HE HIS -5 19.818 -10.070 5.782 30 HE2 HIS -5 2HE HIS -5 18.809 -10.212 8.085 31 H HIS -4 H HIS -4 13.311 -7.401 4.010 32 HA HIS -4 HA HIS -4 10.855 -6.781 5.267 33 1HB HIS -4 2HB HIS -4 13.134 -5.220 6.097 34 2HB HIS -4 1HB HIS -4 11.968 -4.192 5.271 35 HD1 HIS -4 1HD HIS -4 12.547 -6.029 8.423 36 HD2 HIS -4 2HD HIS -4 9.410 -4.055 6.541 37 HE1 HIS -4 1HE HIS -4 10.807 -5.683 10.204 38 HE2 HIS -4 2HE HIS -4 8.892 -4.543 9.029 39 H HIS -3 H HIS -3 13.262 -4.991 3.330 40 HA HIS -3 HA HIS -3 11.343 -4.989 1.104 41 1HB HIS -3 2HB HIS -3 12.707 -2.658 2.387 42 2HB HIS -3 1HB HIS -3 12.416 -2.617 0.652 43 HD1 HIS -3 1HD HIS -3 10.515 -2.928 3.911 44 HD2 HIS -3 2HD HIS -3 9.869 -1.931 -0.071 45 HE1 HIS -3 1HE HIS -3 8.156 -2.068 3.808 46 HE2 HIS -3 2HE HIS -3 7.755 -1.559 1.372 47 H HIS -2 H HIS -2 12.245 -4.950 -0.976 48 HA HIS -2 HA HIS -2 15.140 -5.035 -1.243 49 1HB HIS -2 2HB HIS -2 15.022 -7.187 -2.524 50 2HB HIS -2 1HB HIS -2 14.690 -7.352 -0.803 51 HD1 HIS -2 1HD HIS -2 13.600 -8.858 -3.663 52 HD2 HIS -2 2HD HIS -2 11.540 -6.862 -0.658 53 HE1 HIS -2 1HE HIS -2 11.234 -9.699 -3.797 54 HE2 HIS -2 2HE HIS -2 9.986 -8.407 -2.031 55 H HIS -1 H HIS -1 12.025 -5.459 -2.903 56 HA HIS -1 HA HIS -1 13.047 -3.749 -5.063 57 1HB HIS -1 2HB HIS -1 12.544 -6.473 -5.338 58 2HB HIS -1 1HB HIS -1 11.107 -5.705 -6.005 59 HD1 HIS -1 1HD HIS -1 14.878 -5.258 -6.348 60 HD2 HIS -1 2HD HIS -1 11.405 -5.147 -8.625 61 HE1 HIS -1 1HE HIS -1 15.633 -4.812 -8.706 62 HE2 HIS -1 2HE HIS -1 13.507 -4.649 -10.047 63 H MET 0 H MET 0 10.032 -5.322 -3.975 64 HA MET 0 HA MET 0 8.711 -2.699 -4.163 65 1HB MET 0 2HB MET 0 7.569 -5.360 -5.030 66 2HB MET 0 1HB MET 0 6.671 -3.850 -4.965 67 1HG MET 0 2HG MET 0 7.663 -3.013 -6.827 68 2HG MET 0 1HG MET 0 9.169 -3.886 -6.551 69 1HE MET 0 1HE MET 0 9.228 -6.901 -8.057 70 2HE MET 0 2HE MET 0 7.977 -7.417 -6.929 71 3HE MET 0 3HE MET 0 9.231 -6.297 -6.400 72 H GLY 1 H GLY 1 7.056 -2.297 -2.669 73 1HA GLY 1 2HA GLY 1 6.118 -4.226 -0.809 74 2HA GLY 1 1HA GLY 1 7.413 -3.278 -0.096 75 H SER 2 H SER 2 7.062 -0.785 -0.748 76 HA SER 2 HA SER 2 4.653 -0.041 0.619 77 1HB SER 2 2HB SER 2 7.073 1.095 0.526 78 2HB SER 2 1HB SER 2 6.301 2.018 -0.764 79 HG SER 2 HG SER 2 6.137 2.793 1.532 80 H ALA 3 H ALA 3 5.951 0.695 -2.622 81 HA ALA 3 HA ALA 3 3.587 1.926 -3.564 82 1HB ALA 3 1HB ALA 3 5.932 0.722 -5.020 83 2HB ALA 3 2HB ALA 3 5.644 2.423 -4.655 84 3HB ALA 3 3HB ALA 3 4.622 1.586 -5.824 85 H GLY 4 H GLY 4 4.656 -1.394 -3.433 86 1HA GLY 4 2HA GLY 4 2.992 -2.541 -5.362 87 2HA GLY 4 1HA GLY 4 3.590 -3.365 -3.930 88 H THR 5 H THR 5 2.276 -1.479 -2.103 89 HA THR 5 HA THR 5 -0.339 -2.738 -2.125 90 HB THR 5 HB THR 5 -0.335 -1.080 0.058 91 HG1 THR 5 1HG THR 5 2.320 -2.021 -0.197 92 1HG2 THR 5 1HG2 THR 5 0.401 -3.023 1.379 93 2HG2 THR 5 2HG2 THR 5 0.813 -3.853 -0.121 94 3HG2 THR 5 3HG2 THR 5 -0.861 -3.417 0.213 95 H GLN 6 H GLN 6 1.061 0.480 -2.409 96 HA GLN 6 HA GLN 6 -1.339 1.948 -2.334 97 1HB GLN 6 2HB GLN 6 1.346 2.554 -2.514 98 2HB GLN 6 1HB GLN 6 0.729 3.064 -4.079 99 1HG GLN 6 2HG GLN 6 0.028 4.939 -3.148 100 2HG GLN 6 1HG GLN 6 -1.104 4.002 -2.174 101 1HE2 GLN 6 1HE2 GLN 6 -0.987 4.484 -0.114 102 2HE2 GLN 6 2HE2 GLN 6 0.443 4.903 0.762 103 H GLU 7 H GLU 7 0.301 0.237 -4.908 104 HA GLU 7 HA GLU 7 -1.046 1.362 -7.101 105 1HB GLU 7 2HB GLU 7 0.521 -1.106 -6.598 106 2HB GLU 7 1HB GLU 7 -0.529 -1.113 -8.010 107 1HG GLU 7 2HG GLU 7 0.758 1.322 -8.171 108 2HG GLU 7 1HG GLU 7 2.006 0.224 -7.579 109 H GLU 8 H GLU 8 -1.795 -1.535 -5.170 110 HA GLU 8 HA GLU 8 -4.127 -2.184 -6.662 111 1HB GLU 8 2HB GLU 8 -4.555 -3.850 -5.003 112 2HB GLU 8 1HB GLU 8 -2.819 -3.806 -5.278 113 1HG GLU 8 2HG GLU 8 -2.449 -3.451 -3.132 114 2HG GLU 8 1HG GLU 8 -3.472 -2.017 -3.153 115 H LEU 9 H LEU 9 -3.506 -0.162 -3.882 116 HA LEU 9 HA LEU 9 -6.247 0.119 -3.114 117 1HB LEU 9 2HB LEU 9 -3.769 1.700 -2.447 118 2HB LEU 9 1HB LEU 9 -5.351 2.081 -1.791 119 HG LEU 9 HG LEU 9 -4.205 -0.666 -1.438 120 1HD1 LEU 9 1HD1 LEU 9 -3.729 1.555 0.524 121 2HD1 LEU 9 2HD1 LEU 9 -2.553 1.140 -0.723 122 3HD1 LEU 9 3HD1 LEU 9 -3.016 -0.058 0.486 123 1HD2 LEU 9 1HD2 LEU 9 -5.536 -0.378 0.723 124 2HD2 LEU 9 2HD2 LEU 9 -6.449 -0.542 -0.777 125 3HD2 LEU 9 3HD2 LEU 9 -6.237 1.048 -0.044 126 H LEU 10 H LEU 10 -3.944 2.179 -4.870 127 HA LEU 10 HA LEU 10 -5.733 4.293 -5.374 128 1HB LEU 10 2HB LEU 10 -3.134 3.392 -6.521 129 2HB LEU 10 1HB LEU 10 -4.062 4.583 -7.414 130 HG LEU 10 HG LEU 10 -3.637 5.142 -4.536 131 1HD1 LEU 10 1HD1 LEU 10 -1.388 6.210 -5.305 132 2HD1 LEU 10 2HD1 LEU 10 -1.430 4.944 -6.533 133 3HD1 LEU 10 3HD1 LEU 10 -1.443 4.515 -4.823 134 1HD2 LEU 10 1HD2 LEU 10 -3.211 6.960 -6.880 135 2HD2 LEU 10 2HD2 LEU 10 -3.679 7.366 -5.229 136 3HD2 LEU 10 3HD2 LEU 10 -4.832 6.576 -6.302 137 H ARG 11 H ARG 11 -5.040 1.313 -7.102 138 HA ARG 11 HA ARG 11 -6.433 1.943 -9.481 139 1HB ARG 11 2HB ARG 11 -5.536 -0.613 -8.191 140 2HB ARG 11 1HB ARG 11 -6.565 -0.658 -9.616 141 1HG ARG 11 2HG ARG 11 -3.870 0.674 -9.429 142 2HG ARG 11 1HG ARG 11 -4.216 -0.872 -10.208 143 1HD ARG 11 2HD ARG 11 -4.457 0.341 -12.074 144 2HD ARG 11 1HD ARG 11 -6.027 0.781 -11.404 145 HE ARG 11 HE ARG 11 -5.254 2.912 -11.244 146 1HH1 ARG 11 1HH1 ARG 11 -2.506 0.764 -11.133 147 2HH1 ARG 11 2HH1 ARG 11 -1.348 2.048 -11.058 148 1HH2 ARG 11 1HH2 ARG 11 -3.732 4.602 -11.146 149 2HH2 ARG 11 2HH2 ARG 11 -2.042 4.227 -11.065 150 H TRP 12 H TRP 12 -7.409 0.271 -6.511 151 HA TRP 12 HA TRP 12 -10.034 -0.343 -7.383 152 1HB TRP 12 2HB TRP 12 -8.933 -1.519 -5.518 153 2HB TRP 12 1HB TRP 12 -8.979 -0.041 -4.563 154 HD1 TRP 12 HD TRP 12 -11.175 -2.911 -5.749 155 HE1 TRP 12 1HE TRP 12 -13.422 -2.816 -4.497 156 HE3 TRP 12 3HE TRP 12 -10.631 1.621 -3.445 157 HZ2 TRP 12 2HZ TRP 12 -14.783 -1.053 -2.762 158 HZ3 TRP 12 3HZ TRP 12 -12.452 2.439 -2.006 159 HH2 TRP 12 HH TRP 12 -14.485 1.130 -1.674 160 H CYS 13 H CYS 13 -8.619 2.402 -5.699 161 HA CYS 13 HA CYS 13 -11.034 3.657 -4.952 162 1HB CYS 13 2HB CYS 13 -8.701 4.170 -4.092 163 2HB CYS 13 1HB CYS 13 -8.443 5.072 -5.581 164 HG CYS 13 HG CYS 13 -9.274 6.893 -4.104 165 H GLN 14 H GLN 14 -8.949 4.057 -7.804 166 HA GLN 14 HA GLN 14 -10.430 6.134 -8.989 167 1HB GLN 14 2HB GLN 14 -9.268 5.501 -11.080 168 2HB GLN 14 1HB GLN 14 -8.172 5.654 -9.713 169 1HG GLN 14 2HG GLN 14 -7.841 3.358 -9.563 170 2HG GLN 14 1HG GLN 14 -9.285 2.993 -10.507 171 1HE2 GLN 14 1HE2 GLN 14 -8.246 1.740 -12.007 172 2HE2 GLN 14 2HE2 GLN 14 -7.134 2.378 -13.165 173 H GLU 15 H GLU 15 -10.734 2.632 -9.154 174 HA GLU 15 HA GLU 15 -12.610 2.551 -11.270 175 1HB GLU 15 2HB GLU 15 -11.205 0.677 -9.862 176 2HB GLU 15 1HB GLU 15 -12.830 0.435 -9.235 177 1HG GLU 15 2HG GLU 15 -13.662 -0.249 -11.263 178 2HG GLU 15 1HG GLU 15 -12.416 0.599 -12.179 179 H GLN 16 H GLN 16 -12.983 2.575 -7.744 180 HA GLN 16 HA GLN 16 -15.805 2.407 -7.745 181 1HB GLN 16 2HB GLN 16 -13.683 2.812 -5.788 182 2HB GLN 16 1HB GLN 16 -15.130 3.734 -5.404 183 1HG GLN 16 2HG GLN 16 -15.713 0.997 -6.189 184 2HG GLN 16 1HG GLN 16 -14.663 1.101 -4.777 185 1HE2 GLN 16 1HE2 GLN 16 -17.657 0.532 -5.429 186 2HE2 GLN 16 2HE2 GLN 16 -18.483 1.392 -4.177 187 H THR 17 H THR 17 -13.561 5.104 -7.908 188 HA THR 17 HA THR 17 -15.697 7.054 -7.655 189 HB THR 17 HB THR 17 -12.793 7.551 -8.316 190 HG1 THR 17 1HG THR 17 -12.341 7.371 -6.263 191 1HG2 THR 17 1HG2 THR 17 -13.702 9.603 -6.740 192 2HG2 THR 17 2HG2 THR 17 -15.067 9.283 -7.810 193 3HG2 THR 17 3HG2 THR 17 -13.482 9.654 -8.488 194 H ALA 18 H ALA 18 -14.962 5.094 -10.078 195 HA ALA 18 HA ALA 18 -14.744 6.980 -12.249 196 1HB ALA 18 1HB ALA 18 -13.986 4.409 -12.003 197 2HB ALA 18 2HB ALA 18 -14.261 5.203 -13.553 198 3HB ALA 18 3HB ALA 18 -15.525 4.200 -12.841 199 H GLY 19 H GLY 19 -16.378 7.961 -13.248 200 1HA GLY 19 2HA GLY 19 -18.645 7.217 -14.306 201 2HA GLY 19 1HA GLY 19 -19.110 7.099 -12.617 202 H TYR 20 H TYR 20 -17.484 9.409 -11.833 203 HA TYR 20 HA TYR 20 -19.439 11.436 -12.375 204 1HB TYR 20 2HB TYR 20 -16.792 11.699 -10.936 205 2HB TYR 20 1HB TYR 20 -18.145 12.825 -10.858 206 HD1 TYR 20 1HD TYR 20 -19.969 12.451 -9.377 207 HD2 TYR 20 2HD TYR 20 -17.014 9.437 -9.907 208 HE1 TYR 20 1HE TYR 20 -20.883 11.225 -7.452 209 HE2 TYR 20 2HE TYR 20 -17.919 8.203 -7.985 210 HH TYR 20 HH TYR 20 -19.281 8.403 -6.137 211 HA PRO 21 HA PRO 21 -17.275 12.909 -16.017 212 1HB PRO 21 2HB PRO 21 -18.981 14.907 -16.642 213 2HB PRO 21 1HB PRO 21 -19.365 13.206 -16.936 214 1HG PRO 21 2HG PRO 21 -20.231 14.982 -14.686 215 2HG PRO 21 1HG PRO 21 -21.186 13.817 -15.624 216 1HD PRO 21 2HD PRO 21 -20.189 13.265 -13.156 217 2HD PRO 21 1HD PRO 21 -20.430 12.022 -14.400 218 H GLY 22 H GLY 22 -15.926 13.631 -13.813 219 1HA GLY 22 2HA GLY 22 -14.565 15.889 -14.373 220 2HA GLY 22 1HA GLY 22 -15.937 16.504 -13.467 221 H VAL 23 H VAL 23 -14.308 13.424 -12.902 222 HA VAL 23 HA VAL 23 -13.093 14.523 -10.469 223 HB VAL 23 HB VAL 23 -14.646 11.933 -10.477 224 1HG1 VAL 23 1HG1 VAL 23 -14.376 12.080 -8.039 225 2HG1 VAL 23 2HG1 VAL 23 -13.402 13.535 -8.244 226 3HG1 VAL 23 3HG1 VAL 23 -12.824 11.991 -8.872 227 1HG2 VAL 23 1HG2 VAL 23 -15.444 14.637 -9.403 228 2HG2 VAL 23 2HG2 VAL 23 -16.310 13.130 -9.107 229 3HG2 VAL 23 3HG2 VAL 23 -16.196 13.776 -10.745 230 H HIS 24 H HIS 24 -11.012 14.021 -10.425 231 HA HIS 24 HA HIS 24 -10.113 11.611 -11.858 232 1HB HIS 24 2HB HIS 24 -9.173 14.324 -11.866 233 2HB HIS 24 1HB HIS 24 -7.897 13.274 -11.257 234 HD1 HIS 24 1HD HIS 24 -6.610 11.961 -12.952 235 HD2 HIS 24 2HD HIS 24 -10.108 13.569 -14.515 236 HE1 HIS 24 1HE HIS 24 -6.511 11.510 -15.423 237 HE2 HIS 24 2HE HIS 24 -8.689 12.394 -16.330 238 H VAL 25 H VAL 25 -9.303 9.987 -10.707 239 HA VAL 25 HA VAL 25 -8.386 10.546 -7.959 240 HB VAL 25 HB VAL 25 -9.678 7.977 -8.878 241 1HG1 VAL 25 1HG1 VAL 25 -9.626 8.751 -6.036 242 2HG1 VAL 25 2HG1 VAL 25 -8.061 8.365 -6.752 243 3HG1 VAL 25 3HG1 VAL 25 -9.365 7.178 -6.793 244 1HG2 VAL 25 1HG2 VAL 25 -11.500 8.984 -7.213 245 2HG2 VAL 25 2HG2 VAL 25 -11.528 9.293 -8.950 246 3HG2 VAL 25 3HG2 VAL 25 -10.853 10.496 -7.851 247 H SER 26 H SER 26 -6.209 10.683 -8.515 248 HA SER 26 HA SER 26 -4.924 8.114 -8.944 249 1HB SER 26 2HB SER 26 -4.663 10.447 -10.828 250 2HB SER 26 1HB SER 26 -3.372 9.256 -10.664 251 HG SER 26 HG SER 26 -6.029 8.861 -11.548 252 H ASP 27 H ASP 27 -5.216 10.289 -6.865 253 HA ASP 27 HA ASP 27 -2.365 10.463 -6.217 254 1HB ASP 27 2HB ASP 27 -4.236 12.796 -5.797 255 2HB ASP 27 1HB ASP 27 -2.487 12.766 -5.593 256 H LEU 28 H LEU 28 -1.892 10.217 -4.067 257 HA LEU 28 HA LEU 28 -4.130 9.415 -2.368 258 1HB LEU 28 2HB LEU 28 -1.556 8.391 -2.791 259 2HB LEU 28 1HB LEU 28 -1.515 9.077 -1.178 260 HG LEU 28 HG LEU 28 -3.862 7.668 -1.118 261 1HD1 LEU 28 1HD1 LEU 28 -1.930 5.843 -2.501 262 2HD1 LEU 28 2HD1 LEU 28 -3.132 6.766 -3.406 263 3HD1 LEU 28 3HD1 LEU 28 -3.649 5.607 -2.179 264 1HD2 LEU 28 1HD2 LEU 28 -2.388 5.900 0.039 265 2HD2 LEU 28 2HD2 LEU 28 -2.426 7.531 0.705 266 3HD2 LEU 28 3HD2 LEU 28 -1.061 7.015 -0.284 267 H SER 29 H SER 29 -3.814 12.189 -2.841 268 HA SER 29 HA SER 29 -3.765 13.125 -0.141 269 1HB SER 29 2HB SER 29 -1.478 13.783 -1.978 270 2HB SER 29 1HB SER 29 -1.969 14.907 -0.710 271 HG SER 29 HG SER 29 -0.332 12.990 -0.381 272 H SER 30 H SER 30 -2.961 14.786 -3.182 273 HA SER 30 HA SER 30 -4.675 16.941 -2.786 274 1HB SER 30 2HB SER 30 -4.519 16.933 -5.468 275 2HB SER 30 1HB SER 30 -3.179 17.440 -4.439 276 HG SER 30 HG SER 30 -2.832 15.765 -6.185 277 H SER 31 H SER 31 -5.251 13.862 -4.417 278 HA SER 31 HA SER 31 -7.680 14.407 -5.632 279 1HB SER 31 2HB SER 31 -6.701 11.833 -4.385 280 2HB SER 31 1HB SER 31 -8.126 11.951 -5.415 281 HG SER 31 HG SER 31 -6.863 11.959 -7.084 282 H TRP 32 H TRP 32 -6.967 13.932 -2.267 283 HA TRP 32 HA TRP 32 -9.828 13.793 -1.629 284 1HB TRP 32 2HB TRP 32 -7.524 13.450 0.289 285 2HB TRP 32 1HB TRP 32 -9.208 12.995 0.536 286 HD1 TRP 32 HD TRP 32 -6.259 11.996 -1.783 287 HE1 TRP 32 1HE TRP 32 -6.465 9.480 -2.281 288 HE3 TRP 32 3HE TRP 32 -10.644 11.041 0.666 289 HZ2 TRP 32 2HZ TRP 32 -8.251 7.369 -1.712 290 HZ3 TRP 32 3HZ TRP 32 -11.532 8.748 0.641 291 HH2 TRP 32 HH TRP 32 -10.361 6.950 -0.523 292 H ALA 33 H ALA 33 -7.720 16.169 -2.186 293 HA ALA 33 HA ALA 33 -7.692 17.829 0.034 294 1HB ALA 33 1HB ALA 33 -6.336 18.515 -1.718 295 2HB ALA 33 2HB ALA 33 -7.642 19.700 -1.742 296 3HB ALA 33 3HB ALA 33 -7.631 18.376 -2.908 297 H ASP 34 H ASP 34 -9.983 18.057 -2.701 298 HA ASP 34 HA ASP 34 -11.756 19.707 -1.121 299 1HB ASP 34 2HB ASP 34 -13.195 19.606 -3.214 300 2HB ASP 34 1HB ASP 34 -11.605 20.338 -3.402 301 H GLY 35 H GLY 35 -11.221 16.506 -1.047 302 1HA GLY 35 2HA GLY 35 -12.438 14.810 -0.072 303 2HA GLY 35 1HA GLY 35 -13.753 15.952 0.163 304 H LEU 36 H LEU 36 -12.338 15.323 -2.974 305 HA LEU 36 HA LEU 36 -14.892 14.634 -4.060 306 1HB LEU 36 2HB LEU 36 -12.202 15.197 -5.068 307 2HB LEU 36 1HB LEU 36 -13.050 13.973 -5.996 308 HG LEU 36 HG LEU 36 -13.284 16.333 -6.839 309 1HD1 LEU 36 1HD1 LEU 36 -16.002 15.359 -6.137 310 2HD1 LEU 36 2HD1 LEU 36 -14.945 14.300 -7.071 311 3HD1 LEU 36 3HD1 LEU 36 -15.356 15.901 -7.686 312 1HD2 LEU 36 1HD2 LEU 36 -14.140 17.981 -5.596 313 2HD2 LEU 36 2HD2 LEU 36 -13.804 16.939 -4.215 314 3HD2 LEU 36 3HD2 LEU 36 -15.412 16.951 -4.940 315 H ALA 37 H ALA 37 -11.882 12.842 -3.467 316 HA ALA 37 HA ALA 37 -12.721 10.382 -4.519 317 1HB ALA 37 1HB ALA 37 -10.971 9.577 -2.658 318 2HB ALA 37 2HB ALA 37 -10.561 11.291 -2.721 319 3HB ALA 37 3HB ALA 37 -10.485 10.312 -4.186 320 H LEU 38 H LEU 38 -12.846 11.631 -1.193 321 HA LEU 38 HA LEU 38 -14.023 9.316 -0.071 322 1HB LEU 38 2HB LEU 38 -12.871 11.461 0.997 323 2HB LEU 38 1HB LEU 38 -14.538 11.991 1.122 324 HG LEU 38 HG LEU 38 -14.151 9.273 2.109 325 1HD1 LEU 38 1HD1 LEU 38 -13.021 11.267 3.970 326 2HD1 LEU 38 2HD1 LEU 38 -11.982 10.747 2.642 327 3HD1 LEU 38 3HD1 LEU 38 -12.639 9.556 3.764 328 1HD2 LEU 38 1HD2 LEU 38 -16.150 10.136 2.765 329 2HD2 LEU 38 2HD2 LEU 38 -15.528 11.782 2.885 330 3HD2 LEU 38 3HD2 LEU 38 -15.177 10.611 4.157 331 H CYS 39 H CYS 39 -15.398 12.375 -1.233 332 HA CYS 39 HA CYS 39 -18.072 11.804 -0.554 333 1HB CYS 39 2HB CYS 39 -16.782 13.685 -2.512 334 2HB CYS 39 1HB CYS 39 -18.533 13.522 -2.441 335 HG CYS 39 HG CYS 39 -18.581 14.903 -0.417 336 H ALA 40 H ALA 40 -16.214 11.252 -3.516 337 HA ALA 40 HA ALA 40 -18.284 10.350 -5.155 338 1HB ALA 40 1HB ALA 40 -16.201 8.894 -6.063 339 2HB ALA 40 2HB ALA 40 -15.349 10.129 -5.134 340 3HB ALA 40 3HB ALA 40 -16.446 10.601 -6.432 341 H LEU 41 H LEU 41 -16.269 8.590 -2.838 342 HA LEU 41 HA LEU 41 -17.285 6.017 -3.464 343 1HB LEU 41 2HB LEU 41 -15.562 7.209 -1.404 344 2HB LEU 41 1HB LEU 41 -16.465 5.805 -0.864 345 HG LEU 41 HG LEU 41 -15.475 4.890 -3.225 346 1HD1 LEU 41 1HD1 LEU 41 -12.954 5.576 -2.886 347 2HD1 LEU 41 2HD1 LEU 41 -13.682 7.049 -2.244 348 3HD1 LEU 41 3HD1 LEU 41 -14.040 6.535 -3.893 349 1HD2 LEU 41 1HD2 LEU 41 -13.660 4.655 -0.902 350 2HD2 LEU 41 2HD2 LEU 41 -14.369 3.404 -1.923 351 3HD2 LEU 41 3HD2 LEU 41 -15.335 4.159 -0.656 352 H VAL 42 H VAL 42 -18.017 8.283 -0.818 353 HA VAL 42 HA VAL 42 -19.980 6.760 0.448 354 HB VAL 42 HB VAL 42 -20.046 9.768 0.276 355 1HG1 VAL 42 1HG1 VAL 42 -20.583 8.544 2.843 356 2HG1 VAL 42 2HG1 VAL 42 -21.671 7.943 1.591 357 3HG1 VAL 42 3HG1 VAL 42 -21.559 9.674 1.905 358 1HG2 VAL 42 1HG2 VAL 42 -17.892 8.163 1.176 359 2HG2 VAL 42 2HG2 VAL 42 -18.657 8.875 2.596 360 3HG2 VAL 42 3HG2 VAL 42 -18.076 9.911 1.293 361 H TYR 43 H TYR 43 -20.318 9.208 -2.108 362 HA TYR 43 HA TYR 43 -23.103 9.179 -2.295 363 1HB TYR 43 2HB TYR 43 -21.667 10.867 -3.385 364 2HB TYR 43 1HB TYR 43 -21.107 9.644 -4.520 365 HD1 TYR 43 1HD TYR 43 -24.395 10.912 -3.255 366 HD2 TYR 43 2HD TYR 43 -22.059 9.737 -6.612 367 HE1 TYR 43 1HE TYR 43 -26.279 11.439 -4.743 368 HE2 TYR 43 2HE TYR 43 -23.937 10.263 -8.110 369 HH TYR 43 HH TYR 43 -26.385 10.469 -7.991 370 H ARG 44 H ARG 44 -20.675 7.096 -3.773 371 HA ARG 44 HA ARG 44 -22.373 5.744 -5.562 372 1HB ARG 44 2HB ARG 44 -19.664 5.639 -4.846 373 2HB ARG 44 1HB ARG 44 -20.287 4.028 -4.518 374 1HG ARG 44 2HG ARG 44 -21.257 4.941 -7.055 375 2HG ARG 44 1HG ARG 44 -19.503 5.107 -6.985 376 1HD ARG 44 2HD ARG 44 -19.237 2.794 -6.442 377 2HD ARG 44 1HD ARG 44 -20.974 2.589 -6.233 378 HE ARG 44 HE ARG 44 -20.765 3.407 -8.798 379 1HH1 ARG 44 1HH1 ARG 44 -19.207 0.868 -6.980 380 2HH1 ARG 44 2HH1 ARG 44 -19.007 -0.166 -8.354 381 1HH2 ARG 44 1HH2 ARG 44 -20.503 2.050 -10.607 382 2HH2 ARG 44 2HH2 ARG 44 -19.741 0.506 -10.414 383 H LEU 45 H LEU 45 -21.597 5.200 -2.170 384 HA LEU 45 HA LEU 45 -23.025 2.714 -2.017 385 1HB LEU 45 2HB LEU 45 -21.659 4.517 -0.074 386 2HB LEU 45 1HB LEU 45 -22.804 3.340 0.541 387 HG LEU 45 HG LEU 45 -20.448 2.565 0.605 388 1HD1 LEU 45 1HD1 LEU 45 -20.892 0.358 -0.195 389 2HD1 LEU 45 2HD1 LEU 45 -22.145 0.949 -1.287 390 3HD1 LEU 45 3HD1 LEU 45 -22.393 1.014 0.458 391 1HD2 LEU 45 1HD2 LEU 45 -19.483 1.826 -1.603 392 2HD2 LEU 45 2HD2 LEU 45 -19.506 3.567 -1.324 393 3HD2 LEU 45 3HD2 LEU 45 -20.708 2.828 -2.381 394 H GLN 46 H GLN 46 -23.673 6.073 -1.117 395 HA GLN 46 HA GLN 46 -26.525 5.386 -0.915 396 1HB GLN 46 2HB GLN 46 -24.808 6.441 1.160 397 2HB GLN 46 1HB GLN 46 -26.117 7.559 0.812 398 1HG GLN 46 2HG GLN 46 -27.635 6.259 1.788 399 2HG GLN 46 1HG GLN 46 -27.012 4.801 1.015 400 1HE2 GLN 46 1HE2 GLN 46 -27.934 5.116 3.724 401 2HE2 GLN 46 2HE2 GLN 46 -26.605 4.722 4.754 402 HA PRO 47 HA PRO 47 -25.809 8.814 -3.978 403 1HB PRO 47 2HB PRO 47 -27.744 7.930 -5.696 404 2HB PRO 47 1HB PRO 47 -26.057 7.404 -5.765 405 1HG PRO 47 2HG PRO 47 -28.421 6.034 -4.541 406 2HG PRO 47 1HG PRO 47 -27.107 5.347 -5.515 407 1HD PRO 47 2HD PRO 47 -27.159 5.123 -2.832 408 2HD PRO 47 1HD PRO 47 -25.638 5.302 -3.728 409 H GLY 48 H GLY 48 -28.658 7.456 -2.457 410 1HA GLY 48 2HA GLY 48 -30.214 9.870 -2.975 411 2HA GLY 48 1HA GLY 48 -30.797 8.404 -2.204 412 H LEU 49 H LEU 49 -27.879 9.165 -0.810 413 HA LEU 49 HA LEU 49 -29.078 10.948 1.189 414 1HB LEU 49 2HB LEU 49 -28.044 8.202 1.594 415 2HB LEU 49 1HB LEU 49 -27.589 9.390 2.802 416 HG LEU 49 HG LEU 49 -30.466 9.078 2.031 417 1HD1 LEU 49 1HD1 LEU 49 -28.826 7.044 3.251 418 2HD1 LEU 49 2HD1 LEU 49 -30.518 6.981 2.759 419 3HD1 LEU 49 3HD1 LEU 49 -30.088 7.591 4.357 420 1HD2 LEU 49 1HD2 LEU 49 -30.891 10.285 3.893 421 2HD2 LEU 49 2HD2 LEU 49 -29.240 10.847 3.633 422 3HD2 LEU 49 3HD2 LEU 49 -29.559 9.563 4.798 423 H LEU 50 H LEU 50 -27.122 11.341 -0.979 424 HA LEU 50 HA LEU 50 -25.015 12.523 0.666 425 1HB LEU 50 2HB LEU 50 -24.659 10.342 -1.268 426 2HB LEU 50 1HB LEU 50 -23.565 11.693 -1.502 427 HG LEU 50 HG LEU 50 -22.456 10.097 -0.122 428 1HD1 LEU 50 1HD1 LEU 50 -21.644 11.585 1.338 429 2HD1 LEU 50 2HD1 LEU 50 -23.219 11.868 2.078 430 3HD1 LEU 50 3HD1 LEU 50 -22.781 12.705 0.590 431 1HD2 LEU 50 1HD2 LEU 50 -24.236 10.149 2.177 432 2HD2 LEU 50 2HD2 LEU 50 -23.456 8.785 1.379 433 3HD2 LEU 50 3HD2 LEU 50 -24.980 9.416 0.755 434 H GLU 51 H GLU 51 -23.687 14.087 -0.571 435 HA GLU 51 HA GLU 51 -24.891 15.127 -3.006 436 1HB GLU 51 2HB GLU 51 -24.732 16.687 -0.426 437 2HB GLU 51 1HB GLU 51 -24.926 17.454 -1.997 438 1HG GLU 51 2HG GLU 51 -26.824 15.343 -1.045 439 2HG GLU 51 1HG GLU 51 -27.014 17.035 -0.588 440 HA PRO 52 HA PRO 52 -20.176 15.167 -2.640 441 1HB PRO 52 2HB PRO 52 -19.931 14.334 -5.284 442 2HB PRO 52 1HB PRO 52 -19.832 13.285 -3.868 443 1HG PRO 52 2HG PRO 52 -22.142 13.805 -5.687 444 2HG PRO 52 1HG PRO 52 -21.629 12.287 -4.925 445 1HD PRO 52 2HD PRO 52 -23.710 13.678 -3.978 446 2HD PRO 52 1HD PRO 52 -22.586 12.846 -2.881 447 H SER 53 H SER 53 -22.077 15.958 -5.560 448 HA SER 53 HA SER 53 -20.398 17.902 -6.593 449 1HB SER 53 2HB SER 53 -23.272 17.235 -6.875 450 2HB SER 53 1HB SER 53 -22.801 18.860 -7.375 451 HG SER 53 HG SER 53 -21.593 16.450 -8.268 452 H GLU 54 H GLU 54 -22.664 18.101 -3.952 453 HA GLU 54 HA GLU 54 -22.783 20.943 -3.827 454 1HB GLU 54 2HB GLU 54 -24.475 19.396 -2.830 455 2HB GLU 54 1HB GLU 54 -23.293 18.960 -1.605 456 1HG GLU 54 2HG GLU 54 -23.272 21.185 -0.736 457 2HG GLU 54 1HG GLU 54 -24.276 21.765 -2.066 458 H LEU 55 H LEU 55 -20.976 18.517 -1.945 459 HA LEU 55 HA LEU 55 -19.468 20.575 -0.583 460 1HB LEU 55 2HB LEU 55 -19.474 17.574 -0.481 461 2HB LEU 55 1HB LEU 55 -18.244 18.515 0.341 462 HG LEU 55 HG LEU 55 -19.972 17.908 1.910 463 1HD1 LEU 55 1HD1 LEU 55 -20.048 19.911 2.938 464 2HD1 LEU 55 2HD1 LEU 55 -20.691 20.739 1.519 465 3HD1 LEU 55 3HD1 LEU 55 -18.967 20.386 1.628 466 1HD2 LEU 55 1HD2 LEU 55 -21.732 17.747 0.045 467 2HD2 LEU 55 2HD2 LEU 55 -21.979 19.471 0.324 468 3HD2 LEU 55 3HD2 LEU 55 -22.250 18.319 1.631 469 H GLN 56 H GLN 56 -19.203 19.014 -3.538 470 HA GLN 56 HA GLN 56 -16.466 18.526 -3.768 471 1HB GLN 56 2HB GLN 56 -18.113 17.720 -5.387 472 2HB GLN 56 1HB GLN 56 -18.433 19.370 -5.898 473 1HG GLN 56 2HG GLN 56 -15.737 19.192 -6.251 474 2HG GLN 56 1HG GLN 56 -16.266 17.556 -6.635 475 1HE2 GLN 56 1HE2 GLN 56 -16.407 20.903 -7.534 476 2HE2 GLN 56 2HE2 GLN 56 -17.105 20.668 -9.096 477 H GLY 57 H GLY 57 -18.300 21.501 -4.263 478 1HA GLY 57 2HA GLY 57 -15.725 22.885 -4.702 479 2HA GLY 57 1HA GLY 57 -17.253 23.427 -5.379 480 H LEU 58 H LEU 58 -18.621 22.794 -2.777 481 HA LEU 58 HA LEU 58 -18.715 25.300 -1.672 482 1HB LEU 58 2HB LEU 58 -19.605 22.647 -0.933 483 2HB LEU 58 1HB LEU 58 -19.174 23.589 0.483 484 HG LEU 58 HG LEU 58 -20.662 25.422 -0.496 485 1HD1 LEU 58 1HD1 LEU 58 -21.943 25.061 -2.297 486 2HD1 LEU 58 2HD1 LEU 58 -22.261 23.383 -1.860 487 3HD1 LEU 58 3HD1 LEU 58 -20.758 23.811 -2.678 488 1HD2 LEU 58 1HD2 LEU 58 -22.369 24.710 0.830 489 2HD2 LEU 58 2HD2 LEU 58 -21.122 23.581 1.359 490 3HD2 LEU 58 3HD2 LEU 58 -22.334 23.069 0.183 491 H GLY 59 H GLY 59 -16.442 22.715 -0.974 492 1HA GLY 59 2HA GLY 59 -14.344 24.232 -0.154 493 2HA GLY 59 1HA GLY 59 -15.309 24.081 1.305 494 H ALA 60 H ALA 60 -12.649 23.122 0.912 495 HA ALA 60 HA ALA 60 -12.757 20.274 0.514 496 1HB ALA 60 1HB ALA 60 -10.347 20.584 1.579 497 2HB ALA 60 2HB ALA 60 -10.650 22.267 1.151 498 3HB ALA 60 3HB ALA 60 -10.690 21.020 -0.095 499 H LEU 61 H LEU 61 -12.031 22.356 3.316 500 HA LEU 61 HA LEU 61 -11.903 20.327 5.229 501 1HB LEU 61 2HB LEU 61 -12.915 23.110 5.775 502 2HB LEU 61 1HB LEU 61 -12.074 22.036 6.876 503 HG LEU 61 HG LEU 61 -10.889 23.439 4.482 504 1HD1 LEU 61 1HD1 LEU 61 -11.158 24.960 6.288 505 2HD1 LEU 61 2HD1 LEU 61 -9.460 24.480 6.258 506 3HD1 LEU 61 3HD1 LEU 61 -10.554 23.780 7.452 507 1HD2 LEU 61 1HD2 LEU 61 -10.059 21.064 5.007 508 2HD2 LEU 61 2HD2 LEU 61 -9.362 21.784 6.459 509 3HD2 LEU 61 3HD2 LEU 61 -8.863 22.353 4.867 510 H GLU 62 H GLU 62 -14.654 22.198 4.043 511 HA GLU 62 HA GLU 62 -16.526 21.152 5.912 512 1HB GLU 62 2HB GLU 62 -16.575 22.918 3.581 513 2HB GLU 62 1HB GLU 62 -18.019 21.926 3.722 514 1HG GLU 62 2HG GLU 62 -17.622 22.843 6.289 515 2HG GLU 62 1HG GLU 62 -17.168 24.219 5.284 516 H ALA 63 H ALA 63 -15.549 20.242 2.646 517 HA ALA 63 HA ALA 63 -17.547 18.312 2.188 518 1HB ALA 63 1HB ALA 63 -16.139 19.260 0.413 519 2HB ALA 63 2HB ALA 63 -16.117 17.496 0.405 520 3HB ALA 63 3HB ALA 63 -14.749 18.392 1.065 521 H THR 64 H THR 64 -14.290 18.049 3.563 522 HA THR 64 HA THR 64 -14.330 15.236 3.869 523 HB THR 64 HB THR 64 -12.739 17.135 5.584 524 HG1 THR 64 1HG THR 64 -11.417 17.517 3.949 525 1HG2 THR 64 1HG2 THR 64 -11.736 14.598 4.378 526 2HG2 THR 64 2HG2 THR 64 -12.688 14.566 5.864 527 3HG2 THR 64 3HG2 THR 64 -11.172 15.465 5.807 528 H ALA 65 H ALA 65 -14.903 17.877 6.187 529 HA ALA 65 HA ALA 65 -15.513 16.224 8.382 530 1HB ALA 65 1HB ALA 65 -16.450 18.227 9.407 531 2HB ALA 65 2HB ALA 65 -16.429 19.047 7.845 532 3HB ALA 65 3HB ALA 65 -14.913 18.582 8.618 533 H TRP 66 H TRP 66 -17.587 17.753 5.943 534 HA TRP 66 HA TRP 66 -20.039 16.903 7.072 535 1HB TRP 66 2HB TRP 66 -19.661 18.738 5.328 536 2HB TRP 66 1HB TRP 66 -19.592 17.440 4.139 537 HD1 TRP 66 HD TRP 66 -22.024 19.394 6.301 538 HE1 TRP 66 1HE TRP 66 -24.430 18.771 5.633 539 HE3 TRP 66 3HE TRP 66 -21.015 15.459 3.195 540 HZ2 TRP 66 2HZ TRP 66 -25.729 16.866 4.005 541 HZ3 TRP 66 3HZ TRP 66 -22.896 14.291 2.122 542 HH2 TRP 66 HH TRP 66 -25.204 14.982 2.521 543 H ALA 67 H ALA 67 -18.088 15.607 4.395 544 HA ALA 67 HA ALA 67 -19.755 13.406 3.841 545 1HB ALA 67 1HB ALA 67 -16.782 13.573 3.374 546 2HB ALA 67 2HB ALA 67 -17.996 14.304 2.323 547 3HB ALA 67 3HB ALA 67 -17.944 12.553 2.525 548 H LEU 68 H LEU 68 -16.987 13.794 6.004 549 HA LEU 68 HA LEU 68 -16.750 11.072 6.721 550 1HB LEU 68 2HB LEU 68 -15.836 13.649 7.938 551 2HB LEU 68 1HB LEU 68 -15.658 12.153 8.832 552 HG LEU 68 HG LEU 68 -14.503 12.634 6.086 553 1HD1 LEU 68 1HD1 LEU 68 -13.532 14.078 7.878 554 2HD1 LEU 68 2HD1 LEU 68 -12.387 12.965 7.131 555 3HD1 LEU 68 3HD1 LEU 68 -13.054 12.607 8.724 556 1HD2 LEU 68 1HD2 LEU 68 -14.867 10.304 6.454 557 2HD2 LEU 68 2HD2 LEU 68 -14.205 10.401 8.085 558 3HD2 LEU 68 3HD2 LEU 68 -13.148 10.620 6.690 559 H LYS 69 H LYS 69 -18.557 13.768 8.136 560 HA LYS 69 HA LYS 69 -19.468 12.332 10.407 561 1HB LYS 69 2HB LYS 69 -19.887 14.958 9.223 562 2HB LYS 69 1HB LYS 69 -21.365 14.306 9.914 563 1HG LYS 69 2HG LYS 69 -19.869 13.804 11.977 564 2HG LYS 69 1HG LYS 69 -18.798 15.010 11.259 565 1HD LYS 69 2HD LYS 69 -20.162 16.712 11.793 566 2HD LYS 69 1HD LYS 69 -21.615 15.810 11.352 567 1HE LYS 69 2HE LYS 69 -20.957 14.476 13.566 568 2HE LYS 69 1HE LYS 69 -20.225 16.032 13.962 569 1HZ LYS 69 1HZ LYS 69 -22.525 15.834 14.748 570 2HZ LYS 69 2HZ LYS 69 -23.058 15.650 13.153 571 3HZ LYS 69 3HZ LYS 69 -22.341 17.103 13.643 572 H VAL 70 H VAL 70 -20.999 13.110 7.290 573 HA VAL 70 HA VAL 70 -23.409 11.713 7.846 574 HB VAL 70 HB VAL 70 -23.846 11.879 5.421 575 1HG1 VAL 70 1HG1 VAL 70 -22.778 14.560 6.039 576 2HG1 VAL 70 2HG1 VAL 70 -23.875 13.862 7.231 577 3HG1 VAL 70 3HG1 VAL 70 -24.403 14.065 5.560 578 1HG2 VAL 70 1HG2 VAL 70 -20.958 12.562 5.384 579 2HG2 VAL 70 2HG2 VAL 70 -22.014 13.409 4.254 580 3HG2 VAL 70 3HG2 VAL 70 -21.922 11.649 4.223 581 H ALA 71 H ALA 71 -20.407 10.829 6.199 582 HA ALA 71 HA ALA 71 -21.170 8.370 5.145 583 1HB ALA 71 1HB ALA 71 -19.066 9.266 4.513 584 2HB ALA 71 2HB ALA 71 -18.729 7.771 5.384 585 3HB ALA 71 3HB ALA 71 -18.511 9.327 6.185 586 H GLU 72 H GLU 72 -19.951 9.195 8.353 587 HA GLU 72 HA GLU 72 -19.950 6.533 9.347 588 1HB GLU 72 2HB GLU 72 -18.575 8.283 10.363 589 2HB GLU 72 1HB GLU 72 -20.021 9.175 10.818 590 1HG GLU 72 2HG GLU 72 -20.687 7.231 12.227 591 2HG GLU 72 1HG GLU 72 -19.119 6.508 11.873 592 H ASN 73 H ASN 73 -22.280 9.168 9.336 593 HA ASN 73 HA ASN 73 -24.134 7.925 11.097 594 1HB ASN 73 2HB ASN 73 -24.348 10.200 9.137 595 2HB ASN 73 1HB ASN 73 -25.738 9.634 10.059 596 1HD2 ASN 73 1HD2 ASN 73 -24.362 12.205 10.116 597 2HD2 ASN 73 2HD2 ASN 73 -23.865 12.443 11.754 598 H GLU 74 H GLU 74 -23.832 8.072 7.577 599 HA GLU 74 HA GLU 74 -26.252 6.573 7.146 600 1HB GLU 74 2HB GLU 74 -24.354 8.061 5.530 601 2HB GLU 74 1HB GLU 74 -24.805 6.544 4.768 602 1HG GLU 74 2HG GLU 74 -26.233 8.395 4.062 603 2HG GLU 74 1HG GLU 74 -27.145 7.135 4.895 604 H LEU 75 H LEU 75 -22.772 5.897 6.946 605 HA LEU 75 HA LEU 75 -23.353 3.108 6.295 606 1HB LEU 75 2HB LEU 75 -21.441 4.797 5.373 607 2HB LEU 75 1HB LEU 75 -20.551 3.948 6.623 608 HG LEU 75 HG LEU 75 -22.073 2.505 4.460 609 1HD1 LEU 75 1HD1 LEU 75 -19.375 3.750 4.411 610 2HD1 LEU 75 2HD1 LEU 75 -20.562 3.567 3.120 611 3HD1 LEU 75 3HD1 LEU 75 -19.596 2.184 3.631 612 1HD2 LEU 75 1HD2 LEU 75 -20.371 0.731 5.073 613 2HD2 LEU 75 2HD2 LEU 75 -21.613 1.072 6.277 614 3HD2 LEU 75 3HD2 LEU 75 -19.987 1.723 6.479 615 H GLY 76 H GLY 76 -21.708 5.007 8.809 616 1HA GLY 76 2HA GLY 76 -21.854 4.323 11.117 617 2HA GLY 76 1HA GLY 76 -21.960 2.659 10.571 618 H ILE 77 H ILE 77 -19.631 4.647 9.010 619 HA ILE 77 HA ILE 77 -17.494 3.120 10.295 620 HB ILE 77 HB ILE 77 -17.251 4.975 7.930 621 1HG1 ILE 77 2HG1 ILE 77 -18.885 3.179 7.469 622 2HG1 ILE 77 1HG1 ILE 77 -17.423 3.005 6.504 623 1HG2 ILE 77 1HG2 ILE 77 -15.481 2.642 8.499 624 2HG2 ILE 77 2HG2 ILE 77 -15.241 4.155 9.371 625 3HG2 ILE 77 3HG2 ILE 77 -15.135 4.126 7.611 626 1HD1 ILE 77 1HD1 ILE 77 -16.916 1.033 7.419 627 2HD1 ILE 77 2HD1 ILE 77 -18.608 1.018 7.919 628 3HD1 ILE 77 3HD1 ILE 77 -17.362 1.559 9.043 629 H THR 78 H THR 78 -16.488 3.994 11.974 630 HA THR 78 HA THR 78 -16.681 6.774 12.601 631 HB THR 78 HB THR 78 -14.890 4.683 13.849 632 HG1 THR 78 1HG THR 78 -17.511 5.471 14.583 633 1HG2 THR 78 1HG2 THR 78 -14.745 7.303 14.344 634 2HG2 THR 78 2HG2 THR 78 -14.489 6.068 15.576 635 3HG2 THR 78 3HG2 THR 78 -16.054 6.870 15.444 636 HA PRO 79 HA PRO 79 -13.295 8.331 10.179 637 1HB PRO 79 2HB PRO 79 -12.990 10.216 12.463 638 2HB PRO 79 1HB PRO 79 -13.152 10.556 10.736 639 1HG PRO 79 2HG PRO 79 -15.195 10.958 12.396 640 2HG PRO 79 1HG PRO 79 -15.457 10.306 10.767 641 1HD PRO 79 2HD PRO 79 -15.480 8.899 13.400 642 2HD PRO 79 1HD PRO 79 -16.488 8.626 11.964 643 H VAL 80 H VAL 80 -11.068 8.226 10.150 644 HA VAL 80 HA VAL 80 -9.812 7.080 12.557 645 HB VAL 80 HB VAL 80 -8.854 6.737 9.717 646 1HG1 VAL 80 1HG1 VAL 80 -7.141 5.561 10.547 647 2HG1 VAL 80 2HG1 VAL 80 -8.157 4.740 11.731 648 3HG1 VAL 80 3HG1 VAL 80 -7.523 6.348 12.077 649 1HG2 VAL 80 1HG2 VAL 80 -10.405 4.740 11.358 650 2HG2 VAL 80 2HG2 VAL 80 -9.873 4.573 9.684 651 3HG2 VAL 80 3HG2 VAL 80 -11.117 5.752 10.100 652 H VAL 81 H VAL 81 -9.667 9.597 10.177 653 HA VAL 81 HA VAL 81 -7.339 10.726 11.570 654 HB VAL 81 HB VAL 81 -7.712 10.887 8.578 655 1HG1 VAL 81 1HG1 VAL 81 -6.496 12.762 9.418 656 2HG1 VAL 81 2HG1 VAL 81 -5.336 11.661 8.674 657 3HG1 VAL 81 3HG1 VAL 81 -5.489 11.727 10.430 658 1HG2 VAL 81 1HG2 VAL 81 -6.095 9.211 8.282 659 2HG2 VAL 81 2HG2 VAL 81 -7.186 8.572 9.511 660 3HG2 VAL 81 3HG2 VAL 81 -5.625 9.244 9.981 661 H SER 82 H SER 82 -7.151 13.063 11.362 662 HA SER 82 HA SER 82 -9.708 14.337 11.581 663 1HB SER 82 2HB SER 82 -7.482 14.860 12.850 664 2HB SER 82 1HB SER 82 -7.120 15.852 11.437 665 HG SER 82 HG SER 82 -8.213 16.975 13.166 666 H ALA 83 H ALA 83 -10.424 16.162 10.349 667 HA ALA 83 HA ALA 83 -10.296 15.782 7.572 668 1HB ALA 83 1HB ALA 83 -12.227 16.840 8.258 669 2HB ALA 83 2HB ALA 83 -11.306 18.183 7.582 670 3HB ALA 83 3HB ALA 83 -11.365 17.947 9.329 671 H GLN 84 H GLN 84 -8.672 18.127 9.678 672 HA GLN 84 HA GLN 84 -7.449 19.693 7.737 673 1HB GLN 84 2HB GLN 84 -6.314 18.916 10.430 674 2HB GLN 84 1HB GLN 84 -5.827 20.302 9.462 675 1HG GLN 84 2HG GLN 84 -8.572 19.884 10.623 676 2HG GLN 84 1HG GLN 84 -7.313 20.905 11.321 677 1HE2 GLN 84 1HE2 GLN 84 -6.967 22.906 10.507 678 2HE2 GLN 84 2HE2 GLN 84 -7.910 23.613 9.244 679 H ALA 85 H ALA 85 -6.320 16.686 9.235 680 HA ALA 85 HA ALA 85 -3.816 16.622 7.909 681 1HB ALA 85 1HB ALA 85 -5.439 14.685 9.474 682 2HB ALA 85 2HB ALA 85 -3.789 15.251 9.734 683 3HB ALA 85 3HB ALA 85 -4.125 14.059 8.479 684 H VAL 86 H VAL 86 -6.986 15.256 7.154 685 HA VAL 86 HA VAL 86 -6.194 13.698 4.948 686 HB VAL 86 HB VAL 86 -8.886 15.009 5.341 687 1HG1 VAL 86 1HG1 VAL 86 -9.760 13.306 3.944 688 2HG1 VAL 86 2HG1 VAL 86 -8.236 12.419 3.954 689 3HG1 VAL 86 3HG1 VAL 86 -8.351 13.963 3.111 690 1HG2 VAL 86 1HG2 VAL 86 -8.612 12.218 6.153 691 2HG2 VAL 86 2HG2 VAL 86 -9.396 13.567 6.975 692 3HG2 VAL 86 3HG2 VAL 86 -7.657 13.331 7.133 693 H VAL 87 H VAL 87 -7.599 16.972 5.079 694 HA VAL 87 HA VAL 87 -7.518 17.451 2.308 695 HB VAL 87 HB VAL 87 -7.313 19.542 4.477 696 1HG1 VAL 87 1HG1 VAL 87 -8.311 21.028 2.882 697 2HG1 VAL 87 2HG1 VAL 87 -8.530 19.713 1.725 698 3HG1 VAL 87 3HG1 VAL 87 -6.907 20.267 2.132 699 1HG2 VAL 87 1HG2 VAL 87 -9.970 19.089 3.419 700 2HG2 VAL 87 2HG2 VAL 87 -9.421 19.171 5.093 701 3HG2 VAL 87 3HG2 VAL 87 -9.326 17.649 4.208 702 H ALA 88 H ALA 88 -5.130 17.873 4.842 703 HA ALA 88 HA ALA 88 -3.296 19.298 3.119 704 1HB ALA 88 1HB ALA 88 -2.112 19.772 4.987 705 2HB ALA 88 2HB ALA 88 -2.333 18.161 5.671 706 3HB ALA 88 3HB ALA 88 -3.632 19.349 5.774 707 H GLY 89 H GLY 89 -4.073 16.040 3.686 708 1HA GLY 89 2HA GLY 89 -3.140 14.090 2.920 709 2HA GLY 89 1HA GLY 89 -2.147 15.084 1.865 710 H SER 90 H SER 90 -2.130 15.338 5.362 711 HA SER 90 HA SER 90 0.677 14.483 5.338 712 1HB SER 90 2HB SER 90 0.926 15.710 7.418 713 2HB SER 90 1HB SER 90 0.150 16.753 6.225 714 HG SER 90 HG SER 90 -0.795 15.829 8.611 715 H ASP 91 H ASP 91 -1.391 12.528 5.237 716 HA ASP 91 HA ASP 91 -0.617 10.944 7.515 717 1HB ASP 91 2HB ASP 91 -3.142 12.345 7.520 718 2HB ASP 91 1HB ASP 91 -3.415 10.607 7.524 719 HA PRO 92 HA PRO 92 -1.300 8.733 3.437 720 1HB PRO 92 2HB PRO 92 1.018 7.273 3.676 721 2HB PRO 92 1HB PRO 92 0.903 8.822 2.834 722 1HG PRO 92 2HG PRO 92 1.856 8.237 5.610 723 2HG PRO 92 1HG PRO 92 2.527 9.354 4.405 724 1HD PRO 92 2HD PRO 92 1.022 10.226 6.452 725 2HD PRO 92 1HD PRO 92 0.941 10.983 4.848 726 H LEU 93 H LEU 93 0.006 7.494 6.505 727 HA LEU 93 HA LEU 93 -0.864 4.835 6.163 728 1HB LEU 93 2HB LEU 93 0.020 6.493 8.481 729 2HB LEU 93 1HB LEU 93 -0.752 4.950 8.800 730 HG LEU 93 HG LEU 93 1.018 3.999 7.145 731 1HD1 LEU 93 1HD1 LEU 93 1.828 6.181 6.378 732 2HD1 LEU 93 2HD1 LEU 93 3.113 5.226 7.118 733 3HD1 LEU 93 3HD1 LEU 93 2.369 6.550 8.016 734 1HD2 LEU 93 1HD2 LEU 93 0.802 4.022 9.824 735 2HD2 LEU 93 2HD2 LEU 93 2.348 4.850 9.638 736 3HD2 LEU 93 3HD2 LEU 93 2.124 3.237 8.961 737 H GLY 94 H GLY 94 -2.405 7.692 7.509 738 1HA GLY 94 2HA GLY 94 -4.661 6.265 8.566 739 2HA GLY 94 1HA GLY 94 -4.511 8.008 8.408 740 H LEU 95 H LEU 95 -4.034 8.120 5.616 741 HA LEU 95 HA LEU 95 -6.686 8.111 4.661 742 1HB LEU 95 2HB LEU 95 -4.184 9.080 3.801 743 2HB LEU 95 1HB LEU 95 -4.777 8.056 2.506 744 HG LEU 95 HG LEU 95 -6.999 9.475 2.926 745 1HD1 LEU 95 1HD1 LEU 95 -6.413 11.818 3.366 746 2HD1 LEU 95 2HD1 LEU 95 -4.761 11.324 3.733 747 3HD1 LEU 95 3HD1 LEU 95 -6.092 10.782 4.755 748 1HD2 LEU 95 1HD2 LEU 95 -4.632 9.844 1.195 749 2HD2 LEU 95 2HD2 LEU 95 -5.789 11.175 1.250 750 3HD2 LEU 95 3HD2 LEU 95 -6.320 9.564 0.769 751 H ILE 96 H ILE 96 -3.966 5.903 4.109 752 HA ILE 96 HA ILE 96 -5.326 4.249 2.251 753 HB ILE 96 HB ILE 96 -3.559 2.560 2.782 754 1HG1 ILE 96 2HG1 ILE 96 -1.652 3.989 4.155 755 2HG1 ILE 96 1HG1 ILE 96 -3.128 4.425 5.008 756 1HG2 ILE 96 1HG2 ILE 96 -2.574 5.348 2.194 757 2HG2 ILE 96 2HG2 ILE 96 -3.274 4.232 1.022 758 3HG2 ILE 96 3HG2 ILE 96 -1.739 3.846 1.801 759 1HD1 ILE 96 1HD1 ILE 96 -3.255 2.441 5.995 760 2HD1 ILE 96 2HD1 ILE 96 -1.597 2.193 5.447 761 3HD1 ILE 96 3HD1 ILE 96 -2.943 1.576 4.488 762 H ALA 97 H ALA 97 -4.903 4.106 5.759 763 HA ALA 97 HA ALA 97 -6.043 1.586 6.196 764 1HB ALA 97 1HB ALA 97 -6.638 2.703 8.492 765 2HB ALA 97 2HB ALA 97 -5.625 4.010 7.879 766 3HB ALA 97 3HB ALA 97 -4.959 2.385 8.053 767 H TYR 98 H TYR 98 -7.512 4.805 6.043 768 HA TYR 98 HA TYR 98 -10.122 4.056 6.748 769 1HB TYR 98 2HB TYR 98 -8.975 6.422 6.359 770 2HB TYR 98 1HB TYR 98 -9.699 6.246 4.764 771 HD1 TYR 98 1HD TYR 98 -11.449 7.784 4.735 772 HD2 TYR 98 2HD TYR 98 -11.027 5.196 8.085 773 HE1 TYR 98 1HE TYR 98 -13.598 8.587 5.619 774 HE2 TYR 98 2HE TYR 98 -13.175 5.990 8.977 775 HH TYR 98 HH TYR 98 -15.410 7.634 7.199 776 H LEU 99 H LEU 99 -8.530 4.289 3.590 777 HA LEU 99 HA LEU 99 -10.739 3.705 1.984 778 1HB LEU 99 2HB LEU 99 -7.819 3.684 1.690 779 2HB LEU 99 1HB LEU 99 -8.646 2.561 0.629 780 HG LEU 99 HG LEU 99 -9.577 5.399 0.767 781 1HD1 LEU 99 1HD1 LEU 99 -7.514 6.075 0.196 782 2HD1 LEU 99 2HD1 LEU 99 -7.938 5.428 -1.388 783 3HD1 LEU 99 3HD1 LEU 99 -6.994 4.453 -0.260 784 1HD2 LEU 99 1HD2 LEU 99 -11.017 4.319 -0.605 785 2HD2 LEU 99 2HD2 LEU 99 -9.851 3.064 -1.026 786 3HD2 LEU 99 3HD2 LEU 99 -9.756 4.649 -1.794 787 H SER 100 H SER 100 -8.589 1.613 3.794 788 HA SER 100 HA SER 100 -9.356 -0.839 2.628 789 1HB SER 100 2HB SER 100 -8.192 -0.152 5.329 790 2HB SER 100 1HB SER 100 -8.506 -1.811 4.824 791 HG SER 100 HG SER 100 -6.386 -0.360 4.294 792 H HIS 101 H HIS 101 -10.651 1.046 5.307 793 HA HIS 101 HA HIS 101 -12.473 -0.881 6.265 794 1HB HIS 101 2HB HIS 101 -11.693 1.637 7.053 795 2HB HIS 101 1HB HIS 101 -13.348 1.909 6.517 796 HD1 HIS 101 1HD HIS 101 -13.964 -1.215 7.558 797 HD2 HIS 101 2HD HIS 101 -12.696 2.113 9.701 798 HE1 HIS 101 1HE HIS 101 -14.623 -1.660 9.945 799 HE2 HIS 101 2HE HIS 101 -13.925 0.405 11.207 800 H PHE 102 H PHE 102 -12.798 1.723 3.886 801 HA PHE 102 HA PHE 102 -15.558 1.305 3.381 802 1HB PHE 102 2HB PHE 102 -13.350 2.760 1.970 803 2HB PHE 102 1HB PHE 102 -14.894 2.528 1.159 804 HD1 PHE 102 1HD PHE 102 -16.958 3.043 2.891 805 HD2 PHE 102 2HD PHE 102 -13.085 4.805 2.947 806 HE1 PHE 102 1HE PHE 102 -17.872 5.001 4.067 807 HE2 PHE 102 2HE PHE 102 -13.991 6.767 4.125 808 HZ PHE 102 HZ PHE 102 -16.387 6.866 4.687 809 H HIS 103 H HIS 103 -12.599 0.045 1.950 810 HA HIS 103 HA HIS 103 -13.822 -1.253 -0.251 811 1HB HIS 103 2HB HIS 103 -11.424 -0.747 -0.204 812 2HB HIS 103 1HB HIS 103 -11.205 -1.857 1.144 813 HD1 HIS 103 1HD HIS 103 -9.711 -3.536 0.003 814 HD2 HIS 103 2HD HIS 103 -13.216 -2.803 -2.104 815 HE1 HIS 103 1HE HIS 103 -9.769 -5.262 -1.825 816 HE2 HIS 103 2HE HIS 103 -11.855 -4.743 -3.141 817 H SER 104 H SER 104 -12.851 -2.379 2.972 818 HA SER 104 HA SER 104 -13.603 -5.071 2.607 819 1HB SER 104 2HB SER 104 -12.282 -3.737 4.559 820 2HB SER 104 1HB SER 104 -13.854 -3.943 5.334 821 HG SER 104 HG SER 104 -13.541 -6.039 5.442 822 H ALA 105 H ALA 105 -15.398 -2.209 3.491 823 HA ALA 105 HA ALA 105 -17.711 -3.547 4.470 824 1HB ALA 105 1HB ALA 105 -17.445 -0.750 3.374 825 2HB ALA 105 2HB ALA 105 -17.197 -1.227 5.053 826 3HB ALA 105 3HB ALA 105 -18.796 -1.372 4.323 827 H PHE 106 H PHE 106 -16.707 -2.361 1.309 828 HA PHE 106 HA PHE 106 -19.254 -3.066 0.109 829 1HB PHE 106 2HB PHE 106 -16.800 -2.255 -1.428 830 2HB PHE 106 1HB PHE 106 -18.494 -2.015 -1.848 831 HD1 PHE 106 1HD PHE 106 -19.299 -0.949 0.936 832 HD2 PHE 106 2HD PHE 106 -16.129 0.005 -1.739 833 HE1 PHE 106 1HE PHE 106 -19.204 1.327 1.865 834 HE2 PHE 106 2HE PHE 106 -16.028 2.282 -0.813 835 HZ PHE 106 HZ PHE 106 -17.567 2.945 0.993 836 H LYS 107 H LYS 107 -15.982 -4.301 0.308 837 HA LYS 107 HA LYS 107 -16.101 -6.212 -1.738 838 1HB LYS 107 2HB LYS 107 -14.039 -5.491 -0.505 839 2HB LYS 107 1HB LYS 107 -14.580 -6.457 0.862 840 1HG LYS 107 2HG LYS 107 -13.088 -7.861 -0.200 841 2HG LYS 107 1HG LYS 107 -14.644 -8.403 -0.831 842 1HD LYS 107 2HD LYS 107 -14.297 -7.350 -2.899 843 2HD LYS 107 1HD LYS 107 -12.993 -6.344 -2.264 844 1HE LYS 107 2HE LYS 107 -11.477 -8.120 -2.238 845 2HE LYS 107 1HE LYS 107 -12.755 -9.331 -2.330 846 1HZ LYS 107 1HZ LYS 107 -11.437 -8.925 -4.423 847 2HZ LYS 107 2HZ LYS 107 -12.218 -7.430 -4.535 848 3HZ LYS 107 3HZ LYS 107 -13.120 -8.859 -4.586 849 H SER 108 H SER 108 -17.303 -6.245 1.545 850 HA SER 108 HA SER 108 -18.237 -9.010 1.165 851 1HB SER 108 2HB SER 108 -17.846 -7.430 3.719 852 2HB SER 108 1HB SER 108 -18.491 -9.068 3.636 853 HG SER 108 HG SER 108 -15.971 -8.375 2.557 854 H MET 109 H MET 109 -19.296 -6.035 2.831 855 HA MET 109 HA MET 109 -21.343 -5.074 3.072 856 1HB MET 109 2HB MET 109 -21.179 -5.050 0.573 857 2HB MET 109 1HB MET 109 -22.065 -6.568 0.546 858 1HG MET 109 2HG MET 109 -23.994 -5.519 1.517 859 2HG MET 109 1HG MET 109 -23.112 -4.009 1.732 860 1HE MET 109 1HE MET 109 -23.355 -2.296 0.601 861 2HE MET 109 2HE MET 109 -24.244 -2.053 -0.902 862 3HE MET 109 3HE MET 109 -22.508 -2.353 -0.944 Start of MODEL 2 1 1H MET -8 1HT MET -8 19.905 -1.404 1.034 2 2H MET -8 2HT MET -8 21.508 -1.957 1.294 3 3H MET -8 3HT MET -8 20.471 -2.801 0.218 4 HA MET -8 HA MET -8 21.762 -0.194 -0.105 5 1HB MET -8 2HB MET -8 21.706 -2.849 -1.511 6 2HB MET -8 1HB MET -8 22.196 -1.398 -2.373 7 1HG MET -8 2HG MET -8 23.931 -1.025 -0.635 8 2HG MET -8 1HG MET -8 23.491 -2.579 0.071 9 1HE MET -8 1HE MET -8 26.036 -1.395 -3.276 10 2HE MET -8 2HE MET -8 24.525 -0.613 -2.815 11 3HE MET -8 3HE MET -8 24.542 -1.794 -4.125 12 H GLY -7 H GLY -7 21.187 0.972 -2.077 13 1HA GLY -7 2HA GLY -7 19.648 1.379 -3.882 14 2HA GLY -7 1HA GLY -7 18.433 0.472 -2.994 15 H HIS -6 H HIS -6 19.288 3.485 -3.934 16 HA HIS -6 HA HIS -6 18.777 5.027 -1.612 17 1HB HIS -6 2HB HIS -6 18.582 6.923 -3.146 18 2HB HIS -6 1HB HIS -6 19.974 5.927 -3.564 19 HD1 HIS -6 1HD HIS -6 19.659 4.350 -5.698 20 HD2 HIS -6 2HD HIS -6 16.752 7.268 -5.153 21 HE1 HIS -6 1HE HIS -6 18.466 4.530 -7.903 22 HE2 HIS -6 2HE HIS -6 16.769 6.362 -7.576 23 H HIS -5 H HIS -5 16.902 6.786 -1.892 24 HA HIS -5 HA HIS -5 14.406 5.422 -2.606 25 1HB HIS -5 2HB HIS -5 13.355 6.187 -0.515 26 2HB HIS -5 1HB HIS -5 14.699 5.092 -0.203 27 HD1 HIS -5 1HD HIS -5 13.359 8.254 0.837 28 HD2 HIS -5 2HD HIS -5 17.169 6.635 0.475 29 HE1 HIS -5 1HE HIS -5 14.843 9.701 2.262 30 HE2 HIS -5 2HE HIS -5 17.158 8.756 1.957 31 H HIS -4 H HIS -4 12.895 6.705 -3.526 32 HA HIS -4 HA HIS -4 12.636 9.475 -3.147 33 1HB HIS -4 2HB HIS -4 14.858 9.063 -4.594 34 2HB HIS -4 1HB HIS -4 13.675 9.055 -5.898 35 HD1 HIS -4 1HD HIS -4 14.793 11.295 -3.046 36 HD2 HIS -4 2HD HIS -4 12.933 11.528 -6.754 37 HE1 HIS -4 1HE HIS -4 14.549 13.752 -3.523 38 HE2 HIS -4 2HE HIS -4 13.495 13.868 -5.808 39 H HIS -3 H HIS -3 12.369 6.948 -5.634 40 HA HIS -3 HA HIS -3 9.509 7.213 -5.684 41 1HB HIS -3 2HB HIS -3 10.602 9.034 -7.248 42 2HB HIS -3 1HB HIS -3 10.786 7.672 -8.348 43 HD1 HIS -3 1HD HIS -3 8.880 7.370 -9.884 44 HD2 HIS -3 2HD HIS -3 7.726 9.217 -6.345 45 HE1 HIS -3 1HE HIS -3 6.434 7.882 -10.159 46 HE2 HIS -3 2HE HIS -3 5.777 9.074 -8.039 47 H HIS -2 H HIS -2 12.367 5.952 -7.363 48 HA HIS -2 HA HIS -2 11.025 3.700 -8.469 49 1HB HIS -2 2HB HIS -2 13.395 4.880 -8.984 50 2HB HIS -2 1HB HIS -2 13.948 3.531 -7.998 51 HD1 HIS -2 1HD HIS -2 11.280 1.948 -9.418 52 HD2 HIS -2 2HD HIS -2 14.807 3.397 -11.069 53 HE1 HIS -2 1HE HIS -2 11.594 0.669 -11.560 54 HE2 HIS -2 2HE HIS -2 13.684 1.629 -12.587 55 H HIS -1 H HIS -1 9.975 3.278 -6.264 56 HA HIS -1 HA HIS -1 11.690 1.583 -4.586 57 1HB HIS -1 2HB HIS -1 9.800 3.538 -3.925 58 2HB HIS -1 1HB HIS -1 9.017 2.008 -3.546 59 HD1 HIS -1 1HD HIS -1 11.948 0.732 -2.777 60 HD2 HIS -1 2HD HIS -1 10.068 4.067 -1.163 61 HE1 HIS -1 1HE HIS -1 12.960 1.035 -0.496 62 HE2 HIS -1 2HE HIS -1 11.746 3.008 0.496 63 H MET 0 H MET 0 11.111 -0.528 -4.083 64 HA MET 0 HA MET 0 8.951 -1.673 -5.731 65 1HB MET 0 2HB MET 0 11.587 -2.190 -6.086 66 2HB MET 0 1HB MET 0 11.175 -3.445 -4.926 67 1HG MET 0 2HG MET 0 9.462 -4.296 -6.390 68 2HG MET 0 1HG MET 0 9.736 -2.977 -7.526 69 1HE MET 0 1HE MET 0 9.417 -5.220 -8.709 70 2HE MET 0 2HE MET 0 10.577 -6.549 -8.717 71 3HE MET 0 3HE MET 0 10.767 -5.206 -9.846 72 H GLY 1 H GLY 1 7.330 -2.369 -4.512 73 1HA GLY 1 2HA GLY 1 6.791 -4.210 -2.896 74 2HA GLY 1 1HA GLY 1 7.962 -3.446 -1.832 75 H SER 2 H SER 2 7.346 -0.808 -2.003 76 HA SER 2 HA SER 2 4.952 -0.677 -0.437 77 1HB SER 2 2HB SER 2 7.244 0.822 -0.548 78 2HB SER 2 1HB SER 2 6.087 1.875 -1.362 79 HG SER 2 HG SER 2 4.878 1.970 0.444 80 H ALA 3 H ALA 3 5.933 0.609 -3.602 81 HA ALA 3 HA ALA 3 3.482 1.866 -4.200 82 1HB ALA 3 1HB ALA 3 4.293 2.025 -6.460 83 2HB ALA 3 2HB ALA 3 5.496 0.771 -6.159 84 3HB ALA 3 3HB ALA 3 5.628 2.333 -5.350 85 H GLY 4 H GLY 4 4.612 -1.426 -4.591 86 1HA GLY 4 2HA GLY 4 2.739 -2.376 -6.429 87 2HA GLY 4 1HA GLY 4 3.519 -3.350 -5.194 88 H THR 5 H THR 5 2.317 -1.498 -3.108 89 HA THR 5 HA THR 5 -0.256 -2.887 -2.973 90 HB THR 5 HB THR 5 -0.118 -1.766 -0.571 91 HG1 THR 5 1HG THR 5 1.716 -0.601 -0.760 92 1HG2 THR 5 1HG2 THR 5 0.515 -3.760 0.281 93 2HG2 THR 5 2HG2 THR 5 1.849 -3.952 -0.857 94 3HG2 THR 5 3HG2 THR 5 0.194 -4.273 -1.376 95 H GLN 6 H GLN 6 1.128 0.364 -2.772 96 HA GLN 6 HA GLN 6 -1.269 1.743 -2.271 97 1HB GLN 6 2HB GLN 6 1.376 2.435 -2.466 98 2HB GLN 6 1HB GLN 6 0.701 3.181 -3.907 99 1HG GLN 6 2HG GLN 6 -0.050 4.858 -2.686 100 2HG GLN 6 1HG GLN 6 -1.055 3.741 -1.764 101 1HE2 GLN 6 1HE2 GLN 6 0.539 6.178 -1.041 102 2HE2 GLN 6 2HE2 GLN 6 1.515 5.679 0.296 103 H GLU 7 H GLU 7 0.202 0.594 -5.234 104 HA GLU 7 HA GLU 7 -1.368 2.084 -7.045 105 1HB GLU 7 2HB GLU 7 0.749 0.359 -7.270 106 2HB GLU 7 1HB GLU 7 -0.565 -0.596 -7.943 107 1HG GLU 7 2HG GLU 7 0.167 0.455 -9.821 108 2HG GLU 7 1HG GLU 7 -1.049 1.611 -9.281 109 H GLU 8 H GLU 8 -1.843 -1.048 -5.493 110 HA GLU 8 HA GLU 8 -4.094 -1.866 -6.964 111 1HB GLU 8 2HB GLU 8 -3.383 -2.514 -4.098 112 2HB GLU 8 1HB GLU 8 -4.529 -3.399 -5.096 113 1HG GLU 8 2HG GLU 8 -2.574 -3.786 -6.689 114 2HG GLU 8 1HG GLU 8 -1.549 -3.244 -5.361 115 H LEU 9 H LEU 9 -3.838 -0.082 -3.903 116 HA LEU 9 HA LEU 9 -6.643 0.167 -3.530 117 1HB LEU 9 2HB LEU 9 -4.265 1.592 -2.367 118 2HB LEU 9 1HB LEU 9 -5.904 2.057 -1.955 119 HG LEU 9 HG LEU 9 -5.775 -0.733 -1.581 120 1HD1 LEU 9 1HD1 LEU 9 -3.322 0.701 -0.618 121 2HD1 LEU 9 2HD1 LEU 9 -3.443 -0.832 -1.484 122 3HD1 LEU 9 3HD1 LEU 9 -3.946 -0.729 0.204 123 1HD2 LEU 9 1HD2 LEU 9 -5.909 1.657 0.227 124 2HD2 LEU 9 2HD2 LEU 9 -5.916 0.016 0.867 125 3HD2 LEU 9 3HD2 LEU 9 -7.194 0.537 -0.229 126 H LEU 10 H LEU 10 -4.195 2.154 -5.086 127 HA LEU 10 HA LEU 10 -5.748 4.474 -5.441 128 1HB LEU 10 2HB LEU 10 -3.268 3.359 -6.630 129 2HB LEU 10 1HB LEU 10 -4.088 4.611 -7.545 130 HG LEU 10 HG LEU 10 -3.202 4.916 -4.676 131 1HD1 LEU 10 1HD1 LEU 10 -1.192 4.798 -5.822 132 2HD1 LEU 10 2HD1 LEU 10 -1.545 6.527 -5.830 133 3HD1 LEU 10 3HD1 LEU 10 -1.856 5.555 -7.270 134 1HD2 LEU 10 1HD2 LEU 10 -4.970 6.410 -5.055 135 2HD2 LEU 10 2HD2 LEU 10 -4.429 6.771 -6.694 136 3HD2 LEU 10 3HD2 LEU 10 -3.511 7.366 -5.310 137 H ARG 11 H ARG 11 -5.211 1.671 -7.559 138 HA ARG 11 HA ARG 11 -6.802 2.633 -9.690 139 1HB ARG 11 2HB ARG 11 -6.666 0.412 -10.606 140 2HB ARG 11 1HB ARG 11 -5.105 0.835 -9.920 141 1HG ARG 11 2HG ARG 11 -5.151 -0.881 -8.507 142 2HG ARG 11 1HG ARG 11 -6.804 -0.530 -8.006 143 1HD ARG 11 2HD ARG 11 -7.719 -1.937 -9.546 144 2HD ARG 11 1HD ARG 11 -6.412 -1.695 -10.703 145 HE ARG 11 HE ARG 11 -6.557 -3.691 -8.633 146 1HH1 ARG 11 1HH1 ARG 11 -4.438 -1.884 -10.736 147 2HH1 ARG 11 2HH1 ARG 11 -3.172 -3.062 -10.679 148 1HH2 ARG 11 1HH2 ARG 11 -4.891 -5.241 -8.554 149 2HH2 ARG 11 2HH2 ARG 11 -3.427 -4.968 -9.441 150 H TRP 12 H TRP 12 -7.541 0.843 -6.776 151 HA TRP 12 HA TRP 12 -10.142 0.002 -7.523 152 1HB TRP 12 2HB TRP 12 -8.752 -0.913 -5.616 153 2HB TRP 12 1HB TRP 12 -9.177 0.536 -4.713 154 HD1 TRP 12 HD TRP 12 -10.806 -2.612 -6.220 155 HE1 TRP 12 1HE TRP 12 -13.014 -3.054 -4.971 156 HE3 TRP 12 3HE TRP 12 -10.952 1.592 -3.312 157 HZ2 TRP 12 2HZ TRP 12 -14.605 -1.790 -3.013 158 HZ3 TRP 12 3HZ TRP 12 -12.851 1.899 -1.778 159 HH2 TRP 12 HH TRP 12 -14.639 0.242 -1.633 160 H CYS 13 H CYS 13 -8.989 2.752 -5.590 161 HA CYS 13 HA CYS 13 -11.519 3.868 -5.086 162 1HB CYS 13 2HB CYS 13 -8.723 4.679 -4.776 163 2HB CYS 13 1HB CYS 13 -9.807 6.030 -5.088 164 HG CYS 13 HG CYS 13 -10.725 5.829 -2.818 165 H GLN 14 H GLN 14 -9.144 4.522 -7.641 166 HA GLN 14 HA GLN 14 -10.522 6.621 -8.884 167 1HB GLN 14 2HB GLN 14 -8.141 5.950 -9.305 168 2HB GLN 14 1HB GLN 14 -8.745 4.596 -10.252 169 1HG GLN 14 2HG GLN 14 -10.008 6.946 -11.200 170 2HG GLN 14 1HG GLN 14 -8.280 7.274 -11.064 171 1HE2 GLN 14 1HE2 GLN 14 -10.497 4.758 -12.222 172 2HE2 GLN 14 2HE2 GLN 14 -9.582 4.360 -13.632 173 H GLU 15 H GLU 15 -10.654 3.118 -9.434 174 HA GLU 15 HA GLU 15 -12.424 3.231 -11.637 175 1HB GLU 15 2HB GLU 15 -11.014 1.260 -11.019 176 2HB GLU 15 1HB GLU 15 -12.090 0.971 -9.659 177 1HG GLU 15 2HG GLU 15 -13.207 -0.365 -11.038 178 2HG GLU 15 1HG GLU 15 -13.832 1.116 -11.762 179 H GLN 16 H GLN 16 -12.960 2.748 -8.166 180 HA GLN 16 HA GLN 16 -15.787 2.503 -8.386 181 1HB GLN 16 2HB GLN 16 -13.849 2.865 -6.141 182 2HB GLN 16 1HB GLN 16 -15.556 3.149 -5.834 183 1HG GLN 16 2HG GLN 16 -15.505 0.737 -7.192 184 2HG GLN 16 1HG GLN 16 -14.114 0.663 -6.112 185 1HE2 GLN 16 1HE2 GLN 16 -16.102 -1.086 -5.711 186 2HE2 GLN 16 2HE2 GLN 16 -17.003 -0.683 -4.293 187 H THR 17 H THR 17 -13.591 5.185 -8.086 188 HA THR 17 HA THR 17 -15.709 7.064 -7.448 189 HB THR 17 HB THR 17 -12.785 7.548 -8.041 190 HG1 THR 17 1HG THR 17 -14.203 7.161 -5.627 191 1HG2 THR 17 1HG2 THR 17 -14.955 9.381 -7.631 192 2HG2 THR 17 2HG2 THR 17 -13.268 9.703 -8.028 193 3HG2 THR 17 3HG2 THR 17 -13.759 9.526 -6.344 194 H ALA 18 H ALA 18 -15.063 5.524 -10.179 195 HA ALA 18 HA ALA 18 -14.934 7.758 -12.012 196 1HB ALA 18 1HB ALA 18 -14.085 5.213 -12.219 197 2HB ALA 18 2HB ALA 18 -14.434 6.242 -13.608 198 3HB ALA 18 3HB ALA 18 -15.640 5.086 -13.042 199 H GLY 19 H GLY 19 -16.575 8.557 -13.265 200 1HA GLY 19 2HA GLY 19 -18.860 7.926 -14.204 201 2HA GLY 19 1HA GLY 19 -19.286 7.662 -12.520 202 H TYR 20 H TYR 20 -17.545 10.007 -11.761 203 HA TYR 20 HA TYR 20 -19.614 12.010 -12.089 204 1HB TYR 20 2HB TYR 20 -16.998 12.289 -10.602 205 2HB TYR 20 1HB TYR 20 -18.454 13.259 -10.402 206 HD1 TYR 20 1HD TYR 20 -20.150 12.600 -8.896 207 HD2 TYR 20 2HD TYR 20 -17.047 9.867 -9.894 208 HE1 TYR 20 1HE TYR 20 -20.917 11.089 -7.116 209 HE2 TYR 20 2HE TYR 20 -17.805 8.348 -8.117 210 HH TYR 20 HH TYR 20 -20.761 8.564 -6.652 211 HA PRO 21 HA PRO 21 -17.659 14.176 -15.408 212 1HB PRO 21 2HB PRO 21 -18.647 16.673 -14.995 213 2HB PRO 21 1HB PRO 21 -19.620 15.351 -15.648 214 1HG PRO 21 2HG PRO 21 -19.485 16.399 -12.847 215 2HG PRO 21 1HG PRO 21 -20.906 15.928 -13.798 216 1HD PRO 21 2HD PRO 21 -19.814 14.313 -11.925 217 2HD PRO 21 1HD PRO 21 -20.589 13.680 -13.391 218 H GLY 22 H GLY 22 -15.695 13.736 -13.761 219 1HA GLY 22 2HA GLY 22 -13.789 15.575 -14.020 220 2HA GLY 22 1HA GLY 22 -14.664 16.216 -12.637 221 H VAL 23 H VAL 23 -14.084 12.814 -13.411 222 HA VAL 23 HA VAL 23 -12.934 12.445 -10.769 223 HB VAL 23 HB VAL 23 -13.476 10.366 -12.893 224 1HG1 VAL 23 1HG1 VAL 23 -12.938 10.129 -9.935 225 2HG1 VAL 23 2HG1 VAL 23 -11.871 9.618 -11.244 226 3HG1 VAL 23 3HG1 VAL 23 -13.412 8.798 -10.989 227 1HG2 VAL 23 1HG2 VAL 23 -15.608 10.101 -12.132 228 2HG2 VAL 23 2HG2 VAL 23 -15.418 11.829 -11.833 229 3HG2 VAL 23 3HG2 VAL 23 -15.221 10.678 -10.511 230 H HIS 24 H HIS 24 -10.842 12.507 -10.411 231 HA HIS 24 HA HIS 24 -8.976 11.485 -12.410 232 1HB HIS 24 2HB HIS 24 -9.389 14.169 -12.314 233 2HB HIS 24 1HB HIS 24 -8.100 14.000 -11.126 234 HD1 HIS 24 1HD HIS 24 -7.886 15.357 -14.018 235 HD2 HIS 24 2HD HIS 24 -6.529 11.582 -12.935 236 HE1 HIS 24 1HE HIS 24 -6.080 14.791 -15.673 237 HE2 HIS 24 2HE HIS 24 -5.223 12.534 -14.954 238 H VAL 25 H VAL 25 -9.842 10.359 -9.982 239 HA VAL 25 HA VAL 25 -8.102 10.888 -7.822 240 HB VAL 25 HB VAL 25 -9.482 8.266 -8.397 241 1HG1 VAL 25 1HG1 VAL 25 -9.571 8.572 -5.732 242 2HG1 VAL 25 2HG1 VAL 25 -8.076 9.438 -6.083 243 3HG1 VAL 25 3HG1 VAL 25 -8.254 7.752 -6.570 244 1HG2 VAL 25 1HG2 VAL 25 -11.255 9.285 -6.841 245 2HG2 VAL 25 2HG2 VAL 25 -11.232 9.804 -8.527 246 3HG2 VAL 25 3HG2 VAL 25 -10.541 10.837 -7.276 247 H SER 26 H SER 26 -5.957 10.877 -8.337 248 HA SER 26 HA SER 26 -4.782 8.264 -8.844 249 1HB SER 26 2HB SER 26 -4.334 10.678 -10.602 250 2HB SER 26 1HB SER 26 -3.215 9.316 -10.550 251 HG SER 26 HG SER 26 -5.981 9.080 -11.128 252 H ASP 27 H ASP 27 -4.980 10.375 -6.686 253 HA ASP 27 HA ASP 27 -2.128 10.390 -6.027 254 1HB ASP 27 2HB ASP 27 -3.872 12.796 -5.500 255 2HB ASP 27 1HB ASP 27 -2.124 12.670 -5.340 256 H LEU 28 H LEU 28 -1.672 10.258 -3.814 257 HA LEU 28 HA LEU 28 -3.949 9.383 -2.192 258 1HB LEU 28 2HB LEU 28 -0.988 9.039 -1.712 259 2HB LEU 28 1HB LEU 28 -2.271 8.358 -0.730 260 HG LEU 28 HG LEU 28 -2.800 7.470 -3.335 261 1HD1 LEU 28 1HD1 LEU 28 0.131 7.252 -2.674 262 2HD1 LEU 28 2HD1 LEU 28 -0.585 8.090 -4.050 263 3HD1 LEU 28 3HD1 LEU 28 -0.693 6.335 -3.934 264 1HD2 LEU 28 1HD2 LEU 28 -1.450 6.020 -1.062 265 2HD2 LEU 28 2HD2 LEU 28 -2.312 5.280 -2.411 266 3HD2 LEU 28 3HD2 LEU 28 -3.188 6.258 -1.234 267 H SER 29 H SER 29 -3.672 12.155 -2.595 268 HA SER 29 HA SER 29 -3.731 13.059 0.093 269 1HB SER 29 2HB SER 29 -1.252 13.546 -1.502 270 2HB SER 29 1HB SER 29 -1.825 14.818 -0.424 271 HG SER 29 HG SER 29 -1.801 13.233 1.266 272 H SER 30 H SER 30 -2.563 14.882 -2.713 273 HA SER 30 HA SER 30 -4.352 16.994 -2.403 274 1HB SER 30 2HB SER 30 -2.402 17.376 -3.701 275 2HB SER 30 1HB SER 30 -2.773 16.038 -4.790 276 HG SER 30 HG SER 30 -3.513 18.603 -4.972 277 H SER 31 H SER 31 -4.813 13.907 -3.897 278 HA SER 31 HA SER 31 -6.977 14.606 -5.595 279 1HB SER 31 2HB SER 31 -5.766 12.546 -5.979 280 2HB SER 31 1HB SER 31 -6.197 11.950 -4.377 281 HG SER 31 HG SER 31 -7.940 12.435 -6.561 282 H TRP 32 H TRP 32 -6.737 13.737 -2.215 283 HA TRP 32 HA TRP 32 -9.640 13.605 -1.956 284 1HB TRP 32 2HB TRP 32 -7.555 13.252 0.202 285 2HB TRP 32 1HB TRP 32 -9.256 12.801 0.282 286 HD1 TRP 32 HD TRP 32 -6.174 11.855 -1.896 287 HE1 TRP 32 1HE TRP 32 -6.314 9.334 -2.399 288 HE3 TRP 32 3HE TRP 32 -10.607 10.806 0.428 289 HZ2 TRP 32 2HZ TRP 32 -8.070 7.186 -1.880 290 HZ3 TRP 32 3HZ TRP 32 -11.446 8.493 0.379 291 HH2 TRP 32 HH TRP 32 -10.202 6.722 -0.752 292 H ALA 33 H ALA 33 -7.821 16.110 -2.366 293 HA ALA 33 HA ALA 33 -7.915 17.727 -0.110 294 1HB ALA 33 1HB ALA 33 -8.277 19.531 -2.116 295 2HB ALA 33 2HB ALA 33 -7.625 18.148 -2.995 296 3HB ALA 33 3HB ALA 33 -6.723 18.841 -1.647 297 H ASP 34 H ASP 34 -10.281 17.638 -2.788 298 HA ASP 34 HA ASP 34 -12.172 19.152 -1.195 299 1HB ASP 34 2HB ASP 34 -13.631 18.904 -3.254 300 2HB ASP 34 1HB ASP 34 -12.116 19.768 -3.492 301 H GLY 35 H GLY 35 -11.315 15.993 -1.199 302 1HA GLY 35 2HA GLY 35 -12.313 14.143 -0.274 303 2HA GLY 35 1HA GLY 35 -13.656 15.178 0.189 304 H LEU 36 H LEU 36 -12.494 14.635 -3.097 305 HA LEU 36 HA LEU 36 -15.136 13.991 -3.987 306 1HB LEU 36 2HB LEU 36 -12.611 14.695 -5.174 307 2HB LEU 36 1HB LEU 36 -13.283 13.301 -5.997 308 HG LEU 36 HG LEU 36 -13.912 15.428 -7.066 309 1HD1 LEU 36 1HD1 LEU 36 -15.452 13.261 -6.701 310 2HD1 LEU 36 2HD1 LEU 36 -15.950 14.660 -7.652 311 3HD1 LEU 36 3HD1 LEU 36 -16.490 14.493 -5.982 312 1HD2 LEU 36 1HD2 LEU 36 -15.872 16.547 -5.581 313 2HD2 LEU 36 2HD2 LEU 36 -14.205 17.122 -5.613 314 3HD2 LEU 36 3HD2 LEU 36 -14.747 16.056 -4.316 315 H ALA 37 H ALA 37 -12.202 12.165 -3.324 316 HA ALA 37 HA ALA 37 -13.083 9.715 -4.447 317 1HB ALA 37 1HB ALA 37 -10.784 9.849 -4.186 318 2HB ALA 37 2HB ALA 37 -11.263 8.777 -2.869 319 3HB ALA 37 3HB ALA 37 -10.904 10.473 -2.541 320 H LEU 38 H LEU 38 -13.068 10.950 -1.110 321 HA LEU 38 HA LEU 38 -14.174 8.648 0.075 322 1HB LEU 38 2HB LEU 38 -13.011 10.483 1.288 323 2HB LEU 38 1HB LEU 38 -14.411 11.503 1.021 324 HG LEU 38 HG LEU 38 -15.738 9.676 2.262 325 1HD1 LEU 38 1HD1 LEU 38 -13.812 8.051 2.132 326 2HD1 LEU 38 2HD1 LEU 38 -14.553 8.243 3.720 327 3HD1 LEU 38 3HD1 LEU 38 -13.015 9.030 3.364 328 1HD2 LEU 38 1HD2 LEU 38 -15.440 10.794 4.290 329 2HD2 LEU 38 2HD2 LEU 38 -14.997 11.991 3.073 330 3HD2 LEU 38 3HD2 LEU 38 -13.741 11.130 3.963 331 H CYS 39 H CYS 39 -15.701 11.640 -1.090 332 HA CYS 39 HA CYS 39 -18.335 10.850 -0.361 333 1HB CYS 39 2HB CYS 39 -17.439 12.908 -2.389 334 2HB CYS 39 1HB CYS 39 -19.069 12.745 -1.742 335 HG CYS 39 HG CYS 39 -17.003 14.408 -0.521 336 H ALA 40 H ALA 40 -16.437 10.616 -3.329 337 HA ALA 40 HA ALA 40 -18.438 9.813 -5.092 338 1HB ALA 40 1HB ALA 40 -16.267 10.389 -5.918 339 2HB ALA 40 2HB ALA 40 -16.593 8.713 -6.362 340 3HB ALA 40 3HB ALA 40 -15.518 9.076 -5.013 341 H LEU 41 H LEU 41 -16.526 7.921 -2.801 342 HA LEU 41 HA LEU 41 -17.506 5.387 -3.641 343 1HB LEU 41 2HB LEU 41 -16.223 6.279 -1.060 344 2HB LEU 41 1HB LEU 41 -16.599 4.609 -1.438 345 HG LEU 41 HG LEU 41 -14.716 6.342 -3.038 346 1HD1 LEU 41 1HD1 LEU 41 -13.968 4.067 -1.225 347 2HD1 LEU 41 2HD1 LEU 41 -14.005 5.741 -0.673 348 3HD1 LEU 41 3HD1 LEU 41 -12.917 5.267 -1.976 349 1HD2 LEU 41 1HD2 LEU 41 -14.035 4.090 -3.950 350 2HD2 LEU 41 2HD2 LEU 41 -15.619 4.677 -4.453 351 3HD2 LEU 41 3HD2 LEU 41 -15.494 3.441 -3.202 352 H VAL 42 H VAL 42 -18.276 7.451 -0.839 353 HA VAL 42 HA VAL 42 -20.316 5.855 0.217 354 HB VAL 42 HB VAL 42 -20.238 8.869 0.358 355 1HG1 VAL 42 1HG1 VAL 42 -21.719 6.737 1.742 356 2HG1 VAL 42 2HG1 VAL 42 -22.146 8.426 1.468 357 3HG1 VAL 42 3HG1 VAL 42 -21.050 7.996 2.782 358 1HG2 VAL 42 1HG2 VAL 42 -18.396 8.815 1.606 359 2HG2 VAL 42 2HG2 VAL 42 -18.196 7.128 1.131 360 3HG2 VAL 42 3HG2 VAL 42 -19.050 7.529 2.620 361 H TYR 43 H TYR 43 -20.361 8.311 -2.295 362 HA TYR 43 HA TYR 43 -23.167 8.539 -2.531 363 1HB TYR 43 2HB TYR 43 -21.471 10.157 -3.448 364 2HB TYR 43 1HB TYR 43 -21.127 8.986 -4.715 365 HD1 TYR 43 1HD TYR 43 -23.423 11.523 -3.522 366 HD2 TYR 43 2HD TYR 43 -22.869 8.437 -6.397 367 HE1 TYR 43 1HE TYR 43 -25.267 12.448 -4.862 368 HE2 TYR 43 2HE TYR 43 -24.711 9.352 -7.745 369 HH TYR 43 HH TYR 43 -26.101 12.429 -7.111 370 H ARG 44 H ARG 44 -20.790 6.414 -4.031 371 HA ARG 44 HA ARG 44 -22.469 5.276 -5.979 372 1HB ARG 44 2HB ARG 44 -19.843 5.068 -5.438 373 2HB ARG 44 1HB ARG 44 -20.396 3.557 -4.732 374 1HG ARG 44 2HG ARG 44 -19.838 2.959 -6.895 375 2HG ARG 44 1HG ARG 44 -21.585 3.190 -6.986 376 1HD ARG 44 2HD ARG 44 -19.639 5.384 -7.644 377 2HD ARG 44 1HD ARG 44 -20.174 4.211 -8.847 378 HE ARG 44 HE ARG 44 -21.683 6.407 -7.777 379 1HH1 ARG 44 1HH1 ARG 44 -21.888 3.267 -9.283 380 2HH1 ARG 44 2HH1 ARG 44 -23.472 3.540 -9.926 381 1HH2 ARG 44 1HH2 ARG 44 -23.767 6.769 -8.621 382 2HH2 ARG 44 2HH2 ARG 44 -24.540 5.528 -9.551 383 H LEU 45 H LEU 45 -21.784 4.365 -2.629 384 HA LEU 45 HA LEU 45 -23.534 2.073 -2.737 385 1HB LEU 45 2HB LEU 45 -21.938 3.416 -0.578 386 2HB LEU 45 1HB LEU 45 -23.136 2.200 -0.172 387 HG LEU 45 HG LEU 45 -20.823 1.310 -0.318 388 1HD1 LEU 45 1HD1 LEU 45 -22.750 0.222 -2.366 389 2HD1 LEU 45 2HD1 LEU 45 -22.743 -0.157 -0.643 390 3HD1 LEU 45 3HD1 LEU 45 -21.388 -0.649 -1.660 391 1HD2 LEU 45 1HD2 LEU 45 -19.810 1.030 -2.532 392 2HD2 LEU 45 2HD2 LEU 45 -19.987 2.731 -2.104 393 3HD2 LEU 45 3HD2 LEU 45 -21.110 1.986 -3.242 394 H GLN 46 H GLN 46 -23.658 5.387 -1.605 395 HA GLN 46 HA GLN 46 -26.561 5.164 -1.344 396 1HB GLN 46 2HB GLN 46 -24.746 6.311 0.784 397 2HB GLN 46 1HB GLN 46 -26.496 6.483 0.768 398 1HG GLN 46 2HG GLN 46 -26.787 4.487 1.680 399 2HG GLN 46 1HG GLN 46 -25.715 3.720 0.512 400 1HE2 GLN 46 1HE2 GLN 46 -26.174 4.288 3.698 401 2HE2 GLN 46 2HE2 GLN 46 -24.550 4.133 4.265 402 HA PRO 47 HA PRO 47 -25.438 8.835 -3.857 403 1HB PRO 47 2HB PRO 47 -27.848 8.920 -5.146 404 2HB PRO 47 1HB PRO 47 -26.478 7.945 -5.685 405 1HG PRO 47 2HG PRO 47 -28.886 7.124 -4.112 406 2HG PRO 47 1HG PRO 47 -28.073 6.277 -5.441 407 1HD PRO 47 2HD PRO 47 -27.705 5.580 -2.866 408 2HD PRO 47 1HD PRO 47 -26.402 5.461 -4.067 409 H GLY 48 H GLY 48 -28.688 8.304 -2.519 410 1HA GLY 48 2HA GLY 48 -29.332 11.024 -2.205 411 2HA GLY 48 1HA GLY 48 -30.097 9.693 -1.351 412 H LEU 49 H LEU 49 -27.225 9.020 -0.392 413 HA LEU 49 HA LEU 49 -27.432 10.030 2.176 414 1HB LEU 49 2HB LEU 49 -25.761 8.295 0.879 415 2HB LEU 49 1HB LEU 49 -24.675 9.616 1.258 416 HG LEU 49 HG LEU 49 -26.340 8.072 3.246 417 1HD1 LEU 49 1HD1 LEU 49 -24.659 6.633 3.336 418 2HD1 LEU 49 2HD1 LEU 49 -23.556 7.943 3.754 419 3HD1 LEU 49 3HD1 LEU 49 -23.818 7.517 2.062 420 1HD2 LEU 49 1HD2 LEU 49 -24.918 10.620 3.404 421 2HD2 LEU 49 2HD2 LEU 49 -24.458 9.466 4.654 422 3HD2 LEU 49 3HD2 LEU 49 -26.148 9.937 4.468 423 H LEU 50 H LEU 50 -24.951 11.104 -0.169 424 HA LEU 50 HA LEU 50 -25.288 13.837 0.856 425 1HB LEU 50 2HB LEU 50 -22.556 12.768 0.253 426 2HB LEU 50 1HB LEU 50 -23.004 14.170 1.205 427 HG LEU 50 HG LEU 50 -24.112 12.253 2.724 428 1HD1 LEU 50 1HD1 LEU 50 -23.106 10.217 2.642 429 2HD1 LEU 50 2HD1 LEU 50 -21.599 10.863 1.991 430 3HD1 LEU 50 3HD1 LEU 50 -22.993 10.643 0.934 431 1HD2 LEU 50 1HD2 LEU 50 -21.567 12.238 3.698 432 2HD2 LEU 50 2HD2 LEU 50 -22.756 13.507 3.991 433 3HD2 LEU 50 3HD2 LEU 50 -21.565 13.695 2.704 434 H GLU 51 H GLU 51 -24.467 15.503 -0.556 435 HA GLU 51 HA GLU 51 -24.531 14.683 -3.380 436 1HB GLU 51 2HB GLU 51 -25.054 17.445 -2.283 437 2HB GLU 51 1HB GLU 51 -25.388 16.857 -3.906 438 1HG GLU 51 2HG GLU 51 -26.722 15.264 -1.896 439 2HG GLU 51 1HG GLU 51 -27.153 16.970 -1.776 440 HA PRO 52 HA PRO 52 -20.082 15.784 -2.563 441 1HB PRO 52 2HB PRO 52 -19.379 14.487 -4.951 442 2HB PRO 52 1HB PRO 52 -19.258 13.817 -3.324 443 1HG PRO 52 2HG PRO 52 -21.377 13.435 -5.379 444 2HG PRO 52 1HG PRO 52 -20.746 12.288 -4.184 445 1HD PRO 52 2HD PRO 52 -23.126 13.466 -3.861 446 2HD PRO 52 1HD PRO 52 -22.059 13.156 -2.476 447 H SER 53 H SER 53 -22.110 16.062 -5.425 448 HA SER 53 HA SER 53 -20.506 17.652 -7.026 449 1HB SER 53 2HB SER 53 -23.099 16.715 -7.147 450 2HB SER 53 1HB SER 53 -23.318 18.463 -7.067 451 HG SER 53 HG SER 53 -22.122 16.899 -9.042 452 H GLU 54 H GLU 54 -22.816 18.667 -4.542 453 HA GLU 54 HA GLU 54 -22.271 21.444 -4.842 454 1HB GLU 54 2HB GLU 54 -23.825 19.758 -2.954 455 2HB GLU 54 1HB GLU 54 -23.367 21.367 -2.407 456 1HG GLU 54 2HG GLU 54 -25.010 22.273 -3.571 457 2HG GLU 54 1HG GLU 54 -24.405 21.546 -5.057 458 H LEU 55 H LEU 55 -21.312 19.061 -2.371 459 HA LEU 55 HA LEU 55 -19.688 20.896 -0.926 460 1HB LEU 55 2HB LEU 55 -19.524 17.887 -0.892 461 2HB LEU 55 1HB LEU 55 -18.958 18.991 0.348 462 HG LEU 55 HG LEU 55 -21.847 18.546 -0.412 463 1HD1 LEU 55 1HD1 LEU 55 -22.081 17.193 1.431 464 2HD1 LEU 55 2HD1 LEU 55 -20.650 17.848 2.229 465 3HD1 LEU 55 3HD1 LEU 55 -20.471 16.739 0.870 466 1HD2 LEU 55 1HD2 LEU 55 -21.439 20.823 0.349 467 2HD2 LEU 55 2HD2 LEU 55 -20.615 20.209 1.783 468 3HD2 LEU 55 3HD2 LEU 55 -22.339 19.911 1.561 469 H GLN 56 H GLN 56 -19.189 19.354 -3.872 470 HA GLN 56 HA GLN 56 -16.478 18.679 -3.767 471 1HB GLN 56 2HB GLN 56 -17.732 17.897 -5.616 472 2HB GLN 56 1HB GLN 56 -18.282 19.515 -6.026 473 1HG GLN 56 2HG GLN 56 -16.032 20.116 -6.731 474 2HG GLN 56 1HG GLN 56 -15.455 18.511 -6.285 475 1HE2 GLN 56 1HE2 GLN 56 -18.058 19.966 -8.214 476 2HE2 GLN 56 2HE2 GLN 56 -17.890 18.897 -9.560 477 H GLY 57 H GLY 57 -18.059 21.750 -4.479 478 1HA GLY 57 2HA GLY 57 -15.382 23.004 -4.479 479 2HA GLY 57 1HA GLY 57 -16.738 23.612 -5.418 480 H LEU 58 H LEU 58 -18.446 22.899 -2.932 481 HA LEU 58 HA LEU 58 -18.696 25.463 -1.906 482 1HB LEU 58 2HB LEU 58 -19.771 22.847 -1.338 483 2HB LEU 58 1HB LEU 58 -19.485 23.724 0.152 484 HG LEU 58 HG LEU 58 -20.741 25.655 -1.156 485 1HD1 LEU 58 1HD1 LEU 58 -22.345 24.952 -2.697 486 2HD1 LEU 58 2HD1 LEU 58 -22.132 23.252 -2.282 487 3HD1 LEU 58 3HD1 LEU 58 -20.878 24.103 -3.184 488 1HD2 LEU 58 1HD2 LEU 58 -21.321 24.141 0.952 489 2HD2 LEU 58 2HD2 LEU 58 -22.555 23.538 -0.154 490 3HD2 LEU 58 3HD2 LEU 58 -22.487 25.255 0.242 491 H GLY 59 H GLY 59 -16.577 22.851 -0.942 492 1HA GLY 59 2HA GLY 59 -14.708 24.479 0.315 493 2HA GLY 59 1HA GLY 59 -15.811 23.935 1.571 494 H ALA 60 H ALA 60 -12.889 23.357 0.582 495 HA ALA 60 HA ALA 60 -12.719 20.639 -0.064 496 1HB ALA 60 1HB ALA 60 -10.396 20.782 0.584 497 2HB ALA 60 2HB ALA 60 -10.705 22.268 1.482 498 3HB ALA 60 3HB ALA 60 -10.858 22.251 -0.275 499 H LEU 61 H LEU 61 -11.964 22.087 3.108 500 HA LEU 61 HA LEU 61 -11.997 19.654 4.507 501 1HB LEU 61 2HB LEU 61 -10.927 21.742 5.307 502 2HB LEU 61 1HB LEU 61 -12.517 22.425 5.585 503 HG LEU 61 HG LEU 61 -11.969 19.848 6.927 504 1HD1 LEU 61 1HD1 LEU 61 -10.720 20.920 8.739 505 2HD1 LEU 61 2HD1 LEU 61 -10.639 22.409 7.797 506 3HD1 LEU 61 3HD1 LEU 61 -9.826 20.954 7.220 507 1HD2 LEU 61 1HD2 LEU 61 -13.083 21.140 8.793 508 2HD2 LEU 61 2HD2 LEU 61 -14.060 20.867 7.351 509 3HD2 LEU 61 3HD2 LEU 61 -13.319 22.442 7.629 510 H GLU 62 H GLU 62 -14.520 22.018 3.846 511 HA GLU 62 HA GLU 62 -16.480 21.067 5.598 512 1HB GLU 62 2HB GLU 62 -16.432 22.732 3.155 513 2HB GLU 62 1HB GLU 62 -17.976 21.982 3.534 514 1HG GLU 62 2HG GLU 62 -18.077 24.058 4.570 515 2HG GLU 62 1HG GLU 62 -17.669 22.947 5.877 516 H ALA 63 H ALA 63 -15.781 20.161 2.235 517 HA ALA 63 HA ALA 63 -17.920 18.354 1.928 518 1HB ALA 63 1HB ALA 63 -16.134 19.388 0.231 519 2HB ALA 63 2HB ALA 63 -17.061 17.930 -0.124 520 3HB ALA 63 3HB ALA 63 -15.406 17.800 0.473 521 H THR 64 H THR 64 -14.564 17.877 2.965 522 HA THR 64 HA THR 64 -14.720 15.062 3.192 523 HB THR 64 HB THR 64 -12.853 16.535 4.965 524 HG1 THR 64 1HG THR 64 -12.569 16.617 2.147 525 1HG2 THR 64 1HG2 THR 64 -11.553 14.910 3.054 526 2HG2 THR 64 2HG2 THR 64 -12.939 14.014 3.676 527 3HG2 THR 64 3HG2 THR 64 -11.727 14.648 4.790 528 H ALA 65 H ALA 65 -14.918 17.639 5.644 529 HA ALA 65 HA ALA 65 -15.326 15.983 7.860 530 1HB ALA 65 1HB ALA 65 -16.429 18.764 7.512 531 2HB ALA 65 2HB ALA 65 -14.752 18.408 7.926 532 3HB ALA 65 3HB ALA 65 -16.051 17.941 9.025 533 H TRP 66 H TRP 66 -17.674 17.494 5.668 534 HA TRP 66 HA TRP 66 -19.972 16.601 7.055 535 1HB TRP 66 2HB TRP 66 -19.654 18.403 5.139 536 2HB TRP 66 1HB TRP 66 -20.054 17.037 4.102 537 HD1 TRP 66 HD TRP 66 -21.575 19.228 6.870 538 HE1 TRP 66 1HE TRP 66 -24.137 19.012 6.761 539 HE3 TRP 66 3HE TRP 66 -21.933 15.550 3.337 540 HZ2 TRP 66 2HZ TRP 66 -26.056 17.485 5.364 541 HZ3 TRP 66 3HZ TRP 66 -24.168 14.768 2.672 542 HH2 TRP 66 HH TRP 66 -26.187 15.716 3.665 543 H ALA 67 H ALA 67 -18.036 15.227 4.459 544 HA ALA 67 HA ALA 67 -19.791 13.068 3.882 545 1HB ALA 67 1HB ALA 67 -18.168 12.316 2.405 546 2HB ALA 67 2HB ALA 67 -16.844 12.972 3.369 547 3HB ALA 67 3HB ALA 67 -17.888 14.057 2.451 548 H LEU 68 H LEU 68 -16.923 13.397 5.935 549 HA LEU 68 HA LEU 68 -16.785 10.666 6.673 550 1HB LEU 68 2HB LEU 68 -15.703 13.138 8.019 551 2HB LEU 68 1HB LEU 68 -15.318 11.499 8.512 552 HG LEU 68 HG LEU 68 -14.792 12.350 5.692 553 1HD1 LEU 68 1HD1 LEU 68 -12.387 12.747 6.789 554 2HD1 LEU 68 2HD1 LEU 68 -13.403 13.296 8.121 555 3HD1 LEU 68 3HD1 LEU 68 -13.552 14.044 6.531 556 1HD2 LEU 68 1HD2 LEU 68 -14.576 9.990 6.321 557 2HD2 LEU 68 2HD2 LEU 68 -13.410 10.435 7.568 558 3HD2 LEU 68 3HD2 LEU 68 -13.022 10.691 5.867 559 H LYS 69 H LYS 69 -18.266 13.497 8.226 560 HA LYS 69 HA LYS 69 -19.061 12.116 10.572 561 1HB LYS 69 2HB LYS 69 -18.983 14.739 9.807 562 2HB LYS 69 1HB LYS 69 -20.712 14.416 9.777 563 1HG LYS 69 2HG LYS 69 -20.227 13.365 12.135 564 2HG LYS 69 1HG LYS 69 -18.822 14.431 12.072 565 1HD LYS 69 2HD LYS 69 -20.547 16.247 11.392 566 2HD LYS 69 1HD LYS 69 -21.733 15.132 12.074 567 1HE LYS 69 2HE LYS 69 -21.243 16.399 13.920 568 2HE LYS 69 1HE LYS 69 -20.067 15.097 14.100 569 1HZ LYS 69 1HZ LYS 69 -18.677 16.812 12.621 570 2HZ LYS 69 2HZ LYS 69 -18.653 16.817 14.313 571 3HZ LYS 69 3HZ LYS 69 -19.647 17.902 13.478 572 H VAL 70 H VAL 70 -20.851 13.040 7.632 573 HA VAL 70 HA VAL 70 -23.290 11.843 8.460 574 HB VAL 70 HB VAL 70 -22.398 12.431 5.634 575 1HG1 VAL 70 1HG1 VAL 70 -24.595 11.038 6.441 576 2HG1 VAL 70 2HG1 VAL 70 -24.478 11.955 4.938 577 3HG1 VAL 70 3HG1 VAL 70 -25.226 12.684 6.360 578 1HG2 VAL 70 1HG2 VAL 70 -23.137 14.613 5.848 579 2HG2 VAL 70 2HG2 VAL 70 -22.356 14.330 7.404 580 3HG2 VAL 70 3HG2 VAL 70 -24.112 14.252 7.272 581 H ALA 71 H ALA 71 -20.649 10.720 6.359 582 HA ALA 71 HA ALA 71 -21.785 8.326 5.508 583 1HB ALA 71 1HB ALA 71 -19.751 9.043 4.504 584 2HB ALA 71 2HB ALA 71 -19.408 7.515 5.316 585 3HB ALA 71 3HB ALA 71 -18.908 9.038 6.053 586 H GLU 72 H GLU 72 -20.078 9.137 8.467 587 HA GLU 72 HA GLU 72 -20.025 6.502 9.531 588 1HB GLU 72 2HB GLU 72 -18.455 8.139 10.351 589 2HB GLU 72 1HB GLU 72 -19.757 9.217 10.832 590 1HG GLU 72 2HG GLU 72 -20.175 6.744 12.138 591 2HG GLU 72 1HG GLU 72 -18.478 7.173 12.336 592 H ASN 73 H ASN 73 -22.253 9.219 9.731 593 HA ASN 73 HA ASN 73 -23.902 8.040 11.742 594 1HB ASN 73 2HB ASN 73 -23.730 10.544 10.381 595 2HB ASN 73 1HB ASN 73 -25.386 9.958 10.269 596 1HD2 ASN 73 1HD2 ASN 73 -22.801 10.829 12.459 597 2HD2 ASN 73 2HD2 ASN 73 -23.804 11.097 13.840 598 H GLU 74 H GLU 74 -24.101 8.290 8.214 599 HA GLU 74 HA GLU 74 -26.626 6.903 8.124 600 1HB GLU 74 2HB GLU 74 -24.987 8.419 6.294 601 2HB GLU 74 1HB GLU 74 -25.527 6.922 5.548 602 1HG GLU 74 2HG GLU 74 -27.225 8.357 4.995 603 2HG GLU 74 1HG GLU 74 -27.855 7.612 6.463 604 H LEU 75 H LEU 75 -23.255 6.128 7.354 605 HA LEU 75 HA LEU 75 -23.966 3.423 6.593 606 1HB LEU 75 2HB LEU 75 -21.985 5.085 5.792 607 2HB LEU 75 1HB LEU 75 -21.124 4.116 6.973 608 HG LEU 75 HG LEU 75 -22.740 2.776 4.836 609 1HD1 LEU 75 1HD1 LEU 75 -19.962 3.902 4.547 610 2HD1 LEU 75 2HD1 LEU 75 -21.383 4.290 3.578 611 3HD1 LEU 75 3HD1 LEU 75 -20.655 2.686 3.475 612 1HD2 LEU 75 1HD2 LEU 75 -21.159 0.985 5.179 613 2HD2 LEU 75 2HD2 LEU 75 -21.834 1.478 6.731 614 3HD2 LEU 75 3HD2 LEU 75 -20.210 1.989 6.275 615 H GLY 76 H GLY 76 -22.625 5.091 9.359 616 1HA GLY 76 2HA GLY 76 -22.575 4.281 11.551 617 2HA GLY 76 1HA GLY 76 -22.937 2.674 10.940 618 H ILE 77 H ILE 77 -20.343 4.554 9.581 619 HA ILE 77 HA ILE 77 -18.431 2.653 10.760 620 HB ILE 77 HB ILE 77 -18.552 2.630 8.299 621 1HG1 ILE 77 2HG1 ILE 77 -15.950 3.775 9.339 622 2HG1 ILE 77 1HG1 ILE 77 -16.440 2.089 9.482 623 1HG2 ILE 77 1HG2 ILE 77 -18.406 4.448 6.980 624 2HG2 ILE 77 2HG2 ILE 77 -17.202 5.226 8.007 625 3HG2 ILE 77 3HG2 ILE 77 -18.910 5.301 8.439 626 1HD1 ILE 77 1HD1 ILE 77 -15.882 1.624 7.366 627 2HD1 ILE 77 2HD1 ILE 77 -14.897 3.081 7.501 628 3HD1 ILE 77 3HD1 ILE 77 -16.493 3.161 6.755 629 H THR 78 H THR 78 -16.982 3.368 12.178 630 HA THR 78 HA THR 78 -16.923 6.117 12.948 631 HB THR 78 HB THR 78 -14.860 4.148 13.853 632 HG1 THR 78 1HG THR 78 -16.418 3.331 15.329 633 1HG2 THR 78 1HG2 THR 78 -16.021 6.612 14.856 634 2HG2 THR 78 2HG2 THR 78 -14.502 5.816 15.271 635 3HG2 THR 78 3HG2 THR 78 -16.002 5.313 16.049 636 HA PRO 79 HA PRO 79 -13.823 7.617 10.143 637 1HB PRO 79 2HB PRO 79 -13.081 9.420 12.381 638 2HB PRO 79 1HB PRO 79 -13.547 9.816 10.724 639 1HG PRO 79 2HG PRO 79 -15.227 10.229 12.753 640 2HG PRO 79 1HG PRO 79 -15.811 9.654 11.180 641 1HD PRO 79 2HD PRO 79 -15.383 8.130 13.716 642 2HD PRO 79 1HD PRO 79 -16.678 7.977 12.511 643 H VAL 80 H VAL 80 -11.530 7.752 9.921 644 HA VAL 80 HA VAL 80 -10.053 6.297 12.019 645 HB VAL 80 HB VAL 80 -9.423 6.246 9.068 646 1HG1 VAL 80 1HG1 VAL 80 -8.340 4.803 11.468 647 2HG1 VAL 80 2HG1 VAL 80 -7.468 5.757 10.269 648 3HG1 VAL 80 3HG1 VAL 80 -8.131 4.184 9.829 649 1HG2 VAL 80 1HG2 VAL 80 -10.309 3.903 9.172 650 2HG2 VAL 80 2HG2 VAL 80 -11.534 5.164 9.319 651 3HG2 VAL 80 3HG2 VAL 80 -10.984 4.297 10.752 652 H VAL 81 H VAL 81 -10.115 9.032 9.874 653 HA VAL 81 HA VAL 81 -7.780 10.122 11.244 654 HB VAL 81 HB VAL 81 -6.878 9.116 9.195 655 1HG1 VAL 81 1HG1 VAL 81 -9.221 9.760 8.018 656 2HG1 VAL 81 2HG1 VAL 81 -7.747 9.370 7.131 657 3HG1 VAL 81 3HG1 VAL 81 -8.189 11.055 7.409 658 1HG2 VAL 81 1HG2 VAL 81 -6.912 12.123 8.980 659 2HG2 VAL 81 2HG2 VAL 81 -5.658 11.025 8.404 660 3HG2 VAL 81 3HG2 VAL 81 -5.933 11.219 10.136 661 H SER 82 H SER 82 -7.564 12.455 10.972 662 HA SER 82 HA SER 82 -10.133 13.741 11.016 663 1HB SER 82 2HB SER 82 -7.310 14.757 11.371 664 2HB SER 82 1HB SER 82 -8.719 15.817 11.421 665 HG SER 82 HG SER 82 -7.727 14.374 13.384 666 H ALA 83 H ALA 83 -10.902 15.334 9.635 667 HA ALA 83 HA ALA 83 -10.414 14.998 6.903 668 1HB ALA 83 1HB ALA 83 -11.716 17.157 6.673 669 2HB ALA 83 2HB ALA 83 -11.786 17.192 8.435 670 3HB ALA 83 3HB ALA 83 -12.516 15.853 7.550 671 H GLN 84 H GLN 84 -9.263 17.486 9.154 672 HA GLN 84 HA GLN 84 -7.999 19.174 7.353 673 1HB GLN 84 2HB GLN 84 -8.302 19.706 9.730 674 2HB GLN 84 1HB GLN 84 -7.130 18.470 10.163 675 1HG GLN 84 2HG GLN 84 -5.558 19.853 8.587 676 2HG GLN 84 1HG GLN 84 -6.702 21.146 8.939 677 1HE2 GLN 84 1HE2 GLN 84 -4.330 21.729 9.743 678 2HE2 GLN 84 2HE2 GLN 84 -4.107 21.501 11.441 679 H ALA 85 H ALA 85 -6.851 16.174 8.803 680 HA ALA 85 HA ALA 85 -4.182 16.368 7.860 681 1HB ALA 85 1HB ALA 85 -5.854 14.318 9.148 682 2HB ALA 85 2HB ALA 85 -4.196 14.812 9.488 683 3HB ALA 85 3HB ALA 85 -4.530 13.706 8.156 684 H VAL 86 H VAL 86 -7.112 14.862 6.574 685 HA VAL 86 HA VAL 86 -5.878 13.594 4.367 686 HB VAL 86 HB VAL 86 -8.743 14.528 4.516 687 1HG1 VAL 86 1HG1 VAL 86 -7.875 13.744 2.314 688 2HG1 VAL 86 2HG1 VAL 86 -9.202 12.774 2.954 689 3HG1 VAL 86 3HG1 VAL 86 -7.546 12.179 3.057 690 1HG2 VAL 86 1HG2 VAL 86 -8.674 13.279 6.430 691 2HG2 VAL 86 2HG2 VAL 86 -7.339 12.276 5.859 692 3HG2 VAL 86 3HG2 VAL 86 -8.971 12.002 5.251 693 H VAL 87 H VAL 87 -7.645 16.673 4.646 694 HA VAL 87 HA VAL 87 -7.424 17.435 1.957 695 HB VAL 87 HB VAL 87 -8.968 18.522 3.528 696 1HG1 VAL 87 1HG1 VAL 87 -8.153 20.189 5.121 697 2HG1 VAL 87 2HG1 VAL 87 -6.490 19.772 4.707 698 3HG1 VAL 87 3HG1 VAL 87 -7.526 18.581 5.491 699 1HG2 VAL 87 1HG2 VAL 87 -8.744 20.758 2.700 700 2HG2 VAL 87 2HG2 VAL 87 -8.219 19.649 1.434 701 3HG2 VAL 87 3HG2 VAL 87 -7.024 20.524 2.390 702 H ALA 88 H ALA 88 -5.234 17.813 4.674 703 HA ALA 88 HA ALA 88 -3.423 19.518 3.197 704 1HB ALA 88 1HB ALA 88 -3.924 19.282 5.830 705 2HB ALA 88 2HB ALA 88 -2.428 19.947 5.173 706 3HB ALA 88 3HB ALA 88 -2.492 18.263 5.695 707 H GLY 89 H GLY 89 -3.961 16.174 3.450 708 1HA GLY 89 2HA GLY 89 -2.802 14.352 2.682 709 2HA GLY 89 1HA GLY 89 -1.932 15.484 1.660 710 H SER 90 H SER 90 -1.859 15.789 5.125 711 HA SER 90 HA SER 90 0.990 15.071 5.068 712 1HB SER 90 2HB SER 90 -0.605 16.790 6.978 713 2HB SER 90 1HB SER 90 1.078 16.337 7.248 714 HG SER 90 HG SER 90 1.485 18.041 6.090 715 H ASP 91 H ASP 91 -1.157 13.105 5.205 716 HA ASP 91 HA ASP 91 -0.159 11.589 7.432 717 1HB ASP 91 2HB ASP 91 -2.805 12.908 7.551 718 2HB ASP 91 1HB ASP 91 -2.775 11.213 8.027 719 HA PRO 92 HA PRO 92 -1.446 9.266 3.569 720 1HB PRO 92 2HB PRO 92 0.831 7.726 3.560 721 2HB PRO 92 1HB PRO 92 0.659 9.250 2.683 722 1HG PRO 92 2HG PRO 92 1.946 8.722 5.331 723 2HG PRO 92 1HG PRO 92 2.493 9.769 4.008 724 1HD PRO 92 2HD PRO 92 1.298 10.768 6.196 725 2HD PRO 92 1HD PRO 92 1.034 11.472 4.589 726 H LEU 93 H LEU 93 0.169 8.094 6.510 727 HA LEU 93 HA LEU 93 -0.687 5.441 6.398 728 1HB LEU 93 2HB LEU 93 0.941 6.759 8.029 729 2HB LEU 93 1HB LEU 93 -0.490 6.789 9.043 730 HG LEU 93 HG LEU 93 0.266 4.155 7.920 731 1HD1 LEU 93 1HD1 LEU 93 2.435 5.188 8.574 732 2HD1 LEU 93 2HD1 LEU 93 2.007 3.755 9.509 733 3HD1 LEU 93 3HD1 LEU 93 1.803 5.361 10.212 734 1HD2 LEU 93 1HD2 LEU 93 -1.666 4.397 9.374 735 2HD2 LEU 93 2HD2 LEU 93 -0.654 5.113 10.628 736 3HD2 LEU 93 3HD2 LEU 93 -0.420 3.429 10.162 737 H GLY 94 H GLY 94 -2.298 8.323 7.612 738 1HA GLY 94 2HA GLY 94 -4.470 6.918 8.832 739 2HA GLY 94 1HA GLY 94 -4.408 8.639 8.486 740 H LEU 95 H LEU 95 -3.995 8.473 5.691 741 HA LEU 95 HA LEU 95 -6.641 8.293 4.784 742 1HB LEU 95 2HB LEU 95 -4.329 9.331 3.797 743 2HB LEU 95 1HB LEU 95 -4.536 7.936 2.757 744 HG LEU 95 HG LEU 95 -6.743 9.933 3.176 745 1HD1 LEU 95 1HD1 LEU 95 -4.376 10.712 2.172 746 2HD1 LEU 95 2HD1 LEU 95 -5.925 11.359 1.635 747 3HD1 LEU 95 3HD1 LEU 95 -5.135 10.082 0.712 748 1HD2 LEU 95 1HD2 LEU 95 -7.345 7.750 2.242 749 2HD2 LEU 95 2HD2 LEU 95 -6.153 7.975 0.962 750 3HD2 LEU 95 3HD2 LEU 95 -7.550 9.045 1.062 751 H ILE 96 H ILE 96 -3.933 6.024 4.510 752 HA ILE 96 HA ILE 96 -5.297 4.125 2.912 753 HB ILE 96 HB ILE 96 -2.990 3.635 4.799 754 1HG1 ILE 96 2HG1 ILE 96 -2.548 5.440 3.151 755 2HG1 ILE 96 1HG1 ILE 96 -1.535 4.022 2.894 756 1HG2 ILE 96 1HG2 ILE 96 -3.878 2.085 2.369 757 2HG2 ILE 96 2HG2 ILE 96 -4.157 1.602 4.042 758 3HG2 ILE 96 3HG2 ILE 96 -2.511 1.705 3.416 759 1HD1 ILE 96 1HD1 ILE 96 -2.287 4.839 0.779 760 2HD1 ILE 96 2HD1 ILE 96 -3.966 4.821 1.317 761 3HD1 ILE 96 3HD1 ILE 96 -3.092 3.304 1.107 762 H ALA 97 H ALA 97 -4.865 4.478 6.404 763 HA ALA 97 HA ALA 97 -5.989 2.053 7.212 764 1HB ALA 97 1HB ALA 97 -6.216 4.649 8.721 765 2HB ALA 97 2HB ALA 97 -4.738 3.690 8.651 766 3HB ALA 97 3HB ALA 97 -6.196 3.012 9.380 767 H TYR 98 H TYR 98 -7.493 5.148 6.434 768 HA TYR 98 HA TYR 98 -10.112 4.427 7.262 769 1HB TYR 98 2HB TYR 98 -9.219 6.778 6.891 770 2HB TYR 98 1HB TYR 98 -9.419 6.485 5.166 771 HD1 TYR 98 1HD TYR 98 -11.837 5.605 4.494 772 HD2 TYR 98 2HD TYR 98 -10.945 7.805 8.024 773 HE1 TYR 98 1HE TYR 98 -14.190 6.303 4.647 774 HE2 TYR 98 2HE TYR 98 -13.296 8.507 8.188 775 HH TYR 98 HH TYR 98 -15.512 7.718 7.416 776 H LEU 99 H LEU 99 -8.429 4.348 4.151 777 HA LEU 99 HA LEU 99 -10.624 3.567 2.578 778 1HB LEU 99 2HB LEU 99 -7.893 4.082 2.184 779 2HB LEU 99 1HB LEU 99 -8.143 2.441 1.619 780 HG LEU 99 HG LEU 99 -9.944 4.657 0.701 781 1HD1 LEU 99 1HD1 LEU 99 -7.286 4.900 0.357 782 2HD1 LEU 99 2HD1 LEU 99 -8.482 5.464 -0.810 783 3HD1 LEU 99 3HD1 LEU 99 -7.691 3.904 -1.040 784 1HD2 LEU 99 1HD2 LEU 99 -9.378 1.853 -0.024 785 2HD2 LEU 99 2HD2 LEU 99 -9.646 2.967 -1.365 786 3HD2 LEU 99 3HD2 LEU 99 -10.880 2.772 -0.119 787 H SER 100 H SER 100 -8.358 1.738 4.535 788 HA SER 100 HA SER 100 -8.898 -0.831 3.566 789 1HB SER 100 2HB SER 100 -7.931 0.215 6.215 790 2HB SER 100 1HB SER 100 -8.238 -1.507 5.988 791 HG SER 100 HG SER 100 -6.621 -1.626 4.553 792 H HIS 101 H HIS 101 -10.514 1.091 6.053 793 HA HIS 101 HA HIS 101 -12.307 -0.960 6.865 794 1HB HIS 101 2HB HIS 101 -11.702 1.696 7.656 795 2HB HIS 101 1HB HIS 101 -13.429 1.641 7.319 796 HD1 HIS 101 1HD HIS 101 -13.594 -1.449 8.322 797 HD2 HIS 101 2HD HIS 101 -12.165 1.840 10.419 798 HE1 HIS 101 1HE HIS 101 -13.799 -2.061 10.752 799 HE2 HIS 101 2HE HIS 101 -13.006 -0.023 12.003 800 H PHE 102 H PHE 102 -12.590 1.782 4.633 801 HA PHE 102 HA PHE 102 -15.302 1.309 3.959 802 1HB PHE 102 2HB PHE 102 -13.236 3.176 3.233 803 2HB PHE 102 1HB PHE 102 -14.046 2.597 1.781 804 HD1 PHE 102 1HD PHE 102 -15.974 3.645 1.092 805 HD2 PHE 102 2HD PHE 102 -14.828 3.902 5.182 806 HE1 PHE 102 1HE PHE 102 -17.838 5.195 1.513 807 HE2 PHE 102 2HE PHE 102 -16.690 5.453 5.610 808 HZ PHE 102 HZ PHE 102 -18.199 6.102 3.774 809 H HIS 103 H HIS 103 -12.234 0.332 2.496 810 HA HIS 103 HA HIS 103 -13.340 -0.884 0.199 811 1HB HIS 103 2HB HIS 103 -10.941 -0.243 0.467 812 2HB HIS 103 1HB HIS 103 -10.744 -1.588 1.585 813 HD1 HIS 103 1HD HIS 103 -8.907 -2.290 -0.298 814 HD2 HIS 103 2HD HIS 103 -12.910 -2.633 -1.355 815 HE1 HIS 103 1HE HIS 103 -8.944 -3.813 -2.297 816 HE2 HIS 103 2HE HIS 103 -11.385 -4.076 -2.865 817 H SER 104 H SER 104 -12.449 -2.164 3.381 818 HA SER 104 HA SER 104 -13.027 -4.868 2.805 819 1HB SER 104 2HB SER 104 -12.560 -3.258 5.262 820 2HB SER 104 1HB SER 104 -13.383 -4.805 5.463 821 HG SER 104 HG SER 104 -11.396 -5.524 5.461 822 H ALA 105 H ALA 105 -14.981 -2.215 4.058 823 HA ALA 105 HA ALA 105 -17.266 -3.832 4.629 824 1HB ALA 105 1HB ALA 105 -16.873 -1.719 5.790 825 2HB ALA 105 2HB ALA 105 -18.432 -1.713 4.964 826 3HB ALA 105 3HB ALA 105 -17.062 -0.844 4.270 827 H PHE 106 H PHE 106 -16.210 -1.874 1.898 828 HA PHE 106 HA PHE 106 -18.630 -1.951 0.448 829 1HB PHE 106 2HB PHE 106 -15.773 -1.381 -0.240 830 2HB PHE 106 1HB PHE 106 -16.945 -1.583 -1.537 831 HD1 PHE 106 1HD PHE 106 -17.607 -0.051 1.764 832 HD2 PHE 106 2HD PHE 106 -16.976 0.600 -2.393 833 HE1 PHE 106 1HE PHE 106 -18.301 2.295 2.029 834 HE2 PHE 106 2HE PHE 106 -17.671 2.946 -2.137 835 HZ PHE 106 HZ PHE 106 -18.334 3.797 0.078 836 H LYS 107 H LYS 107 -15.929 -4.161 0.709 837 HA LYS 107 HA LYS 107 -16.472 -5.757 -1.545 838 1HB LYS 107 2HB LYS 107 -14.888 -6.037 0.942 839 2HB LYS 107 1HB LYS 107 -15.343 -7.536 0.142 840 1HG LYS 107 2HG LYS 107 -14.195 -6.943 -1.834 841 2HG LYS 107 1HG LYS 107 -13.993 -5.273 -1.300 842 1HD LYS 107 2HD LYS 107 -12.308 -5.808 0.178 843 2HD LYS 107 1HD LYS 107 -12.852 -7.478 0.354 844 1HE LYS 107 2HE LYS 107 -11.898 -8.126 -1.677 845 2HE LYS 107 1HE LYS 107 -11.772 -6.464 -2.252 846 1HZ LYS 107 1HZ LYS 107 -9.620 -7.355 -1.606 847 2HZ LYS 107 2HZ LYS 107 -10.183 -7.646 -0.038 848 3HZ LYS 107 3HZ LYS 107 -10.053 -6.059 -0.609 849 H SER 108 H SER 108 -17.846 -5.676 1.663 850 HA SER 108 HA SER 108 -19.064 -8.196 1.718 851 1HB SER 108 2HB SER 108 -20.343 -5.759 2.935 852 2HB SER 108 1HB SER 108 -20.310 -7.412 3.548 853 HG SER 108 HG SER 108 -18.651 -5.438 4.119 854 H MET 109 H MET 109 -20.211 -5.099 0.444 855 HA MET 109 HA MET 109 -22.732 -6.225 -0.398 856 1HB MET 109 2HB MET 109 -21.446 -3.526 -0.577 857 2HB MET 109 1HB MET 109 -22.837 -3.895 -1.588 858 1HG MET 109 2HG MET 109 -24.194 -3.451 0.093 859 2HG MET 109 1HG MET 109 -23.440 -4.720 1.053 860 1HE MET 109 1HE MET 109 -23.404 -2.904 3.813 861 2HE MET 109 2HE MET 109 -21.729 -3.431 3.651 862 3HE MET 109 3HE MET 109 -23.034 -4.432 3.014 Start of MODEL 3 1 1H MET -8 1HT MET -8 12.209 14.118 -21.770 2 2H MET -8 2HT MET -8 12.565 13.514 -20.203 3 3H MET -8 3HT MET -8 11.503 14.848 -20.389 4 HA MET -8 HA MET -8 10.101 13.123 -20.006 5 1HB MET -8 2HB MET -8 8.933 12.841 -22.106 6 2HB MET -8 1HB MET -8 9.583 14.472 -22.026 7 1HG MET -8 2HG MET -8 11.579 13.002 -23.267 8 2HG MET -8 1HG MET -8 10.081 12.368 -23.944 9 1HE MET -8 1HE MET -8 12.286 16.084 -24.878 10 2HE MET -8 2HE MET -8 12.592 14.907 -23.601 11 3HE MET -8 3HE MET -8 11.573 16.310 -23.281 12 H GLY -7 H GLY -7 10.026 11.035 -19.486 13 1HA GLY -7 2HA GLY -7 10.296 8.773 -20.767 14 2HA GLY -7 1HA GLY -7 11.991 9.229 -20.702 15 H HIS -6 H HIS -6 9.213 8.214 -18.843 16 HA HIS -6 HA HIS -6 11.003 7.659 -16.568 17 1HB HIS -6 2HB HIS -6 8.045 8.287 -16.559 18 2HB HIS -6 1HB HIS -6 8.953 7.770 -15.144 19 HD1 HIS -6 1HD HIS -6 7.479 10.598 -15.648 20 HD2 HIS -6 2HD HIS -6 11.560 9.823 -15.767 21 HE1 HIS -6 1HE HIS -6 8.596 12.808 -15.206 22 HE2 HIS -6 2HE HIS -6 11.063 12.331 -15.378 23 H HIS -5 H HIS -5 11.563 5.620 -17.458 24 HA HIS -5 HA HIS -5 9.417 3.614 -17.222 25 1HB HIS -5 2HB HIS -5 10.968 4.219 -19.502 26 2HB HIS -5 1HB HIS -5 11.574 2.683 -18.894 27 HD1 HIS -5 1HD HIS -5 10.496 1.865 -21.261 28 HD2 HIS -5 2HD HIS -5 7.841 2.946 -18.252 29 HE1 HIS -5 1HE HIS -5 8.289 0.857 -21.919 30 HE2 HIS -5 2HE HIS -5 6.678 1.597 -20.129 31 H HIS -4 H HIS -4 9.760 2.580 -15.362 32 HA HIS -4 HA HIS -4 12.338 1.309 -14.927 33 1HB HIS -4 2HB HIS -4 11.225 3.471 -13.214 34 2HB HIS -4 1HB HIS -4 11.981 2.106 -12.400 35 HD1 HIS -4 1HD HIS -4 14.265 1.680 -14.538 36 HD2 HIS -4 2HD HIS -4 13.242 5.289 -12.752 37 HE1 HIS -4 1HE HIS -4 16.322 3.118 -14.701 38 HE2 HIS -4 2HE HIS -4 15.705 5.266 -13.537 39 H HIS -3 H HIS -3 11.121 -0.585 -15.397 40 HA HIS -3 HA HIS -3 9.145 -1.344 -13.360 41 1HB HIS -3 2HB HIS -3 9.424 -1.879 -16.219 42 2HB HIS -3 1HB HIS -3 9.117 -3.337 -15.282 43 HD1 HIS -3 1HD HIS -3 7.346 -0.858 -17.048 44 HD2 HIS -3 2HD HIS -3 6.772 -2.747 -13.392 45 HE1 HIS -3 1HE HIS -3 4.910 -0.546 -16.504 46 HE2 HIS -3 2HE HIS -3 4.568 -1.772 -14.332 47 H HIS -2 H HIS -2 11.113 -1.584 -11.944 48 HA HIS -2 HA HIS -2 11.888 -4.382 -11.934 49 1HB HIS -2 2HB HIS -2 13.624 -2.864 -13.203 50 2HB HIS -2 1HB HIS -2 14.106 -2.405 -11.574 51 HD1 HIS -2 1HD HIS -2 13.119 -5.769 -11.229 52 HD2 HIS -2 2HD HIS -2 16.453 -3.903 -12.861 53 HE1 HIS -2 1HE HIS -2 14.914 -7.529 -11.282 54 HE2 HIS -2 2HE HIS -2 16.947 -6.353 -12.195 55 H HIS -1 H HIS -1 11.758 -5.149 -9.928 56 HA HIS -1 HA HIS -1 11.621 -5.267 -7.662 57 1HB HIS -1 2HB HIS -1 13.910 -3.975 -8.067 58 2HB HIS -1 1HB HIS -1 13.026 -2.663 -7.294 59 HD1 HIS -1 1HD HIS -1 13.247 -6.379 -6.472 60 HD2 HIS -1 2HD HIS -1 13.785 -2.657 -4.706 61 HE1 HIS -1 1HE HIS -1 13.823 -6.852 -4.071 62 HE2 HIS -1 2HE HIS -1 14.233 -4.589 -3.045 63 H MET 0 H MET 0 9.441 -4.992 -7.399 64 HA MET 0 HA MET 0 8.585 -2.293 -6.603 65 1HB MET 0 2HB MET 0 7.773 -3.358 -8.937 66 2HB MET 0 1HB MET 0 6.562 -4.054 -7.870 67 1HG MET 0 2HG MET 0 6.214 -1.660 -7.027 68 2HG MET 0 1HG MET 0 7.103 -1.172 -8.470 69 1HE MET 0 1HE MET 0 6.496 -2.323 -10.815 70 2HE MET 0 2HE MET 0 5.814 -0.698 -10.759 71 3HE MET 0 3HE MET 0 4.853 -2.036 -11.387 72 H GLY 1 H GLY 1 8.237 -2.426 -4.479 73 1HA GLY 1 2HA GLY 1 6.620 -4.694 -3.499 74 2HA GLY 1 1HA GLY 1 8.041 -4.145 -2.622 75 H SER 2 H SER 2 7.986 -1.706 -2.121 76 HA SER 2 HA SER 2 5.800 -1.212 -0.432 77 1HB SER 2 2HB SER 2 8.075 0.467 -1.439 78 2HB SER 2 1HB SER 2 6.785 1.206 -0.490 79 HG SER 2 HG SER 2 8.381 0.534 0.912 80 H ALA 3 H ALA 3 6.715 0.511 -3.421 81 HA ALA 3 HA ALA 3 4.341 2.007 -3.606 82 1HB ALA 3 1HB ALA 3 6.622 1.410 -5.387 83 2HB ALA 3 2HB ALA 3 5.906 2.958 -4.935 84 3HB ALA 3 3HB ALA 3 5.137 1.955 -6.164 85 H GLY 4 H GLY 4 5.165 -1.220 -4.656 86 1HA GLY 4 2HA GLY 4 3.162 -1.659 -6.552 87 2HA GLY 4 1HA GLY 4 3.895 -2.906 -5.554 88 H THR 5 H THR 5 2.965 -1.511 -3.079 89 HA THR 5 HA THR 5 0.367 -2.772 -2.975 90 HB THR 5 HB THR 5 1.737 -1.213 -0.783 91 HG1 THR 5 1HG THR 5 2.591 -3.244 -0.158 92 1HG2 THR 5 1HG2 THR 5 -0.448 -1.708 -0.098 93 2HG2 THR 5 2HG2 THR 5 0.568 -2.947 0.637 94 3HG2 THR 5 3HG2 THR 5 -0.388 -3.325 -0.795 95 H GLN 6 H GLN 6 1.667 0.502 -2.502 96 HA GLN 6 HA GLN 6 -0.804 1.757 -2.006 97 1HB GLN 6 2HB GLN 6 1.944 2.617 -2.667 98 2HB GLN 6 1HB GLN 6 0.675 3.760 -3.086 99 1HG GLN 6 2HG GLN 6 -0.147 3.408 -0.678 100 2HG GLN 6 1HG GLN 6 1.450 2.716 -0.394 101 1HE2 GLN 6 1HE2 GLN 6 2.501 4.194 0.750 102 2HE2 GLN 6 2HE2 GLN 6 2.682 5.857 0.317 103 H GLU 7 H GLU 7 0.872 0.936 -4.967 104 HA GLU 7 HA GLU 7 -0.584 2.555 -6.743 105 1HB GLU 7 2HB GLU 7 1.539 0.907 -7.006 106 2HB GLU 7 1HB GLU 7 0.285 -0.102 -7.716 107 1HG GLU 7 2HG GLU 7 -0.110 2.407 -8.841 108 2HG GLU 7 1HG GLU 7 1.640 2.199 -8.803 109 H GLU 8 H GLU 8 -1.116 -0.803 -5.698 110 HA GLU 8 HA GLU 8 -3.411 -1.224 -7.293 111 1HB GLU 8 2HB GLU 8 -3.794 -3.195 -5.916 112 2HB GLU 8 1HB GLU 8 -2.094 -3.067 -6.342 113 1HG GLU 8 2HG GLU 8 -1.449 -2.574 -4.199 114 2HG GLU 8 1HG GLU 8 -3.031 -1.935 -3.753 115 H LEU 9 H LEU 9 -2.931 0.170 -4.122 116 HA LEU 9 HA LEU 9 -5.605 0.065 -3.233 117 1HB LEU 9 2HB LEU 9 -3.132 1.438 -2.444 118 2HB LEU 9 1HB LEU 9 -4.597 2.309 -2.035 119 HG LEU 9 HG LEU 9 -3.916 0.963 -0.155 120 1HD1 LEU 9 1HD1 LEU 9 -6.163 -0.686 -1.116 121 2HD1 LEU 9 2HD1 LEU 9 -6.412 1.059 -1.134 122 3HD1 LEU 9 3HD1 LEU 9 -5.987 0.243 0.372 123 1HD2 LEU 9 1HD2 LEU 9 -3.988 -1.329 -2.107 124 2HD2 LEU 9 2HD2 LEU 9 -3.903 -1.525 -0.357 125 3HD2 LEU 9 3HD2 LEU 9 -2.592 -0.718 -1.219 126 H LEU 10 H LEU 10 -3.775 2.631 -4.877 127 HA LEU 10 HA LEU 10 -5.892 4.485 -5.009 128 1HB LEU 10 2HB LEU 10 -3.262 4.599 -5.569 129 2HB LEU 10 1HB LEU 10 -3.896 4.468 -7.198 130 HG LEU 10 HG LEU 10 -5.322 6.458 -6.763 131 1HD1 LEU 10 1HD1 LEU 10 -5.639 6.550 -4.465 132 2HD1 LEU 10 2HD1 LEU 10 -4.497 7.859 -4.764 133 3HD1 LEU 10 3HD1 LEU 10 -3.926 6.321 -4.119 134 1HD2 LEU 10 1HD2 LEU 10 -3.496 7.139 -7.926 135 2HD2 LEU 10 2HD2 LEU 10 -2.361 6.480 -6.748 136 3HD2 LEU 10 3HD2 LEU 10 -3.182 8.008 -6.423 137 H ARG 11 H ARG 11 -4.918 1.844 -7.102 138 HA ARG 11 HA ARG 11 -6.470 2.455 -9.350 139 1HB ARG 11 2HB ARG 11 -5.333 -0.073 -8.220 140 2HB ARG 11 1HB ARG 11 -6.455 -0.165 -9.571 141 1HG ARG 11 2HG ARG 11 -4.387 1.817 -10.011 142 2HG ARG 11 1HG ARG 11 -3.721 0.210 -9.714 143 1HD ARG 11 2HD ARG 11 -4.055 -0.003 -11.943 144 2HD ARG 11 1HD ARG 11 -5.680 -0.443 -11.416 145 HE ARG 11 HE ARG 11 -6.471 1.492 -12.351 146 1HH1 ARG 11 1HH1 ARG 11 -2.999 1.708 -12.074 147 2HH1 ARG 11 2HH1 ARG 11 -2.892 3.174 -12.987 148 1HH2 ARG 11 1HH2 ARG 11 -6.332 3.420 -13.553 149 2HH2 ARG 11 2HH2 ARG 11 -4.785 4.149 -13.827 150 H TRP 12 H TRP 12 -7.259 0.576 -6.448 151 HA TRP 12 HA TRP 12 -9.862 -0.163 -7.286 152 1HB TRP 12 2HB TRP 12 -8.497 -1.249 -5.447 153 2HB TRP 12 1HB TRP 12 -8.931 0.119 -4.429 154 HD1 TRP 12 HD TRP 12 -10.354 -3.073 -5.920 155 HE1 TRP 12 1HE TRP 12 -12.657 -3.535 -4.869 156 HE3 TRP 12 3HE TRP 12 -10.992 1.328 -3.398 157 HZ2 TRP 12 2HZ TRP 12 -14.500 -2.208 -3.193 158 HZ3 TRP 12 3HZ TRP 12 -13.054 1.652 -2.093 159 HH2 TRP 12 HH TRP 12 -14.771 -0.081 -1.994 160 H CYS 13 H CYS 13 -8.673 2.436 -5.176 161 HA CYS 13 HA CYS 13 -11.170 3.526 -4.517 162 1HB CYS 13 2HB CYS 13 -8.781 4.022 -3.579 163 2HB CYS 13 1HB CYS 13 -8.744 5.259 -4.831 164 HG CYS 13 HG CYS 13 -10.010 6.691 -3.320 165 H GLN 14 H GLN 14 -8.930 4.318 -7.158 166 HA GLN 14 HA GLN 14 -10.417 6.449 -8.225 167 1HB GLN 14 2HB GLN 14 -8.084 6.073 -8.818 168 2HB GLN 14 1HB GLN 14 -8.504 4.555 -9.599 169 1HG GLN 14 2HG GLN 14 -9.820 7.052 -10.530 170 2HG GLN 14 1HG GLN 14 -8.144 6.750 -10.984 171 1HE2 GLN 14 1HE2 GLN 14 -10.750 6.787 -12.491 172 2HE2 GLN 14 2HE2 GLN 14 -10.762 5.296 -13.364 173 H GLU 15 H GLU 15 -10.611 2.977 -8.706 174 HA GLU 15 HA GLU 15 -12.319 3.026 -10.961 175 1HB GLU 15 2HB GLU 15 -11.006 1.042 -10.210 176 2HB GLU 15 1HB GLU 15 -12.104 0.875 -8.847 177 1HG GLU 15 2HG GLU 15 -13.947 0.780 -10.662 178 2HG GLU 15 1HG GLU 15 -12.613 0.407 -11.751 179 H GLN 16 H GLN 16 -12.952 2.770 -7.483 180 HA GLN 16 HA GLN 16 -15.767 2.561 -7.719 181 1HB GLN 16 2HB GLN 16 -13.956 3.347 -5.441 182 2HB GLN 16 1HB GLN 16 -15.705 3.287 -5.272 183 1HG GLN 16 2HG GLN 16 -14.029 0.954 -6.159 184 2HG GLN 16 1HG GLN 16 -14.499 1.254 -4.486 185 1HE2 GLN 16 1HE2 GLN 16 -15.702 0.564 -7.709 186 2HE2 GLN 16 2HE2 GLN 16 -17.206 -0.119 -7.207 187 H THR 17 H THR 17 -13.568 5.292 -7.441 188 HA THR 17 HA THR 17 -15.757 7.179 -7.184 189 HB THR 17 HB THR 17 -13.578 7.472 -5.983 190 HG1 THR 17 1HG THR 17 -14.311 9.540 -7.777 191 1HG2 THR 17 1HG2 THR 17 -12.251 8.760 -8.213 192 2HG2 THR 17 2HG2 THR 17 -12.393 7.014 -8.418 193 3HG2 THR 17 3HG2 THR 17 -11.610 7.671 -6.982 194 H ALA 18 H ALA 18 -14.808 5.467 -9.712 195 HA ALA 18 HA ALA 18 -14.453 7.540 -11.682 196 1HB ALA 18 1HB ALA 18 -13.688 4.966 -11.615 197 2HB ALA 18 2HB ALA 18 -13.874 5.887 -13.107 198 3HB ALA 18 3HB ALA 18 -15.167 4.817 -12.564 199 H GLY 19 H GLY 19 -15.952 8.393 -13.033 200 1HA GLY 19 2HA GLY 19 -18.128 7.839 -14.216 201 2HA GLY 19 1HA GLY 19 -18.743 7.530 -12.597 202 H TYR 20 H TYR 20 -17.359 9.726 -11.346 203 HA TYR 20 HA TYR 20 -19.270 11.773 -11.825 204 1HB TYR 20 2HB TYR 20 -16.703 11.891 -10.224 205 2HB TYR 20 1HB TYR 20 -18.026 13.049 -10.138 206 HD1 TYR 20 1HD TYR 20 -19.955 12.616 -8.815 207 HD2 TYR 20 2HD TYR 20 -17.050 9.563 -9.396 208 HE1 TYR 20 1HE TYR 20 -21.023 11.273 -7.055 209 HE2 TYR 20 2HE TYR 20 -18.110 8.211 -7.638 210 HH TYR 20 HH TYR 20 -19.587 8.719 -5.563 211 HA PRO 21 HA PRO 21 -17.107 13.900 -15.074 212 1HB PRO 21 2HB PRO 21 -18.544 16.179 -15.119 213 2HB PRO 21 1HB PRO 21 -19.197 14.644 -15.703 214 1HG PRO 21 2HG PRO 21 -19.631 16.008 -13.075 215 2HG PRO 21 1HG PRO 21 -20.810 15.197 -14.123 216 1HD PRO 21 2HD PRO 21 -19.714 14.027 -11.918 217 2HD PRO 21 1HD PRO 21 -20.255 13.111 -13.338 218 H GLY 22 H GLY 22 -15.071 14.463 -14.468 219 1HA GLY 22 2HA GLY 22 -13.679 16.436 -14.168 220 2HA GLY 22 1HA GLY 22 -14.804 16.965 -12.928 221 H VAL 23 H VAL 23 -14.944 14.134 -11.904 222 HA VAL 23 HA VAL 23 -12.784 14.390 -10.028 223 HB VAL 23 HB VAL 23 -14.717 12.087 -10.293 224 1HG1 VAL 23 1HG1 VAL 23 -12.597 11.919 -8.859 225 2HG1 VAL 23 2HG1 VAL 23 -14.138 11.508 -8.105 226 3HG1 VAL 23 3HG1 VAL 23 -13.391 13.075 -7.790 227 1HG2 VAL 23 1HG2 VAL 23 -16.109 13.969 -10.076 228 2HG2 VAL 23 2HG2 VAL 23 -15.015 14.751 -8.935 229 3HG2 VAL 23 3HG2 VAL 23 -15.945 13.335 -8.438 230 H HIS 24 H HIS 24 -10.822 13.608 -10.286 231 HA HIS 24 HA HIS 24 -10.445 11.122 -11.801 232 1HB HIS 24 2HB HIS 24 -8.651 13.541 -12.066 233 2HB HIS 24 1HB HIS 24 -8.500 12.016 -12.935 234 HD1 HIS 24 1HD HIS 24 -11.107 11.523 -14.173 235 HD2 HIS 24 2HD HIS 24 -9.610 15.381 -13.783 236 HE1 HIS 24 1HE HIS 24 -12.311 12.891 -15.906 237 HE2 HIS 24 2HE HIS 24 -11.448 15.237 -15.596 238 H VAL 25 H VAL 25 -10.452 10.398 -9.497 239 HA VAL 25 HA VAL 25 -8.342 11.127 -7.749 240 HB VAL 25 HB VAL 25 -9.976 8.588 -7.721 241 1HG1 VAL 25 1HG1 VAL 25 -9.429 9.132 -5.141 242 2HG1 VAL 25 2HG1 VAL 25 -7.972 9.766 -5.906 243 3HG1 VAL 25 3HG1 VAL 25 -8.436 8.081 -6.150 244 1HG2 VAL 25 1HG2 VAL 25 -10.496 11.179 -6.268 245 2HG2 VAL 25 2HG2 VAL 25 -11.490 9.721 -6.229 246 3HG2 VAL 25 3HG2 VAL 25 -11.349 10.654 -7.719 247 H SER 26 H SER 26 -6.288 10.834 -8.314 248 HA SER 26 HA SER 26 -5.355 8.135 -8.799 249 1HB SER 26 2HB SER 26 -4.964 10.356 -10.812 250 2HB SER 26 1HB SER 26 -4.000 8.878 -10.797 251 HG SER 26 HG SER 26 -6.803 9.107 -11.169 252 H ASP 27 H ASP 27 -5.129 10.427 -6.838 253 HA ASP 27 HA ASP 27 -2.217 10.306 -6.574 254 1HB ASP 27 2HB ASP 27 -3.860 12.834 -6.315 255 2HB ASP 27 1HB ASP 27 -2.157 12.690 -5.889 256 H LEU 28 H LEU 28 -1.455 10.389 -4.433 257 HA LEU 28 HA LEU 28 -3.479 9.687 -2.452 258 1HB LEU 28 2HB LEU 28 -0.789 8.883 -2.987 259 2HB LEU 28 1HB LEU 28 -0.860 9.537 -1.363 260 HG LEU 28 HG LEU 28 -3.054 7.890 -1.406 261 1HD1 LEU 28 1HD1 LEU 28 -2.695 5.971 -2.588 262 2HD1 LEU 28 2HD1 LEU 28 -0.944 6.182 -2.617 263 3HD1 LEU 28 3HD1 LEU 28 -1.967 7.141 -3.689 264 1HD2 LEU 28 1HD2 LEU 28 -1.640 6.356 -0.072 265 2HD2 LEU 28 2HD2 LEU 28 -1.487 8.042 0.414 266 3HD2 LEU 28 3HD2 LEU 28 -0.225 7.287 -0.557 267 H SER 29 H SER 29 -3.311 12.430 -3.238 268 HA SER 29 HA SER 29 -3.108 13.627 -0.649 269 1HB SER 29 2HB SER 29 -0.905 13.965 -2.606 270 2HB SER 29 1HB SER 29 -1.459 15.427 -1.792 271 HG SER 29 HG SER 29 0.219 13.742 -0.835 272 H SER 30 H SER 30 -2.701 14.863 -3.968 273 HA SER 30 HA SER 30 -4.430 17.040 -3.644 274 1HB SER 30 2HB SER 30 -2.709 16.207 -5.604 275 2HB SER 30 1HB SER 30 -4.273 15.965 -6.379 276 HG SER 30 HG SER 30 -3.228 18.357 -5.276 277 H SER 31 H SER 31 -5.017 13.835 -5.048 278 HA SER 31 HA SER 31 -7.606 14.173 -5.940 279 1HB SER 31 2HB SER 31 -6.483 11.680 -4.642 280 2HB SER 31 1HB SER 31 -7.857 11.756 -5.745 281 HG SER 31 HG SER 31 -6.380 12.573 -7.334 282 H TRP 32 H TRP 32 -6.461 13.918 -2.670 283 HA TRP 32 HA TRP 32 -9.211 13.645 -1.680 284 1HB TRP 32 2HB TRP 32 -6.656 13.497 -0.076 285 2HB TRP 32 1HB TRP 32 -8.270 13.014 0.438 286 HD1 TRP 32 HD TRP 32 -5.555 11.935 -2.103 287 HE1 TRP 32 1HE TRP 32 -5.784 9.400 -2.484 288 HE3 TRP 32 3HE TRP 32 -9.744 11.069 0.697 289 HZ2 TRP 32 2HZ TRP 32 -7.512 7.311 -1.701 290 HZ3 TRP 32 3HZ TRP 32 -10.621 8.773 0.828 291 HH2 TRP 32 HH TRP 32 -9.526 6.935 -0.347 292 H ALA 33 H ALA 33 -7.123 16.069 -2.457 293 HA ALA 33 HA ALA 33 -7.051 17.824 -0.334 294 1HB ALA 33 1HB ALA 33 -7.097 19.626 -2.144 295 2HB ALA 33 2HB ALA 33 -7.222 18.293 -3.293 296 3HB ALA 33 3HB ALA 33 -5.818 18.417 -2.233 297 H ASP 34 H ASP 34 -9.620 17.487 -2.775 298 HA ASP 34 HA ASP 34 -11.308 19.310 -1.238 299 1HB ASP 34 2HB ASP 34 -12.878 19.005 -3.221 300 2HB ASP 34 1HB ASP 34 -11.349 19.810 -3.553 301 H GLY 35 H GLY 35 -10.696 16.025 -1.350 302 1HA GLY 35 2HA GLY 35 -11.737 14.337 -0.156 303 2HA GLY 35 1HA GLY 35 -13.031 15.459 0.238 304 H LEU 36 H LEU 36 -11.912 14.661 -3.006 305 HA LEU 36 HA LEU 36 -14.580 14.064 -3.847 306 1HB LEU 36 2HB LEU 36 -12.032 14.586 -5.082 307 2HB LEU 36 1HB LEU 36 -12.773 13.177 -5.817 308 HG LEU 36 HG LEU 36 -13.454 15.008 -7.130 309 1HD1 LEU 36 1HD1 LEU 36 -15.778 14.895 -7.040 310 2HD1 LEU 36 2HD1 LEU 36 -15.799 14.727 -5.285 311 3HD1 LEU 36 3HD1 LEU 36 -15.254 13.386 -6.293 312 1HD2 LEU 36 1HD2 LEU 36 -14.784 16.883 -5.779 313 2HD2 LEU 36 2HD2 LEU 36 -13.049 16.974 -6.081 314 3HD2 LEU 36 3HD2 LEU 36 -13.644 16.395 -4.524 315 H ALA 37 H ALA 37 -11.678 12.159 -3.188 316 HA ALA 37 HA ALA 37 -12.617 9.689 -4.137 317 1HB ALA 37 1HB ALA 37 -10.819 8.693 -2.920 318 2HB ALA 37 2HB ALA 37 -10.689 10.095 -1.860 319 3HB ALA 37 3HB ALA 37 -10.250 10.234 -3.562 320 H LEU 38 H LEU 38 -12.722 11.101 -0.875 321 HA LEU 38 HA LEU 38 -14.056 8.885 0.304 322 1HB LEU 38 2HB LEU 38 -14.157 11.707 1.334 323 2HB LEU 38 1HB LEU 38 -14.249 10.215 2.250 324 HG LEU 38 HG LEU 38 -11.742 10.508 0.764 325 1HD1 LEU 38 1HD1 LEU 38 -12.606 12.875 1.746 326 2HD1 LEU 38 2HD1 LEU 38 -10.910 12.412 1.613 327 3HD1 LEU 38 3HD1 LEU 38 -11.758 12.224 3.148 328 1HD2 LEU 38 1HD2 LEU 38 -11.928 8.761 2.342 329 2HD2 LEU 38 2HD2 LEU 38 -12.547 9.847 3.585 330 3HD2 LEU 38 3HD2 LEU 38 -10.865 9.963 3.071 331 H CYS 39 H CYS 39 -15.153 11.981 -1.005 332 HA CYS 39 HA CYS 39 -17.862 11.722 -0.277 333 1HB CYS 39 2HB CYS 39 -16.362 13.363 -2.278 334 2HB CYS 39 1HB CYS 39 -18.119 13.326 -2.345 335 HG CYS 39 HG CYS 39 -18.215 14.452 -0.038 336 H ALA 40 H ALA 40 -16.175 10.969 -3.314 337 HA ALA 40 HA ALA 40 -18.368 10.102 -4.789 338 1HB ALA 40 1HB ALA 40 -16.553 10.309 -6.134 339 2HB ALA 40 2HB ALA 40 -16.467 8.570 -5.852 340 3HB ALA 40 3HB ALA 40 -15.443 9.665 -4.924 341 H LEU 41 H LEU 41 -16.264 8.282 -2.589 342 HA LEU 41 HA LEU 41 -17.300 5.732 -3.081 343 1HB LEU 41 2HB LEU 41 -16.119 6.884 -0.554 344 2HB LEU 41 1HB LEU 41 -16.441 5.179 -0.804 345 HG LEU 41 HG LEU 41 -14.706 6.585 -2.779 346 1HD1 LEU 41 1HD1 LEU 41 -13.299 5.419 -0.478 347 2HD1 LEU 41 2HD1 LEU 41 -14.124 6.945 -0.161 348 3HD1 LEU 41 3HD1 LEU 41 -12.918 6.844 -1.443 349 1HD2 LEU 41 1HD2 LEU 41 -13.562 4.218 -2.287 350 2HD2 LEU 41 2HD2 LEU 41 -14.876 4.428 -3.444 351 3HD2 LEU 41 3HD2 LEU 41 -15.218 3.837 -1.818 352 H VAL 42 H VAL 42 -18.185 8.070 -0.541 353 HA VAL 42 HA VAL 42 -20.238 6.538 0.604 354 HB VAL 42 HB VAL 42 -20.113 9.554 0.520 355 1HG1 VAL 42 1HG1 VAL 42 -21.469 7.585 2.346 356 2HG1 VAL 42 2HG1 VAL 42 -22.208 8.858 1.374 357 3HG1 VAL 42 3HG1 VAL 42 -21.220 9.277 2.774 358 1HG2 VAL 42 1HG2 VAL 42 -18.115 7.924 1.446 359 2HG2 VAL 42 2HG2 VAL 42 -19.070 8.215 2.900 360 3HG2 VAL 42 3HG2 VAL 42 -18.419 9.576 1.985 361 H TYR 43 H TYR 43 -20.397 9.138 -1.823 362 HA TYR 43 HA TYR 43 -23.163 9.156 -2.180 363 1HB TYR 43 2HB TYR 43 -21.479 10.821 -3.079 364 2HB TYR 43 1HB TYR 43 -21.143 9.668 -4.364 365 HD1 TYR 43 1HD TYR 43 -23.914 11.612 -2.820 366 HD2 TYR 43 2HD TYR 43 -22.443 9.665 -6.302 367 HE1 TYR 43 1HE TYR 43 -25.796 12.522 -4.115 368 HE2 TYR 43 2HE TYR 43 -24.318 10.570 -7.608 369 HH TYR 43 HH TYR 43 -26.312 13.047 -6.491 370 H ARG 44 H ARG 44 -20.680 7.133 -3.653 371 HA ARG 44 HA ARG 44 -22.285 5.936 -5.626 372 1HB ARG 44 2HB ARG 44 -19.737 5.865 -5.367 373 2HB ARG 44 1HB ARG 44 -20.005 4.547 -4.233 374 1HG ARG 44 2HG ARG 44 -19.499 3.632 -6.384 375 2HG ARG 44 1HG ARG 44 -21.196 3.315 -6.020 376 1HD ARG 44 2HD ARG 44 -21.871 5.177 -7.424 377 2HD ARG 44 1HD ARG 44 -20.183 5.574 -7.742 378 HE ARG 44 HE ARG 44 -21.740 3.494 -8.973 379 1HH1 ARG 44 1HH1 ARG 44 -18.516 4.571 -8.189 380 2HH1 ARG 44 2HH1 ARG 44 -17.766 3.653 -9.452 381 1HH2 ARG 44 1HH2 ARG 44 -20.758 2.286 -10.634 382 2HH2 ARG 44 2HH2 ARG 44 -19.039 2.356 -10.841 383 H LEU 45 H LEU 45 -21.667 5.063 -2.255 384 HA LEU 45 HA LEU 45 -23.272 2.668 -2.447 385 1HB LEU 45 2HB LEU 45 -21.673 4.007 -0.319 386 2HB LEU 45 1HB LEU 45 -22.921 2.879 0.171 387 HG LEU 45 HG LEU 45 -20.614 1.907 -0.019 388 1HD1 LEU 45 1HD1 LEU 45 -21.487 -0.116 -0.486 389 2HD1 LEU 45 2HD1 LEU 45 -22.208 0.424 -2.002 390 3HD1 LEU 45 3HD1 LEU 45 -23.010 0.773 -0.470 391 1HD2 LEU 45 1HD2 LEU 45 -21.111 2.332 -2.963 392 2HD2 LEU 45 2HD2 LEU 45 -19.807 1.363 -2.275 393 3HD2 LEU 45 3HD2 LEU 45 -19.859 3.102 -1.988 394 H GLN 46 H GLN 46 -23.618 5.940 -1.193 395 HA GLN 46 HA GLN 46 -26.501 5.470 -0.956 396 1HB GLN 46 2HB GLN 46 -24.717 6.636 1.178 397 2HB GLN 46 1HB GLN 46 -26.454 6.906 1.148 398 1HG GLN 46 2HG GLN 46 -25.655 4.098 0.923 399 2HG GLN 46 1HG GLN 46 -25.215 4.874 2.444 400 1HE2 GLN 46 1HE2 GLN 46 -27.991 4.851 0.226 401 2HE2 GLN 46 2HE2 GLN 46 -29.188 4.643 1.455 402 HA PRO 47 HA PRO 47 -25.437 9.413 -3.199 403 1HB PRO 47 2HB PRO 47 -26.928 8.924 -5.403 404 2HB PRO 47 1HB PRO 47 -25.270 8.334 -5.229 405 1HG PRO 47 2HG PRO 47 -27.852 6.879 -4.815 406 2HG PRO 47 1HG PRO 47 -26.372 6.326 -5.621 407 1HD PRO 47 2HD PRO 47 -27.022 5.636 -3.071 408 2HD PRO 47 1HD PRO 47 -25.346 5.784 -3.637 409 H GLY 48 H GLY 48 -28.408 7.691 -2.516 410 1HA GLY 48 2HA GLY 48 -30.114 9.969 -2.956 411 2HA GLY 48 1HA GLY 48 -30.586 8.430 -2.255 412 H LEU 49 H LEU 49 -28.012 9.152 -0.468 413 HA LEU 49 HA LEU 49 -29.526 10.843 1.408 414 1HB LEU 49 2HB LEU 49 -27.722 8.535 2.130 415 2HB LEU 49 1HB LEU 49 -28.584 9.562 3.259 416 HG LEU 49 HG LEU 49 -29.927 7.770 1.236 417 1HD1 LEU 49 1HD1 LEU 49 -29.804 7.279 4.190 418 2HD1 LEU 49 2HD1 LEU 49 -28.562 6.658 3.103 419 3HD1 LEU 49 3HD1 LEU 49 -30.242 6.165 2.894 420 1HD2 LEU 49 1HD2 LEU 49 -31.336 8.704 3.643 421 2HD2 LEU 49 2HD2 LEU 49 -31.908 8.536 1.983 422 3HD2 LEU 49 3HD2 LEU 49 -30.965 9.951 2.451 423 H LEU 50 H LEU 50 -27.356 11.406 -0.605 424 HA LEU 50 HA LEU 50 -25.693 12.971 1.197 425 1HB LEU 50 2HB LEU 50 -24.768 10.578 -0.051 426 2HB LEU 50 1HB LEU 50 -23.938 11.936 -0.789 427 HG LEU 50 HG LEU 50 -23.597 12.618 1.768 428 1HD1 LEU 50 1HD1 LEU 50 -24.731 10.853 2.828 429 2HD1 LEU 50 2HD1 LEU 50 -23.016 10.470 2.987 430 3HD1 LEU 50 3HD1 LEU 50 -23.996 9.642 1.777 431 1HD2 LEU 50 1HD2 LEU 50 -22.020 10.802 -0.006 432 2HD2 LEU 50 2HD2 LEU 50 -21.442 11.182 1.616 433 3HD2 LEU 50 3HD2 LEU 50 -21.705 12.476 0.448 434 H GLU 51 H GLU 51 -24.381 14.588 0.013 435 HA GLU 51 HA GLU 51 -25.230 15.166 -2.708 436 1HB GLU 51 2HB GLU 51 -25.538 17.295 -0.598 437 2HB GLU 51 1HB GLU 51 -26.099 17.330 -2.263 438 1HG GLU 51 2HG GLU 51 -27.774 15.673 -1.786 439 2HG GLU 51 1HG GLU 51 -27.153 15.465 -0.149 440 HA PRO 52 HA PRO 52 -20.812 16.332 -1.221 441 1HB PRO 52 2HB PRO 52 -19.545 14.567 -2.918 442 2HB PRO 52 1HB PRO 52 -19.876 14.257 -1.211 443 1HG PRO 52 2HG PRO 52 -21.388 13.365 -3.632 444 2HG PRO 52 1HG PRO 52 -21.015 12.471 -2.147 445 1HD PRO 52 2HD PRO 52 -23.442 13.529 -2.577 446 2HD PRO 52 1HD PRO 52 -22.720 13.488 -0.955 447 H SER 53 H SER 53 -22.582 15.960 -4.168 448 HA SER 53 HA SER 53 -20.819 16.950 -6.061 449 1HB SER 53 2HB SER 53 -23.490 16.266 -6.036 450 2HB SER 53 1HB SER 53 -23.540 17.999 -6.359 451 HG SER 53 HG SER 53 -22.088 17.627 -8.097 452 H GLU 54 H GLU 54 -22.862 18.687 -3.773 453 HA GLU 54 HA GLU 54 -22.173 21.285 -4.730 454 1HB GLU 54 2HB GLU 54 -23.953 20.177 -2.804 455 2HB GLU 54 1HB GLU 54 -22.967 21.383 -1.987 456 1HG GLU 54 2HG GLU 54 -23.729 23.108 -3.342 457 2HG GLU 54 1HG GLU 54 -24.299 22.002 -4.592 458 H LEU 55 H LEU 55 -21.163 19.358 -1.926 459 HA LEU 55 HA LEU 55 -19.266 21.240 -0.977 460 1HB LEU 55 2HB LEU 55 -19.343 18.272 -0.459 461 2HB LEU 55 1HB LEU 55 -18.541 19.487 0.517 462 HG LEU 55 HG LEU 55 -21.409 19.979 0.180 463 1HD1 LEU 55 1HD1 LEU 55 -20.454 17.462 1.527 464 2HD1 LEU 55 2HD1 LEU 55 -21.620 17.607 0.213 465 3HD1 LEU 55 3HD1 LEU 55 -22.028 18.199 1.823 466 1HD2 LEU 55 1HD2 LEU 55 -20.540 21.290 1.818 467 2HD2 LEU 55 2HD2 LEU 55 -19.328 20.099 2.286 468 3HD2 LEU 55 3HD2 LEU 55 -21.001 19.905 2.808 469 H GLN 56 H GLN 56 -19.164 19.200 -3.662 470 HA GLN 56 HA GLN 56 -16.507 18.318 -3.655 471 1HB GLN 56 2HB GLN 56 -18.626 18.681 -5.676 472 2HB GLN 56 1HB GLN 56 -16.984 18.699 -6.304 473 1HG GLN 56 2HG GLN 56 -16.601 16.528 -5.128 474 2HG GLN 56 1HG GLN 56 -18.323 16.503 -4.751 475 1HE2 GLN 56 1HE2 GLN 56 -16.435 17.330 -7.642 476 2HE2 GLN 56 2HE2 GLN 56 -17.283 16.269 -8.708 477 H GLY 57 H GLY 57 -17.921 21.401 -4.558 478 1HA GLY 57 2HA GLY 57 -15.179 22.432 -4.947 479 2HA GLY 57 1HA GLY 57 -16.519 22.948 -5.960 480 H LEU 58 H LEU 58 -17.892 22.606 -3.027 481 HA LEU 58 HA LEU 58 -17.941 25.432 -2.560 482 1HB LEU 58 2HB LEU 58 -19.419 23.098 -1.690 483 2HB LEU 58 1HB LEU 58 -19.072 24.164 -0.342 484 HG LEU 58 HG LEU 58 -19.960 25.942 -2.205 485 1HD1 LEU 58 1HD1 LEU 58 -21.951 25.034 -3.238 486 2HD1 LEU 58 2HD1 LEU 58 -21.615 23.447 -2.548 487 3HD1 LEU 58 3HD1 LEU 58 -20.530 24.127 -3.760 488 1HD2 LEU 58 1HD2 LEU 58 -22.007 24.586 -0.535 489 2HD2 LEU 58 2HD2 LEU 58 -21.666 26.305 -0.738 490 3HD2 LEU 58 3HD2 LEU 58 -20.623 25.313 0.280 491 H GLY 59 H GLY 59 -16.245 22.697 -1.228 492 1HA GLY 59 2HA GLY 59 -14.195 24.143 -0.078 493 2HA GLY 59 1HA GLY 59 -15.403 23.960 1.185 494 H ALA 60 H ALA 60 -12.618 22.845 0.736 495 HA ALA 60 HA ALA 60 -12.902 20.037 0.366 496 1HB ALA 60 1HB ALA 60 -10.698 21.793 1.385 497 2HB ALA 60 2HB ALA 60 -10.771 20.851 -0.104 498 3HB ALA 60 3HB ALA 60 -10.566 20.035 1.446 499 H LEU 61 H LEU 61 -12.238 21.989 3.279 500 HA LEU 61 HA LEU 61 -12.392 19.898 5.124 501 1HB LEU 61 2HB LEU 61 -13.083 22.810 5.530 502 2HB LEU 61 1HB LEU 61 -12.777 21.652 6.810 503 HG LEU 61 HG LEU 61 -10.691 22.239 4.731 504 1HD1 LEU 61 1HD1 LEU 61 -9.802 23.742 6.702 505 2HD1 LEU 61 2HD1 LEU 61 -11.524 23.899 7.053 506 3HD1 LEU 61 3HD1 LEU 61 -10.895 24.387 5.479 507 1HD2 LEU 61 1HD2 LEU 61 -10.770 20.322 6.599 508 2HD2 LEU 61 2HD2 LEU 61 -10.073 21.628 7.556 509 3HD2 LEU 61 3HD2 LEU 61 -9.274 21.096 6.076 510 H GLU 62 H GLU 62 -14.907 22.041 3.863 511 HA GLU 62 HA GLU 62 -16.990 21.172 5.544 512 1HB GLU 62 2HB GLU 62 -16.826 22.604 2.936 513 2HB GLU 62 1HB GLU 62 -18.382 21.942 3.415 514 1HG GLU 62 2HG GLU 62 -17.997 23.174 5.631 515 2HG GLU 62 1HG GLU 62 -16.748 24.061 4.755 516 H ALA 63 H ALA 63 -16.014 20.119 2.293 517 HA ALA 63 HA ALA 63 -18.051 18.199 1.965 518 1HB ALA 63 1HB ALA 63 -17.025 17.653 -0.002 519 2HB ALA 63 2HB ALA 63 -15.403 17.787 0.678 520 3HB ALA 63 3HB ALA 63 -16.314 19.243 0.276 521 H THR 64 H THR 64 -14.741 17.952 3.207 522 HA THR 64 HA THR 64 -14.769 15.144 3.561 523 HB THR 64 HB THR 64 -13.116 17.080 5.176 524 HG1 THR 64 1HG THR 64 -12.597 17.777 3.231 525 1HG2 THR 64 1HG2 THR 64 -11.476 15.072 4.370 526 2HG2 THR 64 2HG2 THR 64 -12.998 14.215 4.620 527 3HG2 THR 64 3HG2 THR 64 -12.288 15.154 5.933 528 H ALA 65 H ALA 65 -15.252 17.821 5.862 529 HA ALA 65 HA ALA 65 -15.798 16.175 8.088 530 1HB ALA 65 1HB ALA 65 -16.981 18.376 8.880 531 2HB ALA 65 2HB ALA 65 -16.200 19.058 7.452 532 3HB ALA 65 3HB ALA 65 -15.226 18.306 8.717 533 H TRP 66 H TRP 66 -17.925 17.771 5.739 534 HA TRP 66 HA TRP 66 -20.351 16.986 6.967 535 1HB TRP 66 2HB TRP 66 -20.036 18.827 5.245 536 2HB TRP 66 1HB TRP 66 -19.969 17.556 4.027 537 HD1 TRP 66 HD TRP 66 -22.400 19.365 6.341 538 HE1 TRP 66 1HE TRP 66 -24.807 18.769 5.646 539 HE3 TRP 66 3HE TRP 66 -21.377 15.695 2.930 540 HZ2 TRP 66 2HZ TRP 66 -26.099 16.981 3.886 541 HZ3 TRP 66 3HZ TRP 66 -23.255 14.591 1.786 542 HH2 TRP 66 HH TRP 66 -25.566 15.222 2.254 543 H ALA 67 H ALA 67 -18.517 15.632 4.239 544 HA ALA 67 HA ALA 67 -20.277 13.490 3.725 545 1HB ALA 67 1HB ALA 67 -17.322 13.480 3.166 546 2HB ALA 67 2HB ALA 67 -18.481 14.388 2.196 547 3HB ALA 67 3HB ALA 67 -18.598 12.629 2.296 548 H LEU 68 H LEU 68 -17.431 13.782 5.799 549 HA LEU 68 HA LEU 68 -17.220 11.058 6.489 550 1HB LEU 68 2HB LEU 68 -16.248 13.617 7.678 551 2HB LEU 68 1HB LEU 68 -16.126 12.147 8.625 552 HG LEU 68 HG LEU 68 -14.985 12.366 5.848 553 1HD1 LEU 68 1HD1 LEU 68 -12.811 12.490 7.407 554 2HD1 LEU 68 2HD1 LEU 68 -13.946 13.389 8.415 555 3HD1 LEU 68 3HD1 LEU 68 -13.622 13.917 6.763 556 1HD2 LEU 68 1HD2 LEU 68 -14.930 10.144 6.271 557 2HD2 LEU 68 2HD2 LEU 68 -14.990 10.362 8.020 558 3HD2 LEU 68 3HD2 LEU 68 -13.469 10.586 7.156 559 H LYS 69 H LYS 69 -18.876 13.765 8.087 560 HA LYS 69 HA LYS 69 -19.794 12.320 10.317 561 1HB LYS 69 2HB LYS 69 -19.861 14.931 9.578 562 2HB LYS 69 1HB LYS 69 -21.541 14.482 9.317 563 1HG LYS 69 2HG LYS 69 -21.324 13.457 11.716 564 2HG LYS 69 1HG LYS 69 -19.977 14.592 11.847 565 1HD LYS 69 2HD LYS 69 -21.367 16.452 11.549 566 2HD LYS 69 1HD LYS 69 -22.677 15.477 10.879 567 1HE LYS 69 2HE LYS 69 -21.882 14.743 13.604 568 2HE LYS 69 1HE LYS 69 -22.542 16.370 13.452 569 1HZ LYS 69 1HZ LYS 69 -24.481 15.402 12.331 570 2HZ LYS 69 2HZ LYS 69 -24.296 14.810 13.905 571 3HZ LYS 69 3HZ LYS 69 -23.853 13.850 12.584 572 H VAL 70 H VAL 70 -21.389 13.069 7.226 573 HA VAL 70 HA VAL 70 -23.782 11.669 7.839 574 HB VAL 70 HB VAL 70 -22.686 12.295 5.094 575 1HG1 VAL 70 1HG1 VAL 70 -24.549 10.680 5.162 576 2HG1 VAL 70 2HG1 VAL 70 -24.991 12.193 4.369 577 3HG1 VAL 70 3HG1 VAL 70 -25.525 11.874 6.021 578 1HG2 VAL 70 1HG2 VAL 70 -23.543 14.427 5.207 579 2HG2 VAL 70 2HG2 VAL 70 -22.977 14.208 6.862 580 3HG2 VAL 70 3HG2 VAL 70 -24.689 14.015 6.483 581 H ALA 71 H ALA 71 -20.805 10.773 6.152 582 HA ALA 71 HA ALA 71 -21.588 8.313 5.119 583 1HB ALA 71 1HB ALA 71 -19.456 9.394 4.576 584 2HB ALA 71 2HB ALA 71 -19.222 7.727 5.104 585 3HB ALA 71 3HB ALA 71 -18.874 9.059 6.206 586 H GLU 72 H GLU 72 -20.229 9.092 8.300 587 HA GLU 72 HA GLU 72 -20.295 6.415 9.259 588 1HB GLU 72 2HB GLU 72 -19.856 7.399 11.458 589 2HB GLU 72 1HB GLU 72 -18.798 8.088 10.234 590 1HG GLU 72 2HG GLU 72 -20.022 10.110 10.183 591 2HG GLU 72 1HG GLU 72 -21.335 9.418 11.134 592 H ASN 73 H ASN 73 -22.511 9.138 9.386 593 HA ASN 73 HA ASN 73 -24.328 7.981 11.227 594 1HB ASN 73 2HB ASN 73 -24.145 10.402 9.648 595 2HB ASN 73 1HB ASN 73 -25.788 9.766 9.646 596 1HD2 ASN 73 1HD2 ASN 73 -27.026 10.066 11.384 597 2HD2 ASN 73 2HD2 ASN 73 -26.494 10.759 12.874 598 H GLU 74 H GLU 74 -24.177 8.040 7.694 599 HA GLU 74 HA GLU 74 -26.675 6.645 7.401 600 1HB GLU 74 2HB GLU 74 -24.692 7.893 5.631 601 2HB GLU 74 1HB GLU 74 -25.468 6.467 4.954 602 1HG GLU 74 2HG GLU 74 -26.754 8.304 4.260 603 2HG GLU 74 1HG GLU 74 -27.672 7.527 5.549 604 H LEU 75 H LEU 75 -23.241 5.774 7.073 605 HA LEU 75 HA LEU 75 -24.013 3.011 6.522 606 1HB LEU 75 2HB LEU 75 -21.707 4.677 5.942 607 2HB LEU 75 1HB LEU 75 -21.239 3.118 6.591 608 HG LEU 75 HG LEU 75 -22.545 2.000 4.824 609 1HD1 LEU 75 1HD1 LEU 75 -24.205 3.773 4.477 610 2HD1 LEU 75 2HD1 LEU 75 -23.443 3.276 2.967 611 3HD1 LEU 75 3HD1 LEU 75 -22.959 4.783 3.744 612 1HD2 LEU 75 1HD2 LEU 75 -21.093 2.793 2.895 613 2HD2 LEU 75 2HD2 LEU 75 -20.254 2.244 4.345 614 3HD2 LEU 75 3HD2 LEU 75 -20.422 3.969 4.022 615 H GLY 76 H GLY 76 -22.320 4.906 8.978 616 1HA GLY 76 2HA GLY 76 -22.346 4.291 11.281 617 2HA GLY 76 1HA GLY 76 -22.620 2.625 10.800 618 H ILE 77 H ILE 77 -20.179 4.437 9.151 619 HA ILE 77 HA ILE 77 -18.146 2.673 10.265 620 HB ILE 77 HB ILE 77 -17.810 4.726 8.079 621 1HG1 ILE 77 2HG1 ILE 77 -18.201 1.779 7.621 622 2HG1 ILE 77 1HG1 ILE 77 -19.583 2.868 7.720 623 1HG2 ILE 77 1HG2 ILE 77 -15.885 3.451 9.456 624 2HG2 ILE 77 2HG2 ILE 77 -15.724 3.928 7.767 625 3HG2 ILE 77 3HG2 ILE 77 -16.178 2.274 8.176 626 1HD1 ILE 77 1HD1 ILE 77 -17.404 3.650 5.888 627 2HD1 ILE 77 2HD1 ILE 77 -19.152 3.809 5.714 628 3HD1 ILE 77 3HD1 ILE 77 -18.376 2.250 5.430 629 H THR 78 H THR 78 -16.806 3.273 11.827 630 HA THR 78 HA THR 78 -16.865 5.922 12.900 631 HB THR 78 HB THR 78 -16.578 3.951 14.334 632 HG1 THR 78 1HG THR 78 -15.616 6.061 14.859 633 1HG2 THR 78 1HG2 THR 78 -15.152 2.635 12.768 634 2HG2 THR 78 2HG2 THR 78 -14.575 2.683 14.434 635 3HG2 THR 78 3HG2 THR 78 -13.806 3.688 13.207 636 HA PRO 79 HA PRO 79 -13.838 7.658 10.078 637 1HB PRO 79 2HB PRO 79 -13.611 9.634 12.293 638 2HB PRO 79 1HB PRO 79 -13.873 9.903 10.567 639 1HG PRO 79 2HG PRO 79 -15.876 10.173 12.298 640 2HG PRO 79 1HG PRO 79 -16.143 9.443 10.705 641 1HD PRO 79 2HD PRO 79 -15.923 8.132 13.379 642 2HD PRO 79 1HD PRO 79 -16.965 7.721 12.002 643 H VAL 80 H VAL 80 -11.613 7.742 9.948 644 HA VAL 80 HA VAL 80 -10.114 7.055 12.388 645 HB VAL 80 HB VAL 80 -9.509 5.946 9.646 646 1HG1 VAL 80 1HG1 VAL 80 -8.269 4.321 11.395 647 2HG1 VAL 80 2HG1 VAL 80 -8.181 5.846 12.275 648 3HG1 VAL 80 3HG1 VAL 80 -7.502 5.724 10.652 649 1HG2 VAL 80 1HG2 VAL 80 -10.380 4.094 11.747 650 2HG2 VAL 80 2HG2 VAL 80 -10.790 4.141 10.032 651 3HG2 VAL 80 3HG2 VAL 80 -11.635 5.190 11.170 652 H VAL 81 H VAL 81 -10.576 9.412 10.224 653 HA VAL 81 HA VAL 81 -7.897 10.473 10.615 654 HB VAL 81 HB VAL 81 -7.672 11.140 8.240 655 1HG1 VAL 81 1HG1 VAL 81 -7.931 8.171 8.219 656 2HG1 VAL 81 2HG1 VAL 81 -6.806 8.924 9.350 657 3HG1 VAL 81 3HG1 VAL 81 -6.627 9.194 7.615 658 1HG2 VAL 81 1HG2 VAL 81 -9.905 11.102 7.451 659 2HG2 VAL 81 2HG2 VAL 81 -10.119 9.416 7.926 660 3HG2 VAL 81 3HG2 VAL 81 -9.052 9.825 6.581 661 H SER 82 H SER 82 -7.754 12.779 10.077 662 HA SER 82 HA SER 82 -10.333 14.098 10.537 663 1HB SER 82 2HB SER 82 -7.525 14.693 11.289 664 2HB SER 82 1HB SER 82 -8.544 16.082 10.911 665 HG SER 82 HG SER 82 -8.794 15.661 13.070 666 H ALA 83 H ALA 83 -10.854 16.045 9.391 667 HA ALA 83 HA ALA 83 -10.510 15.870 6.621 668 1HB ALA 83 1HB ALA 83 -12.396 17.042 7.120 669 2HB ALA 83 2HB ALA 83 -11.301 18.392 6.825 670 3HB ALA 83 3HB ALA 83 -11.648 17.883 8.477 671 H GLN 84 H GLN 84 -8.908 17.942 9.013 672 HA GLN 84 HA GLN 84 -7.440 19.555 7.297 673 1HB GLN 84 2HB GLN 84 -7.646 19.793 9.794 674 2HB GLN 84 1HB GLN 84 -6.460 18.504 9.953 675 1HG GLN 84 2HG GLN 84 -4.843 19.875 8.700 676 2HG GLN 84 1HG GLN 84 -6.031 21.176 8.636 677 1HE2 GLN 84 1HE2 GLN 84 -3.318 20.418 10.078 678 2HE2 GLN 84 2HE2 GLN 84 -3.560 21.086 11.653 679 H ALA 85 H ALA 85 -6.690 16.333 8.543 680 HA ALA 85 HA ALA 85 -4.075 16.193 7.450 681 1HB ALA 85 1HB ALA 85 -4.726 13.604 7.675 682 2HB ALA 85 2HB ALA 85 -5.966 14.308 8.714 683 3HB ALA 85 3HB ALA 85 -4.259 14.605 9.051 684 H VAL 86 H VAL 86 -7.262 15.294 6.248 685 HA VAL 86 HA VAL 86 -6.391 13.873 3.966 686 HB VAL 86 HB VAL 86 -8.980 15.404 4.213 687 1HG1 VAL 86 1HG1 VAL 86 -9.554 13.132 2.878 688 2HG1 VAL 86 2HG1 VAL 86 -7.892 13.397 2.354 689 3HG1 VAL 86 3HG1 VAL 86 -9.109 14.646 2.094 690 1HG2 VAL 86 1HG2 VAL 86 -9.543 12.791 4.853 691 2HG2 VAL 86 2HG2 VAL 86 -9.405 14.125 5.998 692 3HG2 VAL 86 3HG2 VAL 86 -8.018 13.079 5.688 693 H VAL 87 H VAL 87 -7.510 17.237 4.345 694 HA VAL 87 HA VAL 87 -7.093 17.987 1.662 695 HB VAL 87 HB VAL 87 -6.975 19.826 4.051 696 1HG1 VAL 87 1HG1 VAL 87 -8.259 20.742 1.595 697 2HG1 VAL 87 2HG1 VAL 87 -6.547 20.367 1.398 698 3HG1 VAL 87 3HG1 VAL 87 -7.060 21.537 2.614 699 1HG2 VAL 87 1HG2 VAL 87 -9.503 20.081 3.234 700 2HG2 VAL 87 2HG2 VAL 87 -9.016 18.921 4.470 701 3HG2 VAL 87 3HG2 VAL 87 -9.246 18.391 2.804 702 H ALA 88 H ALA 88 -4.932 17.715 4.371 703 HA ALA 88 HA ALA 88 -2.849 19.298 3.140 704 1HB ALA 88 1HB ALA 88 -2.381 17.500 5.479 705 2HB ALA 88 2HB ALA 88 -3.339 18.968 5.672 706 3HB ALA 88 3HB ALA 88 -1.671 19.072 5.110 707 H GLY 89 H GLY 89 -3.937 16.087 2.895 708 1HA GLY 89 2HA GLY 89 -3.073 14.217 1.887 709 2HA GLY 89 1HA GLY 89 -2.082 15.338 0.965 710 H SER 90 H SER 90 -1.840 15.171 4.435 711 HA SER 90 HA SER 90 0.781 13.858 4.137 712 1HB SER 90 2HB SER 90 0.415 16.394 5.001 713 2HB SER 90 1HB SER 90 0.297 15.531 6.534 714 HG SER 90 HG SER 90 2.464 16.197 5.881 715 H ASP 91 H ASP 91 -1.502 12.320 4.439 716 HA ASP 91 HA ASP 91 -0.956 11.082 7.023 717 1HB ASP 91 2HB ASP 91 -3.104 12.697 6.892 718 2HB ASP 91 1HB ASP 91 -3.830 11.210 6.286 719 HA PRO 92 HA PRO 92 -1.368 8.218 3.287 720 1HB PRO 92 2HB PRO 92 0.989 6.907 3.814 721 2HB PRO 92 1HB PRO 92 0.843 8.283 2.717 722 1HG PRO 92 2HG PRO 92 1.748 8.219 5.567 723 2HG PRO 92 1HG PRO 92 2.411 9.135 4.200 724 1HD PRO 92 2HD PRO 92 0.828 10.291 6.038 725 2HD PRO 92 1HD PRO 92 0.761 10.757 4.327 726 H LEU 93 H LEU 93 -0.099 7.567 6.547 727 HA LEU 93 HA LEU 93 -0.823 4.858 6.659 728 1HB LEU 93 2HB LEU 93 -0.118 6.954 8.640 729 2HB LEU 93 1HB LEU 93 -0.931 5.526 9.249 730 HG LEU 93 HG LEU 93 0.995 4.352 7.771 731 1HD1 LEU 93 1HD1 LEU 93 2.118 6.987 8.697 732 2HD1 LEU 93 2HD1 LEU 93 2.081 6.346 7.054 733 3HD1 LEU 93 3HD1 LEU 93 3.110 5.591 8.272 734 1HD2 LEU 93 1HD2 LEU 93 2.325 4.573 10.081 735 2HD2 LEU 93 2HD2 LEU 93 0.905 3.546 9.885 736 3HD2 LEU 93 3HD2 LEU 93 0.742 5.146 10.607 737 H GLY 94 H GLY 94 -2.600 7.796 7.467 738 1HA GLY 94 2HA GLY 94 -4.843 6.409 8.591 739 2HA GLY 94 1HA GLY 94 -4.779 8.111 8.161 740 H LEU 95 H LEU 95 -4.101 7.782 5.421 741 HA LEU 95 HA LEU 95 -6.656 7.523 4.292 742 1HB LEU 95 2HB LEU 95 -3.887 7.771 3.236 743 2HB LEU 95 1HB LEU 95 -5.135 7.240 2.124 744 HG LEU 95 HG LEU 95 -5.803 9.641 3.703 745 1HD1 LEU 95 1HD1 LEU 95 -3.281 9.717 2.971 746 2HD1 LEU 95 2HD1 LEU 95 -4.328 11.121 2.770 747 3HD1 LEU 95 3HD1 LEU 95 -3.979 10.077 1.392 748 1HD2 LEU 95 1HD2 LEU 95 -6.804 10.336 1.652 749 2HD2 LEU 95 2HD2 LEU 95 -7.201 8.636 1.894 750 3HD2 LEU 95 3HD2 LEU 95 -5.943 9.092 0.746 751 H ILE 96 H ILE 96 -3.921 5.274 4.403 752 HA ILE 96 HA ILE 96 -5.134 3.261 2.821 753 HB ILE 96 HB ILE 96 -2.992 2.895 4.918 754 1HG1 ILE 96 2HG1 ILE 96 -2.447 3.215 1.987 755 2HG1 ILE 96 1HG1 ILE 96 -2.665 4.644 2.992 756 1HG2 ILE 96 1HG2 ILE 96 -3.430 0.744 4.399 757 2HG2 ILE 96 2HG2 ILE 96 -2.443 1.105 2.983 758 3HG2 ILE 96 3HG2 ILE 96 -4.203 1.157 2.869 759 1HD1 ILE 96 1HD1 ILE 96 -0.705 4.342 4.087 760 2HD1 ILE 96 2HD1 ILE 96 -0.293 3.569 2.556 761 3HD1 ILE 96 3HD1 ILE 96 -0.764 2.585 3.941 762 H ALA 97 H ALA 97 -4.866 3.726 6.331 763 HA ALA 97 HA ALA 97 -6.165 1.357 7.096 764 1HB ALA 97 1HB ALA 97 -5.673 3.978 8.451 765 2HB ALA 97 2HB ALA 97 -4.990 2.392 8.806 766 3HB ALA 97 3HB ALA 97 -6.667 2.742 9.223 767 H TYR 98 H TYR 98 -7.419 4.633 6.559 768 HA TYR 98 HA TYR 98 -10.087 4.085 7.271 769 1HB TYR 98 2HB TYR 98 -9.065 6.367 7.017 770 2HB TYR 98 1HB TYR 98 -9.144 6.147 5.272 771 HD1 TYR 98 1HD TYR 98 -10.861 7.323 8.135 772 HD2 TYR 98 2HD TYR 98 -11.495 5.620 4.289 773 HE1 TYR 98 1HE TYR 98 -13.164 8.187 8.139 774 HE2 TYR 98 2HE TYR 98 -13.799 6.480 4.281 775 HH TYR 98 HH TYR 98 -15.074 8.343 5.391 776 H LEU 99 H LEU 99 -8.457 4.094 4.115 777 HA LEU 99 HA LEU 99 -10.707 3.453 2.564 778 1HB LEU 99 2HB LEU 99 -8.216 4.159 1.955 779 2HB LEU 99 1HB LEU 99 -8.030 2.425 1.769 780 HG LEU 99 HG LEU 99 -10.272 3.837 0.374 781 1HD1 LEU 99 1HD1 LEU 99 -8.572 3.837 -1.602 782 2HD1 LEU 99 2HD1 LEU 99 -7.371 3.911 -0.315 783 3HD1 LEU 99 3HD1 LEU 99 -8.593 5.175 -0.454 784 1HD2 LEU 99 1HD2 LEU 99 -10.471 1.930 -0.811 785 2HD2 LEU 99 2HD2 LEU 99 -9.649 1.226 0.581 786 3HD2 LEU 99 3HD2 LEU 99 -8.730 1.653 -0.863 787 H SER 100 H SER 100 -8.499 1.468 4.417 788 HA SER 100 HA SER 100 -9.120 -1.037 3.330 789 1HB SER 100 2HB SER 100 -7.401 -0.166 5.250 790 2HB SER 100 1HB SER 100 -8.622 -0.965 6.241 791 HG SER 100 HG SER 100 -6.836 -2.036 4.401 792 H HIS 101 H HIS 101 -10.618 0.777 5.978 793 HA HIS 101 HA HIS 101 -12.481 -1.231 6.697 794 1HB HIS 101 2HB HIS 101 -11.922 1.528 7.430 795 2HB HIS 101 1HB HIS 101 -13.651 1.204 7.379 796 HD1 HIS 101 1HD HIS 101 -13.388 -1.795 8.403 797 HD2 HIS 101 2HD HIS 101 -11.731 1.571 10.187 798 HE1 HIS 101 1HE HIS 101 -13.041 -2.415 10.816 799 HE2 HIS 101 2HE HIS 101 -11.962 -0.391 11.856 800 H PHE 102 H PHE 102 -12.733 1.629 4.608 801 HA PHE 102 HA PHE 102 -15.443 1.326 3.938 802 1HB PHE 102 2HB PHE 102 -13.256 3.010 3.160 803 2HB PHE 102 1HB PHE 102 -14.090 2.455 1.712 804 HD1 PHE 102 1HD PHE 102 -14.568 4.179 4.949 805 HD2 PHE 102 2HD PHE 102 -16.174 3.342 1.098 806 HE1 PHE 102 1HE PHE 102 -16.316 5.871 5.315 807 HE2 PHE 102 2HE PHE 102 -17.925 5.033 1.457 808 HZ PHE 102 HZ PHE 102 -17.998 6.301 3.568 809 H HIS 103 H HIS 103 -12.505 0.001 2.510 810 HA HIS 103 HA HIS 103 -13.747 -1.148 0.235 811 1HB HIS 103 2HB HIS 103 -11.281 -0.698 0.511 812 2HB HIS 103 1HB HIS 103 -11.212 -2.095 1.580 813 HD1 HIS 103 1HD HIS 103 -9.446 -2.497 -0.653 814 HD2 HIS 103 2HD HIS 103 -13.516 -3.225 -1.063 815 HE1 HIS 103 1HE HIS 103 -9.657 -4.040 -2.628 816 HE2 HIS 103 2HE HIS 103 -12.136 -4.393 -2.912 817 H SER 104 H SER 104 -12.968 -2.383 3.457 818 HA SER 104 HA SER 104 -13.629 -5.064 3.052 819 1HB SER 104 2HB SER 104 -12.651 -3.697 5.148 820 2HB SER 104 1HB SER 104 -14.325 -3.859 5.679 821 HG SER 104 HG SER 104 -14.026 -6.171 5.157 822 H ALA 105 H ALA 105 -15.663 -2.333 4.030 823 HA ALA 105 HA ALA 105 -18.033 -3.891 4.324 824 1HB ALA 105 1HB ALA 105 -18.320 -1.018 3.732 825 2HB ALA 105 2HB ALA 105 -17.333 -1.421 5.137 826 3HB ALA 105 3HB ALA 105 -19.001 -1.983 5.040 827 H PHE 106 H PHE 106 -16.516 -2.174 1.688 828 HA PHE 106 HA PHE 106 -18.784 -2.232 -0.052 829 1HB PHE 106 2HB PHE 106 -15.860 -1.635 -0.408 830 2HB PHE 106 1HB PHE 106 -16.910 -1.800 -1.810 831 HD1 PHE 106 1HD PHE 106 -17.993 -0.344 1.399 832 HD2 PHE 106 2HD PHE 106 -16.705 0.432 -2.582 833 HE1 PHE 106 1HE PHE 106 -18.677 2.005 1.641 834 HE2 PHE 106 2HE PHE 106 -17.386 2.785 -2.347 835 HZ PHE 106 HZ PHE 106 -18.374 3.574 -0.233 836 H LYS 107 H LYS 107 -16.108 -4.366 0.635 837 HA LYS 107 HA LYS 107 -16.695 -6.082 -1.634 838 1HB LYS 107 2HB LYS 107 -14.368 -5.524 -0.434 839 2HB LYS 107 1HB LYS 107 -14.815 -6.943 0.502 840 1HG LYS 107 2HG LYS 107 -14.714 -8.350 -1.335 841 2HG LYS 107 1HG LYS 107 -14.879 -7.020 -2.485 842 1HD LYS 107 2HD LYS 107 -12.651 -6.258 -2.011 843 2HD LYS 107 1HD LYS 107 -12.483 -7.429 -0.700 844 1HE LYS 107 2HE LYS 107 -12.762 -9.246 -2.382 845 2HE LYS 107 1HE LYS 107 -12.736 -8.016 -3.647 846 1HZ LYS 107 1HZ LYS 107 -10.566 -9.184 -3.120 847 2HZ LYS 107 2HZ LYS 107 -10.535 -8.284 -1.688 848 3HZ LYS 107 3HZ LYS 107 -10.521 -7.494 -3.183 849 H SER 108 H SER 108 -17.208 -5.975 1.825 850 HA SER 108 HA SER 108 -17.874 -8.638 2.311 851 1HB SER 108 2HB SER 108 -17.554 -6.841 4.043 852 2HB SER 108 1HB SER 108 -19.160 -6.240 3.631 853 HG SER 108 HG SER 108 -20.056 -8.098 4.394 854 H MET 109 H MET 109 -19.783 -6.015 0.960 855 HA MET 109 HA MET 109 -22.148 -7.731 0.835 856 1HB MET 109 2HB MET 109 -21.753 -4.804 0.191 857 2HB MET 109 1HB MET 109 -23.276 -5.660 -0.006 858 1HG MET 109 2HG MET 109 -22.583 -6.238 2.586 859 2HG MET 109 1HG MET 109 -22.030 -4.575 2.388 860 1HE MET 109 1HE MET 109 -24.412 -5.476 4.486 861 2HE MET 109 2HE MET 109 -25.387 -4.023 4.262 862 3HE MET 109 3HE MET 109 -23.627 -3.906 4.310 Start of MODEL 4 1 1H MET -8 1HT MET -8 20.060 -6.280 11.417 2 2H MET -8 2HT MET -8 20.825 -7.628 12.155 3 3H MET -8 3HT MET -8 19.375 -6.991 12.817 4 HA MET -8 HA MET -8 18.709 -8.862 11.716 5 1HB MET -8 2HB MET -8 18.319 -6.279 10.271 6 2HB MET -8 1HB MET -8 17.723 -7.747 9.509 7 1HG MET -8 2HG MET -8 16.678 -8.119 11.916 8 2HG MET -8 1HG MET -8 16.792 -6.361 11.953 9 1HE MET -8 1HE MET -8 14.036 -5.632 11.771 10 2HE MET -8 2HE MET -8 14.275 -7.215 12.510 11 3HE MET -8 3HE MET -8 13.038 -6.998 11.272 12 H GLY -7 H GLY -7 18.429 -9.766 9.327 13 1HA GLY -7 2HA GLY -7 21.171 -10.063 8.279 14 2HA GLY -7 1HA GLY -7 19.929 -11.304 8.196 15 H HIS -6 H HIS -6 20.412 -7.920 7.177 16 HA HIS -6 HA HIS -6 18.635 -8.180 4.956 17 1HB HIS -6 2HB HIS -6 20.706 -6.044 5.515 18 2HB HIS -6 1HB HIS -6 19.390 -5.930 4.351 19 HD1 HIS -6 1HD HIS -6 19.618 -3.854 6.576 20 HD2 HIS -6 2HD HIS -6 17.367 -7.332 6.891 21 HE1 HIS -6 1HE HIS -6 17.892 -3.380 8.344 22 HE2 HIS -6 2HE HIS -6 16.488 -5.470 8.455 23 H HIS -5 H HIS -5 19.152 -9.530 3.350 24 HA HIS -5 HA HIS -5 21.808 -9.232 2.119 25 1HB HIS -5 2HB HIS -5 21.245 -11.430 3.492 26 2HB HIS -5 1HB HIS -5 20.424 -11.874 1.999 27 HD1 HIS -5 1HD HIS -5 23.796 -10.184 2.530 28 HD2 HIS -5 2HD HIS -5 22.133 -13.544 0.738 29 HE1 HIS -5 1HE HIS -5 25.700 -11.331 1.357 30 HE2 HIS -5 2HE HIS -5 24.689 -13.414 0.362 31 H HIS -4 H HIS -4 18.467 -10.337 1.640 32 HA HIS -4 HA HIS -4 18.532 -9.184 -1.045 33 1HB HIS -4 2HB HIS -4 17.673 -12.019 -0.437 34 2HB HIS -4 1HB HIS -4 17.386 -11.198 -1.968 35 HD1 HIS -4 1HD HIS -4 19.326 -11.050 -3.603 36 HD2 HIS -4 2HD HIS -4 20.391 -12.691 0.064 37 HE1 HIS -4 1HE HIS -4 21.640 -11.981 -3.930 38 HE2 HIS -4 2HE HIS -4 22.231 -13.041 -1.722 39 H HIS -3 H HIS -3 16.703 -8.138 -1.568 40 HA HIS -3 HA HIS -3 14.327 -8.592 0.114 41 1HB HIS -3 2HB HIS -3 15.705 -6.046 -0.618 42 2HB HIS -3 1HB HIS -3 13.953 -6.032 -0.457 43 HD1 HIS -3 1HD HIS -3 13.536 -7.770 1.985 44 HD2 HIS -3 2HD HIS -3 16.566 -4.942 1.698 45 HE1 HIS -3 1HE HIS -3 14.143 -7.193 4.356 46 HE2 HIS -3 2HE HIS -3 15.914 -5.413 4.156 47 H HIS -2 H HIS -2 12.427 -7.208 -1.035 48 HA HIS -2 HA HIS -2 12.287 -8.306 -3.755 49 1HB HIS -2 2HB HIS -2 10.549 -8.648 -1.702 50 2HB HIS -2 1HB HIS -2 9.829 -7.251 -2.496 51 HD1 HIS -2 1HD HIS -2 11.527 -10.060 -4.350 52 HD2 HIS -2 2HD HIS -2 7.708 -8.585 -3.641 53 HE1 HIS -2 1HE HIS -2 10.012 -11.339 -5.899 54 HE2 HIS -2 2HE HIS -2 7.695 -10.498 -5.380 55 H HIS -1 H HIS -1 11.071 -7.035 -5.367 56 HA HIS -1 HA HIS -1 11.874 -4.232 -5.218 57 1HB HIS -1 2HB HIS -1 11.213 -4.255 -7.674 58 2HB HIS -1 1HB HIS -1 12.580 -5.272 -7.230 59 HD1 HIS -1 1HD HIS -1 12.379 -7.746 -7.677 60 HD2 HIS -1 2HD HIS -1 8.801 -5.710 -8.234 61 HE1 HIS -1 1HE HIS -1 10.821 -9.407 -8.744 62 HE2 HIS -1 2HE HIS -1 8.634 -8.180 -8.986 63 H MET 0 H MET 0 9.020 -6.236 -5.383 64 HA MET 0 HA MET 0 7.337 -3.820 -5.399 65 1HB MET 0 2HB MET 0 7.107 -5.746 -7.165 66 2HB MET 0 1HB MET 0 6.249 -6.570 -5.872 67 1HG MET 0 2HG MET 0 4.596 -5.518 -7.148 68 2HG MET 0 1HG MET 0 4.787 -4.515 -5.712 69 1HE MET 0 1HE MET 0 3.332 -3.178 -8.414 70 2HE MET 0 2HE MET 0 4.110 -4.594 -9.122 71 3HE MET 0 3HE MET 0 4.482 -2.982 -9.736 72 H GLY 1 H GLY 1 7.151 -3.280 -3.281 73 1HA GLY 1 2HA GLY 1 5.689 -5.164 -1.590 74 2HA GLY 1 1HA GLY 1 7.236 -4.587 -0.987 75 H SER 2 H SER 2 7.472 -2.361 -0.470 76 HA SER 2 HA SER 2 5.197 -1.227 0.760 77 1HB SER 2 2HB SER 2 7.504 -0.840 1.561 78 2HB SER 2 1HB SER 2 7.842 0.094 0.103 79 HG SER 2 HG SER 2 5.929 0.708 2.107 80 H ALA 3 H ALA 3 6.882 -0.527 -2.265 81 HA ALA 3 HA ALA 3 4.961 1.580 -2.894 82 1HB ALA 3 1HB ALA 3 7.000 0.856 -4.891 83 2HB ALA 3 2HB ALA 3 7.615 1.450 -3.349 84 3HB ALA 3 3HB ALA 3 6.502 2.439 -4.296 85 H GLY 4 H GLY 4 4.447 -1.448 -2.874 86 1HA GLY 4 2HA GLY 4 3.427 -1.632 -5.640 87 2HA GLY 4 1HA GLY 4 3.932 -3.024 -4.695 88 H THR 5 H THR 5 2.689 -2.124 -2.238 89 HA THR 5 HA THR 5 0.092 -3.209 -2.660 90 HB THR 5 HB THR 5 1.187 -3.633 -0.569 91 HG1 THR 5 1HG THR 5 -0.889 -1.777 -0.048 92 1HG2 THR 5 1HG2 THR 5 2.638 -1.793 -0.265 93 2HG2 THR 5 2HG2 THR 5 1.509 -1.787 1.090 94 3HG2 THR 5 3HG2 THR 5 1.294 -0.651 -0.241 95 H GLN 6 H GLN 6 1.342 0.045 -2.109 96 HA GLN 6 HA GLN 6 -1.132 1.343 -1.777 97 1HB GLN 6 2HB GLN 6 1.625 2.220 -2.530 98 2HB GLN 6 1HB GLN 6 0.293 3.352 -2.714 99 1HG GLN 6 2HG GLN 6 -0.266 2.819 -0.284 100 2HG GLN 6 1HG GLN 6 1.334 2.082 -0.209 101 1HE2 GLN 6 1HE2 GLN 6 -0.456 5.033 -0.478 102 2HE2 GLN 6 2HE2 GLN 6 0.873 6.107 -0.228 103 H GLU 7 H GLU 7 0.672 0.400 -4.626 104 HA GLU 7 HA GLU 7 -0.687 1.971 -6.521 105 1HB GLU 7 2HB GLU 7 1.468 0.639 -6.822 106 2HB GLU 7 1HB GLU 7 0.443 -0.770 -7.060 107 1HG GLU 7 2HG GLU 7 -0.655 1.047 -8.783 108 2HG GLU 7 1HG GLU 7 1.064 1.428 -8.869 109 H GLU 8 H GLU 8 -1.285 -1.354 -5.402 110 HA GLU 8 HA GLU 8 -3.468 -1.853 -7.103 111 1HB GLU 8 2HB GLU 8 -3.939 -3.758 -5.712 112 2HB GLU 8 1HB GLU 8 -2.196 -3.604 -5.880 113 1HG GLU 8 2HG GLU 8 -1.896 -3.339 -3.691 114 2HG GLU 8 1HG GLU 8 -3.246 -2.217 -3.545 115 H LEU 9 H LEU 9 -3.231 -0.238 -4.014 116 HA LEU 9 HA LEU 9 -5.992 -0.268 -3.377 117 1HB LEU 9 2HB LEU 9 -3.718 1.505 -2.513 118 2HB LEU 9 1HB LEU 9 -5.350 1.715 -1.913 119 HG LEU 9 HG LEU 9 -3.648 -0.753 -1.560 120 1HD1 LEU 9 1HD1 LEU 9 -4.610 0.815 0.744 121 2HD1 LEU 9 2HD1 LEU 9 -3.346 1.562 -0.235 122 3HD1 LEU 9 3HD1 LEU 9 -3.076 -0.020 0.494 123 1HD2 LEU 9 1HD2 LEU 9 -5.671 -1.028 0.188 124 2HD2 LEU 9 2HD2 LEU 9 -5.685 -1.720 -1.433 125 3HD2 LEU 9 3HD2 LEU 9 -6.510 -0.193 -1.119 126 H LEU 10 H LEU 10 -3.923 2.096 -5.018 127 HA LEU 10 HA LEU 10 -5.892 4.076 -5.372 128 1HB LEU 10 2HB LEU 10 -3.263 3.455 -6.629 129 2HB LEU 10 1HB LEU 10 -4.310 4.610 -7.429 130 HG LEU 10 HG LEU 10 -4.368 5.619 -4.933 131 1HD1 LEU 10 1HD1 LEU 10 -1.839 4.048 -5.180 132 2HD1 LEU 10 2HD1 LEU 10 -2.913 4.235 -3.794 133 3HD1 LEU 10 3HD1 LEU 10 -1.859 5.564 -4.278 134 1HD2 LEU 10 1HD2 LEU 10 -3.833 7.179 -6.483 135 2HD2 LEU 10 2HD2 LEU 10 -2.717 6.110 -7.334 136 3HD2 LEU 10 3HD2 LEU 10 -2.209 6.912 -5.848 137 H ARG 11 H ARG 11 -5.032 1.235 -7.242 138 HA ARG 11 HA ARG 11 -6.505 1.860 -9.570 139 1HB ARG 11 2HB ARG 11 -5.832 -0.873 -8.463 140 2HB ARG 11 1HB ARG 11 -6.298 -0.508 -10.119 141 1HG ARG 11 2HG ARG 11 -3.949 0.929 -9.042 142 2HG ARG 11 1HG ARG 11 -3.766 -0.798 -9.361 143 1HD ARG 11 2HD ARG 11 -3.267 -0.113 -11.443 144 2HD ARG 11 1HD ARG 11 -5.018 -0.003 -11.621 145 HE ARG 11 HE ARG 11 -4.353 2.431 -10.663 146 1HH1 ARG 11 1HH1 ARG 11 -3.158 0.525 -13.331 147 2HH1 ARG 11 2HH1 ARG 11 -2.731 1.905 -14.287 148 1HH2 ARG 11 1HH2 ARG 11 -3.794 4.246 -11.919 149 2HH2 ARG 11 2HH2 ARG 11 -3.091 4.017 -13.486 150 H TRP 12 H TRP 12 -7.333 0.035 -6.646 151 HA TRP 12 HA TRP 12 -9.937 -0.696 -7.494 152 1HB TRP 12 2HB TRP 12 -8.734 -1.865 -5.683 153 2HB TRP 12 1HB TRP 12 -8.854 -0.422 -4.681 154 HD1 TRP 12 HD TRP 12 -10.870 -3.404 -5.883 155 HE1 TRP 12 1HE TRP 12 -13.109 -3.471 -4.617 156 HE3 TRP 12 3HE TRP 12 -10.621 1.138 -3.550 157 HZ2 TRP 12 2HZ TRP 12 -14.575 -1.819 -2.859 158 HZ3 TRP 12 3HZ TRP 12 -12.483 1.820 -2.093 159 HH2 TRP 12 HH TRP 12 -14.419 0.371 -1.757 160 H CYS 13 H CYS 13 -8.662 2.017 -5.635 161 HA CYS 13 HA CYS 13 -11.156 3.136 -4.918 162 1HB CYS 13 2HB CYS 13 -8.619 3.648 -4.182 163 2HB CYS 13 1HB CYS 13 -8.854 4.961 -5.331 164 HG CYS 13 HG CYS 13 -11.144 5.202 -3.586 165 H GLN 14 H GLN 14 -8.955 3.754 -7.627 166 HA GLN 14 HA GLN 14 -10.373 5.878 -8.777 167 1HB GLN 14 2HB GLN 14 -8.038 5.141 -9.357 168 2HB GLN 14 1HB GLN 14 -8.748 3.816 -10.268 169 1HG GLN 14 2HG GLN 14 -10.071 6.010 -11.251 170 2HG GLN 14 1HG GLN 14 -8.441 6.619 -10.974 171 1HE2 GLN 14 1HE2 GLN 14 -10.263 5.572 -13.325 172 2HE2 GLN 14 2HE2 GLN 14 -9.130 4.689 -14.286 173 H GLU 15 H GLU 15 -10.646 2.381 -9.239 174 HA GLU 15 HA GLU 15 -12.534 2.492 -11.343 175 1HB GLU 15 2HB GLU 15 -11.294 0.458 -9.692 176 2HB GLU 15 1HB GLU 15 -12.998 0.109 -9.941 177 1HG GLU 15 2HG GLU 15 -11.192 0.797 -12.229 178 2HG GLU 15 1HG GLU 15 -11.309 -0.845 -11.602 179 H GLN 16 H GLN 16 -12.881 2.138 -7.831 180 HA GLN 16 HA GLN 16 -15.706 1.939 -7.837 181 1HB GLN 16 2HB GLN 16 -13.653 2.568 -5.741 182 2HB GLN 16 1HB GLN 16 -15.365 2.730 -5.379 183 1HG GLN 16 2HG GLN 16 -13.960 0.229 -6.284 184 2HG GLN 16 1HG GLN 16 -14.544 0.577 -4.658 185 1HE2 GLN 16 1HE2 GLN 16 -16.996 1.512 -4.968 186 2HE2 GLN 16 2HE2 GLN 16 -18.021 0.372 -5.763 187 H THR 17 H THR 17 -13.485 4.638 -7.814 188 HA THR 17 HA THR 17 -15.593 6.560 -7.273 189 HB THR 17 HB THR 17 -12.685 7.013 -7.969 190 HG1 THR 17 1HG THR 17 -14.030 6.736 -5.502 191 1HG2 THR 17 1HG2 THR 17 -13.179 9.164 -8.057 192 2HG2 THR 17 2HG2 THR 17 -13.644 9.077 -6.358 193 3HG2 THR 17 3HG2 THR 17 -14.858 8.852 -7.619 194 H ALA 18 H ALA 18 -14.989 4.823 -9.894 195 HA ALA 18 HA ALA 18 -14.821 6.854 -11.916 196 1HB ALA 18 1HB ALA 18 -15.330 4.920 -13.457 197 2HB ALA 18 2HB ALA 18 -15.350 3.894 -12.022 198 3HB ALA 18 3HB ALA 18 -13.877 4.756 -12.470 199 H GLY 19 H GLY 19 -16.438 8.005 -12.742 200 1HA GLY 19 2HA GLY 19 -18.844 7.380 -13.665 201 2HA GLY 19 1HA GLY 19 -19.170 7.368 -11.939 202 H TYR 20 H TYR 20 -17.210 9.550 -11.479 203 HA TYR 20 HA TYR 20 -19.022 11.739 -12.079 204 1HB TYR 20 2HB TYR 20 -16.455 11.819 -10.490 205 2HB TYR 20 1HB TYR 20 -17.742 13.019 -10.489 206 HD1 TYR 20 1HD TYR 20 -19.585 12.816 -9.026 207 HD2 TYR 20 2HD TYR 20 -16.920 9.536 -9.517 208 HE1 TYR 20 1HE TYR 20 -20.656 11.671 -7.134 209 HE2 TYR 20 2HE TYR 20 -17.985 8.382 -7.625 210 HH TYR 20 HH TYR 20 -20.626 8.681 -6.536 211 HA PRO 21 HA PRO 21 -16.556 12.836 -15.666 212 1HB PRO 21 2HB PRO 21 -18.159 15.308 -15.645 213 2HB PRO 21 1HB PRO 21 -18.023 14.068 -16.893 214 1HG PRO 21 2HG PRO 21 -20.247 14.345 -15.417 215 2HG PRO 21 1HG PRO 21 -19.676 12.757 -15.959 216 1HD PRO 21 2HD PRO 21 -19.414 14.051 -13.270 217 2HD PRO 21 1HD PRO 21 -19.794 12.363 -13.679 218 H GLY 22 H GLY 22 -14.881 13.156 -13.777 219 1HA GLY 22 2HA GLY 22 -13.259 15.236 -14.225 220 2HA GLY 22 1HA GLY 22 -14.420 15.950 -13.121 221 H VAL 23 H VAL 23 -14.738 13.343 -11.696 222 HA VAL 23 HA VAL 23 -12.601 13.758 -9.817 223 HB VAL 23 HB VAL 23 -14.664 11.558 -9.766 224 1HG1 VAL 23 1HG1 VAL 23 -12.593 11.502 -8.262 225 2HG1 VAL 23 2HG1 VAL 23 -14.172 11.320 -7.494 226 3HG1 VAL 23 3HG1 VAL 23 -13.330 12.868 -7.422 227 1HG2 VAL 23 1HG2 VAL 23 -15.627 13.882 -9.980 228 2HG2 VAL 23 2HG2 VAL 23 -14.893 14.239 -8.417 229 3HG2 VAL 23 3HG2 VAL 23 -16.119 12.979 -8.548 230 H HIS 24 H HIS 24 -10.699 12.794 -9.825 231 HA HIS 24 HA HIS 24 -10.452 10.112 -10.997 232 1HB HIS 24 2HB HIS 24 -9.347 12.493 -12.073 233 2HB HIS 24 1HB HIS 24 -8.012 11.567 -11.395 234 HD1 HIS 24 1HD HIS 24 -10.683 11.385 -14.030 235 HD2 HIS 24 2HD HIS 24 -7.337 9.260 -12.782 236 HE1 HIS 24 1HE HIS 24 -10.247 9.694 -15.839 237 HE2 HIS 24 2HE HIS 24 -8.179 8.464 -15.095 238 H VAL 25 H VAL 25 -9.775 8.766 -9.472 239 HA VAL 25 HA VAL 25 -8.270 9.817 -7.197 240 HB VAL 25 HB VAL 25 -9.408 7.042 -7.509 241 1HG1 VAL 25 1HG1 VAL 25 -9.357 7.231 -4.960 242 2HG1 VAL 25 2HG1 VAL 25 -8.288 8.612 -5.210 243 3HG1 VAL 25 3HG1 VAL 25 -7.815 7.016 -5.792 244 1HG2 VAL 25 1HG2 VAL 25 -10.665 9.521 -6.350 245 2HG2 VAL 25 2HG2 VAL 25 -11.260 7.888 -6.056 246 3HG2 VAL 25 3HG2 VAL 25 -11.255 8.544 -7.694 247 H SER 26 H SER 26 -6.215 10.035 -8.143 248 HA SER 26 HA SER 26 -4.746 7.530 -8.295 249 1HB SER 26 2HB SER 26 -5.548 8.555 -10.649 250 2HB SER 26 1HB SER 26 -4.059 9.476 -10.430 251 HG SER 26 HG SER 26 -4.413 6.824 -11.018 252 H ASP 27 H ASP 27 -5.003 10.060 -6.624 253 HA ASP 27 HA ASP 27 -2.123 10.508 -6.353 254 1HB ASP 27 2HB ASP 27 -4.101 12.782 -6.167 255 2HB ASP 27 1HB ASP 27 -2.343 12.879 -6.173 256 H LEU 28 H LEU 28 -1.419 10.719 -4.259 257 HA LEU 28 HA LEU 28 -3.412 10.142 -2.204 258 1HB LEU 28 2HB LEU 28 -0.678 9.390 -2.669 259 2HB LEU 28 1HB LEU 28 -0.820 10.134 -1.089 260 HG LEU 28 HG LEU 28 -2.943 8.412 -1.068 261 1HD1 LEU 28 1HD1 LEU 28 -2.523 6.450 -2.151 262 2HD1 LEU 28 2HD1 LEU 28 -0.778 6.708 -2.181 263 3HD1 LEU 28 3HD1 LEU 28 -1.819 7.583 -3.304 264 1HD2 LEU 28 1HD2 LEU 28 -1.078 6.883 0.088 265 2HD2 LEU 28 2HD2 LEU 28 -1.729 8.339 0.841 266 3HD2 LEU 28 3HD2 LEU 28 -0.184 8.401 -0.006 267 H SER 29 H SER 29 -3.349 12.792 -3.232 268 HA SER 29 HA SER 29 -3.053 14.222 -0.757 269 1HB SER 29 2HB SER 29 -1.178 14.722 -3.055 270 2HB SER 29 1HB SER 29 -1.583 16.005 -1.916 271 HG SER 29 HG SER 29 -0.257 13.562 -1.428 272 H SER 30 H SER 30 -2.871 15.453 -4.078 273 HA SER 30 HA SER 30 -4.851 17.394 -3.712 274 1HB SER 30 2HB SER 30 -3.579 16.162 -6.136 275 2HB SER 30 1HB SER 30 -4.915 17.299 -6.319 276 HG SER 30 HG SER 30 -2.478 17.789 -4.947 277 H SER 31 H SER 31 -5.060 14.110 -4.988 278 HA SER 31 HA SER 31 -7.618 14.124 -6.026 279 1HB SER 31 2HB SER 31 -5.991 12.219 -6.133 280 2HB SER 31 1HB SER 31 -6.412 11.835 -4.464 281 HG SER 31 HG SER 31 -8.080 11.768 -6.750 282 H TRP 32 H TRP 32 -6.617 14.104 -2.683 283 HA TRP 32 HA TRP 32 -9.433 13.856 -1.857 284 1HB TRP 32 2HB TRP 32 -7.015 13.532 -0.081 285 2HB TRP 32 1HB TRP 32 -8.678 13.075 0.270 286 HD1 TRP 32 HD TRP 32 -5.913 12.080 -2.272 287 HE1 TRP 32 1HE TRP 32 -6.122 9.554 -2.715 288 HE3 TRP 32 3HE TRP 32 -10.037 11.094 0.582 289 HZ2 TRP 32 2HZ TRP 32 -7.812 7.423 -1.954 290 HZ3 TRP 32 3HZ TRP 32 -10.886 8.786 0.672 291 HH2 TRP 32 HH TRP 32 -9.795 6.990 -0.572 292 H ALA 33 H ALA 33 -7.573 16.262 -2.679 293 HA ALA 33 HA ALA 33 -7.264 17.955 -0.492 294 1HB ALA 33 1HB ALA 33 -7.776 18.595 -3.389 295 2HB ALA 33 2HB ALA 33 -6.220 18.503 -2.564 296 3HB ALA 33 3HB ALA 33 -7.350 19.802 -2.177 297 H ASP 34 H ASP 34 -9.949 17.940 -2.849 298 HA ASP 34 HA ASP 34 -11.544 19.578 -1.052 299 1HB ASP 34 2HB ASP 34 -13.220 19.480 -2.942 300 2HB ASP 34 1HB ASP 34 -11.674 20.222 -3.344 301 H GLY 35 H GLY 35 -10.854 16.463 -0.934 302 1HA GLY 35 2HA GLY 35 -11.883 14.653 0.029 303 2HA GLY 35 1HA GLY 35 -13.145 15.757 0.555 304 H LEU 36 H LEU 36 -12.265 15.213 -2.801 305 HA LEU 36 HA LEU 36 -14.975 14.596 -3.478 306 1HB LEU 36 2HB LEU 36 -12.501 15.213 -4.877 307 2HB LEU 36 1HB LEU 36 -13.411 13.946 -5.680 308 HG LEU 36 HG LEU 36 -13.899 16.235 -6.523 309 1HD1 LEU 36 1HD1 LEU 36 -15.527 14.201 -6.427 310 2HD1 LEU 36 2HD1 LEU 36 -16.125 15.794 -6.896 311 3HD1 LEU 36 3HD1 LEU 36 -16.394 15.197 -5.257 312 1HD2 LEU 36 1HD2 LEU 36 -14.113 16.807 -3.756 313 2HD2 LEU 36 2HD2 LEU 36 -15.699 17.070 -4.482 314 3HD2 LEU 36 3HD2 LEU 36 -14.287 17.909 -5.121 315 H ALA 37 H ALA 37 -12.010 12.745 -3.077 316 HA ALA 37 HA ALA 37 -12.915 10.327 -4.201 317 1HB ALA 37 1HB ALA 37 -11.027 10.059 -1.979 318 2HB ALA 37 2HB ALA 37 -10.538 11.218 -3.215 319 3HB ALA 37 3HB ALA 37 -10.884 9.548 -3.661 320 H LEU 38 H LEU 38 -12.900 11.481 -0.837 321 HA LEU 38 HA LEU 38 -14.055 9.153 0.269 322 1HB LEU 38 2HB LEU 38 -12.995 11.502 1.255 323 2HB LEU 38 1HB LEU 38 -14.693 11.640 1.667 324 HG LEU 38 HG LEU 38 -14.325 9.184 2.581 325 1HD1 LEU 38 1HD1 LEU 38 -11.926 9.462 3.728 326 2HD1 LEU 38 2HD1 LEU 38 -11.604 10.263 2.191 327 3HD1 LEU 38 3HD1 LEU 38 -12.174 8.593 2.212 328 1HD2 LEU 38 1HD2 LEU 38 -13.948 10.122 4.774 329 2HD2 LEU 38 2HD2 LEU 38 -15.044 11.165 3.867 330 3HD2 LEU 38 3HD2 LEU 38 -13.352 11.621 4.064 331 H CYS 39 H CYS 39 -15.466 12.232 -0.789 332 HA CYS 39 HA CYS 39 -18.129 11.570 -0.086 333 1HB CYS 39 2HB CYS 39 -16.782 13.819 -1.102 334 2HB CYS 39 1HB CYS 39 -18.004 13.418 -2.302 335 HG CYS 39 HG CYS 39 -19.623 14.516 -0.847 336 H ALA 40 H ALA 40 -16.238 11.198 -3.039 337 HA ALA 40 HA ALA 40 -18.284 10.473 -4.795 338 1HB ALA 40 1HB ALA 40 -15.388 9.640 -4.732 339 2HB ALA 40 2HB ALA 40 -16.102 10.975 -5.637 340 3HB ALA 40 3HB ALA 40 -16.484 9.310 -6.074 341 H LEU 41 H LEU 41 -16.429 8.529 -2.501 342 HA LEU 41 HA LEU 41 -17.479 6.023 -3.332 343 1HB LEU 41 2HB LEU 41 -15.793 7.036 -1.147 344 2HB LEU 41 1HB LEU 41 -16.748 5.626 -0.728 345 HG LEU 41 HG LEU 41 -15.762 4.656 -2.959 346 1HD1 LEU 41 1HD1 LEU 41 -14.627 7.066 -3.183 347 2HD1 LEU 41 2HD1 LEU 41 -13.895 5.595 -3.824 348 3HD1 LEU 41 3HD1 LEU 41 -13.364 6.240 -2.271 349 1HD2 LEU 41 1HD2 LEU 41 -13.750 3.885 -1.624 350 2HD2 LEU 41 2HD2 LEU 41 -15.333 3.580 -0.906 351 3HD2 LEU 41 3HD2 LEU 41 -14.341 4.919 -0.323 352 H VAL 42 H VAL 42 -18.242 8.149 -0.578 353 HA VAL 42 HA VAL 42 -20.308 6.594 0.495 354 HB VAL 42 HB VAL 42 -20.110 9.605 0.603 355 1HG1 VAL 42 1HG1 VAL 42 -21.677 9.583 2.220 356 2HG1 VAL 42 2HG1 VAL 42 -21.102 8.062 2.903 357 3HG1 VAL 42 3HG1 VAL 42 -22.141 8.051 1.479 358 1HG2 VAL 42 1HG2 VAL 42 -18.149 7.867 1.393 359 2HG2 VAL 42 2HG2 VAL 42 -19.080 8.080 2.875 360 3HG2 VAL 42 3HG2 VAL 42 -18.404 9.484 2.050 361 H TYR 43 H TYR 43 -20.462 9.352 -1.750 362 HA TYR 43 HA TYR 43 -23.224 9.466 -2.054 363 1HB TYR 43 2HB TYR 43 -21.687 11.192 -2.893 364 2HB TYR 43 1HB TYR 43 -21.104 10.076 -4.125 365 HD1 TYR 43 1HD TYR 43 -22.061 10.152 -6.231 366 HD2 TYR 43 2HD TYR 43 -24.285 11.615 -2.913 367 HE1 TYR 43 1HE TYR 43 -23.830 10.913 -7.759 368 HE2 TYR 43 2HE TYR 43 -26.062 12.378 -4.431 369 HH TYR 43 HH TYR 43 -26.174 11.467 -7.733 370 H ARG 44 H ARG 44 -20.846 7.435 -3.676 371 HA ARG 44 HA ARG 44 -22.531 6.386 -5.667 372 1HB ARG 44 2HB ARG 44 -20.054 6.188 -5.654 373 2HB ARG 44 1HB ARG 44 -20.178 5.034 -4.333 374 1HG ARG 44 2HG ARG 44 -20.011 3.599 -6.088 375 2HG ARG 44 1HG ARG 44 -21.765 3.786 -6.025 376 1HD ARG 44 2HD ARG 44 -21.271 5.793 -7.657 377 2HD ARG 44 1HD ARG 44 -19.802 4.875 -7.983 378 HE ARG 44 HE ARG 44 -22.204 3.304 -8.141 379 1HH1 ARG 44 1HH1 ARG 44 -20.053 5.421 -9.892 380 2HH1 ARG 44 2HH1 ARG 44 -20.503 4.800 -11.444 381 1HH2 ARG 44 1HH2 ARG 44 -22.795 2.484 -10.180 382 2HH2 ARG 44 2HH2 ARG 44 -22.059 3.133 -11.609 383 H LEU 45 H LEU 45 -21.845 5.323 -2.363 384 HA LEU 45 HA LEU 45 -23.431 2.953 -2.551 385 1HB LEU 45 2HB LEU 45 -21.985 4.406 -0.405 386 2HB LEU 45 1HB LEU 45 -23.277 3.334 0.094 387 HG LEU 45 HG LEU 45 -21.002 2.303 0.118 388 1HD1 LEU 45 1HD1 LEU 45 -22.633 0.844 -1.906 389 2HD1 LEU 45 2HD1 LEU 45 -23.296 1.124 -0.295 390 3HD1 LEU 45 3HD1 LEU 45 -21.787 0.231 -0.485 391 1HD2 LEU 45 1HD2 LEU 45 -20.255 3.490 -1.974 392 2HD2 LEU 45 2HD2 LEU 45 -21.225 2.330 -2.882 393 3HD2 LEU 45 3HD2 LEU 45 -19.874 1.770 -1.895 394 H GLN 46 H GLN 46 -23.961 6.235 -1.390 395 HA GLN 46 HA GLN 46 -26.843 5.689 -1.348 396 1HB GLN 46 2HB GLN 46 -25.162 6.496 0.913 397 2HB GLN 46 1HB GLN 46 -26.555 7.542 0.667 398 1HG GLN 46 2HG GLN 46 -27.968 6.018 1.450 399 2HG GLN 46 1HG GLN 46 -27.242 4.728 0.493 400 1HE2 GLN 46 1HE2 GLN 46 -28.076 5.294 3.456 401 2HE2 GLN 46 2HE2 GLN 46 -26.776 4.585 4.346 402 HA PRO 47 HA PRO 47 -25.711 9.484 -3.817 403 1HB PRO 47 2HB PRO 47 -27.376 8.890 -5.894 404 2HB PRO 47 1HB PRO 47 -25.700 8.339 -5.804 405 1HG PRO 47 2HG PRO 47 -28.218 6.866 -5.133 406 2HG PRO 47 1HG PRO 47 -26.784 6.293 -6.005 407 1HD PRO 47 2HD PRO 47 -27.220 5.697 -3.410 408 2HD PRO 47 1HD PRO 47 -25.586 5.942 -4.061 409 H GLY 48 H GLY 48 -28.718 7.931 -2.914 410 1HA GLY 48 2HA GLY 48 -30.284 10.337 -3.329 411 2HA GLY 48 1HA GLY 48 -30.867 8.806 -2.694 412 H LEU 49 H LEU 49 -28.133 9.481 -0.993 413 HA LEU 49 HA LEU 49 -29.558 11.092 1.014 414 1HB LEU 49 2HB LEU 49 -28.273 8.427 1.314 415 2HB LEU 49 1HB LEU 49 -28.102 9.564 2.638 416 HG LEU 49 HG LEU 49 -30.760 8.721 1.488 417 1HD1 LEU 49 1HD1 LEU 49 -29.486 6.843 2.522 418 2HD1 LEU 49 2HD1 LEU 49 -31.000 7.231 3.338 419 3HD1 LEU 49 3HD1 LEU 49 -29.466 7.757 4.030 420 1HD2 LEU 49 1HD2 LEU 49 -30.282 10.944 2.868 421 2HD2 LEU 49 2HD2 LEU 49 -30.418 9.819 4.220 422 3HD2 LEU 49 3HD2 LEU 49 -31.755 9.997 3.085 423 H LEU 50 H LEU 50 -27.525 11.797 -0.989 424 HA LEU 50 HA LEU 50 -25.682 13.114 0.822 425 1HB LEU 50 2HB LEU 50 -24.896 10.943 -1.027 426 2HB LEU 50 1HB LEU 50 -23.862 12.358 -1.018 427 HG LEU 50 HG LEU 50 -24.265 11.744 1.684 428 1HD1 LEU 50 1HD1 LEU 50 -23.398 9.232 0.305 429 2HD1 LEU 50 2HD1 LEU 50 -25.093 9.519 0.700 430 3HD1 LEU 50 3HD1 LEU 50 -23.883 9.472 1.983 431 1HD2 LEU 50 1HD2 LEU 50 -21.831 10.726 0.360 432 2HD2 LEU 50 2HD2 LEU 50 -22.009 11.807 1.743 433 3HD2 LEU 50 3HD2 LEU 50 -22.208 12.431 0.105 434 H GLU 51 H GLU 51 -24.076 14.477 -0.608 435 HA GLU 51 HA GLU 51 -25.068 15.374 -3.135 436 1HB GLU 51 2HB GLU 51 -25.629 16.965 -0.652 437 2HB GLU 51 1HB GLU 51 -25.366 17.786 -2.184 438 1HG GLU 51 2HG GLU 51 -27.179 16.128 -3.057 439 2HG GLU 51 1HG GLU 51 -27.598 15.998 -1.349 440 HA PRO 52 HA PRO 52 -20.523 15.972 -1.957 441 1HB PRO 52 2HB PRO 52 -19.653 14.821 -4.314 442 2HB PRO 52 1HB PRO 52 -19.822 13.968 -2.778 443 1HG PRO 52 2HG PRO 52 -21.698 14.068 -5.103 444 2HG PRO 52 1HG PRO 52 -21.251 12.689 -4.084 445 1HD PRO 52 2HD PRO 52 -23.580 13.958 -3.747 446 2HD PRO 52 1HD PRO 52 -22.656 13.350 -2.356 447 H SER 53 H SER 53 -22.308 16.405 -4.983 448 HA SER 53 HA SER 53 -20.578 18.106 -6.316 449 1HB SER 53 2HB SER 53 -23.552 18.533 -6.408 450 2HB SER 53 1HB SER 53 -22.375 18.661 -7.714 451 HG SER 53 HG SER 53 -22.915 16.684 -8.149 452 H GLU 54 H GLU 54 -22.862 18.831 -3.745 453 HA GLU 54 HA GLU 54 -22.659 21.662 -3.972 454 1HB GLU 54 2HB GLU 54 -24.472 20.201 -2.801 455 2HB GLU 54 1HB GLU 54 -23.390 20.274 -1.417 456 1HG GLU 54 2HG GLU 54 -23.776 22.483 -1.052 457 2HG GLU 54 1HG GLU 54 -24.079 22.827 -2.754 458 H LEU 55 H LEU 55 -21.213 19.318 -1.719 459 HA LEU 55 HA LEU 55 -19.572 21.338 -0.484 460 1HB LEU 55 2HB LEU 55 -19.253 18.372 -0.146 461 2HB LEU 55 1HB LEU 55 -18.832 19.647 0.981 462 HG LEU 55 HG LEU 55 -21.698 19.268 0.225 463 1HD1 LEU 55 1HD1 LEU 55 -21.102 17.036 0.772 464 2HD1 LEU 55 2HD1 LEU 55 -21.885 17.723 2.196 465 3HD1 LEU 55 3HD1 LEU 55 -20.129 17.563 2.145 466 1HD2 LEU 55 1HD2 LEU 55 -20.518 19.961 2.894 467 2HD2 LEU 55 2HD2 LEU 55 -22.133 20.302 2.276 468 3HD2 LEU 55 3HD2 LEU 55 -20.742 21.178 1.638 469 H GLN 56 H GLN 56 -19.302 19.541 -3.308 470 HA GLN 56 HA GLN 56 -16.604 18.823 -3.356 471 1HB GLN 56 2HB GLN 56 -18.195 18.024 -5.017 472 2HB GLN 56 1HB GLN 56 -18.407 19.659 -5.630 473 1HG GLN 56 2HG GLN 56 -15.665 19.193 -5.764 474 2HG GLN 56 1HG GLN 56 -16.415 17.686 -6.289 475 1HE2 GLN 56 1HE2 GLN 56 -16.321 21.158 -6.851 476 2HE2 GLN 56 2HE2 GLN 56 -16.801 21.090 -8.508 477 H GLY 57 H GLY 57 -18.155 21.912 -3.978 478 1HA GLY 57 2HA GLY 57 -15.465 23.065 -4.392 479 2HA GLY 57 1HA GLY 57 -16.897 23.667 -5.212 480 H LEU 58 H LEU 58 -18.450 23.269 -2.636 481 HA LEU 58 HA LEU 58 -18.351 25.886 -1.703 482 1HB LEU 58 2HB LEU 58 -19.670 23.406 -0.940 483 2HB LEU 58 1HB LEU 58 -19.313 24.421 0.445 484 HG LEU 58 HG LEU 58 -20.421 26.309 -0.925 485 1HD1 LEU 58 1HD1 LEU 58 -21.617 25.837 -2.773 486 2HD1 LEU 58 2HD1 LEU 58 -22.086 24.237 -2.194 487 3HD1 LEU 58 3HD1 LEU 58 -20.489 24.487 -2.903 488 1HD2 LEU 58 1HD2 LEU 58 -22.030 24.023 0.204 489 2HD2 LEU 58 2HD2 LEU 58 -22.642 25.650 -0.094 490 3HD2 LEU 58 3HD2 LEU 58 -21.375 25.391 1.105 491 H GLY 59 H GLY 59 -16.618 23.027 -0.623 492 1HA GLY 59 2HA GLY 59 -14.475 24.415 0.473 493 2HA GLY 59 1HA GLY 59 -15.608 24.138 1.787 494 H ALA 60 H ALA 60 -12.881 23.093 1.317 495 HA ALA 60 HA ALA 60 -13.163 20.301 0.709 496 1HB ALA 60 1HB ALA 60 -10.865 21.846 1.906 497 2HB ALA 60 2HB ALA 60 -11.080 21.417 0.209 498 3HB ALA 60 3HB ALA 60 -10.799 20.155 1.409 499 H LEU 61 H LEU 61 -12.363 22.102 3.684 500 HA LEU 61 HA LEU 61 -12.403 19.906 5.415 501 1HB LEU 61 2HB LEU 61 -11.446 22.079 6.012 502 2HB LEU 61 1HB LEU 61 -13.046 22.795 6.001 503 HG LEU 61 HG LEU 61 -13.317 20.708 7.792 504 1HD1 LEU 61 1HD1 LEU 61 -10.781 20.525 7.632 505 2HD1 LEU 61 2HD1 LEU 61 -11.480 20.671 9.245 506 3HD1 LEU 61 3HD1 LEU 61 -10.734 22.073 8.478 507 1HD2 LEU 61 1HD2 LEU 61 -12.707 23.626 8.238 508 2HD2 LEU 61 2HD2 LEU 61 -13.260 22.527 9.501 509 3HD2 LEU 61 3HD2 LEU 61 -14.295 22.865 8.114 510 H GLU 62 H GLU 62 -14.983 22.117 4.427 511 HA GLU 62 HA GLU 62 -16.965 21.140 6.169 512 1HB GLU 62 2HB GLU 62 -16.823 23.203 4.412 513 2HB GLU 62 1HB GLU 62 -17.859 22.097 3.522 514 1HG GLU 62 2HG GLU 62 -19.593 22.384 4.919 515 2HG GLU 62 1HG GLU 62 -18.564 22.483 6.348 516 H ALA 63 H ALA 63 -16.177 20.295 2.808 517 HA ALA 63 HA ALA 63 -18.228 18.393 2.472 518 1HB ALA 63 1HB ALA 63 -17.250 17.888 0.442 519 2HB ALA 63 2HB ALA 63 -15.613 18.150 1.045 520 3HB ALA 63 3HB ALA 63 -16.668 19.527 0.728 521 H THR 64 H THR 64 -14.855 18.076 3.509 522 HA THR 64 HA THR 64 -14.868 15.253 3.701 523 HB THR 64 HB THR 64 -13.124 17.059 5.361 524 HG1 THR 64 1HG THR 64 -12.706 16.376 2.644 525 1HG2 THR 64 1HG2 THR 64 -12.714 14.758 5.790 526 2HG2 THR 64 2HG2 THR 64 -11.401 15.359 4.779 527 3HG2 THR 64 3HG2 THR 64 -12.687 14.384 4.068 528 H ALA 65 H ALA 65 -15.221 17.788 6.178 529 HA ALA 65 HA ALA 65 -15.631 16.036 8.342 530 1HB ALA 65 1HB ALA 65 -15.926 17.902 9.603 531 2HB ALA 65 2HB ALA 65 -16.940 18.693 8.396 532 3HB ALA 65 3HB ALA 65 -15.189 18.654 8.188 533 H TRP 66 H TRP 66 -17.908 17.674 6.172 534 HA TRP 66 HA TRP 66 -20.255 16.767 7.470 535 1HB TRP 66 2HB TRP 66 -20.047 18.687 5.808 536 2HB TRP 66 1HB TRP 66 -20.035 17.463 4.542 537 HD1 TRP 66 HD TRP 66 -22.350 19.211 6.998 538 HE1 TRP 66 1HE TRP 66 -24.785 18.589 6.443 539 HE3 TRP 66 3HE TRP 66 -21.484 15.546 3.540 540 HZ2 TRP 66 2HZ TRP 66 -26.157 16.784 4.763 541 HZ3 TRP 66 3HZ TRP 66 -23.413 14.420 2.507 542 HH2 TRP 66 HH TRP 66 -25.702 15.028 3.107 543 H ALA 67 H ALA 67 -18.300 15.483 4.834 544 HA ALA 67 HA ALA 67 -20.071 13.363 4.159 545 1HB ALA 67 1HB ALA 67 -18.594 13.938 2.460 546 2HB ALA 67 2HB ALA 67 -17.930 12.425 3.074 547 3HB ALA 67 3HB ALA 67 -17.202 13.963 3.542 548 H LEU 68 H LEU 68 -17.326 13.664 6.347 549 HA LEU 68 HA LEU 68 -17.023 10.926 6.933 550 1HB LEU 68 2HB LEU 68 -15.666 13.197 7.572 551 2HB LEU 68 1HB LEU 68 -16.423 12.817 9.106 552 HG LEU 68 HG LEU 68 -15.440 10.444 8.744 553 1HD1 LEU 68 1HD1 LEU 68 -13.118 10.953 7.515 554 2HD1 LEU 68 2HD1 LEU 68 -14.177 12.014 6.585 555 3HD1 LEU 68 3HD1 LEU 68 -14.524 10.287 6.685 556 1HD2 LEU 68 1HD2 LEU 68 -13.309 11.160 9.768 557 2HD2 LEU 68 2HD2 LEU 68 -14.717 11.914 10.515 558 3HD2 LEU 68 3HD2 LEU 68 -13.718 12.833 9.391 559 H LYS 69 H LYS 69 -18.932 13.474 8.497 560 HA LYS 69 HA LYS 69 -19.855 11.864 10.634 561 1HB LYS 69 2HB LYS 69 -20.606 14.497 9.468 562 2HB LYS 69 1HB LYS 69 -21.778 13.707 10.514 563 1HG LYS 69 2HG LYS 69 -19.406 13.498 11.916 564 2HG LYS 69 1HG LYS 69 -19.329 15.101 11.185 565 1HD LYS 69 2HD LYS 69 -21.844 14.223 12.536 566 2HD LYS 69 1HD LYS 69 -20.475 14.757 13.514 567 1HE LYS 69 2HE LYS 69 -20.909 16.893 13.064 568 2HE LYS 69 1HE LYS 69 -20.924 16.576 11.330 569 1HZ LYS 69 1HZ LYS 69 -23.055 17.382 12.688 570 2HZ LYS 69 2HZ LYS 69 -23.273 15.708 12.803 571 3HZ LYS 69 3HZ LYS 69 -23.157 16.442 11.283 572 H VAL 70 H VAL 70 -21.359 12.794 7.544 573 HA VAL 70 HA VAL 70 -23.730 11.289 7.969 574 HB VAL 70 HB VAL 70 -22.568 12.132 5.309 575 1HG1 VAL 70 1HG1 VAL 70 -25.346 11.385 6.198 576 2HG1 VAL 70 2HG1 VAL 70 -24.339 10.569 5.000 577 3HG1 VAL 70 3HG1 VAL 70 -24.991 12.173 4.661 578 1HG2 VAL 70 1HG2 VAL 70 -23.132 13.844 7.344 579 2HG2 VAL 70 2HG2 VAL 70 -24.683 13.774 6.508 580 3HG2 VAL 70 3HG2 VAL 70 -23.230 14.254 5.633 581 H ALA 71 H ALA 71 -20.675 10.603 6.324 582 HA ALA 71 HA ALA 71 -21.355 8.193 5.104 583 1HB ALA 71 1HB ALA 71 -18.945 7.664 5.195 584 2HB ALA 71 2HB ALA 71 -18.708 9.025 6.291 585 3HB ALA 71 3HB ALA 71 -19.255 9.309 4.638 586 H GLU 72 H GLU 72 -20.149 8.838 8.365 587 HA GLU 72 HA GLU 72 -20.110 6.118 9.189 588 1HB GLU 72 2HB GLU 72 -18.750 7.797 10.315 589 2HB GLU 72 1HB GLU 72 -20.195 8.672 10.806 590 1HG GLU 72 2HG GLU 72 -20.645 6.162 11.809 591 2HG GLU 72 1HG GLU 72 -18.905 6.355 12.007 592 H ASN 73 H ASN 73 -22.480 8.716 9.359 593 HA ASN 73 HA ASN 73 -24.302 7.327 11.045 594 1HB ASN 73 2HB ASN 73 -24.647 9.699 9.213 595 2HB ASN 73 1HB ASN 73 -25.929 9.085 10.254 596 1HD2 ASN 73 1HD2 ASN 73 -24.938 11.673 10.422 597 2HD2 ASN 73 2HD2 ASN 73 -24.137 11.864 11.941 598 H GLU 74 H GLU 74 -24.041 7.737 7.543 599 HA GLU 74 HA GLU 74 -26.447 6.242 7.028 600 1HB GLU 74 2HB GLU 74 -24.289 7.218 5.153 601 2HB GLU 74 1HB GLU 74 -25.814 6.503 4.652 602 1HG GLU 74 2HG GLU 74 -25.662 8.973 6.352 603 2HG GLU 74 1HG GLU 74 -25.671 9.019 4.590 604 H LEU 75 H LEU 75 -22.963 5.644 6.740 605 HA LEU 75 HA LEU 75 -23.461 2.929 5.824 606 1HB LEU 75 2HB LEU 75 -21.537 4.691 5.175 607 2HB LEU 75 1HB LEU 75 -20.710 3.809 6.445 608 HG LEU 75 HG LEU 75 -20.212 2.915 4.209 609 1HD1 LEU 75 1HD1 LEU 75 -21.864 0.891 5.680 610 2HD1 LEU 75 2HD1 LEU 75 -20.345 1.503 6.335 611 3HD1 LEU 75 3HD1 LEU 75 -20.361 0.657 4.788 612 1HD2 LEU 75 1HD2 LEU 75 -22.987 1.841 4.019 613 2HD2 LEU 75 2HD2 LEU 75 -21.791 2.103 2.749 614 3HD2 LEU 75 3HD2 LEU 75 -22.651 3.476 3.449 615 H GLY 76 H GLY 76 -22.274 4.585 8.702 616 1HA GLY 76 2HA GLY 76 -22.371 3.705 10.885 617 2HA GLY 76 1HA GLY 76 -22.630 2.109 10.202 618 H ILE 77 H ILE 77 -20.055 4.148 9.061 619 HA ILE 77 HA ILE 77 -18.118 2.277 10.244 620 HB ILE 77 HB ILE 77 -18.111 2.384 7.786 621 1HG1 ILE 77 2HG1 ILE 77 -15.646 3.580 9.076 622 2HG1 ILE 77 1HG1 ILE 77 -16.028 1.863 8.971 623 1HG2 ILE 77 1HG2 ILE 77 -18.576 5.058 8.100 624 2HG2 ILE 77 2HG2 ILE 77 -18.099 4.277 6.593 625 3HG2 ILE 77 3HG2 ILE 77 -16.880 5.030 7.620 626 1HD1 ILE 77 1HD1 ILE 77 -14.439 3.198 7.242 627 2HD1 ILE 77 2HD1 ILE 77 -15.988 3.271 6.402 628 3HD1 ILE 77 3HD1 ILE 77 -15.304 1.711 6.860 629 H THR 78 H THR 78 -16.766 2.974 11.764 630 HA THR 78 HA THR 78 -16.873 5.671 12.692 631 HB THR 78 HB THR 78 -14.693 3.883 13.619 632 HG1 THR 78 1HG THR 78 -16.021 2.453 14.561 633 1HG2 THR 78 1HG2 THR 78 -16.362 5.988 14.711 634 2HG2 THR 78 2HG2 THR 78 -14.785 5.399 15.237 635 3HG2 THR 78 3HG2 THR 78 -16.255 4.579 15.766 636 HA PRO 79 HA PRO 79 -13.568 7.165 10.088 637 1HB PRO 79 2HB PRO 79 -13.393 9.657 11.078 638 2HB PRO 79 1HB PRO 79 -14.764 9.140 10.091 639 1HG PRO 79 2HG PRO 79 -14.563 9.394 13.066 640 2HG PRO 79 1HG PRO 79 -15.886 9.876 11.990 641 1HD PRO 79 2HD PRO 79 -15.885 7.561 13.442 642 2HD PRO 79 1HD PRO 79 -16.753 7.754 11.906 643 H VAL 80 H VAL 80 -11.376 7.277 10.211 644 HA VAL 80 HA VAL 80 -10.161 7.426 12.892 645 HB VAL 80 HB VAL 80 -9.110 5.700 10.651 646 1HG1 VAL 80 1HG1 VAL 80 -7.297 5.978 11.992 647 2HG1 VAL 80 2HG1 VAL 80 -8.068 4.653 12.864 648 3HG1 VAL 80 3HG1 VAL 80 -8.269 6.313 13.426 649 1HG2 VAL 80 1HG2 VAL 80 -10.151 4.255 12.933 650 2HG2 VAL 80 2HG2 VAL 80 -10.474 4.029 11.214 651 3HG2 VAL 80 3HG2 VAL 80 -11.407 5.205 12.139 652 H VAL 81 H VAL 81 -10.571 9.383 10.601 653 HA VAL 81 HA VAL 81 -7.864 10.441 10.655 654 HB VAL 81 HB VAL 81 -7.890 9.093 8.604 655 1HG1 VAL 81 1HG1 VAL 81 -10.292 10.776 7.942 656 2HG1 VAL 81 2HG1 VAL 81 -10.165 9.018 7.991 657 3HG1 VAL 81 3HG1 VAL 81 -9.359 9.925 6.711 658 1HG2 VAL 81 1HG2 VAL 81 -7.183 10.845 7.048 659 2HG2 VAL 81 2HG2 VAL 81 -6.556 11.134 8.670 660 3HG2 VAL 81 3HG2 VAL 81 -7.932 12.064 8.078 661 H SER 82 H SER 82 -7.747 12.689 10.165 662 HA SER 82 HA SER 82 -10.305 14.057 10.568 663 1HB SER 82 2HB SER 82 -8.478 16.032 10.814 664 2HB SER 82 1HB SER 82 -8.964 14.993 12.152 665 HG SER 82 HG SER 82 -6.717 14.620 10.458 666 H ALA 83 H ALA 83 -10.889 15.883 9.318 667 HA ALA 83 HA ALA 83 -10.527 15.599 6.557 668 1HB ALA 83 1HB ALA 83 -11.540 17.933 8.170 669 2HB ALA 83 2HB ALA 83 -12.493 16.669 7.391 670 3HB ALA 83 3HB ALA 83 -11.615 17.844 6.411 671 H GLN 84 H GLN 84 -9.029 17.838 8.862 672 HA GLN 84 HA GLN 84 -7.626 19.444 7.091 673 1HB GLN 84 2HB GLN 84 -7.813 19.247 9.815 674 2HB GLN 84 1HB GLN 84 -6.145 18.760 9.536 675 1HG GLN 84 2HG GLN 84 -5.655 20.823 8.439 676 2HG GLN 84 1HG GLN 84 -7.354 21.295 8.461 677 1HE2 GLN 84 1HE2 GLN 84 -8.171 22.274 10.226 678 2HE2 GLN 84 2HE2 GLN 84 -7.264 22.637 11.650 679 H ALA 85 H ALA 85 -6.746 16.296 8.430 680 HA ALA 85 HA ALA 85 -4.118 16.238 7.368 681 1HB ALA 85 1HB ALA 85 -5.947 14.294 8.642 682 2HB ALA 85 2HB ALA 85 -4.268 14.691 9.016 683 3HB ALA 85 3HB ALA 85 -4.644 13.634 7.654 684 H VAL 86 H VAL 86 -7.228 15.025 6.200 685 HA VAL 86 HA VAL 86 -6.207 13.703 3.915 686 HB VAL 86 HB VAL 86 -8.982 14.837 4.283 687 1HG1 VAL 86 1HG1 VAL 86 -9.067 14.192 2.117 688 2HG1 VAL 86 2HG1 VAL 86 -9.309 12.600 2.835 689 3HG1 VAL 86 3HG1 VAL 86 -7.706 13.081 2.281 690 1HG2 VAL 86 1HG2 VAL 86 -8.304 11.985 4.825 691 2HG2 VAL 86 2HG2 VAL 86 -9.610 12.975 5.472 692 3HG2 VAL 86 3HG2 VAL 86 -7.964 13.195 6.062 693 H VAL 87 H VAL 87 -7.694 16.909 4.343 694 HA VAL 87 HA VAL 87 -7.577 17.701 1.657 695 HB VAL 87 HB VAL 87 -8.916 18.881 3.349 696 1HG1 VAL 87 1HG1 VAL 87 -6.273 19.939 4.345 697 2HG1 VAL 87 2HG1 VAL 87 -7.312 18.794 5.195 698 3HG1 VAL 87 3HG1 VAL 87 -7.870 20.442 4.900 699 1HG2 VAL 87 1HG2 VAL 87 -7.717 19.944 1.182 700 2HG2 VAL 87 2HG2 VAL 87 -7.128 21.037 2.435 701 3HG2 VAL 87 3HG2 VAL 87 -8.863 20.819 2.196 702 H ALA 88 H ALA 88 -5.169 17.762 4.198 703 HA ALA 88 HA ALA 88 -3.336 19.393 2.668 704 1HB ALA 88 1HB ALA 88 -3.397 18.233 5.385 705 2HB ALA 88 2HB ALA 88 -2.923 19.844 4.846 706 3HB ALA 88 3HB ALA 88 -1.806 18.491 4.669 707 H GLY 89 H GLY 89 -4.143 16.093 2.789 708 1HA GLY 89 2HA GLY 89 -3.190 14.217 1.877 709 2HA GLY 89 1HA GLY 89 -2.383 15.327 0.780 710 H SER 90 H SER 90 -1.816 15.597 4.190 711 HA SER 90 HA SER 90 0.906 14.570 3.764 712 1HB SER 90 2HB SER 90 1.339 15.914 5.940 713 2HB SER 90 1HB SER 90 1.117 16.807 4.434 714 HG SER 90 HG SER 90 -0.148 17.729 6.047 715 H ASP 91 H ASP 91 -1.083 12.697 4.192 716 HA ASP 91 HA ASP 91 -0.100 11.427 6.580 717 1HB ASP 91 2HB ASP 91 -2.261 13.000 7.007 718 2HB ASP 91 1HB ASP 91 -3.059 11.495 6.561 719 HA PRO 92 HA PRO 92 -1.198 8.698 2.927 720 1HB PRO 92 2HB PRO 92 1.129 7.248 3.122 721 2HB PRO 92 1HB PRO 92 0.931 8.671 2.097 722 1HG PRO 92 2HG PRO 92 2.160 8.449 4.814 723 2HG PRO 92 1HG PRO 92 2.709 9.381 3.409 724 1HD PRO 92 2HD PRO 92 1.422 10.547 5.458 725 2HD PRO 92 1HD PRO 92 1.178 11.082 3.782 726 H LEU 93 H LEU 93 0.411 7.854 5.985 727 HA LEU 93 HA LEU 93 -0.403 5.182 6.107 728 1HB LEU 93 2HB LEU 93 1.239 6.621 7.593 729 2HB LEU 93 1HB LEU 93 -0.182 6.796 8.606 730 HG LEU 93 HG LEU 93 -0.310 4.219 8.526 731 1HD1 LEU 93 1HD1 LEU 93 1.915 3.155 8.259 732 2HD1 LEU 93 2HD1 LEU 93 2.525 4.680 7.617 733 3HD1 LEU 93 3HD1 LEU 93 1.257 3.805 6.758 734 1HD2 LEU 93 1HD2 LEU 93 1.348 4.053 10.375 735 2HD2 LEU 93 2HD2 LEU 93 0.217 5.394 10.548 736 3HD2 LEU 93 3HD2 LEU 93 1.865 5.696 10.000 737 H GLY 94 H GLY 94 -2.036 8.143 7.077 738 1HA GLY 94 2HA GLY 94 -4.186 6.822 8.427 739 2HA GLY 94 1HA GLY 94 -4.138 8.513 7.953 740 H LEU 95 H LEU 95 -3.794 8.228 5.194 741 HA LEU 95 HA LEU 95 -6.447 7.876 4.347 742 1HB LEU 95 2HB LEU 95 -3.859 8.467 3.102 743 2HB LEU 95 1HB LEU 95 -4.978 7.627 2.043 744 HG LEU 95 HG LEU 95 -6.074 9.955 3.507 745 1HD1 LEU 95 1HD1 LEU 95 -3.964 10.907 2.954 746 2HD1 LEU 95 2HD1 LEU 95 -5.135 11.497 1.773 747 3HD1 LEU 95 3HD1 LEU 95 -4.008 10.213 1.333 748 1HD2 LEU 95 1HD2 LEU 95 -6.261 9.426 0.575 749 2HD2 LEU 95 2HD2 LEU 95 -7.446 10.144 1.667 750 3HD2 LEU 95 3HD2 LEU 95 -7.150 8.405 1.706 751 H ILE 96 H ILE 96 -3.616 5.759 4.101 752 HA ILE 96 HA ILE 96 -4.903 3.724 2.606 753 HB ILE 96 HB ILE 96 -2.529 3.424 4.448 754 1HG1 ILE 96 2HG1 ILE 96 -2.347 3.827 1.479 755 2HG1 ILE 96 1HG1 ILE 96 -2.481 5.218 2.549 756 1HG2 ILE 96 1HG2 ILE 96 -3.715 1.723 2.289 757 2HG2 ILE 96 2HG2 ILE 96 -3.205 1.269 3.915 758 3HG2 ILE 96 3HG2 ILE 96 -1.997 1.619 2.678 759 1HD1 ILE 96 1HD1 ILE 96 -0.205 3.514 1.981 760 2HD1 ILE 96 2HD1 ILE 96 -0.486 3.727 3.709 761 3HD1 ILE 96 3HD1 ILE 96 -0.267 5.135 2.673 762 H ALA 97 H ALA 97 -4.299 4.148 6.077 763 HA ALA 97 HA ALA 97 -5.339 1.704 6.951 764 1HB ALA 97 1HB ALA 97 -5.160 4.379 8.319 765 2HB ALA 97 2HB ALA 97 -4.055 3.012 8.464 766 3HB ALA 97 3HB ALA 97 -5.685 2.905 9.132 767 H TYR 98 H TYR 98 -6.927 4.843 6.485 768 HA TYR 98 HA TYR 98 -9.479 3.979 7.385 769 1HB TYR 98 2HB TYR 98 -8.617 6.382 7.181 770 2HB TYR 98 1HB TYR 98 -8.995 6.255 5.466 771 HD1 TYR 98 1HD TYR 98 -10.792 7.712 5.163 772 HD2 TYR 98 2HD TYR 98 -10.895 4.936 8.386 773 HE1 TYR 98 1HE TYR 98 -13.122 8.346 5.627 774 HE2 TYR 98 2HE TYR 98 -13.226 5.562 8.855 775 HH TYR 98 HH TYR 98 -15.086 7.482 6.704 776 H LEU 99 H LEU 99 -7.930 4.146 4.222 777 HA LEU 99 HA LEU 99 -10.151 3.620 2.616 778 1HB LEU 99 2HB LEU 99 -7.300 3.704 2.316 779 2HB LEU 99 1HB LEU 99 -7.926 2.302 1.469 780 HG LEU 99 HG LEU 99 -9.628 4.422 0.764 781 1HD1 LEU 99 1HD1 LEU 99 -6.734 5.240 0.797 782 2HD1 LEU 99 2HD1 LEU 99 -8.113 6.084 1.503 783 3HD1 LEU 99 3HD1 LEU 99 -7.942 5.989 -0.250 784 1HD2 LEU 99 1HD2 LEU 99 -8.906 3.958 -1.431 785 2HD2 LEU 99 2HD2 LEU 99 -8.787 2.431 -0.558 786 3HD2 LEU 99 3HD2 LEU 99 -7.335 3.379 -0.876 787 H SER 100 H SER 100 -8.089 1.460 4.463 788 HA SER 100 HA SER 100 -8.897 -0.979 3.350 789 1HB SER 100 2HB SER 100 -7.901 -0.255 6.108 790 2HB SER 100 1HB SER 100 -8.240 -1.919 5.629 791 HG SER 100 HG SER 100 -6.135 -0.290 4.965 792 H HIS 101 H HIS 101 -10.247 0.893 6.040 793 HA HIS 101 HA HIS 101 -12.238 -0.966 6.766 794 1HB HIS 101 2HB HIS 101 -11.453 1.697 7.520 795 2HB HIS 101 1HB HIS 101 -13.201 1.631 7.337 796 HD1 HIS 101 1HD HIS 101 -14.496 0.597 9.210 797 HD2 HIS 101 2HD HIS 101 -10.430 -0.231 9.443 798 HE1 HIS 101 1HE HIS 101 -14.167 -0.542 11.428 799 HE2 HIS 101 2HE HIS 101 -11.713 -1.107 11.511 800 H PHE 102 H PHE 102 -12.296 1.837 4.591 801 HA PHE 102 HA PHE 102 -15.032 1.675 3.930 802 1HB PHE 102 2HB PHE 102 -12.686 3.145 2.996 803 2HB PHE 102 1HB PHE 102 -13.817 2.771 1.699 804 HD1 PHE 102 1HD PHE 102 -12.934 5.278 3.774 805 HD2 PHE 102 2HD PHE 102 -16.407 3.066 2.704 806 HE1 PHE 102 1HE PHE 102 -14.347 7.168 4.470 807 HE2 PHE 102 2HE PHE 102 -17.828 4.952 3.396 808 HZ PHE 102 HZ PHE 102 -16.797 7.006 4.281 809 H HIS 103 H HIS 103 -12.146 0.242 2.485 810 HA HIS 103 HA HIS 103 -13.422 -0.866 0.220 811 1HB HIS 103 2HB HIS 103 -10.968 -0.559 0.425 812 2HB HIS 103 1HB HIS 103 -10.929 -1.843 1.627 813 HD1 HIS 103 1HD HIS 103 -12.146 -4.184 0.561 814 HD2 HIS 103 2HD HIS 103 -10.303 -1.491 -2.011 815 HE1 HIS 103 1HE HIS 103 -11.657 -5.484 -1.534 816 HE2 HIS 103 2HE HIS 103 -10.453 -3.859 -3.038 817 H SER 104 H SER 104 -12.628 -2.218 3.405 818 HA SER 104 HA SER 104 -13.539 -4.822 2.946 819 1HB SER 104 2HB SER 104 -12.185 -4.016 4.924 820 2HB SER 104 1HB SER 104 -13.683 -3.369 5.594 821 HG SER 104 HG SER 104 -14.489 -5.613 5.291 822 H ALA 105 H ALA 105 -15.246 -1.966 4.169 823 HA ALA 105 HA ALA 105 -17.718 -3.321 4.590 824 1HB ALA 105 1HB ALA 105 -16.894 -0.445 4.507 825 2HB ALA 105 2HB ALA 105 -17.494 -1.396 5.865 826 3HB ALA 105 3HB ALA 105 -18.598 -0.890 4.586 827 H PHE 106 H PHE 106 -16.450 -1.264 1.994 828 HA PHE 106 HA PHE 106 -18.819 -1.313 0.430 829 1HB PHE 106 2HB PHE 106 -15.969 -0.532 -0.061 830 2HB PHE 106 1HB PHE 106 -17.073 -0.675 -1.425 831 HD1 PHE 106 1HD PHE 106 -18.013 0.500 1.949 832 HD2 PHE 106 2HD PHE 106 -17.128 1.591 -2.068 833 HE1 PHE 106 1HE PHE 106 -18.846 2.774 2.388 834 HE2 PHE 106 2HE PHE 106 -17.959 3.867 -1.637 835 HZ PHE 106 HZ PHE 106 -18.819 4.462 0.593 836 H LYS 107 H LYS 107 -16.099 -3.457 0.756 837 HA LYS 107 HA LYS 107 -16.223 -4.840 -1.659 838 1HB LYS 107 2HB LYS 107 -14.415 -5.120 -0.016 839 2HB LYS 107 1HB LYS 107 -15.532 -5.924 1.078 840 1HG LYS 107 2HG LYS 107 -15.600 -7.227 -1.466 841 2HG LYS 107 1HG LYS 107 -13.928 -7.075 -0.922 842 1HD LYS 107 2HD LYS 107 -16.098 -8.089 0.892 843 2HD LYS 107 1HD LYS 107 -15.227 -9.162 -0.204 844 1HE LYS 107 2HE LYS 107 -13.853 -7.363 1.779 845 2HE LYS 107 1HE LYS 107 -14.331 -9.017 2.155 846 1HZ LYS 107 1HZ LYS 107 -12.890 -9.845 0.476 847 2HZ LYS 107 2HZ LYS 107 -11.990 -8.755 1.405 848 3HZ LYS 107 3HZ LYS 107 -12.565 -8.295 -0.117 849 H SER 108 H SER 108 -18.083 -5.265 1.310 850 HA SER 108 HA SER 108 -19.376 -7.658 0.620 851 1HB SER 108 2HB SER 108 -19.315 -6.345 2.880 852 2HB SER 108 1HB SER 108 -20.753 -5.546 2.248 853 HG SER 108 HG SER 108 -21.046 -7.540 3.549 854 H MET 109 H MET 109 -19.996 -4.338 -0.261 855 HA MET 109 HA MET 109 -22.565 -4.979 -1.454 856 1HB MET 109 2HB MET 109 -21.548 -2.692 -0.334 857 2HB MET 109 1HB MET 109 -21.387 -2.354 -2.052 858 1HG MET 109 2HG MET 109 -23.472 -1.528 -1.647 859 2HG MET 109 1HG MET 109 -23.865 -3.174 -2.142 860 1HE MET 109 1HE MET 109 -25.648 -1.174 1.142 861 2HE MET 109 2HE MET 109 -26.372 -1.896 -0.296 862 3HE MET 109 3HE MET 109 -25.080 -0.708 -0.462 Start of MODEL 5 1 1H MET -8 1HT MET -8 11.415 -24.806 -13.251 2 2H MET -8 2HT MET -8 9.705 -24.911 -13.138 3 3H MET -8 3HT MET -8 10.556 -23.733 -12.227 4 HA MET -8 HA MET -8 11.121 -22.525 -14.099 5 1HB MET -8 2HB MET -8 11.281 -24.924 -15.327 6 2HB MET -8 1HB MET -8 9.754 -24.357 -15.986 7 1HG MET -8 2HG MET -8 12.262 -22.710 -16.059 8 2HG MET -8 1HG MET -8 11.829 -23.852 -17.331 9 1HE MET -8 1HE MET -8 11.777 -22.699 -19.120 10 2HE MET -8 2HE MET -8 11.741 -20.939 -19.014 11 3HE MET -8 3HE MET -8 10.371 -21.808 -19.705 12 H GLY -7 H GLY -7 9.713 -20.948 -13.627 13 1HA GLY -7 2HA GLY -7 7.352 -20.514 -14.921 14 2HA GLY -7 1HA GLY -7 6.877 -21.413 -13.489 15 H HIS -6 H HIS -6 8.080 -20.491 -11.428 16 HA HIS -6 HA HIS -6 7.080 -17.846 -11.091 17 1HB HIS -6 2HB HIS -6 8.119 -19.963 -9.408 18 2HB HIS -6 1HB HIS -6 8.769 -18.402 -8.922 19 HD1 HIS -6 1HD HIS -6 7.384 -17.293 -7.217 20 HD2 HIS -6 2HD HIS -6 5.097 -19.679 -9.736 21 HE1 HIS -6 1HE HIS -6 5.026 -17.101 -6.364 22 HE2 HIS -6 2HE HIS -6 3.677 -18.633 -7.843 23 H HIS -5 H HIS -5 8.244 -15.948 -10.575 24 HA HIS -5 HA HIS -5 11.006 -15.932 -11.606 25 1HB HIS -5 2HB HIS -5 8.861 -14.554 -12.620 26 2HB HIS -5 1HB HIS -5 9.591 -13.356 -11.557 27 HD1 HIS -5 1HD HIS -5 12.510 -14.843 -12.330 28 HD2 HIS -5 2HD HIS -5 9.786 -12.847 -14.751 29 HE1 HIS -5 1HE HIS -5 13.821 -14.096 -14.341 30 HE2 HIS -5 2HE HIS -5 12.134 -12.964 -15.831 31 H HIS -4 H HIS -4 11.991 -13.617 -10.821 32 HA HIS -4 HA HIS -4 11.431 -13.213 -7.990 33 1HB HIS -4 2HB HIS -4 13.817 -14.572 -9.048 34 2HB HIS -4 1HB HIS -4 14.163 -13.273 -7.912 35 HD1 HIS -4 1HD HIS -4 12.047 -16.424 -8.094 36 HD2 HIS -4 2HD HIS -4 13.954 -14.004 -5.306 37 HE1 HIS -4 1HE HIS -4 11.790 -17.607 -5.891 38 HE2 HIS -4 2HE HIS -4 12.867 -16.077 -4.204 39 H HIS -3 H HIS -3 12.671 -11.344 -7.104 40 HA HIS -3 HA HIS -3 13.604 -9.457 -9.130 41 1HB HIS -3 2HB HIS -3 11.019 -9.301 -8.236 42 2HB HIS -3 1HB HIS -3 11.846 -8.217 -7.123 43 HD1 HIS -3 1HD HIS -3 9.827 -7.110 -9.148 44 HD2 HIS -3 2HD HIS -3 13.915 -7.353 -9.842 45 HE1 HIS -3 1HE HIS -3 10.311 -5.392 -10.919 46 HE2 HIS -3 2HE HIS -3 12.804 -5.501 -11.263 47 H HIS -2 H HIS -2 13.963 -7.233 -7.636 48 HA HIS -2 HA HIS -2 15.955 -8.130 -5.682 49 1HB HIS -2 2HB HIS -2 15.656 -5.653 -7.352 50 2HB HIS -2 1HB HIS -2 16.664 -5.631 -5.909 51 HD1 HIS -2 1HD HIS -2 19.020 -5.828 -6.617 52 HD2 HIS -2 2HD HIS -2 16.528 -8.276 -8.867 53 HE1 HIS -2 1HE HIS -2 20.540 -7.086 -8.173 54 HE2 HIS -2 2HE HIS -2 19.020 -8.627 -9.462 55 H HIS -1 H HIS -1 13.654 -5.424 -6.056 56 HA HIS -1 HA HIS -1 12.782 -5.779 -3.311 57 1HB HIS -1 2HB HIS -1 14.768 -4.284 -3.158 58 2HB HIS -1 1HB HIS -1 13.950 -3.139 -4.215 59 HD1 HIS -1 1HD HIS -1 12.906 -4.955 -1.025 60 HD2 HIS -1 2HD HIS -1 12.939 -1.154 -2.704 61 HE1 HIS -1 1HE HIS -1 11.850 -3.452 0.692 62 HE2 HIS -1 2HE HIS -1 11.784 -1.178 -0.389 63 H MET 0 H MET 0 10.670 -5.998 -3.736 64 HA MET 0 HA MET 0 9.215 -3.719 -4.736 65 1HB MET 0 2HB MET 0 9.929 -5.131 -6.761 66 2HB MET 0 1HB MET 0 8.783 -6.329 -6.172 67 1HG MET 0 2HG MET 0 7.738 -4.997 -7.866 68 2HG MET 0 1HG MET 0 6.995 -4.641 -6.308 69 1HE MET 0 1HE MET 0 6.544 -3.201 -8.750 70 2HE MET 0 2HE MET 0 7.269 -1.605 -8.954 71 3HE MET 0 3HE MET 0 6.106 -1.885 -7.659 72 H GLY 1 H GLY 1 6.903 -3.918 -4.419 73 1HA GLY 1 2HA GLY 1 5.244 -5.751 -3.604 74 2HA GLY 1 1HA GLY 1 6.308 -5.754 -2.206 75 H SER 2 H SER 2 6.785 -3.283 -1.537 76 HA SER 2 HA SER 2 4.376 -2.350 -0.425 77 1HB SER 2 2HB SER 2 7.093 -1.831 -0.065 78 2HB SER 2 1HB SER 2 6.422 -0.287 -0.587 79 HG SER 2 HG SER 2 6.070 -1.652 1.765 80 H ALA 3 H ALA 3 6.098 -1.500 -3.351 81 HA ALA 3 HA ALA 3 4.538 0.851 -3.884 82 1HB ALA 3 1HB ALA 3 6.051 -0.584 -6.017 83 2HB ALA 3 2HB ALA 3 6.931 0.211 -4.713 84 3HB ALA 3 3HB ALA 3 5.853 1.148 -5.747 85 H GLY 4 H GLY 4 4.479 -2.527 -4.904 86 1HA GLY 4 2HA GLY 4 2.437 -2.165 -6.872 87 2HA GLY 4 1HA GLY 4 2.986 -3.698 -6.212 88 H THR 5 H THR 5 2.438 -2.785 -3.440 89 HA THR 5 HA THR 5 -0.221 -3.750 -3.247 90 HB THR 5 HB THR 5 0.081 -2.900 -0.802 91 HG1 THR 5 1HG THR 5 2.234 -2.523 -0.261 92 1HG2 THR 5 1HG2 THR 5 2.052 -4.930 -1.812 93 2HG2 THR 5 2HG2 THR 5 0.347 -5.259 -1.508 94 3HG2 THR 5 3HG2 THR 5 1.403 -4.784 -0.179 95 H GLN 6 H GLN 6 1.182 -0.542 -2.582 96 HA GLN 6 HA GLN 6 -1.266 0.740 -2.046 97 1HB GLN 6 2HB GLN 6 1.505 1.618 -2.676 98 2HB GLN 6 1HB GLN 6 0.220 2.806 -2.858 99 1HG GLN 6 2HG GLN 6 1.181 3.008 -0.675 100 2HG GLN 6 1HG GLN 6 -0.462 2.382 -0.528 101 1HE2 GLN 6 1HE2 GLN 6 2.734 1.966 0.355 102 2HE2 GLN 6 2HE2 GLN 6 2.624 0.367 1.001 103 H GLU 7 H GLU 7 0.456 0.098 -5.026 104 HA GLU 7 HA GLU 7 -0.911 1.891 -6.700 105 1HB GLU 7 2HB GLU 7 1.104 -0.002 -7.000 106 2HB GLU 7 1HB GLU 7 -0.195 -0.602 -8.022 107 1HG GLU 7 2HG GLU 7 1.170 0.751 -9.384 108 2HG GLU 7 1HG GLU 7 -0.293 1.680 -9.061 109 H GLU 8 H GLU 8 -1.564 -1.519 -5.928 110 HA GLU 8 HA GLU 8 -3.821 -1.768 -7.599 111 1HB GLU 8 2HB GLU 8 -4.304 -3.807 -6.383 112 2HB GLU 8 1HB GLU 8 -2.577 -3.696 -6.691 113 1HG GLU 8 2HG GLU 8 -2.059 -3.572 -4.510 114 2HG GLU 8 1HG GLU 8 -3.470 -2.593 -4.118 115 H LEU 9 H LEU 9 -3.407 -0.556 -4.349 116 HA LEU 9 HA LEU 9 -6.158 -0.588 -3.627 117 1HB LEU 9 2HB LEU 9 -4.362 -0.497 -1.964 118 2HB LEU 9 1HB LEU 9 -3.882 1.081 -2.556 119 HG LEU 9 HG LEU 9 -6.117 1.959 -1.870 120 1HD1 LEU 9 1HD1 LEU 9 -7.723 0.688 -0.939 121 2HD1 LEU 9 2HD1 LEU 9 -6.566 -0.323 -0.070 122 3HD1 LEU 9 3HD1 LEU 9 -6.897 -0.627 -1.776 123 1HD2 LEU 9 1HD2 LEU 9 -4.762 0.709 0.490 124 2HD2 LEU 9 2HD2 LEU 9 -5.484 2.310 0.339 125 3HD2 LEU 9 3HD2 LEU 9 -3.957 1.953 -0.467 126 H LEU 10 H LEU 10 -3.996 1.971 -4.820 127 HA LEU 10 HA LEU 10 -5.927 4.017 -4.860 128 1HB LEU 10 2HB LEU 10 -3.218 3.812 -5.389 129 2HB LEU 10 1HB LEU 10 -3.900 4.236 -6.947 130 HG LEU 10 HG LEU 10 -4.209 5.797 -4.381 131 1HD1 LEU 10 1HD1 LEU 10 -3.022 7.057 -6.742 132 2HD1 LEU 10 2HD1 LEU 10 -2.066 5.740 -6.063 133 3HD1 LEU 10 3HD1 LEU 10 -2.523 7.110 -5.052 134 1HD2 LEU 10 1HD2 LEU 10 -6.175 5.751 -6.045 135 2HD2 LEU 10 2HD2 LEU 10 -5.116 6.695 -7.092 136 3HD2 LEU 10 3HD2 LEU 10 -5.567 7.316 -5.503 137 H ARG 11 H ARG 11 -5.049 1.546 -7.188 138 HA ARG 11 HA ARG 11 -6.444 2.605 -9.405 139 1HB ARG 11 2HB ARG 11 -5.286 -0.033 -8.672 140 2HB ARG 11 1HB ARG 11 -6.484 -0.014 -9.960 141 1HG ARG 11 2HG ARG 11 -4.198 1.902 -10.042 142 2HG ARG 11 1HG ARG 11 -3.957 0.219 -10.518 143 1HD ARG 11 2HD ARG 11 -6.048 0.593 -11.996 144 2HD ARG 11 1HD ARG 11 -5.707 2.307 -11.762 145 HE ARG 11 HE ARG 11 -3.329 1.316 -12.575 146 1HH1 ARG 11 1HH1 ARG 11 -6.565 1.088 -13.862 147 2HH1 ARG 11 2HH1 ARG 11 -6.037 0.964 -15.506 148 1HH2 ARG 11 1HH2 ARG 11 -2.633 1.152 -14.738 149 2HH2 ARG 11 2HH2 ARG 11 -3.804 1.000 -16.004 150 H TRP 12 H TRP 12 -7.390 0.384 -6.824 151 HA TRP 12 HA TRP 12 -9.946 -0.235 -7.875 152 1HB TRP 12 2HB TRP 12 -8.842 -1.637 -6.187 153 2HB TRP 12 1HB TRP 12 -8.969 -0.331 -5.013 154 HD1 TRP 12 HD TRP 12 -10.982 -3.113 -6.622 155 HE1 TRP 12 1HE TRP 12 -13.262 -3.294 -5.441 156 HE3 TRP 12 3HE TRP 12 -10.758 1.123 -3.766 157 HZ2 TRP 12 2HZ TRP 12 -14.767 -1.835 -3.551 158 HZ3 TRP 12 3HZ TRP 12 -12.660 1.658 -2.300 159 HH2 TRP 12 HH TRP 12 -14.623 0.209 -2.195 160 H CYS 13 H CYS 13 -8.839 2.147 -5.492 161 HA CYS 13 HA CYS 13 -11.347 3.161 -4.778 162 1HB CYS 13 2HB CYS 13 -9.215 3.635 -3.579 163 2HB CYS 13 1HB CYS 13 -8.739 4.688 -4.906 164 HG CYS 13 HG CYS 13 -10.899 5.334 -2.797 165 H GLN 14 H GLN 14 -9.100 4.185 -7.329 166 HA GLN 14 HA GLN 14 -10.596 6.382 -8.238 167 1HB GLN 14 2HB GLN 14 -8.220 5.944 -8.819 168 2HB GLN 14 1HB GLN 14 -8.743 4.618 -9.849 169 1HG GLN 14 2HG GLN 14 -10.148 6.351 -11.079 170 2HG GLN 14 1HG GLN 14 -9.199 7.559 -10.213 171 1HE2 GLN 14 1HE2 GLN 14 -9.000 4.849 -12.443 172 2HE2 GLN 14 2HE2 GLN 14 -7.524 5.337 -13.196 173 H GLU 15 H GLU 15 -10.716 2.958 -9.061 174 HA GLU 15 HA GLU 15 -12.449 3.206 -11.281 175 1HB GLU 15 2HB GLU 15 -11.102 1.126 -9.980 176 2HB GLU 15 1HB GLU 15 -12.806 0.718 -9.836 177 1HG GLU 15 2HG GLU 15 -12.567 1.494 -12.465 178 2HG GLU 15 1HG GLU 15 -11.055 0.644 -12.150 179 H GLN 16 H GLN 16 -13.045 2.548 -7.848 180 HA GLN 16 HA GLN 16 -15.853 2.290 -8.084 181 1HB GLN 16 2HB GLN 16 -13.910 2.607 -5.863 182 2HB GLN 16 1HB GLN 16 -15.578 3.039 -5.517 183 1HG GLN 16 2HG GLN 16 -14.811 0.403 -6.729 184 2HG GLN 16 1HG GLN 16 -14.880 0.671 -4.987 185 1HE2 GLN 16 1HE2 GLN 16 -16.579 -0.351 -7.628 186 2HE2 GLN 16 2HE2 GLN 16 -18.184 -0.210 -7.003 187 H THR 17 H THR 17 -13.728 5.024 -7.830 188 HA THR 17 HA THR 17 -15.879 6.863 -7.185 189 HB THR 17 HB THR 17 -13.916 8.548 -7.590 190 HG1 THR 17 1HG THR 17 -12.385 7.300 -8.488 191 1HG2 THR 17 1HG2 THR 17 -13.180 6.878 -5.300 192 2HG2 THR 17 2HG2 THR 17 -14.865 7.395 -5.342 193 3HG2 THR 17 3HG2 THR 17 -13.573 8.594 -5.382 194 H ALA 18 H ALA 18 -15.236 5.301 -9.905 195 HA ALA 18 HA ALA 18 -15.154 7.491 -11.780 196 1HB ALA 18 1HB ALA 18 -14.045 5.415 -12.346 197 2HB ALA 18 2HB ALA 18 -15.349 5.729 -13.490 198 3HB ALA 18 3HB ALA 18 -15.567 4.535 -12.212 199 H GLY 19 H GLY 19 -16.811 8.196 -13.112 200 1HA GLY 19 2HA GLY 19 -19.124 7.586 -13.943 201 2HA GLY 19 1HA GLY 19 -19.515 7.393 -12.240 202 H TYR 20 H TYR 20 -17.685 9.761 -11.676 203 HA TYR 20 HA TYR 20 -19.745 11.777 -12.078 204 1HB TYR 20 2HB TYR 20 -17.183 12.074 -10.512 205 2HB TYR 20 1HB TYR 20 -18.646 13.046 -10.380 206 HD1 TYR 20 1HD TYR 20 -20.352 12.447 -8.877 207 HD2 TYR 20 2HD TYR 20 -17.279 9.645 -9.779 208 HE1 TYR 20 1HE TYR 20 -21.169 10.980 -7.080 209 HE2 TYR 20 2HE TYR 20 -18.088 8.172 -7.985 210 HH TYR 20 HH TYR 20 -19.565 8.755 -5.650 211 HA PRO 21 HA PRO 21 -17.549 13.583 -15.511 212 1HB PRO 21 2HB PRO 21 -19.054 16.043 -14.920 213 2HB PRO 21 1HB PRO 21 -19.085 15.028 -16.364 214 1HG PRO 21 2HG PRO 21 -21.146 15.107 -14.644 215 2HG PRO 21 1HG PRO 21 -20.696 13.622 -15.504 216 1HD PRO 21 2HD PRO 21 -20.122 14.424 -12.673 217 2HD PRO 21 1HD PRO 21 -20.613 12.844 -13.322 218 H GLY 22 H GLY 22 -15.793 13.520 -13.601 219 1HA GLY 22 2HA GLY 22 -14.018 15.479 -13.827 220 2HA GLY 22 1HA GLY 22 -15.128 16.201 -12.672 221 H VAL 23 H VAL 23 -14.139 12.815 -12.946 222 HA VAL 23 HA VAL 23 -13.401 12.844 -10.134 223 HB VAL 23 HB VAL 23 -14.810 11.009 -10.999 224 1HG1 VAL 23 1HG1 VAL 23 -12.365 10.064 -12.484 225 2HG1 VAL 23 2HG1 VAL 23 -13.704 10.920 -13.250 226 3HG1 VAL 23 3HG1 VAL 23 -13.978 9.352 -12.491 227 1HG2 VAL 23 1HG2 VAL 23 -13.576 10.562 -9.016 228 2HG2 VAL 23 2HG2 VAL 23 -12.094 10.271 -9.927 229 3HG2 VAL 23 3HG2 VAL 23 -13.440 9.136 -10.044 230 H HIS 24 H HIS 24 -11.399 13.140 -9.486 231 HA HIS 24 HA HIS 24 -9.188 12.287 -11.227 232 1HB HIS 24 2HB HIS 24 -9.822 14.931 -10.743 233 2HB HIS 24 1HB HIS 24 -8.568 14.610 -9.552 234 HD1 HIS 24 1HD HIS 24 -6.187 14.387 -10.391 235 HD2 HIS 24 2HD HIS 24 -8.978 14.651 -13.457 236 HE1 HIS 24 1HE HIS 24 -4.846 14.696 -12.495 237 HE2 HIS 24 2HE HIS 24 -6.552 14.760 -14.347 238 H VAL 25 H VAL 25 -9.249 10.378 -9.864 239 HA VAL 25 HA VAL 25 -8.084 10.830 -7.195 240 HB VAL 25 HB VAL 25 -9.545 8.360 -8.134 241 1HG1 VAL 25 1HG1 VAL 25 -8.566 9.246 -5.425 242 2HG1 VAL 25 2HG1 VAL 25 -7.997 7.869 -6.369 243 3HG1 VAL 25 3HG1 VAL 25 -9.627 7.865 -5.699 244 1HG2 VAL 25 1HG2 VAL 25 -10.798 10.042 -6.083 245 2HG2 VAL 25 2HG2 VAL 25 -11.514 9.208 -7.462 246 3HG2 VAL 25 3HG2 VAL 25 -10.728 10.770 -7.689 247 H SER 26 H SER 26 -5.938 10.932 -7.934 248 HA SER 26 HA SER 26 -4.745 8.327 -8.393 249 1HB SER 26 2HB SER 26 -5.289 9.657 -10.635 250 2HB SER 26 1HB SER 26 -3.782 10.475 -10.225 251 HG SER 26 HG SER 26 -2.845 8.332 -10.068 252 H ASP 27 H ASP 27 -4.819 10.549 -6.358 253 HA ASP 27 HA ASP 27 -1.920 10.703 -5.971 254 1HB ASP 27 2HB ASP 27 -3.715 13.069 -5.427 255 2HB ASP 27 1HB ASP 27 -1.956 13.019 -5.401 256 H LEU 28 H LEU 28 -1.258 10.785 -3.796 257 HA LEU 28 HA LEU 28 -3.308 9.849 -1.930 258 1HB LEU 28 2HB LEU 28 -0.296 9.789 -1.720 259 2HB LEU 28 1HB LEU 28 -1.406 9.113 -0.543 260 HG LEU 28 HG LEU 28 -1.508 8.169 -3.382 261 1HD1 LEU 28 1HD1 LEU 28 0.408 7.175 -1.277 262 2HD1 LEU 28 2HD1 LEU 28 0.843 8.027 -2.758 263 3HD1 LEU 28 3HD1 LEU 28 0.113 6.424 -2.845 264 1HD2 LEU 28 1HD2 LEU 28 -2.461 7.288 -0.726 265 2HD2 LEU 28 2HD2 LEU 28 -1.940 6.027 -1.843 266 3HD2 LEU 28 3HD2 LEU 28 -3.220 7.144 -2.312 267 H SER 29 H SER 29 -3.301 12.608 -2.545 268 HA SER 29 HA SER 29 -3.329 13.707 0.049 269 1HB SER 29 2HB SER 29 -0.990 13.875 0.064 270 2HB SER 29 1HB SER 29 -0.916 14.301 -1.646 271 HG SER 29 HG SER 29 -0.574 16.142 -0.408 272 H SER 30 H SER 30 -2.248 15.390 -2.878 273 HA SER 30 HA SER 30 -4.097 17.452 -2.708 274 1HB SER 30 2HB SER 30 -1.976 17.285 -4.149 275 2HB SER 30 1HB SER 30 -2.997 16.477 -5.339 276 HG SER 30 HG SER 30 -4.397 18.410 -5.079 277 H SER 31 H SER 31 -4.480 14.254 -4.008 278 HA SER 31 HA SER 31 -6.740 14.773 -5.643 279 1HB SER 31 2HB SER 31 -5.558 12.753 -6.058 280 2HB SER 31 1HB SER 31 -5.674 12.255 -4.371 281 HG SER 31 HG SER 31 -7.858 12.529 -6.165 282 H TRP 32 H TRP 32 -6.327 14.133 -2.237 283 HA TRP 32 HA TRP 32 -9.222 13.918 -1.865 284 1HB TRP 32 2HB TRP 32 -7.039 13.617 0.205 285 2HB TRP 32 1HB TRP 32 -8.735 13.172 0.381 286 HD1 TRP 32 HD TRP 32 -5.723 12.156 -1.854 287 HE1 TRP 32 1HE TRP 32 -5.910 9.632 -2.326 288 HE3 TRP 32 3HE TRP 32 -10.144 11.209 0.533 289 HZ2 TRP 32 2HZ TRP 32 -7.695 7.520 -1.762 290 HZ3 TRP 32 3HZ TRP 32 -11.024 8.910 0.519 291 HH2 TRP 32 HH TRP 32 -9.822 7.105 -0.605 292 H ALA 33 H ALA 33 -7.445 16.432 -2.391 293 HA ALA 33 HA ALA 33 -7.458 18.101 -0.177 294 1HB ALA 33 1HB ALA 33 -6.977 19.813 -1.615 295 2HB ALA 33 2HB ALA 33 -8.123 19.261 -2.836 296 3HB ALA 33 3HB ALA 33 -6.579 18.431 -2.635 297 H ASP 34 H ASP 34 -9.950 17.942 -2.731 298 HA ASP 34 HA ASP 34 -11.794 19.437 -1.065 299 1HB ASP 34 2HB ASP 34 -13.330 19.170 -3.049 300 2HB ASP 34 1HB ASP 34 -11.822 20.015 -3.383 301 H GLY 35 H GLY 35 -10.880 16.283 -1.118 302 1HA GLY 35 2HA GLY 35 -11.798 14.422 -0.133 303 2HA GLY 35 1HA GLY 35 -13.140 15.429 0.387 304 H LEU 36 H LEU 36 -12.095 14.893 -2.939 305 HA LEU 36 HA LEU 36 -14.758 14.216 -3.734 306 1HB LEU 36 2HB LEU 36 -12.257 14.902 -5.014 307 2HB LEU 36 1HB LEU 36 -13.020 13.545 -5.824 308 HG LEU 36 HG LEU 36 -13.636 15.699 -6.834 309 1HD1 LEU 36 1HD1 LEU 36 -16.021 15.326 -6.926 310 2HD1 LEU 36 2HD1 LEU 36 -15.959 14.371 -5.446 311 3HD1 LEU 36 3HD1 LEU 36 -15.178 13.777 -6.911 312 1HD2 LEU 36 1HD2 LEU 36 -14.017 16.442 -4.085 313 2HD2 LEU 36 2HD2 LEU 36 -15.498 16.722 -5.003 314 3HD2 LEU 36 3HD2 LEU 36 -13.983 17.459 -5.525 315 H ALA 37 H ALA 37 -11.792 12.408 -3.149 316 HA ALA 37 HA ALA 37 -12.637 9.961 -4.275 317 1HB ALA 37 1HB ALA 37 -10.506 10.756 -2.344 318 2HB ALA 37 2HB ALA 37 -10.361 10.038 -3.950 319 3HB ALA 37 3HB ALA 37 -10.870 9.047 -2.582 320 H LEU 38 H LEU 38 -12.725 11.170 -0.932 321 HA LEU 38 HA LEU 38 -13.960 8.840 0.130 322 1HB LEU 38 2HB LEU 38 -13.017 11.378 1.104 323 2HB LEU 38 1HB LEU 38 -14.602 11.040 1.773 324 HG LEU 38 HG LEU 38 -12.496 8.921 1.884 325 1HD1 LEU 38 1HD1 LEU 38 -11.179 10.519 2.857 326 2HD1 LEU 38 2HD1 LEU 38 -12.102 9.975 4.259 327 3HD1 LEU 38 3HD1 LEU 38 -12.554 11.464 3.428 328 1HD2 LEU 38 1HD2 LEU 38 -13.824 8.837 4.211 329 2HD2 LEU 38 2HD2 LEU 38 -14.368 8.002 2.757 330 3HD2 LEU 38 3HD2 LEU 38 -15.067 9.563 3.190 331 H CYS 39 H CYS 39 -15.155 11.914 -1.091 332 HA CYS 39 HA CYS 39 -17.857 11.553 -0.322 333 1HB CYS 39 2HB CYS 39 -16.387 13.359 -2.182 334 2HB CYS 39 1HB CYS 39 -18.131 13.231 -2.367 335 HG CYS 39 HG CYS 39 -17.176 15.153 -0.633 336 H ALA 40 H ALA 40 -16.154 11.010 -3.394 337 HA ALA 40 HA ALA 40 -18.306 10.148 -4.925 338 1HB ALA 40 1HB ALA 40 -16.450 8.760 -6.117 339 2HB ALA 40 2HB ALA 40 -15.367 9.628 -5.028 340 3HB ALA 40 3HB ALA 40 -16.391 10.522 -6.152 341 H LEU 41 H LEU 41 -16.216 8.308 -2.736 342 HA LEU 41 HA LEU 41 -17.218 5.752 -3.347 343 1HB LEU 41 2HB LEU 41 -16.020 6.803 -0.783 344 2HB LEU 41 1HB LEU 41 -16.313 5.107 -1.120 345 HG LEU 41 HG LEU 41 -14.602 6.688 -2.993 346 1HD1 LEU 41 1HD1 LEU 41 -13.953 6.925 -0.458 347 2HD1 LEU 41 2HD1 LEU 41 -12.726 6.614 -1.686 348 3HD1 LEU 41 3HD1 LEU 41 -13.336 5.291 -0.692 349 1HD2 LEU 41 1HD2 LEU 41 -13.905 4.665 -3.735 350 2HD2 LEU 41 2HD2 LEU 41 -15.473 4.166 -3.101 351 3HD2 LEU 41 3HD2 LEU 41 -14.014 3.919 -2.141 352 H VAL 42 H VAL 42 -18.100 8.017 -0.744 353 HA VAL 42 HA VAL 42 -20.110 6.440 0.408 354 HB VAL 42 HB VAL 42 -19.999 9.458 0.336 355 1HG1 VAL 42 1HG1 VAL 42 -22.149 8.468 1.084 356 2HG1 VAL 42 2HG1 VAL 42 -21.325 9.389 2.342 357 3HG1 VAL 42 3HG1 VAL 42 -21.275 7.626 2.363 358 1HG2 VAL 42 1HG2 VAL 42 -18.486 9.462 2.044 359 2HG2 VAL 42 2HG2 VAL 42 -17.976 7.988 1.220 360 3HG2 VAL 42 3HG2 VAL 42 -19.000 7.888 2.651 361 H TYR 43 H TYR 43 -20.343 9.029 -2.021 362 HA TYR 43 HA TYR 43 -23.101 9.032 -2.363 363 1HB TYR 43 2HB TYR 43 -21.488 10.681 -3.340 364 2HB TYR 43 1HB TYR 43 -21.058 9.473 -4.547 365 HD1 TYR 43 1HD TYR 43 -22.411 9.123 -6.458 366 HD2 TYR 43 2HD TYR 43 -23.828 11.576 -3.285 367 HE1 TYR 43 1HE TYR 43 -24.270 9.879 -7.880 368 HE2 TYR 43 2HE TYR 43 -25.691 12.338 -4.695 369 HH TYR 43 HH TYR 43 -26.170 12.539 -7.162 370 H ARG 44 H ARG 44 -20.650 6.937 -3.788 371 HA ARG 44 HA ARG 44 -22.291 5.671 -5.689 372 1HB ARG 44 2HB ARG 44 -19.625 5.361 -4.649 373 2HB ARG 44 1HB ARG 44 -20.389 3.786 -4.796 374 1HG ARG 44 2HG ARG 44 -21.038 5.018 -7.170 375 2HG ARG 44 1HG ARG 44 -19.396 5.579 -6.853 376 1HD ARG 44 2HD ARG 44 -19.035 3.621 -8.030 377 2HD ARG 44 1HD ARG 44 -18.901 3.087 -6.357 378 HE ARG 44 HE ARG 44 -21.137 2.561 -8.180 379 1HH1 ARG 44 1HH1 ARG 44 -19.586 2.021 -5.090 380 2HH1 ARG 44 2HH1 ARG 44 -20.586 0.667 -4.693 381 1HH2 ARG 44 1HH2 ARG 44 -22.443 0.781 -7.647 382 2HH2 ARG 44 2HH2 ARG 44 -22.202 -0.037 -6.139 383 H LEU 45 H LEU 45 -21.554 4.878 -2.316 384 HA LEU 45 HA LEU 45 -23.130 2.490 -2.316 385 1HB LEU 45 2HB LEU 45 -21.660 4.089 -0.282 386 2HB LEU 45 1HB LEU 45 -22.905 2.991 0.286 387 HG LEU 45 HG LEU 45 -20.610 2.026 0.314 388 1HD1 LEU 45 1HD1 LEU 45 -22.943 0.813 -0.226 389 2HD1 LEU 45 2HD1 LEU 45 -21.409 -0.046 -0.080 390 3HD1 LEU 45 3HD1 LEU 45 -22.034 0.378 -1.673 391 1HD2 LEU 45 1HD2 LEU 45 -19.580 1.369 -1.792 392 2HD2 LEU 45 2HD2 LEU 45 -19.764 3.120 -1.706 393 3HD2 LEU 45 3HD2 LEU 45 -20.874 2.164 -2.688 394 H GLN 46 H GLN 46 -23.623 5.828 -1.285 395 HA GLN 46 HA GLN 46 -26.507 5.368 -1.303 396 1HB GLN 46 2HB GLN 46 -24.905 5.911 1.088 397 2HB GLN 46 1HB GLN 46 -26.231 7.047 0.870 398 1HG GLN 46 2HG GLN 46 -27.806 5.499 1.299 399 2HG GLN 46 1HG GLN 46 -26.908 4.206 0.508 400 1HE2 GLN 46 1HE2 GLN 46 -27.595 5.812 3.462 401 2HE2 GLN 46 2HE2 GLN 46 -26.683 4.774 4.498 402 HA PRO 47 HA PRO 47 -25.240 9.307 -3.384 403 1HB PRO 47 2HB PRO 47 -26.807 8.987 -5.565 404 2HB PRO 47 1HB PRO 47 -25.200 8.262 -5.436 405 1HG PRO 47 2HG PRO 47 -27.884 7.012 -4.983 406 2HG PRO 47 1HG PRO 47 -26.476 6.359 -5.843 407 1HD PRO 47 2HD PRO 47 -27.101 5.656 -3.297 408 2HD PRO 47 1HD PRO 47 -25.432 5.710 -3.897 409 H GLY 48 H GLY 48 -28.365 7.839 -2.754 410 1HA GLY 48 2HA GLY 48 -29.921 10.183 -3.170 411 2HA GLY 48 1HA GLY 48 -30.427 8.747 -2.293 412 H LEU 49 H LEU 49 -28.270 8.844 -0.369 413 HA LEU 49 HA LEU 49 -29.366 10.951 1.332 414 1HB LEU 49 2HB LEU 49 -28.396 8.277 1.751 415 2HB LEU 49 1HB LEU 49 -27.519 9.391 2.781 416 HG LEU 49 HG LEU 49 -30.519 9.061 2.687 417 1HD1 LEU 49 1HD1 LEU 49 -29.359 7.187 3.746 418 2HD1 LEU 49 2HD1 LEU 49 -30.265 8.138 4.923 419 3HD1 LEU 49 3HD1 LEU 49 -28.514 8.311 4.811 420 1HD2 LEU 49 1HD2 LEU 49 -29.252 11.356 3.287 421 2HD2 LEU 49 2HD2 LEU 49 -29.212 10.564 4.860 422 3HD2 LEU 49 3HD2 LEU 49 -30.755 10.842 4.053 423 H LEU 50 H LEU 50 -27.288 11.349 -0.849 424 HA LEU 50 HA LEU 50 -25.487 12.947 0.799 425 1HB LEU 50 2HB LEU 50 -24.703 10.517 -0.453 426 2HB LEU 50 1HB LEU 50 -23.924 11.832 -1.312 427 HG LEU 50 HG LEU 50 -23.120 12.661 0.955 428 1HD1 LEU 50 1HD1 LEU 50 -24.335 11.624 2.590 429 2HD1 LEU 50 2HD1 LEU 50 -22.925 10.569 2.537 430 3HD1 LEU 50 3HD1 LEU 50 -24.413 10.094 1.720 431 1HD2 LEU 50 1HD2 LEU 50 -22.191 10.025 -0.170 432 2HD2 LEU 50 2HD2 LEU 50 -21.304 10.942 1.048 433 3HD2 LEU 50 3HD2 LEU 50 -21.580 11.637 -0.550 434 H GLU 51 H GLU 51 -24.157 14.445 -0.558 435 HA GLU 51 HA GLU 51 -25.097 15.027 -3.218 436 1HB GLU 51 2HB GLU 51 -26.042 16.557 -0.865 437 2HB GLU 51 1HB GLU 51 -25.504 17.516 -2.236 438 1HG GLU 51 2HG GLU 51 -27.591 15.350 -2.351 439 2HG GLU 51 1HG GLU 51 -27.920 17.079 -2.257 440 HA PRO 52 HA PRO 52 -20.712 16.270 -1.730 441 1HB PRO 52 2HB PRO 52 -19.439 14.609 -3.530 442 2HB PRO 52 1HB PRO 52 -19.740 14.219 -1.834 443 1HG PRO 52 2HG PRO 52 -21.281 13.414 -4.266 444 2HG PRO 52 1HG PRO 52 -20.860 12.455 -2.834 445 1HD PRO 52 2HD PRO 52 -23.314 13.478 -3.153 446 2HD PRO 52 1HD PRO 52 -22.550 13.397 -1.552 447 H SER 53 H SER 53 -22.494 15.996 -4.687 448 HA SER 53 HA SER 53 -20.750 17.140 -6.518 449 1HB SER 53 2HB SER 53 -23.755 17.414 -6.296 450 2HB SER 53 1HB SER 53 -22.818 17.937 -7.694 451 HG SER 53 HG SER 53 -23.127 15.954 -8.326 452 H GLU 54 H GLU 54 -22.952 18.687 -4.232 453 HA GLU 54 HA GLU 54 -22.293 21.351 -5.016 454 1HB GLU 54 2HB GLU 54 -23.976 20.051 -2.997 455 2HB GLU 54 1HB GLU 54 -23.263 21.562 -2.449 456 1HG GLU 54 2HG GLU 54 -24.895 22.629 -3.487 457 2HG GLU 54 1HG GLU 54 -24.208 22.090 -5.018 458 H LEU 55 H LEU 55 -21.395 19.326 -2.236 459 HA LEU 55 HA LEU 55 -19.619 21.208 -1.087 460 1HB LEU 55 2HB LEU 55 -19.521 18.220 -0.734 461 2HB LEU 55 1HB LEU 55 -18.948 19.448 0.379 462 HG LEU 55 HG LEU 55 -21.822 19.589 -0.269 463 1HD1 LEU 55 1HD1 LEU 55 -20.570 17.143 0.796 464 2HD1 LEU 55 2HD1 LEU 55 -22.108 17.364 -0.038 465 3HD1 LEU 55 3HD1 LEU 55 -21.973 17.744 1.679 466 1HD2 LEU 55 1HD2 LEU 55 -21.645 19.612 2.396 467 2HD2 LEU 55 2HD2 LEU 55 -21.351 21.040 1.405 468 3HD2 LEU 55 3HD2 LEU 55 -19.993 20.086 2.001 469 H GLN 56 H GLN 56 -19.301 19.341 -3.874 470 HA GLN 56 HA GLN 56 -16.618 18.562 -3.793 471 1HB GLN 56 2HB GLN 56 -18.157 17.749 -5.497 472 2HB GLN 56 1HB GLN 56 -18.319 19.371 -6.155 473 1HG GLN 56 2HG GLN 56 -15.553 18.585 -6.058 474 2HG GLN 56 1HG GLN 56 -16.516 17.395 -6.932 475 1HE2 GLN 56 1HE2 GLN 56 -17.270 17.874 -8.922 476 2HE2 GLN 56 2HE2 GLN 56 -16.974 19.364 -9.744 477 H GLY 57 H GLY 57 -18.112 21.606 -4.752 478 1HA GLY 57 2HA GLY 57 -15.398 22.777 -4.875 479 2HA GLY 57 1HA GLY 57 -16.699 23.281 -5.944 480 H LEU 58 H LEU 58 -18.359 22.821 -3.254 481 HA LEU 58 HA LEU 58 -18.545 25.581 -2.636 482 1HB LEU 58 2HB LEU 58 -19.806 23.080 -1.720 483 2HB LEU 58 1HB LEU 58 -19.764 24.368 -0.531 484 HG LEU 58 HG LEU 58 -20.695 25.245 -3.168 485 1HD1 LEU 58 1HD1 LEU 58 -21.855 22.861 -1.915 486 2HD1 LEU 58 2HD1 LEU 58 -21.987 23.456 -3.570 487 3HD1 LEU 58 3HD1 LEU 58 -23.015 24.131 -2.307 488 1HD2 LEU 58 1HD2 LEU 58 -20.853 26.699 -1.278 489 2HD2 LEU 58 2HD2 LEU 58 -21.709 25.475 -0.340 490 3HD2 LEU 58 3HD2 LEU 58 -22.488 26.223 -1.735 491 H GLY 59 H GLY 59 -16.609 22.981 -1.405 492 1HA GLY 59 2HA GLY 59 -14.811 24.583 -0.051 493 2HA GLY 59 1HA GLY 59 -16.024 24.133 1.136 494 H ALA 60 H ALA 60 -13.103 23.442 0.731 495 HA ALA 60 HA ALA 60 -13.042 20.634 0.169 496 1HB ALA 60 1HB ALA 60 -11.153 22.561 0.165 497 2HB ALA 60 2HB ALA 60 -10.798 20.835 0.238 498 3HB ALA 60 3HB ALA 60 -10.823 21.794 1.718 499 H LEU 61 H LEU 61 -12.412 22.479 3.160 500 HA LEU 61 HA LEU 61 -12.389 20.258 4.869 501 1HB LEU 61 2HB LEU 61 -11.791 22.854 5.178 502 2HB LEU 61 1HB LEU 61 -13.374 22.847 5.932 503 HG LEU 61 HG LEU 61 -11.698 22.558 7.631 504 1HD1 LEU 61 1HD1 LEU 61 -12.638 19.766 7.441 505 2HD1 LEU 61 2HD1 LEU 61 -13.877 21.020 7.399 506 3HD1 LEU 61 3HD1 LEU 61 -12.767 20.923 8.766 507 1HD2 LEU 61 1HD2 LEU 61 -10.451 20.208 7.407 508 2HD2 LEU 61 2HD2 LEU 61 -9.770 21.715 6.795 509 3HD2 LEU 61 3HD2 LEU 61 -10.599 20.611 5.696 510 H GLU 62 H GLU 62 -15.015 22.335 3.776 511 HA GLU 62 HA GLU 62 -16.994 21.384 5.546 512 1HB GLU 62 2HB GLU 62 -17.067 23.465 4.066 513 2HB GLU 62 1HB GLU 62 -17.518 22.386 2.751 514 1HG GLU 62 2HG GLU 62 -19.375 21.603 4.397 515 2HG GLU 62 1HG GLU 62 -19.054 23.146 5.189 516 H ALA 63 H ALA 63 -16.019 20.360 2.300 517 HA ALA 63 HA ALA 63 -18.041 18.438 1.922 518 1HB ALA 63 1HB ALA 63 -16.842 17.730 0.043 519 2HB ALA 63 2HB ALA 63 -15.293 18.204 0.740 520 3HB ALA 63 3HB ALA 63 -16.433 19.438 0.200 521 H THR 64 H THR 64 -14.763 18.185 3.249 522 HA THR 64 HA THR 64 -14.794 15.383 3.611 523 HB THR 64 HB THR 64 -13.206 17.451 5.144 524 HG1 THR 64 1HG THR 64 -11.611 16.995 3.552 525 1HG2 THR 64 1HG2 THR 64 -13.151 15.182 6.127 526 2HG2 THR 64 2HG2 THR 64 -11.587 15.741 5.534 527 3HG2 THR 64 3HG2 THR 64 -12.520 14.577 4.594 528 H ALA 65 H ALA 65 -15.382 18.054 5.892 529 HA ALA 65 HA ALA 65 -15.958 16.467 8.126 530 1HB ALA 65 1HB ALA 65 -16.400 19.286 7.361 531 2HB ALA 65 2HB ALA 65 -15.646 18.604 8.802 532 3HB ALA 65 3HB ALA 65 -17.403 18.655 8.666 533 H TRP 66 H TRP 66 -18.085 17.804 5.625 534 HA TRP 66 HA TRP 66 -20.507 16.901 6.775 535 1HB TRP 66 2HB TRP 66 -20.091 18.653 4.892 536 2HB TRP 66 1HB TRP 66 -20.149 17.260 3.816 537 HD1 TRP 66 HD TRP 66 -22.364 19.479 5.960 538 HE1 TRP 66 1HE TRP 66 -24.829 18.917 5.482 539 HE3 TRP 66 3HE TRP 66 -21.700 15.291 3.103 540 HZ2 TRP 66 2HZ TRP 66 -26.298 16.957 4.078 541 HZ3 TRP 66 3HZ TRP 66 -23.688 14.131 2.232 542 HH2 TRP 66 HH TRP 66 -25.939 14.948 2.711 543 H ALA 67 H ALA 67 -18.442 15.556 4.214 544 HA ALA 67 HA ALA 67 -20.034 13.273 3.729 545 1HB ALA 67 1HB ALA 67 -17.087 13.235 3.266 546 2HB ALA 67 2HB ALA 67 -18.099 14.340 2.336 547 3HB ALA 67 3HB ALA 67 -18.393 12.603 2.264 548 H LEU 68 H LEU 68 -17.346 13.897 5.923 549 HA LEU 68 HA LEU 68 -16.891 11.233 6.713 550 1HB LEU 68 2HB LEU 68 -15.404 13.244 7.109 551 2HB LEU 68 1HB LEU 68 -16.475 13.672 8.429 552 HG LEU 68 HG LEU 68 -15.926 11.166 9.169 553 1HD1 LEU 68 1HD1 LEU 68 -13.543 10.700 8.746 554 2HD1 LEU 68 2HD1 LEU 68 -13.503 12.051 7.612 555 3HD1 LEU 68 3HD1 LEU 68 -14.518 10.648 7.277 556 1HD2 LEU 68 1HD2 LEU 68 -15.593 13.012 10.625 557 2HD2 LEU 68 2HD2 LEU 68 -14.276 13.640 9.635 558 3HD2 LEU 68 3HD2 LEU 68 -14.059 12.143 10.542 559 H LYS 69 H LYS 69 -18.924 13.782 8.131 560 HA LYS 69 HA LYS 69 -19.815 12.261 10.332 561 1HB LYS 69 2HB LYS 69 -19.980 14.818 9.864 562 2HB LYS 69 1HB LYS 69 -21.493 14.403 9.071 563 1HG LYS 69 2HG LYS 69 -21.094 13.309 11.782 564 2HG LYS 69 1HG LYS 69 -21.315 15.056 11.656 565 1HD LYS 69 2HD LYS 69 -23.182 13.436 10.061 566 2HD LYS 69 1HD LYS 69 -23.344 13.266 11.810 567 1HE LYS 69 2HE LYS 69 -23.695 15.607 12.081 568 2HE LYS 69 1HE LYS 69 -23.259 15.928 10.404 569 1HZ LYS 69 1HZ LYS 69 -25.270 14.277 10.016 570 2HZ LYS 69 2HZ LYS 69 -25.499 15.942 10.204 571 3HZ LYS 69 3HZ LYS 69 -25.754 14.901 11.512 572 H VAL 70 H VAL 70 -21.313 12.899 7.167 573 HA VAL 70 HA VAL 70 -23.609 11.304 7.662 574 HB VAL 70 HB VAL 70 -24.004 11.437 5.231 575 1HG1 VAL 70 1HG1 VAL 70 -24.951 13.296 6.093 576 2HG1 VAL 70 2HG1 VAL 70 -23.659 14.106 5.209 577 3HG1 VAL 70 3HG1 VAL 70 -23.481 13.787 6.934 578 1HG2 VAL 70 1HG2 VAL 70 -21.190 12.426 5.248 579 2HG2 VAL 70 2HG2 VAL 70 -22.312 13.037 4.033 580 3HG2 VAL 70 3HG2 VAL 70 -21.984 11.307 4.141 581 H ALA 71 H ALA 71 -20.490 10.663 6.134 582 HA ALA 71 HA ALA 71 -21.021 8.163 5.035 583 1HB ALA 71 1HB ALA 71 -18.973 9.155 4.456 584 2HB ALA 71 2HB ALA 71 -18.532 7.756 5.436 585 3HB ALA 71 3HB ALA 71 -18.503 9.372 6.143 586 H GLU 72 H GLU 72 -19.903 9.005 8.293 587 HA GLU 72 HA GLU 72 -19.799 6.320 9.221 588 1HB GLU 72 2HB GLU 72 -19.576 7.308 11.453 589 2HB GLU 72 1HB GLU 72 -18.507 8.094 10.299 590 1HG GLU 72 2HG GLU 72 -19.865 10.018 10.203 591 2HG GLU 72 1HG GLU 72 -21.195 9.212 11.032 592 H ASN 73 H ASN 73 -22.240 8.846 9.242 593 HA ASN 73 HA ASN 73 -24.062 7.518 10.961 594 1HB ASN 73 2HB ASN 73 -24.057 9.926 9.279 595 2HB ASN 73 1HB ASN 73 -25.638 9.170 9.453 596 1HD2 ASN 73 1HD2 ASN 73 -22.862 10.316 11.312 597 2HD2 ASN 73 2HD2 ASN 73 -23.768 10.800 12.701 598 H GLU 74 H GLU 74 -23.709 7.650 7.442 599 HA GLU 74 HA GLU 74 -26.060 6.053 6.986 600 1HB GLU 74 2HB GLU 74 -23.952 7.279 5.262 601 2HB GLU 74 1HB GLU 74 -24.972 6.012 4.594 602 1HG GLU 74 2HG GLU 74 -26.623 7.441 4.261 603 2HG GLU 74 1HG GLU 74 -26.596 7.933 5.954 604 H LEU 75 H LEU 75 -22.554 5.491 6.847 605 HA LEU 75 HA LEU 75 -23.007 2.696 6.161 606 1HB LEU 75 2HB LEU 75 -20.499 4.335 6.460 607 2HB LEU 75 1HB LEU 75 -20.487 2.613 6.135 608 HG LEU 75 HG LEU 75 -21.933 3.196 4.077 609 1HD1 LEU 75 1HD1 LEU 75 -20.763 5.897 4.722 610 2HD1 LEU 75 2HD1 LEU 75 -22.475 5.474 4.657 611 3HD1 LEU 75 3HD1 LEU 75 -21.505 5.455 3.185 612 1HD2 LEU 75 1HD2 LEU 75 -19.148 4.262 3.889 613 2HD2 LEU 75 2HD2 LEU 75 -20.038 3.244 2.757 614 3HD2 LEU 75 3HD2 LEU 75 -19.423 2.561 4.263 615 H GLY 76 H GLY 76 -21.977 4.627 8.904 616 1HA GLY 76 2HA GLY 76 -22.117 3.940 11.148 617 2HA GLY 76 1HA GLY 76 -22.273 2.277 10.603 618 H ILE 77 H ILE 77 -19.751 4.367 9.413 619 HA ILE 77 HA ILE 77 -17.780 2.690 10.812 620 HB ILE 77 HB ILE 77 -17.306 4.402 8.371 621 1HG1 ILE 77 2HG1 ILE 77 -17.558 1.404 8.346 622 2HG1 ILE 77 1HG1 ILE 77 -18.976 2.429 8.156 623 1HG2 ILE 77 1HG2 ILE 77 -15.298 2.946 8.145 624 2HG2 ILE 77 2HG2 ILE 77 -15.678 2.259 9.723 625 3HG2 ILE 77 3HG2 ILE 77 -15.286 3.972 9.579 626 1HD1 ILE 77 1HD1 ILE 77 -18.502 2.810 6.026 627 2HD1 ILE 77 2HD1 ILE 77 -17.268 1.557 6.162 628 3HD1 ILE 77 3HD1 ILE 77 -16.837 3.251 6.403 629 H THR 78 H THR 78 -16.623 3.579 12.384 630 HA THR 78 HA THR 78 -16.855 6.359 13.008 631 HB THR 78 HB THR 78 -15.003 4.298 14.218 632 HG1 THR 78 1HG THR 78 -17.226 3.708 14.326 633 1HG2 THR 78 1HG2 THR 78 -14.810 6.891 14.697 634 2HG2 THR 78 2HG2 THR 78 -14.613 5.681 15.965 635 3HG2 THR 78 3HG2 THR 78 -16.149 6.528 15.785 636 HA PRO 79 HA PRO 79 -13.557 7.886 10.422 637 1HB PRO 79 2HB PRO 79 -13.353 9.943 12.565 638 2HB PRO 79 1HB PRO 79 -13.532 10.149 10.819 639 1HG PRO 79 2HG PRO 79 -15.591 10.568 12.455 640 2HG PRO 79 1HG PRO 79 -15.822 9.791 10.878 641 1HD PRO 79 2HD PRO 79 -15.769 8.572 13.604 642 2HD PRO 79 1HD PRO 79 -16.771 8.154 12.198 643 H VAL 80 H VAL 80 -11.318 7.926 10.419 644 HA VAL 80 HA VAL 80 -9.989 7.224 12.954 645 HB VAL 80 HB VAL 80 -9.228 6.100 10.259 646 1HG1 VAL 80 1HG1 VAL 80 -7.307 5.892 11.459 647 2HG1 VAL 80 2HG1 VAL 80 -8.129 4.433 12.014 648 3HG1 VAL 80 3HG1 VAL 80 -8.145 5.888 13.011 649 1HG2 VAL 80 1HG2 VAL 80 -11.152 5.160 12.303 650 2HG2 VAL 80 2HG2 VAL 80 -10.086 3.950 11.589 651 3HG2 VAL 80 3HG2 VAL 80 -11.142 4.916 10.558 652 H VAL 81 H VAL 81 -10.230 9.540 10.663 653 HA VAL 81 HA VAL 81 -7.556 10.544 11.252 654 HB VAL 81 HB VAL 81 -7.266 11.249 8.855 655 1HG1 VAL 81 1HG1 VAL 81 -6.333 9.110 10.071 656 2HG1 VAL 81 2HG1 VAL 81 -6.080 9.357 8.343 657 3HG1 VAL 81 3HG1 VAL 81 -7.355 8.274 8.902 658 1HG2 VAL 81 1HG2 VAL 81 -9.034 9.079 7.938 659 2HG2 VAL 81 2HG2 VAL 81 -8.679 10.644 7.205 660 3HG2 VAL 81 3HG2 VAL 81 -9.843 10.531 8.526 661 H SER 82 H SER 82 -7.320 12.849 10.733 662 HA SER 82 HA SER 82 -9.793 14.260 11.290 663 1HB SER 82 2HB SER 82 -7.130 14.637 12.033 664 2HB SER 82 1HB SER 82 -7.458 15.954 10.908 665 HG SER 82 HG SER 82 -7.996 16.193 13.279 666 H ALA 83 H ALA 83 -10.452 16.145 10.086 667 HA ALA 83 HA ALA 83 -10.547 15.694 7.303 668 1HB ALA 83 1HB ALA 83 -12.078 17.367 7.240 669 2HB ALA 83 2HB ALA 83 -11.148 18.409 8.319 670 3HB ALA 83 3HB ALA 83 -12.094 17.074 8.979 671 H GLN 84 H GLN 84 -8.721 18.012 9.269 672 HA GLN 84 HA GLN 84 -7.553 19.415 7.124 673 1HB GLN 84 2HB GLN 84 -7.642 19.953 9.682 674 2HB GLN 84 1HB GLN 84 -6.133 19.053 9.737 675 1HG GLN 84 2HG GLN 84 -5.525 20.677 7.737 676 2HG GLN 84 1HG GLN 84 -6.733 21.690 8.528 677 1HE2 GLN 84 1HE2 GLN 84 -3.522 20.741 8.483 678 2HE2 GLN 84 2HE2 GLN 84 -3.029 21.418 9.995 679 H ALA 85 H ALA 85 -6.664 16.455 8.775 680 HA ALA 85 HA ALA 85 -4.031 16.256 7.741 681 1HB ALA 85 1HB ALA 85 -5.118 15.006 9.721 682 2HB ALA 85 2HB ALA 85 -3.948 14.151 8.715 683 3HB ALA 85 3HB ALA 85 -5.674 13.870 8.492 684 H VAL 86 H VAL 86 -7.129 14.852 6.699 685 HA VAL 86 HA VAL 86 -6.017 13.457 4.485 686 HB VAL 86 HB VAL 86 -8.140 12.770 5.484 687 1HG1 VAL 86 1HG1 VAL 86 -9.010 14.985 6.040 688 2HG1 VAL 86 2HG1 VAL 86 -10.185 14.041 5.124 689 3HG1 VAL 86 3HG1 VAL 86 -9.263 15.316 4.328 690 1HG2 VAL 86 1HG2 VAL 86 -7.640 13.112 2.688 691 2HG2 VAL 86 2HG2 VAL 86 -9.371 13.246 2.993 692 3HG2 VAL 86 3HG2 VAL 86 -8.493 11.808 3.513 693 H VAL 87 H VAL 87 -7.664 16.585 4.815 694 HA VAL 87 HA VAL 87 -7.753 17.196 2.062 695 HB VAL 87 HB VAL 87 -7.621 19.137 4.377 696 1HG1 VAL 87 1HG1 VAL 87 -7.406 20.583 2.657 697 2HG1 VAL 87 2HG1 VAL 87 -9.146 20.340 2.509 698 3HG1 VAL 87 3HG1 VAL 87 -8.039 19.439 1.473 699 1HG2 VAL 87 1HG2 VAL 87 -10.186 18.447 3.065 700 2HG2 VAL 87 2HG2 VAL 87 -9.848 18.872 4.741 701 3HG2 VAL 87 3HG2 VAL 87 -9.490 17.250 4.155 702 H ALA 88 H ALA 88 -5.330 17.800 4.556 703 HA ALA 88 HA ALA 88 -3.636 19.292 2.748 704 1HB ALA 88 1HB ALA 88 -2.306 19.774 4.576 705 2HB ALA 88 2HB ALA 88 -2.731 18.280 5.412 706 3HB ALA 88 3HB ALA 88 -3.899 19.600 5.311 707 H GLY 89 H GLY 89 -4.163 16.009 3.443 708 1HA GLY 89 2HA GLY 89 -3.099 14.103 2.742 709 2HA GLY 89 1HA GLY 89 -2.218 15.121 1.614 710 H SER 90 H SER 90 -2.095 15.596 5.077 711 HA SER 90 HA SER 90 0.765 14.967 5.001 712 1HB SER 90 2HB SER 90 0.554 16.059 7.397 713 2HB SER 90 1HB SER 90 0.584 17.069 5.952 714 HG SER 90 HG SER 90 -1.509 16.506 7.692 715 H ASP 91 H ASP 91 -1.261 12.879 5.060 716 HA ASP 91 HA ASP 91 -0.166 11.318 7.201 717 1HB ASP 91 2HB ASP 91 -2.237 12.767 8.054 718 2HB ASP 91 1HB ASP 91 -3.140 11.442 7.326 719 HA PRO 92 HA PRO 92 -1.453 9.112 3.273 720 1HB PRO 92 2HB PRO 92 0.873 7.652 3.156 721 2HB PRO 92 1HB PRO 92 0.632 9.205 2.348 722 1HG PRO 92 2HG PRO 92 1.989 8.609 4.947 723 2HG PRO 92 1HG PRO 92 2.474 9.729 3.660 724 1HD PRO 92 2HD PRO 92 1.291 10.595 5.911 725 2HD PRO 92 1HD PRO 92 0.971 11.357 4.339 726 H LEU 93 H LEU 93 0.274 7.866 6.119 727 HA LEU 93 HA LEU 93 -0.516 5.198 5.917 728 1HB LEU 93 2HB LEU 93 0.343 6.948 8.183 729 2HB LEU 93 1HB LEU 93 -0.265 5.338 8.526 730 HG LEU 93 HG LEU 93 2.043 5.885 6.662 731 1HD1 LEU 93 1HD1 LEU 93 3.535 5.664 8.369 732 2HD1 LEU 93 2HD1 LEU 93 2.435 4.702 9.356 733 3HD1 LEU 93 3HD1 LEU 93 2.219 6.448 9.241 734 1HD2 LEU 93 1HD2 LEU 93 1.433 3.786 6.070 735 2HD2 LEU 93 2HD2 LEU 93 0.608 3.475 7.597 736 3HD2 LEU 93 3HD2 LEU 93 2.366 3.369 7.507 737 H GLY 94 H GLY 94 -2.157 7.986 7.300 738 1HA GLY 94 2HA GLY 94 -4.255 6.487 8.533 739 2HA GLY 94 1HA GLY 94 -4.251 8.218 8.236 740 H LEU 95 H LEU 95 -3.974 8.224 5.454 741 HA LEU 95 HA LEU 95 -6.635 7.937 4.633 742 1HB LEU 95 2HB LEU 95 -4.160 8.038 2.905 743 2HB LEU 95 1HB LEU 95 -5.800 8.346 2.368 744 HG LEU 95 HG LEU 95 -4.453 10.014 4.482 745 1HD1 LEU 95 1HD1 LEU 95 -3.485 9.865 1.974 746 2HD1 LEU 95 2HD1 LEU 95 -3.457 11.332 2.952 747 3HD1 LEU 95 3HD1 LEU 95 -4.732 11.093 1.757 748 1HD2 LEU 95 1HD2 LEU 95 -7.064 9.857 3.868 749 2HD2 LEU 95 2HD2 LEU 95 -6.549 11.074 2.700 750 3HD2 LEU 95 3HD2 LEU 95 -6.281 11.337 4.423 751 H ILE 96 H ILE 96 -3.824 5.836 4.140 752 HA ILE 96 HA ILE 96 -5.162 3.943 2.506 753 HB ILE 96 HB ILE 96 -2.743 3.477 4.255 754 1HG1 ILE 96 2HG1 ILE 96 -2.774 4.243 1.334 755 2HG1 ILE 96 1HG1 ILE 96 -2.597 5.423 2.627 756 1HG2 ILE 96 1HG2 ILE 96 -4.135 1.897 2.180 757 2HG2 ILE 96 2HG2 ILE 96 -3.213 1.365 3.586 758 3HG2 ILE 96 3HG2 ILE 96 -2.371 1.895 2.130 759 1HD1 ILE 96 1HD1 ILE 96 -0.419 5.012 1.997 760 2HD1 ILE 96 2HD1 ILE 96 -0.708 3.291 1.745 761 3HD1 ILE 96 3HD1 ILE 96 -0.624 3.940 3.383 762 H ALA 97 H ALA 97 -4.570 4.153 5.987 763 HA ALA 97 HA ALA 97 -5.554 1.622 6.698 764 1HB ALA 97 1HB ALA 97 -5.136 2.268 8.807 765 2HB ALA 97 2HB ALA 97 -6.050 3.766 8.638 766 3HB ALA 97 3HB ALA 97 -4.391 3.674 8.048 767 H TYR 98 H TYR 98 -7.177 4.741 6.318 768 HA TYR 98 HA TYR 98 -9.713 3.859 7.243 769 1HB TYR 98 2HB TYR 98 -8.734 6.286 6.855 770 2HB TYR 98 1HB TYR 98 -9.478 6.092 5.271 771 HD1 TYR 98 1HD TYR 98 -11.342 7.482 5.273 772 HD2 TYR 98 2HD TYR 98 -10.647 4.956 8.624 773 HE1 TYR 98 1HE TYR 98 -13.517 8.142 6.213 774 HE2 TYR 98 2HE TYR 98 -12.820 5.608 9.574 775 HH TYR 98 HH TYR 98 -14.620 8.233 8.412 776 H LEU 99 H LEU 99 -8.238 4.116 4.040 777 HA LEU 99 HA LEU 99 -10.489 3.487 2.504 778 1HB LEU 99 2HB LEU 99 -7.735 3.908 2.063 779 2HB LEU 99 1HB LEU 99 -8.113 2.351 1.348 780 HG LEU 99 HG LEU 99 -9.881 4.676 0.729 781 1HD1 LEU 99 1HD1 LEU 99 -8.454 5.394 -1.066 782 2HD1 LEU 99 2HD1 LEU 99 -7.262 4.156 -0.668 783 3HD1 LEU 99 3HD1 LEU 99 -7.559 5.488 0.449 784 1HD2 LEU 99 1HD2 LEU 99 -8.934 2.271 -0.827 785 2HD2 LEU 99 2HD2 LEU 99 -10.058 3.494 -1.418 786 3HD2 LEU 99 3HD2 LEU 99 -10.508 2.467 -0.056 787 H SER 100 H SER 100 -8.250 1.455 4.271 788 HA SER 100 HA SER 100 -8.941 -1.022 3.128 789 1HB SER 100 2HB SER 100 -7.011 -0.359 4.789 790 2HB SER 100 1HB SER 100 -8.189 -0.809 6.022 791 HG SER 100 HG SER 100 -6.943 -2.602 5.452 792 H HIS 101 H HIS 101 -10.357 0.857 5.741 793 HA HIS 101 HA HIS 101 -12.148 -1.166 6.633 794 1HB HIS 101 2HB HIS 101 -11.349 1.140 7.720 795 2HB HIS 101 1HB HIS 101 -12.844 1.708 6.985 796 HD1 HIS 101 1HD HIS 101 -15.040 0.961 8.048 797 HD2 HIS 101 2HD HIS 101 -11.686 -0.741 9.813 798 HE1 HIS 101 1HE HIS 101 -15.871 -0.129 10.156 799 HE2 HIS 101 2HE HIS 101 -13.839 -1.231 11.160 800 H PHE 102 H PHE 102 -12.381 1.481 4.315 801 HA PHE 102 HA PHE 102 -15.159 1.220 3.816 802 1HB PHE 102 2HB PHE 102 -12.873 2.569 2.436 803 2HB PHE 102 1HB PHE 102 -14.400 2.387 1.577 804 HD1 PHE 102 1HD PHE 102 -12.589 4.662 3.300 805 HD2 PHE 102 2HD PHE 102 -16.477 2.935 3.348 806 HE1 PHE 102 1HE PHE 102 -13.458 6.663 4.439 807 HE2 PHE 102 2HE PHE 102 -17.354 4.932 4.486 808 HZ PHE 102 HZ PHE 102 -15.845 6.800 5.032 809 H HIS 103 H HIS 103 -12.279 -0.197 2.363 810 HA HIS 103 HA HIS 103 -13.524 -1.397 0.142 811 1HB HIS 103 2HB HIS 103 -11.069 -1.113 0.394 812 2HB HIS 103 1HB HIS 103 -11.077 -2.355 1.640 813 HD1 HIS 103 1HD HIS 103 -10.849 -4.720 0.869 814 HD2 HIS 103 2HD HIS 103 -11.824 -2.133 -2.233 815 HE1 HIS 103 1HE HIS 103 -10.700 -6.099 -1.227 816 HE2 HIS 103 2HE HIS 103 -11.380 -4.536 -3.082 817 H SER 104 H SER 104 -12.751 -2.690 3.364 818 HA SER 104 HA SER 104 -13.743 -5.273 2.967 819 1HB SER 104 2HB SER 104 -13.726 -3.701 5.554 820 2HB SER 104 1HB SER 104 -13.802 -5.456 5.397 821 HG SER 104 HG SER 104 -11.713 -5.413 5.352 822 H ALA 105 H ALA 105 -15.360 -2.299 3.932 823 HA ALA 105 HA ALA 105 -17.872 -3.584 4.470 824 1HB ALA 105 1HB ALA 105 -17.406 -0.647 4.004 825 2HB ALA 105 2HB ALA 105 -17.085 -1.450 5.541 826 3HB ALA 105 3HB ALA 105 -18.725 -1.408 4.895 827 H PHE 106 H PHE 106 -16.472 -1.740 1.800 828 HA PHE 106 HA PHE 106 -18.814 -1.588 0.231 829 1HB PHE 106 2HB PHE 106 -15.882 -1.295 -0.325 830 2HB PHE 106 1HB PHE 106 -17.024 -1.341 -1.664 831 HD1 PHE 106 1HD PHE 106 -17.586 0.189 1.663 832 HD2 PHE 106 2HD PHE 106 -16.841 0.844 -2.475 833 HE1 PHE 106 1HE PHE 106 -18.036 2.588 1.966 834 HE2 PHE 106 2HE PHE 106 -17.290 3.246 -2.180 835 HZ PHE 106 HZ PHE 106 -17.888 4.121 0.043 836 H LYS 107 H LYS 107 -16.358 -4.042 0.624 837 HA LYS 107 HA LYS 107 -16.995 -5.565 -1.681 838 1HB LYS 107 2HB LYS 107 -14.876 -5.710 -0.297 839 2HB LYS 107 1HB LYS 107 -15.806 -6.622 0.884 840 1HG LYS 107 2HG LYS 107 -16.049 -7.649 -1.838 841 2HG LYS 107 1HG LYS 107 -14.402 -7.683 -1.205 842 1HD LYS 107 2HD LYS 107 -15.006 -9.054 0.602 843 2HD LYS 107 1HD LYS 107 -16.725 -8.716 0.393 844 1HE LYS 107 2HE LYS 107 -16.947 -10.196 -1.334 845 2HE LYS 107 1HE LYS 107 -15.274 -10.005 -1.855 846 1HZ LYS 107 1HZ LYS 107 -15.884 -12.197 -0.798 847 2HZ LYS 107 2HZ LYS 107 -15.992 -11.367 0.672 848 3HZ LYS 107 3HZ LYS 107 -14.521 -11.420 -0.163 849 H SER 108 H SER 108 -18.064 -5.703 1.689 850 HA SER 108 HA SER 108 -19.697 -8.017 1.317 851 1HB SER 108 2HB SER 108 -19.089 -6.142 3.507 852 2HB SER 108 1HB SER 108 -20.712 -6.827 3.557 853 HG SER 108 HG SER 108 -19.782 -8.892 3.498 854 H MET 109 H MET 109 -20.629 -4.662 2.100 855 HA MET 109 HA MET 109 -23.288 -5.128 1.051 856 1HB MET 109 2HB MET 109 -21.960 -3.062 2.688 857 2HB MET 109 1HB MET 109 -23.230 -2.471 1.625 858 1HG MET 109 2HG MET 109 -24.769 -3.156 3.047 859 2HG MET 109 1HG MET 109 -24.180 -4.813 2.913 860 1HE MET 109 1HE MET 109 -22.580 -5.821 5.695 861 2HE MET 109 2HE MET 109 -21.240 -4.848 5.092 862 3HE MET 109 3HE MET 109 -22.302 -5.680 3.959 Start of MODEL 6 1 1H MET -8 1HT MET -8 11.014 -17.725 0.459 2 2H MET -8 2HT MET -8 11.879 -16.998 -0.833 3 3H MET -8 3HT MET -8 12.300 -16.642 0.792 4 HA MET -8 HA MET -8 13.896 -18.105 0.114 5 1HB MET -8 2HB MET -8 11.674 -19.195 1.757 6 2HB MET -8 1HB MET -8 12.903 -20.340 1.234 7 1HG MET -8 2HG MET -8 13.663 -19.635 3.301 8 2HG MET -8 1HG MET -8 14.589 -18.650 2.169 9 1HE MET -8 1HE MET -8 11.944 -18.760 4.976 10 2HE MET -8 2HE MET -8 12.296 -17.167 5.644 11 3HE MET -8 3HE MET -8 13.590 -18.351 5.458 12 H GLY -7 H GLY -7 14.317 -20.457 -0.617 13 1HA GLY -7 2HA GLY -7 14.083 -22.146 -2.177 14 2HA GLY -7 1HA GLY -7 12.439 -21.595 -2.468 15 H HIS -6 H HIS -6 15.721 -20.270 -2.921 16 HA HIS -6 HA HIS -6 16.712 -19.247 -4.694 17 1HB HIS -6 2HB HIS -6 14.733 -20.940 -6.229 18 2HB HIS -6 1HB HIS -6 16.060 -20.048 -6.967 19 HD1 HIS -6 1HD HIS -6 15.401 -23.322 -6.417 20 HD2 HIS -6 2HD HIS -6 18.525 -20.924 -5.088 21 HE1 HIS -6 1HE HIS -6 17.275 -24.904 -5.865 22 HE2 HIS -6 2HE HIS -6 19.182 -23.425 -5.138 23 H HIS -5 H HIS -5 14.356 -18.033 -3.398 24 HA HIS -5 HA HIS -5 13.012 -16.211 -3.613 25 1HB HIS -5 2HB HIS -5 15.358 -15.692 -5.103 26 2HB HIS -5 1HB HIS -5 14.011 -15.090 -6.065 27 HD1 HIS -5 1HD HIS -5 12.237 -13.613 -4.402 28 HD2 HIS -5 2HD HIS -5 16.273 -13.793 -3.430 29 HE1 HIS -5 1HE HIS -5 12.653 -11.644 -2.897 30 HE2 HIS -5 2HE HIS -5 15.119 -11.725 -2.388 31 H HIS -4 H HIS -4 11.037 -17.087 -4.056 32 HA HIS -4 HA HIS -4 10.064 -16.763 -6.759 33 1HB HIS -4 2HB HIS -4 9.185 -19.036 -6.964 34 2HB HIS -4 1HB HIS -4 10.938 -19.063 -6.801 35 HD1 HIS -4 1HD HIS -4 9.763 -21.644 -6.155 36 HD2 HIS -4 2HD HIS -4 9.921 -18.614 -3.314 37 HE1 HIS -4 1HE HIS -4 9.583 -22.799 -3.929 38 HE2 HIS -4 2HE HIS -4 9.779 -20.955 -2.224 39 H HIS -3 H HIS -3 7.653 -17.333 -6.840 40 HA HIS -3 HA HIS -3 5.544 -16.897 -6.113 41 1HB HIS -3 2HB HIS -3 6.831 -18.049 -3.665 42 2HB HIS -3 1HB HIS -3 5.202 -17.393 -3.561 43 HD1 HIS -3 1HD HIS -3 3.710 -18.424 -5.826 44 HD2 HIS -3 2HD HIS -3 6.684 -20.709 -4.038 45 HE1 HIS -3 1HE HIS -3 3.194 -20.805 -6.449 46 HE2 HIS -3 2HE HIS -3 4.967 -22.177 -5.299 47 H HIS -2 H HIS -2 7.525 -14.767 -6.135 48 HA HIS -2 HA HIS -2 6.217 -12.957 -4.222 49 1HB HIS -2 2HB HIS -2 9.164 -13.029 -4.907 50 2HB HIS -2 1HB HIS -2 8.386 -11.763 -3.962 51 HD1 HIS -2 1HD HIS -2 10.542 -14.288 -3.278 52 HD2 HIS -2 2HD HIS -2 6.736 -13.493 -1.811 53 HE1 HIS -2 1HE HIS -2 10.409 -15.485 -1.070 54 HE2 HIS -2 2HE HIS -2 8.125 -14.925 -0.164 55 H HIS -1 H HIS -1 5.421 -11.152 -5.098 56 HA HIS -1 HA HIS -1 6.569 -9.987 -7.478 57 1HB HIS -1 2HB HIS -1 4.451 -11.846 -7.748 58 2HB HIS -1 1HB HIS -1 3.759 -10.251 -8.032 59 HD1 HIS -1 1HD HIS -1 6.288 -12.656 -9.411 60 HD2 HIS -1 2HD HIS -1 4.543 -9.017 -10.398 61 HE1 HIS -1 1HE HIS -1 6.959 -12.213 -11.793 62 HE2 HIS -1 2HE HIS -1 5.962 -9.965 -12.340 63 H MET 0 H MET 0 6.874 -8.231 -6.044 64 HA MET 0 HA MET 0 6.358 -6.229 -5.094 65 1HB MET 0 2HB MET 0 3.708 -6.397 -6.523 66 2HB MET 0 1HB MET 0 4.594 -4.953 -6.052 67 1HG MET 0 2HG MET 0 5.609 -4.898 -8.011 68 2HG MET 0 1HG MET 0 6.252 -6.517 -7.753 69 1HE MET 0 1HE MET 0 3.810 -4.476 -10.155 70 2HE MET 0 2HE MET 0 3.119 -4.554 -8.533 71 3HE MET 0 3HE MET 0 2.342 -5.412 -9.864 72 H GLY 1 H GLY 1 6.116 -6.450 -2.951 73 1HA GLY 1 2HA GLY 1 3.596 -7.586 -1.936 74 2HA GLY 1 1HA GLY 1 5.103 -7.490 -1.035 75 H SER 2 H SER 2 5.889 -4.999 -1.048 76 HA SER 2 HA SER 2 3.851 -3.642 0.479 77 1HB SER 2 2HB SER 2 5.601 -2.032 1.014 78 2HB SER 2 1HB SER 2 6.222 -3.671 1.207 79 HG SER 2 HG SER 2 7.590 -3.332 -0.360 80 H ALA 3 H ALA 3 5.618 -3.089 -2.541 81 HA ALA 3 HA ALA 3 4.297 -0.603 -3.086 82 1HB ALA 3 1HB ALA 3 5.661 -2.184 -5.215 83 2HB ALA 3 2HB ALA 3 6.617 -1.488 -3.907 84 3HB ALA 3 3HB ALA 3 5.645 -0.442 -4.940 85 H GLY 4 H GLY 4 3.705 -3.959 -3.802 86 1HA GLY 4 2HA GLY 4 1.862 -3.485 -5.948 87 2HA GLY 4 1HA GLY 4 2.104 -5.004 -5.096 88 H THR 5 H THR 5 1.603 -3.636 -2.480 89 HA THR 5 HA THR 5 -1.180 -4.157 -2.336 90 HB THR 5 HB THR 5 0.607 -2.747 -0.344 91 HG1 THR 5 1HG THR 5 0.763 -4.815 0.585 92 1HG2 THR 5 1HG2 THR 5 -2.081 -4.045 0.001 93 2HG2 THR 5 2HG2 THR 5 -1.659 -2.355 0.280 94 3HG2 THR 5 3HG2 THR 5 -1.005 -3.612 1.329 95 H GLN 6 H GLN 6 0.678 -1.129 -2.060 96 HA GLN 6 HA GLN 6 -1.555 0.567 -1.828 97 1HB GLN 6 2HB GLN 6 1.328 0.932 -2.486 98 2HB GLN 6 1HB GLN 6 0.229 2.258 -2.840 99 1HG GLN 6 2HG GLN 6 -0.432 2.408 -0.546 100 2HG GLN 6 1HG GLN 6 0.476 0.951 -0.143 101 1HE2 GLN 6 1HE2 GLN 6 1.465 2.341 1.470 102 2HE2 GLN 6 2HE2 GLN 6 2.801 3.338 1.017 103 H GLU 7 H GLU 7 0.117 -0.758 -4.603 104 HA GLU 7 HA GLU 7 -0.928 0.944 -6.579 105 1HB GLU 7 2HB GLU 7 0.844 -1.145 -6.543 106 2HB GLU 7 1HB GLU 7 -0.522 -1.850 -7.396 107 1HG GLU 7 2HG GLU 7 0.620 -0.977 -9.151 108 2HG GLU 7 1HG GLU 7 -0.406 0.401 -8.753 109 H GLU 8 H GLU 8 -2.100 -2.182 -5.353 110 HA GLU 8 HA GLU 8 -4.332 -2.343 -7.073 111 1HB GLU 8 2HB GLU 8 -5.131 -4.102 -5.604 112 2HB GLU 8 1HB GLU 8 -3.404 -4.284 -5.874 113 1HG GLU 8 2HG GLU 8 -2.868 -3.762 -3.719 114 2HG GLU 8 1HG GLU 8 -4.309 -2.777 -3.480 115 H LEU 9 H LEU 9 -3.819 -0.767 -3.996 116 HA LEU 9 HA LEU 9 -6.542 -0.341 -3.344 117 1HB LEU 9 2HB LEU 9 -3.928 0.717 -2.431 118 2HB LEU 9 1HB LEU 9 -5.336 1.703 -2.087 119 HG LEU 9 HG LEU 9 -4.920 -1.159 -1.216 120 1HD1 LEU 9 1HD1 LEU 9 -5.313 1.028 0.722 121 2HD1 LEU 9 2HD1 LEU 9 -3.769 1.008 -0.129 122 3HD1 LEU 9 3HD1 LEU 9 -4.277 -0.396 0.808 123 1HD2 LEU 9 1HD2 LEU 9 -6.999 -0.474 0.207 124 2HD2 LEU 9 2HD2 LEU 9 -7.206 -1.052 -1.446 125 3HD2 LEU 9 3HD2 LEU 9 -7.270 0.677 -1.102 126 H LEU 10 H LEU 10 -4.122 1.736 -4.918 127 HA LEU 10 HA LEU 10 -5.791 3.958 -5.303 128 1HB LEU 10 2HB LEU 10 -3.147 3.325 -5.820 129 2HB LEU 10 1HB LEU 10 -3.822 3.568 -7.419 130 HG LEU 10 HG LEU 10 -4.256 5.611 -5.267 131 1HD1 LEU 10 1HD1 LEU 10 -1.755 5.010 -6.735 132 2HD1 LEU 10 2HD1 LEU 10 -1.994 5.718 -5.138 133 3HD1 LEU 10 3HD1 LEU 10 -2.222 6.704 -6.582 134 1HD2 LEU 10 1HD2 LEU 10 -4.173 7.066 -7.378 135 2HD2 LEU 10 2HD2 LEU 10 -5.588 6.042 -7.133 136 3HD2 LEU 10 3HD2 LEU 10 -4.328 5.549 -8.263 137 H ARG 11 H ARG 11 -5.305 1.045 -7.198 138 HA ARG 11 HA ARG 11 -6.631 1.906 -9.541 139 1HB ARG 11 2HB ARG 11 -6.072 -0.827 -8.400 140 2HB ARG 11 1HB ARG 11 -6.904 -0.601 -9.933 141 1HG ARG 11 2HG ARG 11 -4.708 0.966 -10.277 142 2HG ARG 11 1HG ARG 11 -4.067 -0.332 -9.268 143 1HD ARG 11 2HD ARG 11 -5.532 -1.739 -11.069 144 2HD ARG 11 1HD ARG 11 -4.998 -0.381 -12.056 145 HE ARG 11 HE ARG 11 -3.390 -2.532 -11.066 146 1HH1 ARG 11 1HH1 ARG 11 -3.340 0.816 -12.050 147 2HH1 ARG 11 2HH1 ARG 11 -1.659 0.800 -12.467 148 1HH2 ARG 11 1HH2 ARG 11 -1.178 -2.556 -11.613 149 2HH2 ARG 11 2HH2 ARG 11 -0.431 -1.115 -12.219 150 H TRP 12 H TRP 12 -7.757 0.267 -6.620 151 HA TRP 12 HA TRP 12 -10.396 -0.207 -7.527 152 1HB TRP 12 2HB TRP 12 -9.314 -1.381 -5.608 153 2HB TRP 12 1HB TRP 12 -9.454 0.104 -4.671 154 HD1 TRP 12 HD TRP 12 -11.765 -2.446 -6.456 155 HE1 TRP 12 1HE TRP 12 -13.990 -2.537 -5.164 156 HE3 TRP 12 3HE TRP 12 -10.852 1.215 -3.003 157 HZ2 TRP 12 2HZ TRP 12 -15.197 -1.231 -2.972 158 HZ3 TRP 12 3HZ TRP 12 -12.595 1.734 -1.346 159 HH2 TRP 12 HH TRP 12 -14.721 0.535 -1.332 160 H CYS 13 H CYS 13 -8.952 2.402 -5.608 161 HA CYS 13 HA CYS 13 -11.314 3.792 -5.035 162 1HB CYS 13 2HB CYS 13 -8.418 4.468 -5.089 163 2HB CYS 13 1HB CYS 13 -9.558 5.809 -5.073 164 HG CYS 13 HG CYS 13 -10.377 4.083 -2.854 165 H GLN 14 H GLN 14 -9.045 4.133 -7.745 166 HA GLN 14 HA GLN 14 -10.387 6.295 -8.973 167 1HB GLN 14 2HB GLN 14 -8.057 5.734 -9.478 168 2HB GLN 14 1HB GLN 14 -8.568 4.213 -10.198 169 1HG GLN 14 2HG GLN 14 -10.045 5.929 -11.645 170 2HG GLN 14 1HG GLN 14 -8.657 6.950 -11.278 171 1HE2 GLN 14 1HE2 GLN 14 -9.774 4.103 -12.916 172 2HE2 GLN 14 2HE2 GLN 14 -8.355 3.844 -13.868 173 H GLU 15 H GLU 15 -10.662 2.796 -9.333 174 HA GLU 15 HA GLU 15 -12.393 2.834 -11.570 175 1HB GLU 15 2HB GLU 15 -11.040 0.871 -10.513 176 2HB GLU 15 1HB GLU 15 -12.465 0.659 -9.503 177 1HG GLU 15 2HG GLU 15 -12.608 -0.823 -11.373 178 2HG GLU 15 1HG GLU 15 -13.830 0.435 -11.550 179 H GLN 16 H GLN 16 -12.998 2.642 -8.082 180 HA GLN 16 HA GLN 16 -15.820 2.486 -8.306 181 1HB GLN 16 2HB GLN 16 -13.855 2.855 -6.131 182 2HB GLN 16 1HB GLN 16 -15.458 3.506 -5.820 183 1HG GLN 16 2HG GLN 16 -15.407 0.785 -6.923 184 2HG GLN 16 1HG GLN 16 -14.710 0.962 -5.313 185 1HE2 GLN 16 1HE2 GLN 16 -16.323 -0.134 -4.264 186 2HE2 GLN 16 2HE2 GLN 16 -17.931 0.479 -4.100 187 H THR 17 H THR 17 -13.553 5.154 -8.090 188 HA THR 17 HA THR 17 -15.703 7.096 -7.837 189 HB THR 17 HB THR 17 -12.719 7.522 -8.067 190 HG1 THR 17 1HG THR 17 -12.780 7.733 -5.847 191 1HG2 THR 17 1HG2 THR 17 -14.986 9.389 -7.549 192 2HG2 THR 17 2HG2 THR 17 -13.573 9.595 -8.584 193 3HG2 THR 17 3HG2 THR 17 -13.402 9.687 -6.831 194 H ALA 18 H ALA 18 -14.718 5.369 -10.347 195 HA ALA 18 HA ALA 18 -14.271 7.448 -12.292 196 1HB ALA 18 1HB ALA 18 -14.625 5.385 -13.868 197 2HB ALA 18 2HB ALA 18 -14.444 4.473 -12.369 198 3HB ALA 18 3HB ALA 18 -13.151 5.542 -12.913 199 H GLY 19 H GLY 19 -15.786 8.544 -13.359 200 1HA GLY 19 2HA GLY 19 -17.913 7.994 -14.729 201 2HA GLY 19 1HA GLY 19 -18.569 7.622 -13.142 202 H TYR 20 H TYR 20 -17.109 9.786 -11.819 203 HA TYR 20 HA TYR 20 -19.016 11.870 -12.299 204 1HB TYR 20 2HB TYR 20 -16.580 11.912 -10.509 205 2HB TYR 20 1HB TYR 20 -17.951 13.015 -10.440 206 HD1 TYR 20 1HD TYR 20 -19.948 12.421 -9.290 207 HD2 TYR 20 2HD TYR 20 -16.881 9.528 -9.855 208 HE1 TYR 20 1HE TYR 20 -21.075 10.924 -7.698 209 HE2 TYR 20 2HE TYR 20 -18.000 8.023 -8.266 210 HH TYR 20 HH TYR 20 -20.915 8.042 -7.452 211 HA PRO 21 HA PRO 21 -16.509 13.880 -15.436 212 1HB PRO 21 2HB PRO 21 -18.417 16.100 -15.115 213 2HB PRO 21 1HB PRO 21 -18.051 15.133 -16.547 214 1HG PRO 21 2HG PRO 21 -20.376 14.877 -15.226 215 2HG PRO 21 1HG PRO 21 -19.577 13.494 -15.994 216 1HD PRO 21 2HD PRO 21 -19.641 14.285 -13.106 217 2HD PRO 21 1HD PRO 21 -19.771 12.671 -13.838 218 H GLY 22 H GLY 22 -14.626 14.751 -14.828 219 1HA GLY 22 2HA GLY 22 -13.463 16.806 -14.297 220 2HA GLY 22 1HA GLY 22 -14.710 17.142 -13.104 221 H VAL 23 H VAL 23 -14.649 14.298 -12.197 222 HA VAL 23 HA VAL 23 -12.598 14.647 -10.215 223 HB VAL 23 HB VAL 23 -14.330 12.212 -10.646 224 1HG1 VAL 23 1HG1 VAL 23 -12.388 11.921 -9.160 225 2HG1 VAL 23 2HG1 VAL 23 -13.920 11.783 -8.296 226 3HG1 VAL 23 3HG1 VAL 23 -12.965 13.260 -8.169 227 1HG2 VAL 23 1HG2 VAL 23 -15.859 13.997 -10.442 228 2HG2 VAL 23 2HG2 VAL 23 -14.899 14.779 -9.186 229 3HG2 VAL 23 3HG2 VAL 23 -15.753 13.277 -8.836 230 H HIS 24 H HIS 24 -10.572 14.030 -10.415 231 HA HIS 24 HA HIS 24 -9.932 11.770 -12.195 232 1HB HIS 24 2HB HIS 24 -9.190 14.251 -12.779 233 2HB HIS 24 1HB HIS 24 -7.899 13.885 -11.639 234 HD1 HIS 24 1HD HIS 24 -8.258 10.738 -12.916 235 HD2 HIS 24 2HD HIS 24 -6.945 14.276 -14.655 236 HE1 HIS 24 1HE HIS 24 -6.870 10.040 -14.894 237 HE2 HIS 24 2HE HIS 24 -6.013 12.196 -15.876 238 H VAL 25 H VAL 25 -10.036 10.309 -10.451 239 HA VAL 25 HA VAL 25 -8.503 10.672 -8.071 240 HB VAL 25 HB VAL 25 -9.586 8.074 -9.150 241 1HG1 VAL 25 1HG1 VAL 25 -8.246 7.481 -7.378 242 2HG1 VAL 25 2HG1 VAL 25 -9.787 7.749 -6.561 243 3HG1 VAL 25 3HG1 VAL 25 -8.534 8.991 -6.515 244 1HG2 VAL 25 1HG2 VAL 25 -10.948 10.403 -7.962 245 2HG2 VAL 25 2HG2 VAL 25 -11.405 8.827 -7.314 246 3HG2 VAL 25 3HG2 VAL 25 -11.568 9.152 -9.040 247 H SER 26 H SER 26 -6.354 11.006 -8.568 248 HA SER 26 HA SER 26 -4.860 8.618 -9.222 249 1HB SER 26 2HB SER 26 -5.449 10.195 -11.341 250 2HB SER 26 1HB SER 26 -3.956 10.958 -10.795 251 HG SER 26 HG SER 26 -2.945 8.921 -10.946 252 H ASP 27 H ASP 27 -5.283 10.694 -7.043 253 HA ASP 27 HA ASP 27 -2.440 11.050 -6.443 254 1HB ASP 27 2HB ASP 27 -4.493 13.225 -5.998 255 2HB ASP 27 1HB ASP 27 -2.768 13.317 -5.661 256 H LEU 28 H LEU 28 -1.906 10.661 -4.346 257 HA LEU 28 HA LEU 28 -4.052 9.700 -2.618 258 1HB LEU 28 2HB LEU 28 -1.050 9.452 -2.463 259 2HB LEU 28 1HB LEU 28 -2.132 8.865 -1.214 260 HG LEU 28 HG LEU 28 -2.656 7.910 -3.971 261 1HD1 LEU 28 1HD1 LEU 28 -0.470 7.411 -4.256 262 2HD1 LEU 28 2HD1 LEU 28 -0.895 6.038 -3.234 263 3HD1 LEU 28 3HD1 LEU 28 -0.118 7.457 -2.529 264 1HD2 LEU 28 1HD2 LEU 28 -2.849 6.875 -1.173 265 2HD2 LEU 28 2HD2 LEU 28 -2.856 5.758 -2.538 266 3HD2 LEU 28 3HD2 LEU 28 -4.100 7.001 -2.409 267 H SER 29 H SER 29 -3.861 12.517 -2.993 268 HA SER 29 HA SER 29 -3.811 13.340 -0.255 269 1HB SER 29 2HB SER 29 -1.475 13.589 -0.484 270 2HB SER 29 1HB SER 29 -1.619 14.235 -2.119 271 HG SER 29 HG SER 29 -1.193 15.881 -0.597 272 H SER 30 H SER 30 -3.236 15.048 -3.333 273 HA SER 30 HA SER 30 -5.077 17.106 -2.772 274 1HB SER 30 2HB SER 30 -4.537 16.508 -5.620 275 2HB SER 30 1HB SER 30 -4.375 18.023 -4.732 276 HG SER 30 HG SER 30 -2.479 16.247 -5.372 277 H SER 31 H SER 31 -5.404 14.019 -4.393 278 HA SER 31 HA SER 31 -7.816 14.383 -5.717 279 1HB SER 31 2HB SER 31 -6.241 12.349 -5.743 280 2HB SER 31 1HB SER 31 -7.122 11.808 -4.315 281 HG SER 31 HG SER 31 -8.405 12.509 -6.739 282 H TRP 32 H TRP 32 -7.188 14.110 -2.327 283 HA TRP 32 HA TRP 32 -10.065 13.824 -1.783 284 1HB TRP 32 2HB TRP 32 -7.862 13.558 0.257 285 2HB TRP 32 1HB TRP 32 -9.521 12.975 0.360 286 HD1 TRP 32 HD TRP 32 -6.452 12.295 -1.937 287 HE1 TRP 32 1HE TRP 32 -6.379 9.768 -2.417 288 HE3 TRP 32 3HE TRP 32 -10.643 10.858 0.617 289 HZ2 TRP 32 2HZ TRP 32 -7.895 7.469 -1.796 290 HZ3 TRP 32 3HZ TRP 32 -11.263 8.478 0.623 291 HH2 TRP 32 HH TRP 32 -9.916 6.819 -0.559 292 H ALA 33 H ALA 33 -8.113 16.268 -2.348 293 HA ALA 33 HA ALA 33 -8.075 17.937 -0.137 294 1HB ALA 33 1HB ALA 33 -6.894 18.395 -2.243 295 2HB ALA 33 2HB ALA 33 -7.841 19.778 -1.694 296 3HB ALA 33 3HB ALA 33 -8.436 18.770 -3.011 297 H ASP 34 H ASP 34 -10.484 18.041 -2.779 298 HA ASP 34 HA ASP 34 -12.267 19.616 -1.134 299 1HB ASP 34 2HB ASP 34 -13.768 19.496 -3.152 300 2HB ASP 34 1HB ASP 34 -12.186 20.210 -3.449 301 H GLY 35 H GLY 35 -11.575 16.440 -1.088 302 1HA GLY 35 2HA GLY 35 -12.660 14.668 -0.107 303 2HA GLY 35 1HA GLY 35 -13.988 15.756 0.264 304 H LEU 36 H LEU 36 -12.810 15.252 -2.992 305 HA LEU 36 HA LEU 36 -15.420 14.496 -3.885 306 1HB LEU 36 2HB LEU 36 -12.885 15.264 -5.080 307 2HB LEU 36 1HB LEU 36 -13.647 13.951 -5.958 308 HG LEU 36 HG LEU 36 -14.229 16.161 -6.872 309 1HD1 LEU 36 1HD1 LEU 36 -15.769 14.182 -6.980 310 2HD1 LEU 36 2HD1 LEU 36 -16.551 15.756 -7.136 311 3HD1 LEU 36 3HD1 LEU 36 -16.638 14.875 -5.611 312 1HD2 LEU 36 1HD2 LEU 36 -16.128 17.082 -5.018 313 2HD2 LEU 36 2HD2 LEU 36 -14.615 17.855 -5.490 314 3HD2 LEU 36 3HD2 LEU 36 -14.654 16.768 -4.101 315 H ALA 37 H ALA 37 -12.411 12.811 -3.224 316 HA ALA 37 HA ALA 37 -13.139 10.343 -4.418 317 1HB ALA 37 1HB ALA 37 -10.894 10.362 -4.125 318 2HB ALA 37 2HB ALA 37 -11.323 9.570 -2.609 319 3HB ALA 37 3HB ALA 37 -10.985 11.300 -2.635 320 H LEU 38 H LEU 38 -13.255 11.512 -1.061 321 HA LEU 38 HA LEU 38 -14.283 9.134 0.049 322 1HB LEU 38 2HB LEU 38 -13.335 11.451 1.071 323 2HB LEU 38 1HB LEU 38 -15.055 11.686 1.318 324 HG LEU 38 HG LEU 38 -13.417 9.376 2.366 325 1HD1 LEU 38 1HD1 LEU 38 -12.856 10.990 3.847 326 2HD1 LEU 38 2HD1 LEU 38 -14.422 10.564 4.538 327 3HD1 LEU 38 3HD1 LEU 38 -14.277 11.972 3.486 328 1HD2 LEU 38 1HD2 LEU 38 -15.616 9.049 3.696 329 2HD2 LEU 38 2HD2 LEU 38 -15.511 8.445 2.042 330 3HD2 LEU 38 3HD2 LEU 38 -16.351 9.960 2.376 331 H CYS 39 H CYS 39 -15.892 12.096 -1.077 332 HA CYS 39 HA CYS 39 -18.512 11.214 -0.424 333 1HB CYS 39 2HB CYS 39 -17.609 13.322 -2.398 334 2HB CYS 39 1HB CYS 39 -19.264 13.094 -1.842 335 HG CYS 39 HG CYS 39 -18.740 14.255 0.276 336 H ALA 40 H ALA 40 -16.474 10.925 -3.260 337 HA ALA 40 HA ALA 40 -18.399 10.126 -5.127 338 1HB ALA 40 1HB ALA 40 -16.288 8.805 -6.046 339 2HB ALA 40 2HB ALA 40 -15.458 9.831 -4.876 340 3HB ALA 40 3HB ALA 40 -16.420 10.560 -6.163 341 H LEU 41 H LEU 41 -16.538 8.261 -2.769 342 HA LEU 41 HA LEU 41 -17.476 5.717 -3.629 343 1HB LEU 41 2HB LEU 41 -16.278 6.611 -1.006 344 2HB LEU 41 1HB LEU 41 -16.603 4.939 -1.421 345 HG LEU 41 HG LEU 41 -14.839 6.601 -3.181 346 1HD1 LEU 41 1HD1 LEU 41 -13.586 4.938 -1.075 347 2HD1 LEU 41 2HD1 LEU 41 -14.231 6.506 -0.591 348 3HD1 LEU 41 3HD1 LEU 41 -13.007 6.410 -1.858 349 1HD2 LEU 41 1HD2 LEU 41 -15.814 4.116 -3.487 350 2HD2 LEU 41 2HD2 LEU 41 -14.335 3.754 -2.598 351 3HD2 LEU 41 3HD2 LEU 41 -14.254 4.635 -4.123 352 H VAL 42 H VAL 42 -18.344 7.791 -0.864 353 HA VAL 42 HA VAL 42 -20.378 6.175 0.167 354 HB VAL 42 HB VAL 42 -20.298 9.194 0.258 355 1HG1 VAL 42 1HG1 VAL 42 -21.734 7.094 1.841 356 2HG1 VAL 42 2HG1 VAL 42 -22.374 8.556 1.090 357 3HG1 VAL 42 3HG1 VAL 42 -21.377 8.673 2.541 358 1HG2 VAL 42 1HG2 VAL 42 -18.615 9.142 1.732 359 2HG2 VAL 42 2HG2 VAL 42 -18.302 7.518 1.118 360 3HG2 VAL 42 3HG2 VAL 42 -19.274 7.739 2.574 361 H TYR 43 H TYR 43 -20.500 8.767 -2.244 362 HA TYR 43 HA TYR 43 -23.279 8.855 -2.576 363 1HB TYR 43 2HB TYR 43 -21.670 10.541 -3.461 364 2HB TYR 43 1HB TYR 43 -21.178 9.379 -4.688 365 HD1 TYR 43 1HD TYR 43 -24.119 11.272 -3.426 366 HD2 TYR 43 2HD TYR 43 -22.356 9.214 -6.707 367 HE1 TYR 43 1HE TYR 43 -25.935 12.057 -4.885 368 HE2 TYR 43 2HE TYR 43 -24.169 9.996 -8.176 369 HH TYR 43 HH TYR 43 -27.024 11.267 -7.057 370 H ARG 44 H ARG 44 -20.824 6.801 -4.044 371 HA ARG 44 HA ARG 44 -22.443 5.620 -6.019 372 1HB ARG 44 2HB ARG 44 -19.795 5.256 -4.951 373 2HB ARG 44 1HB ARG 44 -20.565 3.690 -5.167 374 1HG ARG 44 2HG ARG 44 -20.481 5.771 -7.332 375 2HG ARG 44 1HG ARG 44 -19.218 4.559 -7.114 376 1HD ARG 44 2HD ARG 44 -20.432 3.139 -8.314 377 2HD ARG 44 1HD ARG 44 -21.663 3.173 -7.052 378 HE ARG 44 HE ARG 44 -21.849 5.369 -8.895 379 1HH1 ARG 44 1HH1 ARG 44 -22.755 2.050 -8.309 380 2HH1 ARG 44 2HH1 ARG 44 -24.140 2.113 -9.345 381 1HH2 ARG 44 1HH2 ARG 44 -23.670 5.455 -10.259 382 2HH2 ARG 44 2HH2 ARG 44 -24.660 4.047 -10.453 383 H LEU 45 H LEU 45 -21.821 4.751 -2.648 384 HA LEU 45 HA LEU 45 -23.428 2.366 -2.784 385 1HB LEU 45 2HB LEU 45 -21.981 3.833 -0.616 386 2HB LEU 45 1HB LEU 45 -23.168 2.616 -0.189 387 HG LEU 45 HG LEU 45 -20.850 1.750 -0.212 388 1HD1 LEU 45 1HD1 LEU 45 -22.436 0.473 -2.422 389 2HD1 LEU 45 2HD1 LEU 45 -22.914 0.363 -0.727 390 3HD1 LEU 45 3HD1 LEU 45 -21.363 -0.294 -1.250 391 1HD2 LEU 45 1HD2 LEU 45 -19.661 1.473 -2.289 392 2HD2 LEU 45 2HD2 LEU 45 -20.041 3.180 -2.063 393 3HD2 LEU 45 3HD2 LEU 45 -20.988 2.208 -3.189 394 H GLN 46 H GLN 46 -23.779 5.599 -1.364 395 HA GLN 46 HA GLN 46 -26.690 5.216 -1.402 396 1HB GLN 46 2HB GLN 46 -25.038 5.513 0.937 397 2HB GLN 46 1HB GLN 46 -26.120 6.892 0.798 398 1HG GLN 46 2HG GLN 46 -27.576 5.588 1.869 399 2HG GLN 46 1HG GLN 46 -27.820 4.840 0.292 400 1HE2 GLN 46 1HE2 GLN 46 -26.429 4.506 3.444 401 2HE2 GLN 46 2HE2 GLN 46 -26.020 2.831 3.316 402 HA PRO 47 HA PRO 47 -25.455 9.135 -3.535 403 1HB PRO 47 2HB PRO 47 -27.303 8.914 -5.517 404 2HB PRO 47 1HB PRO 47 -25.707 8.157 -5.596 405 1HG PRO 47 2HG PRO 47 -28.341 6.948 -4.844 406 2HG PRO 47 1HG PRO 47 -27.060 6.286 -5.877 407 1HD PRO 47 2HD PRO 47 -27.379 5.526 -3.304 408 2HD PRO 47 1HD PRO 47 -25.784 5.611 -4.077 409 H GLY 48 H GLY 48 -28.575 7.832 -2.584 410 1HA GLY 48 2HA GLY 48 -30.009 10.287 -2.785 411 2HA GLY 48 1HA GLY 48 -30.527 8.852 -1.911 412 H LEU 49 H LEU 49 -28.136 8.767 -0.241 413 HA LEU 49 HA LEU 49 -28.935 10.850 1.652 414 1HB LEU 49 2HB LEU 49 -27.418 8.268 1.950 415 2HB LEU 49 1HB LEU 49 -27.500 9.455 3.238 416 HG LEU 49 HG LEU 49 -29.130 7.583 3.461 417 1HD1 LEU 49 1HD1 LEU 49 -29.834 10.453 3.427 418 2HD1 LEU 49 2HD1 LEU 49 -29.859 9.291 4.753 419 3HD1 LEU 49 3HD1 LEU 49 -31.167 9.307 3.569 420 1HD2 LEU 49 1HD2 LEU 49 -29.553 7.532 0.936 421 2HD2 LEU 49 2HD2 LEU 49 -30.666 8.868 1.228 422 3HD2 LEU 49 3HD2 LEU 49 -30.936 7.308 2.005 423 H LEU 50 H LEU 50 -27.139 11.300 -0.703 424 HA LEU 50 HA LEU 50 -25.051 12.696 0.764 425 1HB LEU 50 2HB LEU 50 -24.567 10.271 -0.666 426 2HB LEU 50 1HB LEU 50 -23.777 11.583 -1.519 427 HG LEU 50 HG LEU 50 -22.252 10.523 0.054 428 1HD1 LEU 50 1HD1 LEU 50 -22.989 13.232 1.131 429 2HD1 LEU 50 2HD1 LEU 50 -22.181 12.999 -0.420 430 3HD1 LEU 50 3HD1 LEU 50 -21.396 12.477 1.071 431 1HD2 LEU 50 1HD2 LEU 50 -24.208 9.934 1.640 432 2HD2 LEU 50 2HD2 LEU 50 -23.904 11.524 2.339 433 3HD2 LEU 50 3HD2 LEU 50 -22.628 10.306 2.330 434 H GLU 51 H GLU 51 -23.782 14.151 -0.722 435 HA GLU 51 HA GLU 51 -25.059 14.873 -3.214 436 1HB GLU 51 2HB GLU 51 -25.421 16.431 -0.716 437 2HB GLU 51 1HB GLU 51 -25.058 17.356 -2.166 438 1HG GLU 51 2HG GLU 51 -27.284 15.344 -2.013 439 2HG GLU 51 1HG GLU 51 -27.490 17.053 -1.634 440 HA PRO 52 HA PRO 52 -20.356 15.377 -2.684 441 1HB PRO 52 2HB PRO 52 -19.991 14.300 -5.244 442 2HB PRO 52 1HB PRO 52 -19.762 13.447 -3.717 443 1HG PRO 52 2HG PRO 52 -22.112 13.451 -5.555 444 2HG PRO 52 1HG PRO 52 -21.433 12.120 -4.599 445 1HD PRO 52 2HD PRO 52 -23.668 13.362 -3.829 446 2HD PRO 52 1HD PRO 52 -22.455 12.848 -2.635 447 H SER 53 H SER 53 -22.617 15.975 -5.334 448 HA SER 53 HA SER 53 -21.100 17.701 -6.880 449 1HB SER 53 2HB SER 53 -23.578 16.758 -7.128 450 2HB SER 53 1HB SER 53 -23.982 18.351 -6.492 451 HG SER 53 HG SER 53 -23.834 18.228 -8.822 452 H GLU 54 H GLU 54 -23.208 18.476 -4.141 453 HA GLU 54 HA GLU 54 -22.625 21.265 -4.194 454 1HB GLU 54 2HB GLU 54 -23.767 19.562 -1.972 455 2HB GLU 54 1HB GLU 54 -23.765 21.320 -2.009 456 1HG GLU 54 2HG GLU 54 -25.009 20.938 -4.295 457 2HG GLU 54 1HG GLU 54 -25.407 19.389 -3.553 458 H LEU 55 H LEU 55 -21.576 18.606 -2.076 459 HA LEU 55 HA LEU 55 -19.838 20.150 -0.488 460 1HB LEU 55 2HB LEU 55 -19.632 17.203 -1.076 461 2HB LEU 55 1HB LEU 55 -18.955 18.047 0.303 462 HG LEU 55 HG LEU 55 -21.881 17.584 -0.270 463 1HD1 LEU 55 1HD1 LEU 55 -21.271 15.627 0.690 464 2HD1 LEU 55 2HD1 LEU 55 -21.458 16.574 2.165 465 3HD1 LEU 55 3HD1 LEU 55 -19.855 16.325 1.476 466 1HD2 LEU 55 1HD2 LEU 55 -20.491 19.362 1.687 467 2HD2 LEU 55 2HD2 LEU 55 -22.013 18.590 2.130 468 3HD2 LEU 55 3HD2 LEU 55 -21.943 19.660 0.730 469 H GLN 56 H GLN 56 -19.519 19.106 -3.699 470 HA GLN 56 HA GLN 56 -16.758 18.642 -3.859 471 1HB GLN 56 2HB GLN 56 -18.301 18.003 -5.635 472 2HB GLN 56 1HB GLN 56 -18.664 19.694 -5.950 473 1HG GLN 56 2HG GLN 56 -15.903 19.531 -6.159 474 2HG GLN 56 1HG GLN 56 -16.492 18.051 -6.916 475 1HE2 GLN 56 1HE2 GLN 56 -17.358 18.153 -8.897 476 2HE2 GLN 56 2HE2 GLN 56 -17.628 19.610 -9.784 477 H GLY 57 H GLY 57 -18.635 21.621 -4.128 478 1HA GLY 57 2HA GLY 57 -16.087 23.100 -4.307 479 2HA GLY 57 1HA GLY 57 -17.620 23.691 -4.932 480 H LEU 58 H LEU 58 -18.572 22.378 -2.155 481 HA LEU 58 HA LEU 58 -18.986 24.807 -0.838 482 1HB LEU 58 2HB LEU 58 -19.410 21.976 -0.276 483 2HB LEU 58 1HB LEU 58 -19.068 22.907 1.169 484 HG LEU 58 HG LEU 58 -20.986 24.355 -0.354 485 1HD1 LEU 58 1HD1 LEU 58 -22.735 22.346 0.115 486 2HD1 LEU 58 2HD1 LEU 58 -21.326 21.439 -0.435 487 3HD1 LEU 58 3HD1 LEU 58 -22.020 22.697 -1.460 488 1HD2 LEU 58 1HD2 LEU 58 -21.150 24.746 1.874 489 2HD2 LEU 58 2HD2 LEU 58 -20.746 23.087 2.310 490 3HD2 LEU 58 3HD2 LEU 58 -22.371 23.481 1.750 491 H GLY 59 H GLY 59 -16.339 22.523 -0.686 492 1HA GLY 59 2HA GLY 59 -14.272 23.962 0.011 493 2HA GLY 59 1HA GLY 59 -15.133 24.006 1.542 494 H ALA 60 H ALA 60 -12.523 22.925 1.091 495 HA ALA 60 HA ALA 60 -12.541 20.120 0.853 496 1HB ALA 60 1HB ALA 60 -10.440 20.984 0.556 497 2HB ALA 60 2HB ALA 60 -10.321 20.426 2.225 498 3HB ALA 60 3HB ALA 60 -10.604 22.133 1.885 499 H LEU 61 H LEU 61 -12.150 22.098 3.799 500 HA LEU 61 HA LEU 61 -12.391 19.973 5.607 501 1HB LEU 61 2HB LEU 61 -12.562 22.930 5.764 502 2HB LEU 61 1HB LEU 61 -13.248 22.028 7.102 503 HG LEU 61 HG LEU 61 -10.899 22.742 7.478 504 1HD1 LEU 61 1HD1 LEU 61 -11.741 19.886 7.515 505 2HD1 LEU 61 2HD1 LEU 61 -11.444 20.992 8.855 506 3HD1 LEU 61 3HD1 LEU 61 -10.088 20.302 7.964 507 1HD2 LEU 61 1HD2 LEU 61 -10.315 22.331 5.003 508 2HD2 LEU 61 2HD2 LEU 61 -10.079 20.654 5.492 509 3HD2 LEU 61 3HD2 LEU 61 -9.110 21.932 6.227 510 H GLU 62 H GLU 62 -14.815 22.076 4.153 511 HA GLU 62 HA GLU 62 -16.982 21.217 5.769 512 1HB GLU 62 2HB GLU 62 -16.599 22.901 3.403 513 2HB GLU 62 1HB GLU 62 -18.132 22.041 3.406 514 1HG GLU 62 2HG GLU 62 -18.777 23.894 4.523 515 2HG GLU 62 1HG GLU 62 -18.204 22.947 5.894 516 H ALA 63 H ALA 63 -15.874 20.266 2.528 517 HA ALA 63 HA ALA 63 -17.917 18.387 2.038 518 1HB ALA 63 1HB ALA 63 -16.262 19.428 0.388 519 2HB ALA 63 2HB ALA 63 -16.690 17.732 0.158 520 3HB ALA 63 3HB ALA 63 -15.149 18.161 0.903 521 H THR 64 H THR 64 -14.667 18.036 3.412 522 HA THR 64 HA THR 64 -14.763 15.219 3.670 523 HB THR 64 HB THR 64 -13.133 17.113 5.364 524 HG1 THR 64 1HG THR 64 -12.512 17.732 3.416 525 1HG2 THR 64 1HG2 THR 64 -13.020 14.225 4.799 526 2HG2 THR 64 2HG2 THR 64 -12.513 15.131 6.225 527 3HG2 THR 64 3HG2 THR 64 -11.485 15.093 4.792 528 H ALA 65 H ALA 65 -15.320 17.834 6.019 529 HA ALA 65 HA ALA 65 -15.897 16.213 8.223 530 1HB ALA 65 1HB ALA 65 -15.465 18.478 8.658 531 2HB ALA 65 2HB ALA 65 -17.174 18.263 9.035 532 3HB ALA 65 3HB ALA 65 -16.696 19.020 7.516 533 H TRP 66 H TRP 66 -18.047 17.561 5.742 534 HA TRP 66 HA TRP 66 -20.451 16.616 6.897 535 1HB TRP 66 2HB TRP 66 -19.943 18.349 4.927 536 2HB TRP 66 1HB TRP 66 -20.271 16.926 3.943 537 HD1 TRP 66 HD TRP 66 -21.977 19.578 6.000 538 HE1 TRP 66 1HE TRP 66 -24.527 19.244 5.891 539 HE3 TRP 66 3HE TRP 66 -22.101 14.981 3.765 540 HZ2 TRP 66 2HZ TRP 66 -26.350 17.291 4.977 541 HZ3 TRP 66 3HZ TRP 66 -24.288 13.951 3.307 542 HH2 TRP 66 HH TRP 66 -26.368 15.083 3.902 543 H ALA 67 H ALA 67 -18.442 15.339 4.250 544 HA ALA 67 HA ALA 67 -20.003 13.054 3.751 545 1HB ALA 67 1HB ALA 67 -17.091 12.858 3.293 546 2HB ALA 67 2HB ALA 67 -17.931 14.183 2.489 547 3HB ALA 67 3HB ALA 67 -18.439 12.518 2.207 548 H LEU 68 H LEU 68 -17.249 13.591 5.907 549 HA LEU 68 HA LEU 68 -16.904 10.904 6.685 550 1HB LEU 68 2HB LEU 68 -16.065 13.551 7.745 551 2HB LEU 68 1HB LEU 68 -15.961 12.175 8.828 552 HG LEU 68 HG LEU 68 -14.722 12.042 6.102 553 1HD1 LEU 68 1HD1 LEU 68 -13.362 13.129 8.561 554 2HD1 LEU 68 2HD1 LEU 68 -13.926 14.114 7.209 555 3HD1 LEU 68 3HD1 LEU 68 -12.657 12.914 6.959 556 1HD2 LEU 68 1HD2 LEU 68 -13.151 10.549 7.395 557 2HD2 LEU 68 2HD2 LEU 68 -14.803 9.960 7.224 558 3HD2 LEU 68 3HD2 LEU 68 -14.277 10.678 8.746 559 H LYS 69 H LYS 69 -18.834 13.536 8.063 560 HA LYS 69 HA LYS 69 -19.703 12.065 10.332 561 1HB LYS 69 2HB LYS 69 -19.924 14.700 9.424 562 2HB LYS 69 1HB LYS 69 -21.579 14.114 9.504 563 1HG LYS 69 2HG LYS 69 -20.666 13.231 11.870 564 2HG LYS 69 1HG LYS 69 -19.653 14.661 11.662 565 1HD LYS 69 2HD LYS 69 -22.513 15.025 11.051 566 2HD LYS 69 1HD LYS 69 -22.131 14.702 12.743 567 1HE LYS 69 2HE LYS 69 -20.376 16.535 12.528 568 2HE LYS 69 1HE LYS 69 -21.159 16.953 11.005 569 1HZ LYS 69 1HZ LYS 69 -22.694 16.763 13.523 570 2HZ LYS 69 2HZ LYS 69 -23.110 17.564 12.092 571 3HZ LYS 69 3HZ LYS 69 -21.891 18.188 13.086 572 H VAL 70 H VAL 70 -21.258 12.806 7.214 573 HA VAL 70 HA VAL 70 -23.630 11.353 7.779 574 HB VAL 70 HB VAL 70 -23.528 13.114 6.052 575 1HG1 VAL 70 1HG1 VAL 70 -22.368 12.923 4.052 576 2HG1 VAL 70 2HG1 VAL 70 -22.186 11.175 4.207 577 3HG1 VAL 70 3HG1 VAL 70 -21.233 12.255 5.224 578 1HG2 VAL 70 1HG2 VAL 70 -24.482 10.364 5.386 579 2HG2 VAL 70 2HG2 VAL 70 -24.641 11.655 4.195 580 3HG2 VAL 70 3HG2 VAL 70 -25.410 11.813 5.774 581 H ALA 71 H ALA 71 -20.657 10.530 6.024 582 HA ALA 71 HA ALA 71 -21.403 8.035 5.047 583 1HB ALA 71 1HB ALA 71 -19.361 8.944 4.282 584 2HB ALA 71 2HB ALA 71 -18.926 7.504 5.204 585 3HB ALA 71 3HB ALA 71 -18.730 9.104 5.920 586 H GLU 72 H GLU 72 -20.033 8.936 8.176 587 HA GLU 72 HA GLU 72 -19.920 6.289 9.205 588 1HB GLU 72 2HB GLU 72 -18.533 8.081 10.124 589 2HB GLU 72 1HB GLU 72 -19.970 8.955 10.633 590 1HG GLU 72 2HG GLU 72 -20.441 6.707 11.939 591 2HG GLU 72 1HG GLU 72 -18.690 6.554 11.811 592 H ASN 73 H ASN 73 -22.303 8.875 9.283 593 HA ASN 73 HA ASN 73 -24.034 7.626 11.158 594 1HB ASN 73 2HB ASN 73 -24.211 9.949 9.305 595 2HB ASN 73 1HB ASN 73 -25.716 9.281 9.931 596 1HD2 ASN 73 1HD2 ASN 73 -26.215 11.031 11.187 597 2HD2 ASN 73 2HD2 ASN 73 -25.323 11.465 12.602 598 H GLU 74 H GLU 74 -23.926 7.712 7.625 599 HA GLU 74 HA GLU 74 -26.331 6.159 7.354 600 1HB GLU 74 2HB GLU 74 -24.866 7.854 5.701 601 2HB GLU 74 1HB GLU 74 -24.672 6.264 4.975 602 1HG GLU 74 2HG GLU 74 -26.578 7.526 4.067 603 2HG GLU 74 1HG GLU 74 -27.046 5.991 4.796 604 H LEU 75 H LEU 75 -22.856 5.544 6.975 605 HA LEU 75 HA LEU 75 -23.408 2.741 6.387 606 1HB LEU 75 2HB LEU 75 -21.409 4.559 5.610 607 2HB LEU 75 1HB LEU 75 -20.606 3.351 6.592 608 HG LEU 75 HG LEU 75 -20.514 2.753 4.234 609 1HD1 LEU 75 1HD1 LEU 75 -21.056 1.083 6.244 610 2HD1 LEU 75 2HD1 LEU 75 -20.869 0.544 4.576 611 3HD1 LEU 75 3HD1 LEU 75 -22.481 0.790 5.246 612 1HD2 LEU 75 1HD2 LEU 75 -22.283 3.578 3.080 613 2HD2 LEU 75 2HD2 LEU 75 -23.418 3.299 4.400 614 3HD2 LEU 75 3HD2 LEU 75 -22.914 1.959 3.373 615 H GLY 76 H GLY 76 -21.777 4.699 8.854 616 1HA GLY 76 2HA GLY 76 -21.861 4.022 11.166 617 2HA GLY 76 1HA GLY 76 -21.909 2.352 10.629 618 H ILE 77 H ILE 77 -19.676 4.347 8.972 619 HA ILE 77 HA ILE 77 -17.470 2.949 10.282 620 HB ILE 77 HB ILE 77 -17.359 4.712 7.833 621 1HG1 ILE 77 2HG1 ILE 77 -17.176 1.762 7.587 622 2HG1 ILE 77 1HG1 ILE 77 -18.775 2.418 7.927 623 1HG2 ILE 77 1HG2 ILE 77 -15.177 4.180 7.640 624 2HG2 ILE 77 2HG2 ILE 77 -15.411 2.546 8.259 625 3HG2 ILE 77 3HG2 ILE 77 -15.303 3.904 9.378 626 1HD1 ILE 77 1HD1 ILE 77 -17.212 2.466 5.476 627 2HD1 ILE 77 2HD1 ILE 77 -17.886 4.037 5.910 628 3HD1 ILE 77 3HD1 ILE 77 -18.949 2.642 5.722 629 H THR 78 H THR 78 -16.580 3.932 11.976 630 HA THR 78 HA THR 78 -16.805 6.745 12.429 631 HB THR 78 HB THR 78 -16.789 5.279 14.331 632 HG1 THR 78 1HG THR 78 -15.629 6.612 15.450 633 1HG2 THR 78 1HG2 THR 78 -15.497 3.505 14.572 634 2HG2 THR 78 2HG2 THR 78 -14.036 4.477 14.396 635 3HG2 THR 78 3HG2 THR 78 -14.841 3.827 12.968 636 HA PRO 79 HA PRO 79 -13.328 8.178 10.066 637 1HB PRO 79 2HB PRO 79 -13.103 10.191 12.245 638 2HB PRO 79 1HB PRO 79 -13.217 10.431 10.498 639 1HG PRO 79 2HG PRO 79 -15.306 10.918 12.074 640 2HG PRO 79 1HG PRO 79 -15.521 10.175 10.478 641 1HD PRO 79 2HD PRO 79 -15.605 8.915 13.187 642 2HD PRO 79 1HD PRO 79 -16.584 8.566 11.746 643 H VAL 80 H VAL 80 -11.110 8.041 10.118 644 HA VAL 80 HA VAL 80 -9.922 7.155 12.667 645 HB VAL 80 HB VAL 80 -8.986 6.349 9.914 646 1HG1 VAL 80 1HG1 VAL 80 -7.885 4.521 11.331 647 2HG1 VAL 80 2HG1 VAL 80 -8.215 5.572 12.708 648 3HG1 VAL 80 3HG1 VAL 80 -7.187 6.140 11.393 649 1HG2 VAL 80 1HG2 VAL 80 -10.877 5.000 11.819 650 2HG2 VAL 80 2HG2 VAL 80 -9.957 4.093 10.617 651 3HG2 VAL 80 3HG2 VAL 80 -11.095 5.337 10.101 652 H VAL 81 H VAL 81 -9.814 9.470 10.163 653 HA VAL 81 HA VAL 81 -7.352 10.578 11.297 654 HB VAL 81 HB VAL 81 -6.678 9.387 9.259 655 1HG1 VAL 81 1HG1 VAL 81 -7.466 10.354 7.056 656 2HG1 VAL 81 2HG1 VAL 81 -8.762 11.128 7.968 657 3HG1 VAL 81 3HG1 VAL 81 -8.635 9.370 7.939 658 1HG2 VAL 81 1HG2 VAL 81 -5.456 11.176 8.228 659 2HG2 VAL 81 2HG2 VAL 81 -5.566 11.502 9.959 660 3HG2 VAL 81 3HG2 VAL 81 -6.607 12.370 8.830 661 H SER 82 H SER 82 -7.069 12.873 10.844 662 HA SER 82 HA SER 82 -9.565 14.280 11.013 663 1HB SER 82 2HB SER 82 -7.447 14.867 12.285 664 2HB SER 82 1HB SER 82 -6.815 15.504 10.768 665 HG SER 82 HG SER 82 -7.764 17.245 11.562 666 H ALA 83 H ALA 83 -10.323 15.900 9.607 667 HA ALA 83 HA ALA 83 -10.121 15.307 6.864 668 1HB ALA 83 1HB ALA 83 -11.204 17.761 8.239 669 2HB ALA 83 2HB ALA 83 -12.111 16.323 7.773 670 3HB ALA 83 3HB ALA 83 -11.431 17.376 6.533 671 H GLN 84 H GLN 84 -8.686 17.889 8.824 672 HA GLN 84 HA GLN 84 -7.493 19.343 6.760 673 1HB GLN 84 2HB GLN 84 -7.676 19.710 9.404 674 2HB GLN 84 1HB GLN 84 -6.030 19.099 9.337 675 1HG GLN 84 2HG GLN 84 -6.412 21.084 7.308 676 2HG GLN 84 1HG GLN 84 -6.918 21.714 8.876 677 1HE2 GLN 84 1HE2 GLN 84 -5.402 21.839 10.557 678 2HE2 GLN 84 2HE2 GLN 84 -3.703 21.827 10.245 679 H ALA 85 H ALA 85 -6.405 16.473 8.478 680 HA ALA 85 HA ALA 85 -3.757 16.453 7.481 681 1HB ALA 85 1HB ALA 85 -5.025 15.053 9.388 682 2HB ALA 85 2HB ALA 85 -3.504 14.542 8.660 683 3HB ALA 85 3HB ALA 85 -5.028 13.860 8.090 684 H VAL 86 H VAL 86 -6.738 14.865 6.392 685 HA VAL 86 HA VAL 86 -5.608 13.418 4.265 686 HB VAL 86 HB VAL 86 -8.418 14.516 4.354 687 1HG1 VAL 86 1HG1 VAL 86 -7.831 11.854 3.240 688 2HG1 VAL 86 2HG1 VAL 86 -7.206 13.223 2.322 689 3HG1 VAL 86 3HG1 VAL 86 -8.932 13.107 2.670 690 1HG2 VAL 86 1HG2 VAL 86 -7.104 12.419 5.952 691 2HG2 VAL 86 2HG2 VAL 86 -8.662 11.984 5.253 692 3HG2 VAL 86 3HG2 VAL 86 -8.531 13.391 6.306 693 H VAL 87 H VAL 87 -7.269 16.571 4.269 694 HA VAL 87 HA VAL 87 -6.951 17.094 1.525 695 HB VAL 87 HB VAL 87 -7.123 19.153 3.727 696 1HG1 VAL 87 1HG1 VAL 87 -8.403 19.570 1.102 697 2HG1 VAL 87 2HG1 VAL 87 -6.639 19.597 1.119 698 3HG1 VAL 87 3HG1 VAL 87 -7.549 20.708 2.144 699 1HG2 VAL 87 1HG2 VAL 87 -9.583 18.437 2.311 700 2HG2 VAL 87 2HG2 VAL 87 -9.304 18.722 4.028 701 3HG2 VAL 87 3HG2 VAL 87 -8.935 17.148 3.324 702 H ALA 88 H ALA 88 -4.868 17.685 4.289 703 HA ALA 88 HA ALA 88 -2.980 19.240 2.748 704 1HB ALA 88 1HB ALA 88 -2.851 18.190 5.570 705 2HB ALA 88 2HB ALA 88 -3.312 19.817 5.067 706 3HB ALA 88 3HB ALA 88 -1.656 19.257 4.831 707 H GLY 89 H GLY 89 -3.565 15.934 3.264 708 1HA GLY 89 2HA GLY 89 -2.393 14.043 2.708 709 2HA GLY 89 1HA GLY 89 -1.474 15.076 1.624 710 H SER 90 H SER 90 -1.545 15.653 5.060 711 HA SER 90 HA SER 90 1.309 14.974 5.173 712 1HB SER 90 2HB SER 90 -0.253 16.567 7.208 713 2HB SER 90 1HB SER 90 1.497 16.484 7.013 714 HG SER 90 HG SER 90 -0.344 17.599 5.161 715 H ASP 91 H ASP 91 -0.794 12.964 5.315 716 HA ASP 91 HA ASP 91 0.127 11.599 7.671 717 1HB ASP 91 2HB ASP 91 -2.586 12.800 7.551 718 2HB ASP 91 1HB ASP 91 -2.472 11.165 8.194 719 HA PRO 92 HA PRO 92 -0.902 9.153 3.736 720 1HB PRO 92 2HB PRO 92 1.677 7.960 4.631 721 2HB PRO 92 1HB PRO 92 1.124 8.350 2.999 722 1HG PRO 92 2HG PRO 92 2.919 9.885 4.222 723 2HG PRO 92 1HG PRO 92 1.645 10.600 3.217 724 1HD PRO 92 2HD PRO 92 1.870 10.479 6.192 725 2HD PRO 92 1HD PRO 92 1.220 11.768 5.159 726 H LEU 93 H LEU 93 0.506 8.118 6.834 727 HA LEU 93 HA LEU 93 -0.348 5.462 6.781 728 1HB LEU 93 2HB LEU 93 1.142 6.920 8.475 729 2HB LEU 93 1HB LEU 93 -0.347 6.858 9.395 730 HG LEU 93 HG LEU 93 0.487 4.248 8.363 731 1HD1 LEU 93 1HD1 LEU 93 2.663 5.519 8.909 732 2HD1 LEU 93 2HD1 LEU 93 2.420 3.917 9.602 733 3HD1 LEU 93 3HD1 LEU 93 2.153 5.354 10.589 734 1HD2 LEU 93 1HD2 LEU 93 -1.325 4.799 10.052 735 2HD2 LEU 93 2HD2 LEU 93 -0.020 5.106 11.197 736 3HD2 LEU 93 3HD2 LEU 93 -0.207 3.504 10.486 737 H GLY 94 H GLY 94 -2.024 8.395 7.768 738 1HA GLY 94 2HA GLY 94 -4.262 7.083 8.943 739 2HA GLY 94 1HA GLY 94 -4.193 8.764 8.443 740 H LEU 95 H LEU 95 -3.612 8.345 5.704 741 HA LEU 95 HA LEU 95 -6.191 8.066 4.655 742 1HB LEU 95 2HB LEU 95 -4.341 9.295 3.563 743 2HB LEU 95 1HB LEU 95 -3.561 7.767 3.203 744 HG LEU 95 HG LEU 95 -5.866 7.261 2.003 745 1HD1 LEU 95 1HD1 LEU 95 -6.841 9.217 0.993 746 2HD1 LEU 95 2HD1 LEU 95 -5.680 10.262 1.812 747 3HD1 LEU 95 3HD1 LEU 95 -6.887 9.382 2.747 748 1HD2 LEU 95 1HD2 LEU 95 -4.721 7.497 0.065 749 2HD2 LEU 95 2HD2 LEU 95 -3.366 7.739 1.169 750 3HD2 LEU 95 3HD2 LEU 95 -4.180 9.130 0.455 751 H ILE 96 H ILE 96 -3.508 5.769 4.840 752 HA ILE 96 HA ILE 96 -4.764 3.715 3.344 753 HB ILE 96 HB ILE 96 -2.640 3.381 5.466 754 1HG1 ILE 96 2HG1 ILE 96 -1.997 5.063 3.765 755 2HG1 ILE 96 1HG1 ILE 96 -1.005 3.612 3.676 756 1HG2 ILE 96 1HG2 ILE 96 -3.126 1.677 3.038 757 2HG2 ILE 96 2HG2 ILE 96 -3.874 1.346 4.601 758 3HG2 ILE 96 3HG2 ILE 96 -2.118 1.322 4.440 759 1HD1 ILE 96 1HD1 ILE 96 -1.649 3.178 1.591 760 2HD1 ILE 96 2HD1 ILE 96 -2.249 4.837 1.574 761 3HD1 ILE 96 3HD1 ILE 96 -3.344 3.506 1.950 762 H ALA 97 H ALA 97 -4.607 4.439 6.804 763 HA ALA 97 HA ALA 97 -5.842 2.108 7.751 764 1HB ALA 97 1HB ALA 97 -4.645 3.786 9.147 765 2HB ALA 97 2HB ALA 97 -6.209 3.299 9.797 766 3HB ALA 97 3HB ALA 97 -6.039 4.853 8.981 767 H TYR 98 H TYR 98 -7.227 5.227 6.776 768 HA TYR 98 HA TYR 98 -9.908 4.531 7.399 769 1HB TYR 98 2HB TYR 98 -9.037 6.872 7.151 770 2HB TYR 98 1HB TYR 98 -8.966 6.606 5.412 771 HD1 TYR 98 1HD TYR 98 -11.067 7.447 8.216 772 HD2 TYR 98 2HD TYR 98 -11.101 6.165 4.159 773 HE1 TYR 98 1HE TYR 98 -13.417 8.143 8.022 774 HE2 TYR 98 2HE TYR 98 -13.453 6.860 3.954 775 HH TYR 98 HH TYR 98 -14.932 8.845 5.568 776 H LEU 99 H LEU 99 -8.035 4.517 4.387 777 HA LEU 99 HA LEU 99 -10.095 3.757 2.657 778 1HB LEU 99 2HB LEU 99 -7.241 4.036 2.553 779 2HB LEU 99 1HB LEU 99 -7.705 2.552 1.744 780 HG LEU 99 HG LEU 99 -8.858 5.266 1.104 781 1HD1 LEU 99 1HD1 LEU 99 -7.468 4.686 -1.072 782 2HD1 LEU 99 2HD1 LEU 99 -6.472 3.816 0.098 783 3HD1 LEU 99 3HD1 LEU 99 -6.751 5.547 0.290 784 1HD2 LEU 99 1HD2 LEU 99 -8.967 3.032 -0.814 785 2HD2 LEU 99 2HD2 LEU 99 -10.168 4.268 -0.437 786 3HD2 LEU 99 3HD2 LEU 99 -9.983 2.867 0.618 787 H SER 100 H SER 100 -7.947 1.833 4.685 788 HA SER 100 HA SER 100 -8.582 -0.700 3.671 789 1HB SER 100 2HB SER 100 -7.390 0.355 6.174 790 2HB SER 100 1HB SER 100 -8.052 -1.277 6.253 791 HG SER 100 HG SER 100 -6.285 -0.454 4.204 792 H HIS 101 H HIS 101 -10.181 1.316 6.072 793 HA HIS 101 HA HIS 101 -12.034 -0.690 6.912 794 1HB HIS 101 2HB HIS 101 -11.287 1.478 8.139 795 2HB HIS 101 1HB HIS 101 -12.536 2.259 7.176 796 HD1 HIS 101 1HD HIS 101 -14.761 0.172 7.336 797 HD2 HIS 101 2HD HIS 101 -12.449 1.333 10.588 798 HE1 HIS 101 1HE HIS 101 -16.141 -0.365 9.369 799 HE2 HIS 101 2HE HIS 101 -14.760 0.432 11.319 800 H PHE 102 H PHE 102 -12.114 1.958 4.577 801 HA PHE 102 HA PHE 102 -14.862 1.731 3.932 802 1HB PHE 102 2HB PHE 102 -12.663 3.353 3.142 803 2HB PHE 102 1HB PHE 102 -13.384 2.689 1.679 804 HD1 PHE 102 1HD PHE 102 -14.676 4.014 4.925 805 HD2 PHE 102 2HD PHE 102 -14.857 4.117 0.675 806 HE1 PHE 102 1HE PHE 102 -16.460 5.703 5.047 807 HE2 PHE 102 2HE PHE 102 -16.641 5.808 0.788 808 HZ PHE 102 HZ PHE 102 -17.446 6.603 2.976 809 H HIS 103 H HIS 103 -11.934 0.311 2.547 810 HA HIS 103 HA HIS 103 -13.191 -0.943 0.350 811 1HB HIS 103 2HB HIS 103 -10.743 -0.546 0.528 812 2HB HIS 103 1HB HIS 103 -10.660 -1.785 1.777 813 HD1 HIS 103 1HD HIS 103 -9.484 -3.684 0.698 814 HD2 HIS 103 2HD HIS 103 -12.410 -2.063 -1.766 815 HE1 HIS 103 1HE HIS 103 -9.564 -5.178 -1.322 816 HE2 HIS 103 2HE HIS 103 -11.403 -4.228 -2.758 817 H SER 104 H SER 104 -12.453 -2.039 3.630 818 HA SER 104 HA SER 104 -13.195 -4.721 3.322 819 1HB SER 104 2HB SER 104 -12.116 -3.317 5.346 820 2HB SER 104 1HB SER 104 -13.776 -3.421 5.927 821 HG SER 104 HG SER 104 -12.337 -5.682 5.021 822 H ALA 105 H ALA 105 -15.104 -1.887 4.265 823 HA ALA 105 HA ALA 105 -17.515 -3.363 4.664 824 1HB ALA 105 1HB ALA 105 -16.728 -0.511 4.666 825 2HB ALA 105 2HB ALA 105 -17.665 -1.431 5.843 826 3HB ALA 105 3HB ALA 105 -18.427 -0.871 4.356 827 H PHE 106 H PHE 106 -16.249 -1.352 2.031 828 HA PHE 106 HA PHE 106 -18.526 -1.538 0.375 829 1HB PHE 106 2HB PHE 106 -15.645 -0.836 -0.100 830 2HB PHE 106 1HB PHE 106 -16.763 -0.981 -1.452 831 HD1 PHE 106 1HD PHE 106 -17.205 0.442 1.966 832 HD2 PHE 106 2HD PHE 106 -17.190 1.133 -2.230 833 HE1 PHE 106 1HE PHE 106 -17.968 2.750 2.349 834 HE2 PHE 106 2HE PHE 106 -17.952 3.444 -1.857 835 HZ PHE 106 HZ PHE 106 -18.341 4.255 0.435 836 H LYS 107 H LYS 107 -15.915 -3.714 1.015 837 HA LYS 107 HA LYS 107 -15.826 -5.226 -1.309 838 1HB LYS 107 2HB LYS 107 -14.564 -5.363 1.065 839 2HB LYS 107 1HB LYS 107 -15.682 -6.708 1.254 840 1HG LYS 107 2HG LYS 107 -14.721 -7.208 -1.221 841 2HG LYS 107 1HG LYS 107 -13.322 -6.435 -0.472 842 1HD LYS 107 2HD LYS 107 -14.183 -8.160 1.485 843 2HD LYS 107 1HD LYS 107 -14.494 -9.068 0.005 844 1HE LYS 107 2HE LYS 107 -12.319 -9.671 0.491 845 2HE LYS 107 1HE LYS 107 -12.086 -8.339 -0.639 846 1HZ LYS 107 1HZ LYS 107 -10.864 -8.495 1.712 847 2HZ LYS 107 2HZ LYS 107 -12.232 -7.614 2.171 848 3HZ LYS 107 3HZ LYS 107 -11.219 -7.025 0.952 849 H SER 108 H SER 108 -18.082 -5.392 1.399 850 HA SER 108 HA SER 108 -19.390 -7.767 0.675 851 1HB SER 108 2HB SER 108 -19.573 -6.095 2.791 852 2HB SER 108 1HB SER 108 -21.035 -5.637 1.917 853 HG SER 108 HG SER 108 -20.314 -8.270 2.702 854 H MET 109 H MET 109 -20.218 -4.378 -0.045 855 HA MET 109 HA MET 109 -22.349 -5.189 -1.823 856 1HB MET 109 2HB MET 109 -22.466 -3.140 -0.382 857 2HB MET 109 1HB MET 109 -21.212 -2.424 -1.386 858 1HG MET 109 2HG MET 109 -23.405 -1.628 -2.037 859 2HG MET 109 1HG MET 109 -22.675 -2.575 -3.330 860 1HE MET 109 1HE MET 109 -24.416 -4.584 -0.185 861 2HE MET 109 2HE MET 109 -26.022 -3.940 -0.526 862 3HE MET 109 3HE MET 109 -24.690 -2.843 -0.159 Start of MODEL 7 1 1H MET -8 1HT MET -8 30.317 -12.001 -9.232 2 2H MET -8 2HT MET -8 31.369 -13.291 -9.649 3 3H MET -8 3HT MET -8 30.023 -13.575 -8.619 4 HA MET -8 HA MET -8 29.794 -12.627 -11.391 5 1HB MET -8 2HB MET -8 30.795 -15.063 -10.624 6 2HB MET -8 1HB MET -8 29.076 -15.407 -10.753 7 1HG MET -8 2HG MET -8 30.619 -14.060 -12.946 8 2HG MET -8 1HG MET -8 30.482 -15.813 -12.812 9 1HE MET -8 1HE MET -8 28.379 -13.414 -15.362 10 2HE MET -8 2HE MET -8 28.721 -15.093 -15.778 11 3HE MET -8 3HE MET -8 29.984 -14.086 -15.069 12 H GLY -7 H GLY -7 28.024 -11.339 -11.013 13 1HA GLY -7 2HA GLY -7 25.588 -12.772 -10.212 14 2HA GLY -7 1HA GLY -7 25.989 -11.270 -9.393 15 H HIS -6 H HIS -6 23.813 -12.252 -11.353 16 HA HIS -6 HA HIS -6 24.065 -10.039 -13.280 17 1HB HIS -6 2HB HIS -6 22.353 -11.326 -14.615 18 2HB HIS -6 1HB HIS -6 23.925 -12.105 -14.469 19 HD1 HIS -6 1HD HIS -6 20.350 -12.587 -13.764 20 HD2 HIS -6 2HD HIS -6 23.948 -14.342 -12.651 21 HE1 HIS -6 1HE HIS -6 19.731 -14.806 -12.756 22 HE2 HIS -6 2HE HIS -6 21.918 -15.811 -12.009 23 H HIS -5 H HIS -5 22.566 -8.467 -13.310 24 HA HIS -5 HA HIS -5 20.805 -7.173 -12.697 25 1HB HIS -5 2HB HIS -5 19.557 -9.889 -12.263 26 2HB HIS -5 1HB HIS -5 18.665 -8.382 -12.083 27 HD1 HIS -5 1HD HIS -5 20.898 -7.827 -14.783 28 HD2 HIS -5 2HD HIS -5 17.316 -9.889 -14.351 29 HE1 HIS -5 1HE HIS -5 19.983 -8.081 -17.112 30 HE2 HIS -5 2HE HIS -5 17.860 -9.409 -16.834 31 H HIS -4 H HIS -4 20.159 -9.766 -10.367 32 HA HIS -4 HA HIS -4 20.076 -9.781 -8.095 33 1HB HIS -4 2HB HIS -4 22.589 -8.731 -8.813 34 2HB HIS -4 1HB HIS -4 22.003 -7.718 -7.497 35 HD1 HIS -4 1HD HIS -4 24.010 -10.544 -7.954 36 HD2 HIS -4 2HD HIS -4 20.921 -9.643 -5.325 37 HE1 HIS -4 1HE HIS -4 24.291 -12.126 -6.020 38 HE2 HIS -4 2HE HIS -4 22.464 -11.502 -4.401 39 H HIS -3 H HIS -3 20.296 -7.930 -6.132 40 HA HIS -3 HA HIS -3 19.141 -6.294 -5.053 41 1HB HIS -3 2HB HIS -3 18.997 -4.991 -7.778 42 2HB HIS -3 1HB HIS -3 18.779 -4.193 -6.224 43 HD1 HIS -3 1HD HIS -3 20.839 -3.319 -5.093 44 HD2 HIS -3 2HD HIS -3 21.716 -5.881 -8.246 45 HE1 HIS -3 1HE HIS -3 23.329 -3.173 -5.405 46 HE2 HIS -3 2HE HIS -3 23.826 -4.662 -7.374 47 H HIS -2 H HIS -2 16.998 -5.167 -4.924 48 HA HIS -2 HA HIS -2 14.878 -5.955 -6.648 49 1HB HIS -2 2HB HIS -2 15.439 -8.057 -5.244 50 2HB HIS -2 1HB HIS -2 14.690 -7.186 -3.912 51 HD1 HIS -2 1HD HIS -2 12.230 -6.010 -5.129 52 HD2 HIS -2 2HD HIS -2 13.579 -9.822 -6.087 53 HE1 HIS -2 1HE HIS -2 10.215 -7.235 -5.999 54 HE2 HIS -2 2HE HIS -2 11.037 -9.566 -6.496 55 H HIS -1 H HIS -1 13.406 -4.397 -6.542 56 HA HIS -1 HA HIS -1 12.925 -3.052 -3.979 57 1HB HIS -1 2HB HIS -1 13.693 -1.767 -6.586 58 2HB HIS -1 1HB HIS -1 12.729 -0.889 -5.403 59 HD1 HIS -1 1HD HIS -1 13.897 -0.219 -3.184 60 HD2 HIS -1 2HD HIS -1 16.383 -2.105 -5.928 61 HE1 HIS -1 1HE HIS -1 16.236 0.168 -2.347 62 HE2 HIS -1 2HE HIS -1 17.719 -1.052 -3.980 63 H MET 0 H MET 0 10.895 -3.765 -3.628 64 HA MET 0 HA MET 0 8.742 -2.640 -5.036 65 1HB MET 0 2HB MET 0 9.754 -5.095 -6.143 66 2HB MET 0 1HB MET 0 8.125 -5.349 -5.533 67 1HG MET 0 2HG MET 0 7.585 -3.167 -6.832 68 2HG MET 0 1HG MET 0 9.074 -3.536 -7.701 69 1HE MET 0 1HE MET 0 5.022 -4.809 -7.870 70 2HE MET 0 2HE MET 0 5.894 -4.726 -6.339 71 3HE MET 0 3HE MET 0 5.588 -6.290 -7.096 72 H GLY 1 H GLY 1 8.040 -2.144 -2.970 73 1HA GLY 1 2HA GLY 1 6.693 -4.336 -1.592 74 2HA GLY 1 1HA GLY 1 7.896 -3.447 -0.669 75 H SER 2 H SER 2 7.557 -0.918 -1.028 76 HA SER 2 HA SER 2 4.819 -0.420 -0.144 77 1HB SER 2 2HB SER 2 6.995 1.651 -0.184 78 2HB SER 2 1HB SER 2 5.610 1.519 0.899 79 HG SER 2 HG SER 2 7.103 0.689 2.160 80 H ALA 3 H ALA 3 5.829 -0.771 -3.034 81 HA ALA 3 HA ALA 3 4.663 1.723 -4.085 82 1HB ALA 3 1HB ALA 3 6.875 0.007 -5.168 83 2HB ALA 3 2HB ALA 3 6.892 1.733 -4.808 84 3HB ALA 3 3HB ALA 3 5.981 1.129 -6.193 85 H GLY 4 H GLY 4 4.826 -1.785 -4.359 86 1HA GLY 4 2HA GLY 4 2.889 -1.867 -6.508 87 2HA GLY 4 1HA GLY 4 3.593 -3.249 -5.681 88 H THR 5 H THR 5 2.854 -2.090 -3.033 89 HA THR 5 HA THR 5 0.262 -3.295 -2.856 90 HB THR 5 HB THR 5 0.415 -2.727 -0.457 91 HG1 THR 5 1HG THR 5 2.900 -1.538 -1.114 92 1HG2 THR 5 1HG2 THR 5 3.049 -3.649 -0.436 93 2HG2 THR 5 2HG2 THR 5 2.303 -4.350 -1.873 94 3HG2 THR 5 3HG2 THR 5 1.571 -4.600 -0.288 95 H GLN 6 H GLN 6 1.505 0.003 -2.385 96 HA GLN 6 HA GLN 6 -0.979 1.195 -1.812 97 1HB GLN 6 2HB GLN 6 1.668 2.236 -2.764 98 2HB GLN 6 1HB GLN 6 0.277 3.309 -2.681 99 1HG GLN 6 2HG GLN 6 0.029 2.753 -0.293 100 2HG GLN 6 1HG GLN 6 1.483 1.761 -0.400 101 1HE2 GLN 6 1HE2 GLN 6 2.262 3.183 1.294 102 2HE2 GLN 6 2HE2 GLN 6 2.970 4.698 0.864 103 H GLU 7 H GLU 7 0.638 0.457 -4.827 104 HA GLU 7 HA GLU 7 -0.888 2.078 -6.538 105 1HB GLU 7 2HB GLU 7 1.266 0.550 -6.911 106 2HB GLU 7 1HB GLU 7 0.052 -0.571 -7.511 107 1HG GLU 7 2HG GLU 7 0.960 0.699 -9.337 108 2HG GLU 7 1HG GLU 7 -0.727 1.145 -9.086 109 H GLU 8 H GLU 8 -1.344 -1.310 -5.547 110 HA GLU 8 HA GLU 8 -3.638 -1.768 -7.114 111 1HB GLU 8 2HB GLU 8 -4.008 -3.726 -5.716 112 2HB GLU 8 1HB GLU 8 -2.305 -3.582 -6.129 113 1HG GLU 8 2HG GLU 8 -1.678 -3.151 -3.990 114 2HG GLU 8 1HG GLU 8 -3.206 -2.377 -3.577 115 H LEU 9 H LEU 9 -3.199 -0.314 -3.963 116 HA LEU 9 HA LEU 9 -5.931 -0.417 -3.175 117 1HB LEU 9 2HB LEU 9 -3.723 1.440 -2.280 118 2HB LEU 9 1HB LEU 9 -5.275 1.257 -1.485 119 HG LEU 9 HG LEU 9 -3.280 -0.984 -1.795 120 1HD1 LEU 9 1HD1 LEU 9 -3.199 -0.487 0.806 121 2HD1 LEU 9 2HD1 LEU 9 -3.560 1.147 0.249 122 3HD1 LEU 9 3HD1 LEU 9 -2.119 0.316 -0.334 123 1HD2 LEU 9 1HD2 LEU 9 -5.924 -1.189 -1.331 124 2HD2 LEU 9 2HD2 LEU 9 -5.335 -0.984 0.319 125 3HD2 LEU 9 3HD2 LEU 9 -4.728 -2.306 -0.676 126 H LEU 10 H LEU 10 -3.912 2.144 -4.591 127 HA LEU 10 HA LEU 10 -5.941 4.091 -4.738 128 1HB LEU 10 2HB LEU 10 -3.231 3.972 -5.306 129 2HB LEU 10 1HB LEU 10 -3.962 4.264 -6.871 130 HG LEU 10 HG LEU 10 -4.644 5.962 -4.487 131 1HD1 LEU 10 1HD1 LEU 10 -2.153 5.883 -4.930 132 2HD1 LEU 10 2HD1 LEU 10 -2.911 7.475 -4.997 133 3HD1 LEU 10 3HD1 LEU 10 -2.505 6.628 -6.490 134 1HD2 LEU 10 1HD2 LEU 10 -5.067 7.617 -6.338 135 2HD2 LEU 10 2HD2 LEU 10 -6.161 6.234 -6.289 136 3HD2 LEU 10 3HD2 LEU 10 -4.855 6.282 -7.472 137 H ARG 11 H ARG 11 -4.871 1.607 -7.000 138 HA ARG 11 HA ARG 11 -6.358 2.402 -9.231 139 1HB ARG 11 2HB ARG 11 -5.290 -0.248 -8.306 140 2HB ARG 11 1HB ARG 11 -6.269 -0.136 -9.764 141 1HG ARG 11 2HG ARG 11 -4.550 1.750 -10.383 142 2HG ARG 11 1HG ARG 11 -3.528 0.886 -9.232 143 1HD ARG 11 2HD ARG 11 -3.361 -0.958 -10.557 144 2HD ARG 11 1HD ARG 11 -4.956 -0.725 -11.270 145 HE ARG 11 HE ARG 11 -2.502 0.128 -12.356 146 1HH1 ARG 11 1HH1 ARG 11 -5.788 1.216 -11.919 147 2HH1 ARG 11 2HH1 ARG 11 -5.768 2.239 -13.314 148 1HH2 ARG 11 1HH2 ARG 11 -2.472 1.474 -14.192 149 2HH2 ARG 11 2HH2 ARG 11 -3.885 2.387 -14.606 150 H TRP 12 H TRP 12 -7.215 0.247 -6.548 151 HA TRP 12 HA TRP 12 -9.755 -0.485 -7.535 152 1HB TRP 12 2HB TRP 12 -8.512 -1.683 -5.724 153 2HB TRP 12 1HB TRP 12 -8.890 -0.345 -4.640 154 HD1 TRP 12 HD TRP 12 -10.506 -3.336 -6.386 155 HE1 TRP 12 1HE TRP 12 -12.801 -3.778 -5.308 156 HE3 TRP 12 3HE TRP 12 -10.811 0.801 -3.397 157 HZ2 TRP 12 2HZ TRP 12 -14.513 -2.540 -3.437 158 HZ3 TRP 12 3HZ TRP 12 -12.810 1.097 -1.995 159 HH2 TRP 12 HH TRP 12 -14.622 -0.539 -2.015 160 H CYS 13 H CYS 13 -8.701 2.100 -5.360 161 HA CYS 13 HA CYS 13 -11.230 3.073 -4.657 162 1HB CYS 13 2HB CYS 13 -8.731 3.698 -3.901 163 2HB CYS 13 1HB CYS 13 -9.029 5.039 -5.003 164 HG CYS 13 HG CYS 13 -11.089 4.589 -2.748 165 H GLN 14 H GLN 14 -9.083 3.972 -7.337 166 HA GLN 14 HA GLN 14 -10.662 6.040 -8.377 167 1HB GLN 14 2HB GLN 14 -8.291 5.582 -8.997 168 2HB GLN 14 1HB GLN 14 -8.836 4.188 -9.917 169 1HG GLN 14 2HG GLN 14 -10.198 5.697 -11.320 170 2HG GLN 14 1HG GLN 14 -9.529 7.068 -10.439 171 1HE2 GLN 14 1HE2 GLN 14 -8.194 4.099 -11.862 172 2HE2 GLN 14 2HE2 GLN 14 -6.955 4.889 -12.771 173 H GLU 15 H GLU 15 -10.772 2.561 -8.841 174 HA GLU 15 HA GLU 15 -12.542 2.552 -11.047 175 1HB GLU 15 2HB GLU 15 -11.158 0.638 -9.566 176 2HB GLU 15 1HB GLU 15 -12.852 0.250 -9.300 177 1HG GLU 15 2HG GLU 15 -12.199 -1.009 -11.163 178 2HG GLU 15 1HG GLU 15 -13.131 0.341 -11.810 179 H GLN 16 H GLN 16 -13.082 2.293 -7.552 180 HA GLN 16 HA GLN 16 -15.904 2.030 -7.738 181 1HB GLN 16 2HB GLN 16 -14.063 2.805 -5.479 182 2HB GLN 16 1HB GLN 16 -15.807 2.706 -5.282 183 1HG GLN 16 2HG GLN 16 -14.056 0.436 -6.192 184 2HG GLN 16 1HG GLN 16 -14.608 0.683 -4.536 185 1HE2 GLN 16 1HE2 GLN 16 -15.285 -1.632 -5.366 186 2HE2 GLN 16 2HE2 GLN 16 -16.927 -1.732 -5.895 187 H THR 17 H THR 17 -13.728 4.756 -7.614 188 HA THR 17 HA THR 17 -15.952 6.623 -7.298 189 HB THR 17 HB THR 17 -12.979 7.150 -7.438 190 HG1 THR 17 1HG THR 17 -13.654 5.982 -5.574 191 1HG2 THR 17 1HG2 THR 17 -14.138 9.201 -6.036 192 2HG2 THR 17 2HG2 THR 17 -15.261 8.938 -7.369 193 3HG2 THR 17 3HG2 THR 17 -13.563 9.274 -7.702 194 H ALA 18 H ALA 18 -14.847 4.978 -9.810 195 HA ALA 18 HA ALA 18 -14.438 7.115 -11.708 196 1HB ALA 18 1HB ALA 18 -14.694 4.132 -12.046 197 2HB ALA 18 2HB ALA 18 -13.216 5.093 -12.072 198 3HB ALA 18 3HB ALA 18 -14.395 5.255 -13.373 199 H GLY 19 H GLY 19 -15.978 8.152 -12.796 200 1HA GLY 19 2HA GLY 19 -18.078 7.389 -14.196 201 2HA GLY 19 1HA GLY 19 -18.732 7.192 -12.578 202 H TYR 20 H TYR 20 -17.153 9.523 -11.600 203 HA TYR 20 HA TYR 20 -19.071 11.551 -12.401 204 1HB TYR 20 2HB TYR 20 -16.871 11.768 -10.341 205 2HB TYR 20 1HB TYR 20 -18.269 12.824 -10.517 206 HD1 TYR 20 1HD TYR 20 -20.325 12.301 -9.474 207 HD2 TYR 20 2HD TYR 20 -17.231 9.383 -9.610 208 HE1 TYR 20 1HE TYR 20 -21.590 10.897 -7.903 209 HE2 TYR 20 2HE TYR 20 -18.488 7.970 -8.038 210 HH TYR 20 HH TYR 20 -21.511 8.088 -7.471 211 HA PRO 21 HA PRO 21 -16.173 13.216 -15.397 212 1HB PRO 21 2HB PRO 21 -18.000 15.538 -15.364 213 2HB PRO 21 1HB PRO 21 -17.508 14.512 -16.715 214 1HG PRO 21 2HG PRO 21 -19.972 14.365 -15.680 215 2HG PRO 21 1HG PRO 21 -19.126 12.922 -16.273 216 1HD PRO 21 2HD PRO 21 -19.527 13.865 -13.460 217 2HD PRO 21 1HD PRO 21 -19.599 12.218 -14.119 218 H GLY 22 H GLY 22 -14.311 14.130 -14.807 219 1HA GLY 22 2HA GLY 22 -13.129 16.166 -14.262 220 2HA GLY 22 1HA GLY 22 -14.416 16.552 -13.131 221 H VAL 23 H VAL 23 -14.457 13.734 -12.157 222 HA VAL 23 HA VAL 23 -12.471 14.079 -10.108 223 HB VAL 23 HB VAL 23 -14.275 11.698 -10.541 224 1HG1 VAL 23 1HG1 VAL 23 -13.079 12.714 -7.975 225 2HG1 VAL 23 2HG1 VAL 23 -12.300 11.494 -8.983 226 3HG1 VAL 23 3HG1 VAL 23 -13.878 11.170 -8.268 227 1HG2 VAL 23 1HG2 VAL 23 -14.778 14.256 -9.026 228 2HG2 VAL 23 2HG2 VAL 23 -15.763 12.800 -8.878 229 3HG2 VAL 23 3HG2 VAL 23 -15.669 13.648 -10.421 230 H HIS 24 H HIS 24 -10.461 13.397 -10.217 231 HA HIS 24 HA HIS 24 -9.836 11.027 -11.850 232 1HB HIS 24 2HB HIS 24 -8.600 13.724 -11.842 233 2HB HIS 24 1HB HIS 24 -7.493 12.357 -11.936 234 HD1 HIS 24 1HD HIS 24 -10.641 11.604 -13.585 235 HD2 HIS 24 2HD HIS 24 -7.076 13.471 -14.619 236 HE1 HIS 24 1HE HIS 24 -10.617 11.661 -16.099 237 HE2 HIS 24 2HE HIS 24 -8.493 12.874 -16.700 238 H VAL 25 H VAL 25 -10.223 10.018 -9.691 239 HA VAL 25 HA VAL 25 -8.536 10.494 -7.490 240 HB VAL 25 HB VAL 25 -9.836 7.861 -8.188 241 1HG1 VAL 25 1HG1 VAL 25 -9.393 7.183 -6.085 242 2HG1 VAL 25 2HG1 VAL 25 -9.634 8.790 -5.402 243 3HG1 VAL 25 3HG1 VAL 25 -8.106 8.383 -6.182 244 1HG2 VAL 25 1HG2 VAL 25 -11.709 8.720 -6.730 245 2HG2 VAL 25 2HG2 VAL 25 -11.570 9.472 -8.319 246 3HG2 VAL 25 3HG2 VAL 25 -10.985 10.321 -6.888 247 H SER 26 H SER 26 -6.386 10.613 -8.118 248 HA SER 26 HA SER 26 -5.086 8.045 -8.464 249 1HB SER 26 2HB SER 26 -5.611 9.316 -10.759 250 2HB SER 26 1HB SER 26 -4.119 10.154 -10.329 251 HG SER 26 HG SER 26 -3.081 8.143 -10.231 252 H ASP 27 H ASP 27 -5.306 10.366 -6.530 253 HA ASP 27 HA ASP 27 -2.430 10.599 -6.034 254 1HB ASP 27 2HB ASP 27 -4.370 12.918 -5.891 255 2HB ASP 27 1HB ASP 27 -2.675 12.970 -5.419 256 H LEU 28 H LEU 28 -1.852 10.529 -3.893 257 HA LEU 28 HA LEU 28 -4.000 9.840 -2.035 258 1HB LEU 28 2HB LEU 28 -1.051 9.344 -2.111 259 2HB LEU 28 1HB LEU 28 -1.903 9.260 -0.581 260 HG LEU 28 HG LEU 28 -3.061 7.698 -2.817 261 1HD1 LEU 28 1HD1 LEU 28 -0.551 6.818 -1.397 262 2HD1 LEU 28 2HD1 LEU 28 -0.646 7.314 -3.087 263 3HD1 LEU 28 3HD1 LEU 28 -1.501 5.870 -2.542 264 1HD2 LEU 28 1HD2 LEU 28 -2.722 7.428 0.147 265 2HD2 LEU 28 2HD2 LEU 28 -3.170 6.042 -0.846 266 3HD2 LEU 28 3HD2 LEU 28 -4.205 7.470 -0.805 267 H SER 29 H SER 29 -3.733 12.576 -2.727 268 HA SER 29 HA SER 29 -3.602 13.715 -0.119 269 1HB SER 29 2HB SER 29 -1.374 14.323 -2.063 270 2HB SER 29 1HB SER 29 -1.787 15.392 -0.722 271 HG SER 29 HG SER 29 -0.343 13.120 -0.698 272 H SER 30 H SER 30 -2.790 15.196 -3.241 273 HA SER 30 HA SER 30 -4.505 17.366 -2.979 274 1HB SER 30 2HB SER 30 -2.972 16.130 -5.178 275 2HB SER 30 1HB SER 30 -4.339 17.123 -5.683 276 HG SER 30 HG SER 30 -2.306 17.962 -3.889 277 H SER 31 H SER 31 -5.056 14.272 -4.619 278 HA SER 31 HA SER 31 -7.533 14.800 -5.747 279 1HB SER 31 2HB SER 31 -6.048 12.376 -4.955 280 2HB SER 31 1HB SER 31 -7.793 12.172 -5.101 281 HG SER 31 HG SER 31 -5.951 12.378 -7.042 282 H TRP 32 H TRP 32 -6.713 14.137 -2.425 283 HA TRP 32 HA TRP 32 -9.519 13.828 -1.688 284 1HB TRP 32 2HB TRP 32 -7.069 13.739 0.079 285 2HB TRP 32 1HB TRP 32 -8.701 13.256 0.526 286 HD1 TRP 32 HD TRP 32 -5.715 12.100 -1.589 287 HE1 TRP 32 1HE TRP 32 -5.982 9.585 -2.070 288 HE3 TRP 32 3HE TRP 32 -10.402 11.399 0.328 289 HZ2 TRP 32 2HZ TRP 32 -7.922 7.571 -1.690 290 HZ3 TRP 32 3HZ TRP 32 -11.392 9.148 0.230 291 HH2 TRP 32 HH TRP 32 -10.177 7.275 -0.758 292 H ALA 33 H ALA 33 -7.567 16.382 -2.283 293 HA ALA 33 HA ALA 33 -7.702 18.101 -0.140 294 1HB ALA 33 1HB ALA 33 -8.156 19.030 -2.960 295 2HB ALA 33 2HB ALA 33 -6.587 18.456 -2.395 296 3HB ALA 33 3HB ALA 33 -7.331 19.868 -1.645 297 H ASP 34 H ASP 34 -10.026 18.160 -2.852 298 HA ASP 34 HA ASP 34 -11.919 19.648 -1.271 299 1HB ASP 34 2HB ASP 34 -13.377 19.389 -3.322 300 2HB ASP 34 1HB ASP 34 -11.835 20.200 -3.589 301 H GLY 35 H GLY 35 -11.127 16.439 -1.314 302 1HA GLY 35 2HA GLY 35 -12.147 14.627 -0.337 303 2HA GLY 35 1HA GLY 35 -13.460 15.693 0.140 304 H LEU 36 H LEU 36 -12.370 15.151 -3.163 305 HA LEU 36 HA LEU 36 -15.005 14.621 -4.071 306 1HB LEU 36 2HB LEU 36 -12.487 15.190 -5.224 307 2HB LEU 36 1HB LEU 36 -13.029 13.678 -5.929 308 HG LEU 36 HG LEU 36 -13.807 15.330 -7.394 309 1HD1 LEU 36 1HD1 LEU 36 -16.148 15.099 -7.368 310 2HD1 LEU 36 2HD1 LEU 36 -16.196 14.950 -5.612 311 3HD1 LEU 36 3HD1 LEU 36 -15.524 13.645 -6.591 312 1HD2 LEU 36 1HD2 LEU 36 -15.165 17.286 -6.534 313 2HD2 LEU 36 2HD2 LEU 36 -13.436 17.321 -6.193 314 3HD2 LEU 36 3HD2 LEU 36 -14.575 16.863 -4.927 315 H ALA 37 H ALA 37 -12.160 12.547 -3.598 316 HA ALA 37 HA ALA 37 -13.276 10.160 -4.528 317 1HB ALA 37 1HB ALA 37 -11.533 9.066 -3.075 318 2HB ALA 37 2HB ALA 37 -11.103 10.683 -2.516 319 3HB ALA 37 3HB ALA 37 -10.932 10.264 -4.221 320 H LEU 38 H LEU 38 -13.169 11.479 -1.227 321 HA LEU 38 HA LEU 38 -14.466 9.309 0.011 322 1HB LEU 38 2HB LEU 38 -13.224 11.540 0.901 323 2HB LEU 38 1HB LEU 38 -14.898 11.994 1.162 324 HG LEU 38 HG LEU 38 -15.167 9.833 2.450 325 1HD1 LEU 38 1HD1 LEU 38 -12.158 9.863 2.293 326 2HD1 LEU 38 2HD1 LEU 38 -13.227 8.660 1.572 327 3HD1 LEU 38 3HD1 LEU 38 -13.125 8.812 3.326 328 1HD2 LEU 38 1HD2 LEU 38 -13.567 10.835 4.348 329 2HD2 LEU 38 2HD2 LEU 38 -15.118 11.555 3.914 330 3HD2 LEU 38 3HD2 LEU 38 -13.624 12.218 3.256 331 H CYS 39 H CYS 39 -15.731 12.384 -1.241 332 HA CYS 39 HA CYS 39 -18.409 11.940 -0.472 333 1HB CYS 39 2HB CYS 39 -16.931 13.905 -2.003 334 2HB CYS 39 1HB CYS 39 -18.480 13.557 -2.758 335 HG CYS 39 HG CYS 39 -18.070 14.985 -0.075 336 H ALA 40 H ALA 40 -16.697 11.331 -3.521 337 HA ALA 40 HA ALA 40 -18.857 10.476 -5.052 338 1HB ALA 40 1HB ALA 40 -16.216 9.141 -5.384 339 2HB ALA 40 2HB ALA 40 -16.334 10.880 -5.647 340 3HB ALA 40 3HB ALA 40 -17.322 9.775 -6.603 341 H LEU 41 H LEU 41 -16.686 8.560 -2.986 342 HA LEU 41 HA LEU 41 -17.787 6.049 -3.530 343 1HB LEU 41 2HB LEU 41 -16.172 7.210 -1.319 344 2HB LEU 41 1HB LEU 41 -16.943 5.660 -1.035 345 HG LEU 41 HG LEU 41 -15.085 6.220 -3.346 346 1HD1 LEU 41 1HD1 LEU 41 -14.505 4.793 -0.755 347 2HD1 LEU 41 2HD1 LEU 41 -13.931 6.406 -1.181 348 3HD1 LEU 41 3HD1 LEU 41 -13.397 5.006 -2.111 349 1HD2 LEU 41 1HD2 LEU 41 -15.003 3.706 -3.384 350 2HD2 LEU 41 2HD2 LEU 41 -16.536 4.421 -3.881 351 3HD2 LEU 41 3HD2 LEU 41 -16.372 3.722 -2.271 352 H VAL 42 H VAL 42 -18.489 8.267 -0.831 353 HA VAL 42 HA VAL 42 -20.471 6.735 0.395 354 HB VAL 42 HB VAL 42 -20.409 9.752 0.302 355 1HG1 VAL 42 1HG1 VAL 42 -21.842 9.760 2.058 356 2HG1 VAL 42 2HG1 VAL 42 -21.225 8.241 2.711 357 3HG1 VAL 42 3HG1 VAL 42 -22.339 8.226 1.344 358 1HG2 VAL 42 1HG2 VAL 42 -19.203 8.504 2.632 359 2HG2 VAL 42 2HG2 VAL 42 -18.593 9.798 1.600 360 3HG2 VAL 42 3HG2 VAL 42 -18.345 8.114 1.142 361 H TYR 43 H TYR 43 -20.701 9.082 -2.235 362 HA TYR 43 HA TYR 43 -23.481 9.287 -2.386 363 1HB TYR 43 2HB TYR 43 -21.769 10.687 -3.613 364 2HB TYR 43 1HB TYR 43 -21.611 9.358 -4.756 365 HD1 TYR 43 1HD TYR 43 -24.445 11.198 -3.141 366 HD2 TYR 43 2HD TYR 43 -22.733 9.697 -6.735 367 HE1 TYR 43 1HE TYR 43 -26.358 12.075 -4.412 368 HE2 TYR 43 2HE TYR 43 -24.641 10.571 -8.016 369 HH TYR 43 HH TYR 43 -26.379 12.539 -7.619 370 H ARG 44 H ARG 44 -21.278 7.003 -3.984 371 HA ARG 44 HA ARG 44 -23.237 5.672 -5.501 372 1HB ARG 44 2HB ARG 44 -20.520 5.545 -5.336 373 2HB ARG 44 1HB ARG 44 -20.974 4.036 -4.556 374 1HG ARG 44 2HG ARG 44 -20.837 3.316 -6.703 375 2HG ARG 44 1HG ARG 44 -22.528 3.817 -6.681 376 1HD ARG 44 2HD ARG 44 -20.463 5.830 -7.413 377 2HD ARG 44 1HD ARG 44 -20.879 4.589 -8.596 378 HE ARG 44 HE ARG 44 -23.169 5.906 -7.474 379 1HH1 ARG 44 1HH1 ARG 44 -20.710 6.080 -9.945 380 2HH1 ARG 44 2HH1 ARG 44 -21.656 7.084 -10.991 381 1HH2 ARG 44 1HH2 ARG 44 -24.414 7.226 -8.849 382 2HH2 ARG 44 2HH2 ARG 44 -23.759 7.736 -10.369 383 H LEU 45 H LEU 45 -22.104 5.227 -2.204 384 HA LEU 45 HA LEU 45 -23.555 2.778 -1.805 385 1HB LEU 45 2HB LEU 45 -21.957 4.618 -0.078 386 2HB LEU 45 1HB LEU 45 -23.028 3.456 0.682 387 HG LEU 45 HG LEU 45 -20.695 2.658 0.511 388 1HD1 LEU 45 1HD1 LEU 45 -21.270 0.480 0.049 389 2HD1 LEU 45 2HD1 LEU 45 -22.314 0.929 -1.302 390 3HD1 LEU 45 3HD1 LEU 45 -22.851 1.200 0.356 391 1HD2 LEU 45 1HD2 LEU 45 -21.233 2.871 -2.444 392 2HD2 LEU 45 2HD2 LEU 45 -19.909 1.934 -1.751 393 3HD2 LEU 45 3HD2 LEU 45 -19.971 3.681 -1.517 394 H GLN 46 H GLN 46 -24.034 6.185 -1.003 395 HA GLN 46 HA GLN 46 -26.867 5.607 -0.519 396 1HB GLN 46 2HB GLN 46 -24.959 6.981 1.335 397 2HB GLN 46 1HB GLN 46 -26.646 7.472 1.314 398 1HG GLN 46 2HG GLN 46 -25.647 4.681 1.834 399 2HG GLN 46 1HG GLN 46 -26.177 5.830 3.061 400 1HE2 GLN 46 1HE2 GLN 46 -28.271 5.928 3.562 401 2HE2 GLN 46 2HE2 GLN 46 -29.533 5.091 2.730 402 HA PRO 47 HA PRO 47 -26.126 9.196 -3.418 403 1HB PRO 47 2HB PRO 47 -27.859 8.339 -5.330 404 2HB PRO 47 1HB PRO 47 -26.158 7.863 -5.286 405 1HG PRO 47 2HG PRO 47 -28.570 6.363 -4.341 406 2HG PRO 47 1HG PRO 47 -27.164 5.768 -5.244 407 1HD PRO 47 2HD PRO 47 -27.438 5.406 -2.576 408 2HD PRO 47 1HD PRO 47 -25.854 5.621 -3.350 409 H GLY 48 H GLY 48 -28.958 7.586 -2.141 410 1HA GLY 48 2HA GLY 48 -30.731 9.791 -2.725 411 2HA GLY 48 1HA GLY 48 -31.125 8.349 -1.804 412 H LEU 49 H LEU 49 -28.363 9.342 -0.417 413 HA LEU 49 HA LEU 49 -29.641 11.337 1.315 414 1HB LEU 49 2HB LEU 49 -28.710 8.639 2.055 415 2HB LEU 49 1HB LEU 49 -28.201 9.925 3.134 416 HG LEU 49 HG LEU 49 -31.055 9.271 2.400 417 1HD1 LEU 49 1HD1 LEU 49 -29.518 7.841 4.060 418 2HD1 LEU 49 2HD1 LEU 49 -31.245 8.099 4.321 419 3HD1 LEU 49 3HD1 LEU 49 -30.065 9.095 5.175 420 1HD2 LEU 49 1HD2 LEU 49 -29.809 11.462 4.009 421 2HD2 LEU 49 2HD2 LEU 49 -31.423 10.871 4.401 422 3HD2 LEU 49 3HD2 LEU 49 -31.095 11.551 2.807 423 H LEU 50 H LEU 50 -27.624 11.580 -0.772 424 HA LEU 50 HA LEU 50 -25.549 12.846 0.853 425 1HB LEU 50 2HB LEU 50 -25.163 10.578 -0.974 426 2HB LEU 50 1HB LEU 50 -24.062 11.914 -1.243 427 HG LEU 50 HG LEU 50 -23.002 10.355 0.229 428 1HD1 LEU 50 1HD1 LEU 50 -22.863 12.860 0.674 429 2HD1 LEU 50 2HD1 LEU 50 -22.373 11.780 1.979 430 3HD1 LEU 50 3HD1 LEU 50 -23.953 12.561 2.028 431 1HD2 LEU 50 1HD2 LEU 50 -24.037 9.173 1.815 432 2HD2 LEU 50 2HD2 LEU 50 -25.539 9.774 1.116 433 3HD2 LEU 50 3HD2 LEU 50 -24.816 10.601 2.494 434 H GLU 51 H GLU 51 -24.231 14.382 -0.383 435 HA GLU 51 HA GLU 51 -25.348 15.298 -2.911 436 1HB GLU 51 2HB GLU 51 -25.239 17.021 -0.428 437 2HB GLU 51 1HB GLU 51 -25.502 17.646 -2.049 438 1HG GLU 51 2HG GLU 51 -27.418 15.733 -1.911 439 2HG GLU 51 1HG GLU 51 -27.343 16.272 -0.233 440 HA PRO 52 HA PRO 52 -20.654 15.382 -2.362 441 1HB PRO 52 2HB PRO 52 -20.281 14.394 -4.928 442 2HB PRO 52 1HB PRO 52 -20.278 13.424 -3.452 443 1HG PRO 52 2HG PRO 52 -22.483 13.881 -5.414 444 2HG PRO 52 1HG PRO 52 -22.019 12.391 -4.574 445 1HD PRO 52 2HD PRO 52 -24.129 13.820 -3.775 446 2HD PRO 52 1HD PRO 52 -23.054 13.040 -2.594 447 H SER 53 H SER 53 -22.488 16.045 -5.355 448 HA SER 53 HA SER 53 -20.750 17.880 -6.479 449 1HB SER 53 2HB SER 53 -23.761 17.693 -6.641 450 2HB SER 53 1HB SER 53 -22.810 18.799 -7.629 451 HG SER 53 HG SER 53 -21.622 16.841 -8.290 452 H GLU 54 H GLU 54 -23.033 18.305 -3.873 453 HA GLU 54 HA GLU 54 -23.045 21.154 -3.919 454 1HB GLU 54 2HB GLU 54 -24.786 19.668 -2.846 455 2HB GLU 54 1HB GLU 54 -23.634 19.383 -1.548 456 1HG GLU 54 2HG GLU 54 -24.058 21.348 -0.588 457 2HG GLU 54 1HG GLU 54 -24.028 22.208 -2.127 458 H LEU 55 H LEU 55 -21.358 18.781 -1.867 459 HA LEU 55 HA LEU 55 -19.791 20.860 -0.610 460 1HB LEU 55 2HB LEU 55 -19.881 17.868 -0.328 461 2HB LEU 55 1HB LEU 55 -18.674 18.843 0.489 462 HG LEU 55 HG LEU 55 -20.443 18.385 2.036 463 1HD1 LEU 55 1HD1 LEU 55 -19.481 20.851 1.565 464 2HD1 LEU 55 2HD1 LEU 55 -20.602 20.473 2.872 465 3HD1 LEU 55 3HD1 LEU 55 -21.208 21.150 1.361 466 1HD2 LEU 55 1HD2 LEU 55 -22.148 17.951 0.224 467 2HD2 LEU 55 2HD2 LEU 55 -22.387 19.698 0.151 468 3HD2 LEU 55 3HD2 LEU 55 -22.735 18.821 1.642 469 H GLN 56 H GLN 56 -19.531 19.106 -3.462 470 HA GLN 56 HA GLN 56 -16.809 18.503 -3.592 471 1HB GLN 56 2HB GLN 56 -19.003 18.875 -5.537 472 2HB GLN 56 1HB GLN 56 -17.373 19.036 -6.179 473 1HG GLN 56 2HG GLN 56 -16.803 16.832 -5.510 474 2HG GLN 56 1HG GLN 56 -18.288 16.664 -4.578 475 1HE2 GLN 56 1HE2 GLN 56 -17.466 17.681 -7.881 476 2HE2 GLN 56 2HE2 GLN 56 -18.600 16.640 -8.665 477 H GLY 57 H GLY 57 -18.511 21.514 -4.277 478 1HA GLY 57 2HA GLY 57 -15.876 22.769 -4.750 479 2HA GLY 57 1HA GLY 57 -17.367 23.327 -5.493 480 H LEU 58 H LEU 58 -18.826 22.914 -2.904 481 HA LEU 58 HA LEU 58 -18.815 25.487 -1.944 482 1HB LEU 58 2HB LEU 58 -19.871 22.924 -1.080 483 2HB LEU 58 1HB LEU 58 -19.470 23.957 0.280 484 HG LEU 58 HG LEU 58 -20.829 25.765 -0.884 485 1HD1 LEU 58 1HD1 LEU 58 -22.428 23.725 -2.243 486 2HD1 LEU 58 2HD1 LEU 58 -20.856 24.037 -2.979 487 3HD1 LEU 58 3HD1 LEU 58 -21.998 25.359 -2.748 488 1HD2 LEU 58 1HD2 LEU 58 -22.595 25.212 0.415 489 2HD2 LEU 58 2HD2 LEU 58 -21.487 23.969 1.000 490 3HD2 LEU 58 3HD2 LEU 58 -22.690 23.572 -0.226 491 H GLY 59 H GLY 59 -16.757 22.802 -0.987 492 1HA GLY 59 2HA GLY 59 -14.652 24.366 -0.095 493 2HA GLY 59 1HA GLY 59 -15.660 24.075 1.314 494 H ALA 60 H ALA 60 -12.923 23.206 0.756 495 HA ALA 60 HA ALA 60 -13.011 20.382 0.234 496 1HB ALA 60 1HB ALA 60 -10.971 21.168 -0.393 497 2HB ALA 60 2HB ALA 60 -10.575 20.674 1.252 498 3HB ALA 60 3HB ALA 60 -10.911 22.369 0.898 499 H LEU 61 H LEU 61 -12.135 22.289 3.126 500 HA LEU 61 HA LEU 61 -12.002 20.137 4.901 501 1HB LEU 61 2HB LEU 61 -12.646 23.045 5.370 502 2HB LEU 61 1HB LEU 61 -12.416 21.893 6.669 503 HG LEU 61 HG LEU 61 -10.325 22.588 4.605 504 1HD1 LEU 61 1HD1 LEU 61 -11.142 24.270 6.518 505 2HD1 LEU 61 2HD1 LEU 61 -9.463 24.150 5.994 506 3HD1 LEU 61 3HD1 LEU 61 -9.995 23.309 7.451 507 1HD2 LEU 61 1HD2 LEU 61 -8.951 21.492 6.594 508 2HD2 LEU 61 2HD2 LEU 61 -9.641 20.529 5.288 509 3HD2 LEU 61 3HD2 LEU 61 -10.475 20.641 6.839 510 H GLU 62 H GLU 62 -14.730 22.124 3.891 511 HA GLU 62 HA GLU 62 -16.579 21.126 5.791 512 1HB GLU 62 2HB GLU 62 -16.653 23.195 4.110 513 2HB GLU 62 1HB GLU 62 -17.535 22.037 3.124 514 1HG GLU 62 2HG GLU 62 -18.633 21.849 5.692 515 2HG GLU 62 1HG GLU 62 -18.427 23.571 5.374 516 H ALA 63 H ALA 63 -15.760 20.185 2.482 517 HA ALA 63 HA ALA 63 -17.775 18.242 2.160 518 1HB ALA 63 1HB ALA 63 -16.310 19.278 0.363 519 2HB ALA 63 2HB ALA 63 -16.618 17.547 0.229 520 3HB ALA 63 3HB ALA 63 -15.071 18.121 0.852 521 H THR 64 H THR 64 -14.451 18.025 3.360 522 HA THR 64 HA THR 64 -14.422 15.213 3.667 523 HB THR 64 HB THR 64 -12.801 17.138 5.323 524 HG1 THR 64 1HG THR 64 -12.383 17.906 3.359 525 1HG2 THR 64 1HG2 THR 64 -12.400 14.868 5.919 526 2HG2 THR 64 2HG2 THR 64 -11.028 15.436 4.966 527 3HG2 THR 64 3HG2 THR 64 -12.244 14.395 4.227 528 H ALA 65 H ALA 65 -14.949 17.840 6.011 529 HA ALA 65 HA ALA 65 -15.445 16.174 8.225 530 1HB ALA 65 1HB ALA 65 -16.003 18.094 9.384 531 2HB ALA 65 2HB ALA 65 -16.724 18.864 7.970 532 3HB ALA 65 3HB ALA 65 -14.970 18.727 8.102 533 H TRP 66 H TRP 66 -17.627 17.669 5.864 534 HA TRP 66 HA TRP 66 -20.026 16.767 7.069 535 1HB TRP 66 2HB TRP 66 -19.737 18.617 5.321 536 2HB TRP 66 1HB TRP 66 -19.679 17.324 4.126 537 HD1 TRP 66 HD TRP 66 -22.092 18.851 6.722 538 HE1 TRP 66 1HE TRP 66 -24.501 18.324 5.985 539 HE3 TRP 66 3HE TRP 66 -21.078 15.830 2.723 540 HZ2 TRP 66 2HZ TRP 66 -25.799 16.827 3.976 541 HZ3 TRP 66 3HZ TRP 66 -22.960 14.892 1.447 542 HH2 TRP 66 HH TRP 66 -25.272 15.380 2.061 543 H ALA 67 H ALA 67 -17.937 15.435 4.549 544 HA ALA 67 HA ALA 67 -19.612 13.250 3.878 545 1HB ALA 67 1HB ALA 67 -17.933 13.945 2.327 546 2HB ALA 67 2HB ALA 67 -17.541 12.306 2.848 547 3HB ALA 67 3HB ALA 67 -16.653 13.679 3.509 548 H LEU 68 H LEU 68 -16.981 13.659 6.198 549 HA LEU 68 HA LEU 68 -16.749 10.947 6.941 550 1HB LEU 68 2HB LEU 68 -16.073 13.506 8.379 551 2HB LEU 68 1HB LEU 68 -15.739 11.924 9.058 552 HG LEU 68 HG LEU 68 -14.688 12.615 6.342 553 1HD1 LEU 68 1HD1 LEU 68 -13.925 14.487 7.546 554 2HD1 LEU 68 2HD1 LEU 68 -12.582 13.345 7.550 555 3HD1 LEU 68 3HD1 LEU 68 -13.591 13.525 8.986 556 1HD2 LEU 68 1HD2 LEU 68 -14.475 10.326 7.050 557 2HD2 LEU 68 2HD2 LEU 68 -13.770 10.826 8.587 558 3HD2 LEU 68 3HD2 LEU 68 -12.883 11.087 7.083 559 H LYS 69 H LYS 69 -18.666 13.615 8.269 560 HA LYS 69 HA LYS 69 -19.739 12.138 10.439 561 1HB LYS 69 2HB LYS 69 -19.654 14.655 10.218 562 2HB LYS 69 1HB LYS 69 -21.004 14.528 9.098 563 1HG LYS 69 2HG LYS 69 -22.498 14.035 10.733 564 2HG LYS 69 1HG LYS 69 -21.299 13.224 11.742 565 1HD LYS 69 2HD LYS 69 -21.934 15.248 12.844 566 2HD LYS 69 1HD LYS 69 -20.298 15.467 12.215 567 1HE LYS 69 2HE LYS 69 -20.934 17.059 10.750 568 2HE LYS 69 1HE LYS 69 -22.469 16.265 10.396 569 1HZ LYS 69 1HZ LYS 69 -21.911 17.778 12.888 570 2HZ LYS 69 2HZ LYS 69 -23.399 17.141 12.400 571 3HZ LYS 69 3HZ LYS 69 -22.707 18.423 11.542 572 H VAL 70 H VAL 70 -21.051 12.977 7.240 573 HA VAL 70 HA VAL 70 -23.504 11.601 7.608 574 HB VAL 70 HB VAL 70 -23.230 13.378 5.927 575 1HG1 VAL 70 1HG1 VAL 70 -20.891 12.425 5.277 576 2HG1 VAL 70 2HG1 VAL 70 -21.882 13.237 4.065 577 3HG1 VAL 70 3HG1 VAL 70 -21.817 11.475 4.115 578 1HG2 VAL 70 1HG2 VAL 70 -24.107 11.790 3.932 579 2HG2 VAL 70 2HG2 VAL 70 -25.100 12.283 5.304 580 3HG2 VAL 70 3HG2 VAL 70 -24.308 10.707 5.310 581 H ALA 71 H ALA 71 -20.410 10.692 6.150 582 HA ALA 71 HA ALA 71 -21.141 8.259 5.015 583 1HB ALA 71 1HB ALA 71 -18.524 9.055 6.290 584 2HB ALA 71 2HB ALA 71 -18.972 9.227 4.593 585 3HB ALA 71 3HB ALA 71 -18.760 7.621 5.291 586 H GLU 72 H GLU 72 -20.083 9.004 8.307 587 HA GLU 72 HA GLU 72 -20.216 6.324 9.247 588 1HB GLU 72 2HB GLU 72 -18.866 8.104 10.332 589 2HB GLU 72 1HB GLU 72 -20.354 8.899 10.828 590 1HG GLU 72 2HG GLU 72 -20.411 6.163 11.659 591 2HG GLU 72 1HG GLU 72 -18.908 6.917 12.191 592 H ASN 73 H ASN 73 -22.461 9.034 9.172 593 HA ASN 73 HA ASN 73 -24.441 7.833 10.812 594 1HB ASN 73 2HB ASN 73 -24.148 10.270 9.245 595 2HB ASN 73 1HB ASN 73 -25.785 9.624 9.176 596 1HD2 ASN 73 1HD2 ASN 73 -26.780 11.114 10.422 597 2HD2 ASN 73 2HD2 ASN 73 -26.439 11.358 12.099 598 H GLU 74 H GLU 74 -23.937 7.970 7.319 599 HA GLU 74 HA GLU 74 -26.367 6.540 6.745 600 1HB GLU 74 2HB GLU 74 -24.274 7.907 5.226 601 2HB GLU 74 1HB GLU 74 -24.867 6.451 4.439 602 1HG GLU 74 2HG GLU 74 -26.123 8.334 3.663 603 2HG GLU 74 1HG GLU 74 -27.168 7.313 4.649 604 H LEU 75 H LEU 75 -22.902 5.760 6.753 605 HA LEU 75 HA LEU 75 -23.559 2.974 6.128 606 1HB LEU 75 2HB LEU 75 -20.913 4.415 6.188 607 2HB LEU 75 1HB LEU 75 -21.111 2.716 5.803 608 HG LEU 75 HG LEU 75 -22.794 3.757 3.991 609 1HD1 LEU 75 1HD1 LEU 75 -22.188 6.066 4.847 610 2HD1 LEU 75 2HD1 LEU 75 -22.063 5.808 3.107 611 3HD1 LEU 75 3HD1 LEU 75 -20.608 5.813 4.106 612 1HD2 LEU 75 1HD2 LEU 75 -19.955 3.907 3.200 613 2HD2 LEU 75 2HD2 LEU 75 -21.292 3.015 2.475 614 3HD2 LEU 75 3HD2 LEU 75 -20.491 2.386 3.915 615 H GLY 76 H GLY 76 -21.793 4.878 8.564 616 1HA GLY 76 2HA GLY 76 -22.030 4.226 10.903 617 2HA GLY 76 1HA GLY 76 -22.061 2.555 10.368 618 H ILE 77 H ILE 77 -19.775 4.498 8.745 619 HA ILE 77 HA ILE 77 -17.609 3.062 10.029 620 HB ILE 77 HB ILE 77 -17.405 5.117 7.830 621 1HG1 ILE 77 2HG1 ILE 77 -17.473 2.131 7.427 622 2HG1 ILE 77 1HG1 ILE 77 -18.943 3.099 7.386 623 1HG2 ILE 77 1HG2 ILE 77 -15.303 3.933 7.319 624 2HG2 ILE 77 2HG2 ILE 77 -15.556 2.916 8.738 625 3HG2 ILE 77 3HG2 ILE 77 -15.304 4.652 8.930 626 1HD1 ILE 77 1HD1 ILE 77 -18.423 4.051 5.397 627 2HD1 ILE 77 2HD1 ILE 77 -17.564 2.523 5.206 628 3HD1 ILE 77 3HD1 ILE 77 -16.684 3.975 5.686 629 H THR 78 H THR 78 -16.696 3.828 11.813 630 HA THR 78 HA THR 78 -17.001 6.539 12.655 631 HB THR 78 HB THR 78 -15.108 4.493 13.809 632 HG1 THR 78 1HG THR 78 -17.035 3.471 13.837 633 1HG2 THR 78 1HG2 THR 78 -15.507 5.606 15.913 634 2HG2 THR 78 2HG2 THR 78 -16.601 6.745 15.128 635 3HG2 THR 78 3HG2 THR 78 -14.885 6.750 14.725 636 HA PRO 79 HA PRO 79 -13.598 8.345 10.417 637 1HB PRO 79 2HB PRO 79 -13.545 10.195 12.745 638 2HB PRO 79 1HB PRO 79 -13.638 10.561 11.019 639 1HG PRO 79 2HG PRO 79 -15.785 10.798 12.572 640 2HG PRO 79 1HG PRO 79 -15.920 10.164 10.920 641 1HD PRO 79 2HD PRO 79 -15.982 8.701 13.525 642 2HD PRO 79 1HD PRO 79 -16.905 8.402 12.038 643 H VAL 80 H VAL 80 -11.442 8.050 10.444 644 HA VAL 80 HA VAL 80 -10.202 7.264 13.000 645 HB VAL 80 HB VAL 80 -9.297 6.379 10.262 646 1HG1 VAL 80 1HG1 VAL 80 -8.604 4.678 12.484 647 2HG1 VAL 80 2HG1 VAL 80 -8.028 6.324 12.747 648 3HG1 VAL 80 3HG1 VAL 80 -7.560 5.447 11.289 649 1HG2 VAL 80 1HG2 VAL 80 -10.265 4.133 11.126 650 2HG2 VAL 80 2HG2 VAL 80 -11.355 5.325 10.419 651 3HG2 VAL 80 3HG2 VAL 80 -11.250 5.157 12.171 652 H VAL 81 H VAL 81 -10.080 9.412 10.316 653 HA VAL 81 HA VAL 81 -7.587 10.557 11.374 654 HB VAL 81 HB VAL 81 -8.264 10.476 8.434 655 1HG1 VAL 81 1HG1 VAL 81 -5.929 11.459 10.035 656 2HG1 VAL 81 2HG1 VAL 81 -6.857 12.299 8.792 657 3HG1 VAL 81 3HG1 VAL 81 -5.748 11.005 8.341 658 1HG2 VAL 81 1HG2 VAL 81 -6.163 8.895 8.505 659 2HG2 VAL 81 2HG2 VAL 81 -7.788 8.259 8.761 660 3HG2 VAL 81 3HG2 VAL 81 -6.737 8.574 10.142 661 H SER 82 H SER 82 -7.310 12.855 10.880 662 HA SER 82 HA SER 82 -9.825 14.260 11.138 663 1HB SER 82 2HB SER 82 -7.396 14.683 12.254 664 2HB SER 82 1HB SER 82 -7.313 15.808 10.901 665 HG SER 82 HG SER 82 -9.364 16.637 11.655 666 H ALA 83 H ALA 83 -10.357 16.141 9.840 667 HA ALA 83 HA ALA 83 -10.253 15.603 7.072 668 1HB ALA 83 1HB ALA 83 -11.054 18.159 7.097 669 2HB ALA 83 2HB ALA 83 -11.348 17.745 8.787 670 3HB ALA 83 3HB ALA 83 -12.116 16.811 7.503 671 H GLN 84 H GLN 84 -8.538 17.955 9.099 672 HA GLN 84 HA GLN 84 -7.226 19.378 7.108 673 1HB GLN 84 2HB GLN 84 -5.525 19.891 8.850 674 2HB GLN 84 1HB GLN 84 -7.179 20.133 9.395 675 1HG GLN 84 2HG GLN 84 -6.854 17.634 10.228 676 2HG GLN 84 1HG GLN 84 -5.167 18.142 10.251 677 1HE2 GLN 84 1HE2 GLN 84 -8.306 18.552 11.651 678 2HE2 GLN 84 2HE2 GLN 84 -7.809 19.509 13.000 679 H ALA 85 H ALA 85 -6.195 16.420 8.784 680 HA ALA 85 HA ALA 85 -3.698 16.169 7.518 681 1HB ALA 85 1HB ALA 85 -4.358 14.949 9.562 682 2HB ALA 85 2HB ALA 85 -3.697 13.891 8.316 683 3HB ALA 85 3HB ALA 85 -5.439 13.951 8.589 684 H VAL 86 H VAL 86 -6.917 15.029 6.628 685 HA VAL 86 HA VAL 86 -6.079 13.433 4.434 686 HB VAL 86 HB VAL 86 -8.780 14.732 4.813 687 1HG1 VAL 86 1HG1 VAL 86 -7.694 13.055 2.775 688 2HG1 VAL 86 2HG1 VAL 86 -9.320 13.723 2.912 689 3HG1 VAL 86 3HG1 VAL 86 -8.944 12.164 3.645 690 1HG2 VAL 86 1HG2 VAL 86 -8.457 11.924 5.589 691 2HG2 VAL 86 2HG2 VAL 86 -9.338 13.228 6.383 692 3HG2 VAL 86 3HG2 VAL 86 -7.597 13.068 6.617 693 H VAL 87 H VAL 87 -7.492 16.703 4.601 694 HA VAL 87 HA VAL 87 -7.384 17.230 1.843 695 HB VAL 87 HB VAL 87 -7.190 19.278 4.054 696 1HG1 VAL 87 1HG1 VAL 87 -8.233 19.462 1.229 697 2HG1 VAL 87 2HG1 VAL 87 -6.732 20.161 1.834 698 3HG1 VAL 87 3HG1 VAL 87 -8.283 20.753 2.428 699 1HG2 VAL 87 1HG2 VAL 87 -9.827 19.157 3.196 700 2HG2 VAL 87 2HG2 VAL 87 -9.190 18.562 4.728 701 3HG2 VAL 87 3HG2 VAL 87 -9.342 17.468 3.353 702 H ALA 88 H ALA 88 -5.014 17.627 4.405 703 HA ALA 88 HA ALA 88 -3.162 19.040 2.689 704 1HB ALA 88 1HB ALA 88 -1.632 18.784 4.698 705 2HB ALA 88 2HB ALA 88 -3.014 18.069 5.527 706 3HB ALA 88 3HB ALA 88 -3.101 19.729 4.938 707 H GLY 89 H GLY 89 -3.949 15.789 3.281 708 1HA GLY 89 2HA GLY 89 -2.972 13.810 2.658 709 2HA GLY 89 1HA GLY 89 -2.112 14.760 1.455 710 H SER 90 H SER 90 -1.819 15.217 4.925 711 HA SER 90 HA SER 90 1.014 14.480 4.706 712 1HB SER 90 2HB SER 90 -0.046 16.766 5.684 713 2HB SER 90 1HB SER 90 0.031 15.811 7.165 714 HG SER 90 HG SER 90 1.956 17.116 6.514 715 H ASP 91 H ASP 91 -0.893 12.412 4.873 716 HA ASP 91 HA ASP 91 0.139 10.977 7.119 717 1HB ASP 91 2HB ASP 91 -1.932 12.457 7.882 718 2HB ASP 91 1HB ASP 91 -2.841 11.121 7.185 719 HA PRO 92 HA PRO 92 -1.031 8.538 3.309 720 1HB PRO 92 2HB PRO 92 1.255 7.015 3.412 721 2HB PRO 92 1HB PRO 92 1.103 8.518 2.497 722 1HG PRO 92 2HG PRO 92 2.303 8.056 5.197 723 2HG PRO 92 1HG PRO 92 2.886 9.079 3.871 724 1HD PRO 92 2HD PRO 92 1.612 10.115 5.997 725 2HD PRO 92 1HD PRO 92 1.397 10.784 4.366 726 H LEU 93 H LEU 93 0.524 7.419 6.308 727 HA LEU 93 HA LEU 93 -0.367 4.769 6.217 728 1HB LEU 93 2HB LEU 93 0.700 6.590 8.275 729 2HB LEU 93 1HB LEU 93 -0.255 5.254 8.887 730 HG LEU 93 HG LEU 93 1.228 3.671 7.699 731 1HD1 LEU 93 1HD1 LEU 93 2.387 6.208 6.710 732 2HD1 LEU 93 2HD1 LEU 93 2.226 4.643 5.911 733 3HD1 LEU 93 3HD1 LEU 93 3.511 4.902 7.093 734 1HD2 LEU 93 1HD2 LEU 93 2.676 3.600 9.426 735 2HD2 LEU 93 2HD2 LEU 93 1.636 4.870 10.073 736 3HD2 LEU 93 3HD2 LEU 93 3.138 5.293 9.251 737 H GLY 94 H GLY 94 -1.877 7.668 7.571 738 1HA GLY 94 2HA GLY 94 -4.103 6.292 8.708 739 2HA GLY 94 1HA GLY 94 -3.984 8.023 8.432 740 H LEU 95 H LEU 95 -3.570 7.954 5.632 741 HA LEU 95 HA LEU 95 -6.212 7.919 4.711 742 1HB LEU 95 2HB LEU 95 -3.985 8.993 3.762 743 2HB LEU 95 1HB LEU 95 -3.965 7.534 2.790 744 HG LEU 95 HG LEU 95 -5.000 9.261 1.506 745 1HD1 LEU 95 1HD1 LEU 95 -6.884 8.143 0.815 746 2HD1 LEU 95 2HD1 LEU 95 -7.388 7.754 2.459 747 3HD1 LEU 95 3HD1 LEU 95 -6.051 6.877 1.718 748 1HD2 LEU 95 1HD2 LEU 95 -7.175 10.272 2.396 749 2HD2 LEU 95 2HD2 LEU 95 -5.659 10.876 3.062 750 3HD2 LEU 95 3HD2 LEU 95 -6.630 9.725 3.980 751 H ILE 96 H ILE 96 -3.624 5.522 4.407 752 HA ILE 96 HA ILE 96 -5.063 3.735 2.745 753 HB ILE 96 HB ILE 96 -2.823 3.051 4.651 754 1HG1 ILE 96 2HG1 ILE 96 -2.421 3.596 1.734 755 2HG1 ILE 96 1HG1 ILE 96 -2.518 4.951 2.854 756 1HG2 ILE 96 1HG2 ILE 96 -4.028 1.662 2.280 757 2HG2 ILE 96 2HG2 ILE 96 -3.780 1.043 3.913 758 3HG2 ILE 96 3HG2 ILE 96 -2.399 1.297 2.844 759 1HD1 ILE 96 1HD1 ILE 96 -0.512 2.718 2.835 760 2HD1 ILE 96 2HD1 ILE 96 -0.685 3.859 4.170 761 3HD1 ILE 96 3HD1 ILE 96 -0.230 4.437 2.566 762 H ALA 97 H ALA 97 -4.656 3.980 6.250 763 HA ALA 97 HA ALA 97 -5.892 1.596 6.999 764 1HB ALA 97 1HB ALA 97 -5.305 4.174 8.314 765 2HB ALA 97 2HB ALA 97 -4.930 2.527 8.821 766 3HB ALA 97 3HB ALA 97 -6.551 3.177 9.065 767 H TYR 98 H TYR 98 -7.297 4.810 6.452 768 HA TYR 98 HA TYR 98 -9.947 4.105 7.132 769 1HB TYR 98 2HB TYR 98 -8.789 6.452 6.736 770 2HB TYR 98 1HB TYR 98 -9.408 6.230 5.102 771 HD1 TYR 98 1HD TYR 98 -10.764 5.613 8.537 772 HD2 TYR 98 2HD TYR 98 -11.336 7.428 4.732 773 HE1 TYR 98 1HE TYR 98 -12.964 6.433 9.266 774 HE2 TYR 98 2HE TYR 98 -13.537 8.254 5.449 775 HH TYR 98 HH TYR 98 -14.530 8.299 8.651 776 H LEU 99 H LEU 99 -8.196 4.148 4.059 777 HA LEU 99 HA LEU 99 -10.337 3.583 2.357 778 1HB LEU 99 2HB LEU 99 -7.659 4.009 2.042 779 2HB LEU 99 1HB LEU 99 -7.784 2.304 1.654 780 HG LEU 99 HG LEU 99 -9.453 2.816 -0.075 781 1HD1 LEU 99 1HD1 LEU 99 -9.257 5.493 1.140 782 2HD1 LEU 99 2HD1 LEU 99 -10.616 4.700 0.343 783 3HD1 LEU 99 3HD1 LEU 99 -9.343 5.446 -0.621 784 1HD2 LEU 99 1HD2 LEU 99 -7.464 2.714 -1.149 785 2HD2 LEU 99 2HD2 LEU 99 -6.709 3.908 -0.095 786 3HD2 LEU 99 3HD2 LEU 99 -7.774 4.432 -1.399 787 H SER 100 H SER 100 -8.410 1.491 4.397 788 HA SER 100 HA SER 100 -9.132 -0.984 3.282 789 1HB SER 100 2HB SER 100 -7.312 -0.507 5.014 790 2HB SER 100 1HB SER 100 -8.601 -0.529 6.218 791 HG SER 100 HG SER 100 -9.114 -2.673 5.262 792 H HIS 101 H HIS 101 -10.606 0.917 5.893 793 HA HIS 101 HA HIS 101 -12.627 -0.922 6.553 794 1HB HIS 101 2HB HIS 101 -11.851 1.209 7.805 795 2HB HIS 101 1HB HIS 101 -12.991 2.057 6.765 796 HD1 HIS 101 1HD HIS 101 -15.120 -0.368 6.893 797 HD2 HIS 101 2HD HIS 101 -13.389 1.641 10.093 798 HE1 HIS 101 1HE HIS 101 -16.706 -0.679 8.820 799 HE2 HIS 101 2HE HIS 101 -15.683 0.621 10.718 800 H PHE 102 H PHE 102 -12.601 1.817 4.300 801 HA PHE 102 HA PHE 102 -15.304 1.570 3.503 802 1HB PHE 102 2HB PHE 102 -12.892 2.918 2.323 803 2HB PHE 102 1HB PHE 102 -14.411 2.861 1.432 804 HD1 PHE 102 1HD PHE 102 -13.587 3.427 5.027 805 HD2 PHE 102 2HD PHE 102 -15.427 4.915 1.490 806 HE1 PHE 102 1HE PHE 102 -14.383 5.394 6.273 807 HE2 PHE 102 2HE PHE 102 -16.226 6.884 2.729 808 HZ PHE 102 HZ PHE 102 -15.705 7.126 5.124 809 H HIS 103 H HIS 103 -12.276 0.369 2.102 810 HA HIS 103 HA HIS 103 -13.425 -0.836 -0.170 811 1HB HIS 103 2HB HIS 103 -11.025 -0.365 0.005 812 2HB HIS 103 1HB HIS 103 -10.876 -1.551 1.297 813 HD1 HIS 103 1HD HIS 103 -9.039 -2.393 -0.623 814 HD2 HIS 103 2HD HIS 103 -13.075 -3.082 -1.326 815 HE1 HIS 103 1HE HIS 103 -9.119 -4.214 -2.356 816 HE2 HIS 103 2HE HIS 103 -11.572 -4.680 -2.695 817 H SER 104 H SER 104 -12.442 -2.239 2.953 818 HA SER 104 HA SER 104 -13.299 -4.855 2.414 819 1HB SER 104 2HB SER 104 -11.890 -3.786 4.410 820 2HB SER 104 1HB SER 104 -13.462 -3.830 5.208 821 HG SER 104 HG SER 104 -12.773 -5.804 5.628 822 H ALA 105 H ALA 105 -15.033 -2.019 3.460 823 HA ALA 105 HA ALA 105 -17.382 -3.441 4.302 824 1HB ALA 105 1HB ALA 105 -18.399 -1.222 4.489 825 2HB ALA 105 2HB ALA 105 -16.988 -0.513 3.705 826 3HB ALA 105 3HB ALA 105 -16.825 -1.286 5.283 827 H PHE 106 H PHE 106 -16.336 -1.761 1.382 828 HA PHE 106 HA PHE 106 -18.892 -2.062 0.086 829 1HB PHE 106 2HB PHE 106 -16.237 -1.284 -1.136 830 2HB PHE 106 1HB PHE 106 -17.830 -1.041 -1.840 831 HD1 PHE 106 1HD PHE 106 -19.133 -0.153 0.824 832 HD2 PHE 106 2HD PHE 106 -15.583 1.008 -1.218 833 HE1 PHE 106 1HE PHE 106 -19.257 2.065 1.877 834 HE2 PHE 106 2HE PHE 106 -15.701 3.228 -0.166 835 HZ PHE 106 HZ PHE 106 -17.540 3.760 1.383 836 H LYS 107 H LYS 107 -15.773 -3.695 0.038 837 HA LYS 107 HA LYS 107 -16.149 -5.301 -2.214 838 1HB LYS 107 2HB LYS 107 -14.085 -4.966 -0.604 839 2HB LYS 107 1HB LYS 107 -14.735 -6.401 0.177 840 1HG LYS 107 2HG LYS 107 -14.761 -7.157 -2.432 841 2HG LYS 107 1HG LYS 107 -13.340 -6.111 -2.381 842 1HD LYS 107 2HD LYS 107 -12.595 -7.428 -0.360 843 2HD LYS 107 1HD LYS 107 -13.891 -8.567 -0.728 844 1HE LYS 107 2HE LYS 107 -12.130 -9.551 -1.822 845 2HE LYS 107 1HE LYS 107 -12.808 -8.558 -3.111 846 1HZ LYS 107 1HZ LYS 107 -10.455 -7.912 -1.422 847 2HZ LYS 107 2HZ LYS 107 -11.152 -6.839 -2.529 848 3HZ LYS 107 3HZ LYS 107 -10.450 -8.280 -3.074 849 H SER 108 H SER 108 -17.251 -5.696 1.100 850 HA SER 108 HA SER 108 -18.117 -8.374 0.888 851 1HB SER 108 2HB SER 108 -19.190 -6.185 2.686 852 2HB SER 108 1HB SER 108 -19.419 -7.919 2.912 853 HG SER 108 HG SER 108 -17.644 -6.833 4.115 854 H MET 109 H MET 109 -19.573 -5.327 -0.007 855 HA MET 109 HA MET 109 -22.197 -6.438 -0.424 856 1HB MET 109 2HB MET 109 -21.420 -3.949 0.086 857 2HB MET 109 1HB MET 109 -21.371 -3.858 -1.669 858 1HG MET 109 2HG MET 109 -23.501 -3.155 -1.269 859 2HG MET 109 1HG MET 109 -23.768 -4.883 -1.492 860 1HE MET 109 1HE MET 109 -23.393 -1.953 0.970 861 2HE MET 109 2HE MET 109 -22.237 -3.042 1.737 862 3HE MET 109 3HE MET 109 -23.759 -2.661 2.543 Start of MODEL 8 1 1H MET -8 1HT MET -8 -0.083 -4.532 15.215 2 2H MET -8 2HT MET -8 1.409 -4.559 16.063 3 3H MET -8 3HT MET -8 -0.053 -4.244 16.905 4 HA MET -8 HA MET -8 0.416 -6.405 17.409 5 1HB MET -8 2HB MET -8 -1.842 -5.710 16.090 6 2HB MET -8 1HB MET -8 -1.265 -6.998 15.042 7 1HG MET -8 2HG MET -8 -0.993 -8.169 17.459 8 2HG MET -8 1HG MET -8 -2.377 -7.117 17.757 9 1HE MET -8 1HE MET -8 -5.002 -7.779 16.479 10 2HE MET -8 2HE MET -8 -4.684 -8.113 14.776 11 3HE MET -8 3HE MET -8 -3.899 -6.747 15.568 12 H GLY -7 H GLY -7 0.619 -6.053 13.866 13 1HA GLY -7 2HA GLY -7 2.927 -6.842 13.070 14 2HA GLY -7 1HA GLY -7 2.453 -8.358 13.823 15 H HIS -6 H HIS -6 2.986 -8.973 11.487 16 HA HIS -6 HA HIS -6 0.486 -9.402 10.131 17 1HB HIS -6 2HB HIS -6 1.218 -7.157 9.295 18 2HB HIS -6 1HB HIS -6 2.666 -7.921 8.649 19 HD1 HIS -6 1HD HIS -6 -0.834 -7.210 7.863 20 HD2 HIS -6 2HD HIS -6 2.107 -9.824 6.527 21 HE1 HIS -6 1HE HIS -6 -1.655 -8.070 5.647 22 HE2 HIS -6 2HE HIS -6 0.103 -9.712 4.897 23 H HIS -5 H HIS -5 0.688 -11.557 10.032 24 HA HIS -5 HA HIS -5 3.093 -12.973 9.755 25 1HB HIS -5 2HB HIS -5 0.243 -13.790 9.169 26 2HB HIS -5 1HB HIS -5 1.604 -14.909 9.150 27 HD1 HIS -5 1HD HIS -5 -0.775 -13.241 11.404 28 HD2 HIS -5 2HD HIS -5 2.809 -15.320 11.736 29 HE1 HIS -5 1HE HIS -5 -0.570 -13.847 13.837 30 HE2 HIS -5 2HE HIS -5 1.566 -15.174 13.998 31 H HIS -4 H HIS -4 3.711 -14.383 7.941 32 HA HIS -4 HA HIS -4 4.378 -14.684 5.788 33 1HB HIS -4 2HB HIS -4 1.638 -14.541 5.703 34 2HB HIS -4 1HB HIS -4 2.105 -13.313 4.531 35 HD1 HIS -4 1HD HIS -4 2.556 -17.005 5.224 36 HD2 HIS -4 2HD HIS -4 2.932 -14.284 2.105 37 HE1 HIS -4 1HE HIS -4 2.980 -18.391 3.169 38 HE2 HIS -4 2HE HIS -4 3.286 -16.719 1.310 39 H HIS -3 H HIS -3 4.242 -13.254 3.500 40 HA HIS -3 HA HIS -3 5.131 -11.477 2.396 41 1HB HIS -3 2HB HIS -3 3.242 -10.338 3.767 42 2HB HIS -3 1HB HIS -3 4.555 -9.717 4.762 43 HD1 HIS -3 1HD HIS -3 6.209 -8.038 3.614 44 HD2 HIS -3 2HD HIS -3 2.924 -9.108 1.306 45 HE1 HIS -3 1HE HIS -3 6.128 -6.362 1.741 46 HE2 HIS -3 2HE HIS -3 4.192 -7.089 0.303 47 H HIS -2 H HIS -2 7.137 -10.603 2.117 48 HA HIS -2 HA HIS -2 8.906 -10.423 4.450 49 1HB HIS -2 2HB HIS -2 9.309 -12.097 1.996 50 2HB HIS -2 1HB HIS -2 10.706 -11.417 2.827 51 HD1 HIS -2 1HD HIS -2 11.381 -12.467 5.049 52 HD2 HIS -2 2HD HIS -2 7.890 -14.066 3.461 53 HE1 HIS -2 1HE HIS -2 10.889 -14.513 6.428 54 HE2 HIS -2 2HE HIS -2 8.732 -15.420 5.499 55 H HIS -1 H HIS -1 9.076 -10.046 0.903 56 HA HIS -1 HA HIS -1 10.010 -7.288 1.334 57 1HB HIS -1 2HB HIS -1 11.129 -9.368 -0.543 58 2HB HIS -1 1HB HIS -1 11.443 -7.647 -0.741 59 HD1 HIS -1 1HD HIS -1 11.430 -7.834 2.709 60 HD2 HIS -1 2HD HIS -1 14.067 -9.278 -0.160 61 HE1 HIS -1 1HE HIS -1 13.612 -8.175 3.912 62 HE2 HIS -1 2HE HIS -1 15.166 -9.133 2.176 63 H MET 0 H MET 0 9.720 -5.882 -0.573 64 HA MET 0 HA MET 0 8.393 -4.910 -2.142 65 1HB MET 0 2HB MET 0 8.729 -7.661 -2.983 66 2HB MET 0 1HB MET 0 7.173 -7.029 -3.507 67 1HG MET 0 2HG MET 0 8.135 -5.394 -4.826 68 2HG MET 0 1HG MET 0 9.666 -5.448 -3.956 69 1HE MET 0 1HE MET 0 11.548 -8.401 -5.415 70 2HE MET 0 2HE MET 0 10.695 -8.339 -3.874 71 3HE MET 0 3HE MET 0 11.588 -6.929 -4.446 72 H GLY 1 H GLY 1 6.852 -3.985 -0.845 73 1HA GLY 1 2HA GLY 1 4.191 -4.986 -1.096 74 2HA GLY 1 1HA GLY 1 4.799 -5.200 0.540 75 H SER 2 H SER 2 5.608 -2.528 -1.600 76 HA SER 2 HA SER 2 3.960 -0.736 0.044 77 1HB SER 2 2HB SER 2 6.730 0.045 -0.846 78 2HB SER 2 1HB SER 2 5.717 0.803 0.383 79 HG SER 2 HG SER 2 7.572 -0.849 0.884 80 H ALA 3 H ALA 3 5.912 -1.045 -2.906 81 HA ALA 3 HA ALA 3 4.426 1.107 -4.180 82 1HB ALA 3 1HB ALA 3 6.521 -0.599 -5.491 83 2HB ALA 3 2HB ALA 3 6.938 0.736 -4.417 84 3HB ALA 3 3HB ALA 3 6.026 1.045 -5.894 85 H GLY 4 H GLY 4 4.626 -2.380 -4.218 86 1HA GLY 4 2HA GLY 4 3.033 -2.641 -6.620 87 2HA GLY 4 1HA GLY 4 3.592 -3.949 -5.589 88 H THR 5 H THR 5 2.480 -2.578 -3.183 89 HA THR 5 HA THR 5 -0.186 -3.678 -3.405 90 HB THR 5 HB THR 5 -0.324 -3.224 -0.980 91 HG1 THR 5 1HG THR 5 2.322 -2.242 -1.224 92 1HG2 THR 5 1HG2 THR 5 1.376 -5.065 -2.191 93 2HG2 THR 5 2HG2 THR 5 0.750 -5.103 -0.543 94 3HG2 THR 5 3HG2 THR 5 2.313 -4.355 -0.875 95 H GLN 6 H GLN 6 1.295 -0.524 -2.769 96 HA GLN 6 HA GLN 6 -1.097 0.901 -2.357 97 1HB GLN 6 2HB GLN 6 1.392 1.575 -1.940 98 2HB GLN 6 1HB GLN 6 1.318 2.175 -3.591 99 1HG GLN 6 2HG GLN 6 -0.737 3.481 -2.855 100 2HG GLN 6 1HG GLN 6 -0.255 3.082 -1.207 101 1HE2 GLN 6 1HE2 GLN 6 0.929 4.552 -0.240 102 2HE2 GLN 6 2HE2 GLN 6 1.977 5.691 -1.007 103 H GLU 7 H GLU 7 0.633 -0.004 -5.263 104 HA GLU 7 HA GLU 7 -0.629 1.741 -7.067 105 1HB GLU 7 2HB GLU 7 0.710 -0.932 -7.381 106 2HB GLU 7 1HB GLU 7 -0.037 -0.124 -8.753 107 1HG GLU 7 2HG GLU 7 1.888 1.409 -7.091 108 2HG GLU 7 1HG GLU 7 2.513 0.178 -8.189 109 H GLU 8 H GLU 8 -1.446 -1.581 -6.098 110 HA GLU 8 HA GLU 8 -3.707 -1.806 -7.782 111 1HB GLU 8 2HB GLU 8 -4.287 -3.765 -6.446 112 2HB GLU 8 1HB GLU 8 -2.572 -3.764 -6.834 113 1HG GLU 8 2HG GLU 8 -1.941 -3.332 -4.665 114 2HG GLU 8 1HG GLU 8 -3.496 -2.616 -4.243 115 H LEU 9 H LEU 9 -3.235 -0.506 -4.573 116 HA LEU 9 HA LEU 9 -5.951 -0.420 -3.792 117 1HB LEU 9 2HB LEU 9 -3.909 -0.153 -2.314 118 2HB LEU 9 1HB LEU 9 -3.791 1.490 -2.915 119 HG LEU 9 HG LEU 9 -6.260 1.689 -2.079 120 1HD1 LEU 9 1HD1 LEU 9 -6.738 -0.549 -1.505 121 2HD1 LEU 9 2HD1 LEU 9 -6.528 0.305 0.023 122 3HD1 LEU 9 3HD1 LEU 9 -5.235 -0.719 -0.601 123 1HD2 LEU 9 1HD2 LEU 9 -3.736 1.749 -0.474 124 2HD2 LEU 9 2HD2 LEU 9 -5.286 2.122 0.285 125 3HD2 LEU 9 3HD2 LEU 9 -4.713 3.087 -1.075 126 H LEU 10 H LEU 10 -3.827 2.028 -5.260 127 HA LEU 10 HA LEU 10 -5.735 4.084 -5.391 128 1HB LEU 10 2HB LEU 10 -3.143 3.498 -6.719 129 2HB LEU 10 1HB LEU 10 -4.168 4.711 -7.463 130 HG LEU 10 HG LEU 10 -3.727 5.011 -4.554 131 1HD1 LEU 10 1HD1 LEU 10 -1.507 4.653 -4.776 132 2HD1 LEU 10 2HD1 LEU 10 -1.540 6.303 -5.398 133 3HD1 LEU 10 3HD1 LEU 10 -1.523 4.939 -6.516 134 1HD2 LEU 10 1HD2 LEU 10 -4.984 6.708 -5.543 135 2HD2 LEU 10 2HD2 LEU 10 -3.940 6.783 -6.962 136 3HD2 LEU 10 3HD2 LEU 10 -3.367 7.401 -5.413 137 H ARG 11 H ARG 11 -5.021 1.407 -7.541 138 HA ARG 11 HA ARG 11 -6.511 2.288 -9.768 139 1HB ARG 11 2HB ARG 11 -5.657 -0.443 -8.827 140 2HB ARG 11 1HB ARG 11 -6.589 -0.218 -10.301 141 1HG ARG 11 2HG ARG 11 -4.315 1.555 -10.233 142 2HG ARG 11 1HG ARG 11 -3.824 -0.127 -10.025 143 1HD ARG 11 2HD ARG 11 -4.803 -0.771 -12.070 144 2HD ARG 11 1HD ARG 11 -5.711 0.735 -12.199 145 HE ARG 11 HE ARG 11 -3.091 1.507 -12.206 146 1HH1 ARG 11 1HH1 ARG 11 -5.022 -0.668 -14.133 147 2HH1 ARG 11 2HH1 ARG 11 -4.087 -0.425 -15.571 148 1HH2 ARG 11 1HH2 ARG 11 -1.862 1.828 -14.095 149 2HH2 ARG 11 2HH2 ARG 11 -2.293 0.992 -15.549 150 H TRP 12 H TRP 12 -7.386 0.367 -6.935 151 HA TRP 12 HA TRP 12 -10.011 -0.266 -7.789 152 1HB TRP 12 2HB TRP 12 -8.828 -1.513 -6.016 153 2HB TRP 12 1HB TRP 12 -8.916 -0.096 -4.974 154 HD1 TRP 12 HD TRP 12 -11.233 -2.707 -6.626 155 HE1 TRP 12 1HE TRP 12 -13.380 -2.878 -5.216 156 HE3 TRP 12 3HE TRP 12 -10.321 1.059 -3.290 157 HZ2 TRP 12 2HZ TRP 12 -14.534 -1.588 -2.987 158 HZ3 TRP 12 3HZ TRP 12 -11.997 1.526 -1.550 159 HH2 TRP 12 HH TRP 12 -14.060 0.230 -1.404 160 H CYS 13 H CYS 13 -8.688 2.337 -5.788 161 HA CYS 13 HA CYS 13 -11.138 3.487 -5.033 162 1HB CYS 13 2HB CYS 13 -8.723 3.944 -4.174 163 2HB CYS 13 1HB CYS 13 -8.667 5.134 -5.469 164 HG CYS 13 HG CYS 13 -11.039 5.477 -3.573 165 H GLN 14 H GLN 14 -8.983 4.178 -7.768 166 HA GLN 14 HA GLN 14 -10.445 6.331 -8.820 167 1HB GLN 14 2HB GLN 14 -8.105 5.693 -9.449 168 2HB GLN 14 1HB GLN 14 -8.771 4.358 -10.379 169 1HG GLN 14 2HG GLN 14 -10.190 6.439 -11.374 170 2HG GLN 14 1HG GLN 14 -8.656 7.220 -10.997 171 1HE2 GLN 14 1HE2 GLN 14 -9.707 6.863 -13.589 172 2HE2 GLN 14 2HE2 GLN 14 -8.636 5.826 -14.461 173 H GLU 15 H GLU 15 -10.670 2.848 -9.388 174 HA GLU 15 HA GLU 15 -12.556 2.990 -11.491 175 1HB GLU 15 2HB GLU 15 -11.072 0.997 -10.492 176 2HB GLU 15 1HB GLU 15 -12.583 0.643 -9.667 177 1HG GLU 15 2HG GLU 15 -13.602 -0.051 -11.544 178 2HG GLU 15 1HG GLU 15 -12.819 1.169 -12.549 179 H GLN 16 H GLN 16 -12.909 2.534 -7.990 180 HA GLN 16 HA GLN 16 -15.730 2.294 -8.016 181 1HB GLN 16 2HB GLN 16 -13.864 1.829 -6.148 182 2HB GLN 16 1HB GLN 16 -14.397 3.417 -5.613 183 1HG GLN 16 2HG GLN 16 -15.617 1.706 -4.444 184 2HG GLN 16 1HG GLN 16 -16.706 2.590 -5.513 185 1HE2 GLN 16 1HE2 GLN 16 -15.465 -0.437 -4.641 186 2HE2 GLN 16 2HE2 GLN 16 -16.223 -1.376 -5.877 187 H THR 17 H THR 17 -13.559 5.018 -7.977 188 HA THR 17 HA THR 17 -15.675 6.898 -7.328 189 HB THR 17 HB THR 17 -12.790 7.394 -8.087 190 HG1 THR 17 1HG THR 17 -13.148 6.222 -6.101 191 1HG2 THR 17 1HG2 THR 17 -13.642 9.454 -6.470 192 2HG2 THR 17 2HG2 THR 17 -14.988 9.207 -7.582 193 3HG2 THR 17 3HG2 THR 17 -13.372 9.527 -8.210 194 H ALA 18 H ALA 18 -15.130 5.231 -10.005 195 HA ALA 18 HA ALA 18 -15.085 7.340 -11.968 196 1HB ALA 18 1HB ALA 18 -15.924 4.632 -12.782 197 2HB ALA 18 2HB ALA 18 -14.317 4.767 -12.068 198 3HB ALA 18 3HB ALA 18 -14.730 5.715 -13.496 199 H GLY 19 H GLY 19 -16.781 8.342 -12.863 200 1HA GLY 19 2HA GLY 19 -19.162 7.603 -13.707 201 2HA GLY 19 1HA GLY 19 -19.455 7.548 -11.976 202 H TYR 20 H TYR 20 -17.560 9.870 -11.623 203 HA TYR 20 HA TYR 20 -19.556 11.931 -12.078 204 1HB TYR 20 2HB TYR 20 -16.901 12.229 -10.679 205 2HB TYR 20 1HB TYR 20 -18.313 13.270 -10.537 206 HD1 TYR 20 1HD TYR 20 -19.988 12.824 -8.935 207 HD2 TYR 20 2HD TYR 20 -17.027 9.882 -9.750 208 HE1 TYR 20 1HE TYR 20 -20.768 11.514 -7.008 209 HE2 TYR 20 2HE TYR 20 -17.800 8.562 -7.826 210 HH TYR 20 HH TYR 20 -20.065 8.361 -6.526 211 HA PRO 21 HA PRO 21 -17.399 13.208 -15.801 212 1HB PRO 21 2HB PRO 21 -19.195 15.536 -15.707 213 2HB PRO 21 1HB PRO 21 -19.043 14.287 -16.944 214 1HG PRO 21 2HG PRO 21 -21.184 14.428 -15.327 215 2HG PRO 21 1HG PRO 21 -20.534 12.878 -15.894 216 1HD PRO 21 2HD PRO 21 -20.187 14.222 -13.239 217 2HD PRO 21 1HD PRO 21 -20.474 12.508 -13.607 218 H GLY 22 H GLY 22 -15.759 13.694 -13.828 219 1HA GLY 22 2HA GLY 22 -14.189 15.761 -14.360 220 2HA GLY 22 1HA GLY 22 -15.444 16.567 -13.430 221 H VAL 23 H VAL 23 -14.159 13.317 -12.905 222 HA VAL 23 HA VAL 23 -13.069 14.255 -10.338 223 HB VAL 23 HB VAL 23 -15.122 12.893 -10.068 224 1HG1 VAL 23 1HG1 VAL 23 -13.732 10.391 -10.761 225 2HG1 VAL 23 2HG1 VAL 23 -14.228 11.397 -12.122 226 3HG1 VAL 23 3HG1 VAL 23 -15.426 10.841 -10.953 227 1HG2 VAL 23 1HG2 VAL 23 -13.290 12.967 -8.370 228 2HG2 VAL 23 2HG2 VAL 23 -12.675 11.459 -9.050 229 3HG2 VAL 23 3HG2 VAL 23 -14.277 11.506 -8.313 230 H HIS 24 H HIS 24 -10.956 14.023 -10.187 231 HA HIS 24 HA HIS 24 -9.626 11.973 -11.828 232 1HB HIS 24 2HB HIS 24 -8.616 14.620 -10.775 233 2HB HIS 24 1HB HIS 24 -7.574 13.412 -11.519 234 HD1 HIS 24 1HD HIS 24 -7.336 15.764 -13.074 235 HD2 HIS 24 2HD HIS 24 -10.689 13.358 -13.550 236 HE1 HIS 24 1HE HIS 24 -8.278 16.364 -15.327 237 HE2 HIS 24 2HE HIS 24 -10.356 14.958 -15.556 238 H VAL 25 H VAL 25 -9.259 10.221 -10.624 239 HA VAL 25 HA VAL 25 -8.288 10.602 -7.868 240 HB VAL 25 HB VAL 25 -9.568 8.110 -8.986 241 1HG1 VAL 25 1HG1 VAL 25 -8.779 8.985 -6.219 242 2HG1 VAL 25 2HG1 VAL 25 -8.227 7.570 -7.115 243 3HG1 VAL 25 3HG1 VAL 25 -9.886 7.646 -6.522 244 1HG2 VAL 25 1HG2 VAL 25 -11.406 9.045 -7.268 245 2HG2 VAL 25 2HG2 VAL 25 -11.430 9.397 -8.997 246 3HG2 VAL 25 3HG2 VAL 25 -10.756 10.572 -7.868 247 H SER 26 H SER 26 -6.096 10.767 -8.363 248 HA SER 26 HA SER 26 -4.806 8.223 -8.892 249 1HB SER 26 2HB SER 26 -5.164 9.821 -11.050 250 2HB SER 26 1HB SER 26 -3.623 10.441 -10.454 251 HG SER 26 HG SER 26 -4.271 7.837 -11.325 252 H ASP 27 H ASP 27 -5.120 10.353 -6.752 253 HA ASP 27 HA ASP 27 -2.283 10.456 -6.043 254 1HB ASP 27 2HB ASP 27 -4.094 12.827 -5.590 255 2HB ASP 27 1HB ASP 27 -2.348 12.745 -5.385 256 H LEU 28 H LEU 28 -1.855 10.208 -3.874 257 HA LEU 28 HA LEU 28 -4.127 9.353 -2.251 258 1HB LEU 28 2HB LEU 28 -1.155 8.964 -2.037 259 2HB LEU 28 1HB LEU 28 -2.220 8.607 -0.690 260 HG LEU 28 HG LEU 28 -2.481 7.338 -3.414 261 1HD1 LEU 28 1HD1 LEU 28 -0.385 6.906 -1.787 262 2HD1 LEU 28 2HD1 LEU 28 -1.094 5.664 -2.819 263 3HD1 LEU 28 3HD1 LEU 28 -1.540 5.755 -1.116 264 1HD2 LEU 28 1HD2 LEU 28 -3.967 7.171 -0.866 265 2HD2 LEU 28 2HD2 LEU 28 -3.667 5.654 -1.711 266 3HD2 LEU 28 3HD2 LEU 28 -4.527 6.961 -2.524 267 H SER 29 H SER 29 -3.843 12.143 -2.698 268 HA SER 29 HA SER 29 -3.978 13.071 -0.013 269 1HB SER 29 2HB SER 29 -1.611 13.156 -0.015 270 2HB SER 29 1HB SER 29 -1.555 13.792 -1.660 271 HG SER 29 HG SER 29 -2.757 15.208 0.473 272 H SER 30 H SER 30 -2.873 14.785 -2.920 273 HA SER 30 HA SER 30 -4.665 16.907 -2.665 274 1HB SER 30 2HB SER 30 -2.712 17.177 -4.029 275 2HB SER 30 1HB SER 30 -3.195 15.846 -5.082 276 HG SER 30 HG SER 30 -3.706 18.346 -5.466 277 H SER 31 H SER 31 -5.163 13.731 -3.891 278 HA SER 31 HA SER 31 -7.341 14.271 -5.624 279 1HB SER 31 2HB SER 31 -5.876 12.113 -5.357 280 2HB SER 31 1HB SER 31 -7.088 11.669 -4.155 281 HG SER 31 HG SER 31 -7.422 12.129 -6.919 282 H TRP 32 H TRP 32 -7.055 14.003 -2.186 283 HA TRP 32 HA TRP 32 -9.983 13.942 -1.917 284 1HB TRP 32 2HB TRP 32 -8.012 13.527 0.324 285 2HB TRP 32 1HB TRP 32 -9.710 13.069 0.266 286 HD1 TRP 32 HD TRP 32 -6.504 12.148 -1.740 287 HE1 TRP 32 1HE TRP 32 -6.571 9.618 -2.208 288 HE3 TRP 32 3HE TRP 32 -10.994 11.040 0.437 289 HZ2 TRP 32 2HZ TRP 32 -8.300 7.440 -1.718 290 HZ3 TRP 32 3HZ TRP 32 -11.783 8.709 0.394 291 HH2 TRP 32 HH TRP 32 -10.464 6.948 -0.662 292 H ALA 33 H ALA 33 -8.000 16.264 -2.440 293 HA ALA 33 HA ALA 33 -7.877 17.957 -0.244 294 1HB ALA 33 1HB ALA 33 -7.725 18.284 -3.164 295 2HB ALA 33 2HB ALA 33 -6.652 18.874 -1.895 296 3HB ALA 33 3HB ALA 33 -8.146 19.736 -2.257 297 H ASP 34 H ASP 34 -10.306 18.090 -2.863 298 HA ASP 34 HA ASP 34 -12.035 19.718 -1.200 299 1HB ASP 34 2HB ASP 34 -13.527 19.689 -3.230 300 2HB ASP 34 1HB ASP 34 -11.923 20.361 -3.503 301 H GLY 35 H GLY 35 -11.426 16.558 -1.126 302 1HA GLY 35 2HA GLY 35 -12.582 14.824 -0.146 303 2HA GLY 35 1HA GLY 35 -13.934 15.920 0.089 304 H LEU 36 H LEU 36 -12.526 15.372 -3.059 305 HA LEU 36 HA LEU 36 -15.032 14.639 -4.172 306 1HB LEU 36 2HB LEU 36 -12.514 15.451 -5.126 307 2HB LEU 36 1HB LEU 36 -12.812 13.880 -5.845 308 HG LEU 36 HG LEU 36 -13.570 15.665 -7.314 309 1HD1 LEU 36 1HD1 LEU 36 -15.406 14.550 -7.990 310 2HD1 LEU 36 2HD1 LEU 36 -16.164 14.615 -6.400 311 3HD1 LEU 36 3HD1 LEU 36 -14.921 13.411 -6.734 312 1HD2 LEU 36 1HD2 LEU 36 -14.888 16.594 -4.837 313 2HD2 LEU 36 2HD2 LEU 36 -15.794 16.788 -6.337 314 3HD2 LEU 36 3HD2 LEU 36 -14.196 17.516 -6.172 315 H ALA 37 H ALA 37 -12.097 12.806 -3.398 316 HA ALA 37 HA ALA 37 -13.044 10.332 -4.404 317 1HB ALA 37 1HB ALA 37 -10.663 11.324 -3.195 318 2HB ALA 37 2HB ALA 37 -10.901 9.847 -4.127 319 3HB ALA 37 3HB ALA 37 -11.140 9.834 -2.381 320 H LEU 38 H LEU 38 -12.909 11.669 -1.106 321 HA LEU 38 HA LEU 38 -13.954 9.416 0.200 322 1HB LEU 38 2HB LEU 38 -13.201 12.073 0.883 323 2HB LEU 38 1HB LEU 38 -14.791 11.775 1.562 324 HG LEU 38 HG LEU 38 -12.311 10.123 2.050 325 1HD1 LEU 38 1HD1 LEU 38 -12.871 12.510 3.146 326 2HD1 LEU 38 2HD1 LEU 38 -12.029 11.218 4.000 327 3HD1 LEU 38 3HD1 LEU 38 -13.760 11.454 4.244 328 1HD2 LEU 38 1HD2 LEU 38 -14.007 8.559 2.193 329 2HD2 LEU 38 2HD2 LEU 38 -15.181 9.733 2.786 330 3HD2 LEU 38 3HD2 LEU 38 -13.903 9.149 3.852 331 H CYS 39 H CYS 39 -15.600 12.315 -1.052 332 HA CYS 39 HA CYS 39 -18.185 11.436 -0.242 333 1HB CYS 39 2HB CYS 39 -17.128 13.820 -1.149 334 2HB CYS 39 1HB CYS 39 -18.155 13.310 -2.485 335 HG CYS 39 HG CYS 39 -19.318 14.774 -0.440 336 H ALA 40 H ALA 40 -16.324 11.216 -3.227 337 HA ALA 40 HA ALA 40 -18.334 10.298 -4.935 338 1HB ALA 40 1HB ALA 40 -16.325 9.117 -6.086 339 2HB ALA 40 2HB ALA 40 -15.361 9.984 -4.891 340 3HB ALA 40 3HB ALA 40 -16.377 10.878 -6.021 341 H LEU 41 H LEU 41 -16.289 8.579 -2.637 342 HA LEU 41 HA LEU 41 -17.105 5.963 -3.401 343 1HB LEU 41 2HB LEU 41 -15.875 7.013 -0.853 344 2HB LEU 41 1HB LEU 41 -16.140 5.311 -1.180 345 HG LEU 41 HG LEU 41 -14.582 6.816 -3.203 346 1HD1 LEU 41 1HD1 LEU 41 -13.009 5.848 -0.904 347 2HD1 LEU 41 2HD1 LEU 41 -13.900 7.352 -0.663 348 3HD1 LEU 41 3HD1 LEU 41 -12.731 7.220 -1.978 349 1HD2 LEU 41 1HD2 LEU 41 -13.253 4.677 -3.073 350 2HD2 LEU 41 2HD2 LEU 41 -14.929 4.505 -3.599 351 3HD2 LEU 41 3HD2 LEU 41 -14.475 4.083 -1.948 352 H VAL 42 H VAL 42 -18.009 8.072 -0.680 353 HA VAL 42 HA VAL 42 -19.920 6.385 0.468 354 HB VAL 42 HB VAL 42 -20.004 9.404 0.456 355 1HG1 VAL 42 1HG1 VAL 42 -21.086 9.072 2.671 356 2HG1 VAL 42 2HG1 VAL 42 -21.132 7.340 2.343 357 3HG1 VAL 42 3HG1 VAL 42 -22.035 8.457 1.317 358 1HG2 VAL 42 1HG2 VAL 42 -17.879 7.901 1.285 359 2HG2 VAL 42 2HG2 VAL 42 -18.815 8.062 2.769 360 3HG2 VAL 42 3HG2 VAL 42 -18.290 9.502 1.897 361 H TYR 43 H TYR 43 -20.269 8.909 -1.996 362 HA TYR 43 HA TYR 43 -23.051 8.835 -2.251 363 1HB TYR 43 2HB TYR 43 -21.692 10.609 -3.236 364 2HB TYR 43 1HB TYR 43 -20.956 9.455 -4.343 365 HD1 TYR 43 1HD TYR 43 -24.177 11.068 -3.444 366 HD2 TYR 43 2HD TYR 43 -21.974 8.949 -6.403 367 HE1 TYR 43 1HE TYR 43 -25.955 11.516 -5.081 368 HE2 TYR 43 2HE TYR 43 -23.744 9.393 -8.049 369 HH TYR 43 HH TYR 43 -26.139 9.930 -8.079 370 H ARG 44 H ARG 44 -20.539 6.865 -3.740 371 HA ARG 44 HA ARG 44 -22.158 5.547 -5.624 372 1HB ARG 44 2HB ARG 44 -19.460 5.397 -4.710 373 2HB ARG 44 1HB ARG 44 -20.124 3.770 -4.711 374 1HG ARG 44 2HG ARG 44 -20.635 5.421 -7.110 375 2HG ARG 44 1HG ARG 44 -18.979 4.871 -6.846 376 1HD ARG 44 2HD ARG 44 -19.792 3.100 -8.037 377 2HD ARG 44 1HD ARG 44 -20.184 2.566 -6.404 378 HE ARG 44 HE ARG 44 -22.410 2.784 -6.902 379 1HH1 ARG 44 1HH1 ARG 44 -20.534 4.410 -9.354 380 2HH1 ARG 44 2HH1 ARG 44 -21.895 4.690 -10.388 381 1HH2 ARG 44 1HH2 ARG 44 -24.201 3.149 -8.261 382 2HH2 ARG 44 2HH2 ARG 44 -23.977 3.974 -9.767 383 H LEU 45 H LEU 45 -21.370 4.804 -2.258 384 HA LEU 45 HA LEU 45 -22.807 2.325 -2.247 385 1HB LEU 45 2HB LEU 45 -21.327 3.974 -0.290 386 2HB LEU 45 1HB LEU 45 -22.597 2.961 0.373 387 HG LEU 45 HG LEU 45 -20.274 1.970 0.364 388 1HD1 LEU 45 1HD1 LEU 45 -21.771 0.323 0.762 389 2HD1 LEU 45 2HD1 LEU 45 -21.255 -0.205 -0.840 390 3HD1 LEU 45 3HD1 LEU 45 -22.748 0.717 -0.653 391 1HD2 LEU 45 1HD2 LEU 45 -20.776 1.486 -2.558 392 2HD2 LEU 45 2HD2 LEU 45 -19.308 1.185 -1.627 393 3HD2 LEU 45 3HD2 LEU 45 -19.802 2.839 -1.983 394 H GLN 46 H GLN 46 -23.500 5.652 -1.320 395 HA GLN 46 HA GLN 46 -26.342 4.969 -1.197 396 1HB GLN 46 2HB GLN 46 -24.812 5.468 1.103 397 2HB GLN 46 1HB GLN 46 -25.718 6.947 0.820 398 1HG GLN 46 2HG GLN 46 -27.085 5.689 2.215 399 2HG GLN 46 1HG GLN 46 -27.768 5.447 0.608 400 1HE2 GLN 46 1HE2 GLN 46 -28.689 3.490 0.930 401 2HE2 GLN 46 2HE2 GLN 46 -27.804 2.049 1.289 402 HA PRO 47 HA PRO 47 -25.487 8.766 -3.724 403 1HB PRO 47 2HB PRO 47 -27.221 8.121 -5.714 404 2HB PRO 47 1HB PRO 47 -25.544 7.563 -5.679 405 1HG PRO 47 2HG PRO 47 -28.038 6.118 -4.869 406 2HG PRO 47 1HG PRO 47 -26.649 5.521 -5.797 407 1HD PRO 47 2HD PRO 47 -26.969 4.986 -3.166 408 2HD PRO 47 1HD PRO 47 -25.369 5.186 -3.908 409 H GLY 48 H GLY 48 -28.262 7.291 -2.306 410 1HA GLY 48 2HA GLY 48 -30.019 9.531 -2.897 411 2HA GLY 48 1HA GLY 48 -30.433 8.091 -1.980 412 H LEU 49 H LEU 49 -27.850 8.590 -0.390 413 HA LEU 49 HA LEU 49 -28.988 10.670 1.363 414 1HB LEU 49 2HB LEU 49 -27.578 8.097 1.998 415 2HB LEU 49 1HB LEU 49 -27.646 9.405 3.165 416 HG LEU 49 HG LEU 49 -30.003 7.931 1.992 417 1HD1 LEU 49 1HD1 LEU 49 -28.910 6.588 3.627 418 2HD1 LEU 49 2HD1 LEU 49 -30.341 7.288 4.384 419 3HD1 LEU 49 3HD1 LEU 49 -28.747 7.959 4.725 420 1HD2 LEU 49 1HD2 LEU 49 -31.141 9.320 3.899 421 2HD2 LEU 49 2HD2 LEU 49 -30.901 10.020 2.299 422 3HD2 LEU 49 3HD2 LEU 49 -29.794 10.422 3.613 423 H LEU 50 H LEU 50 -27.050 10.997 -0.844 424 HA LEU 50 HA LEU 50 -24.999 12.380 0.708 425 1HB LEU 50 2HB LEU 50 -24.529 9.997 -0.812 426 2HB LEU 50 1HB LEU 50 -23.682 11.333 -1.569 427 HG LEU 50 HG LEU 50 -22.316 10.050 0.075 428 1HD1 LEU 50 1HD1 LEU 50 -21.157 11.902 0.743 429 2HD1 LEU 50 2HD1 LEU 50 -22.613 12.794 1.183 430 3HD1 LEU 50 3HD1 LEU 50 -22.172 12.609 -0.514 431 1HD2 LEU 50 1HD2 LEU 50 -24.266 9.695 1.648 432 2HD2 LEU 50 2HD2 LEU 50 -24.018 11.358 2.182 433 3HD2 LEU 50 3HD2 LEU 50 -22.738 10.162 2.395 434 H GLU 51 H GLU 51 -23.705 13.880 -0.692 435 HA GLU 51 HA GLU 51 -24.937 14.685 -3.186 436 1HB GLU 51 2HB GLU 51 -24.992 16.440 -0.729 437 2HB GLU 51 1HB GLU 51 -25.203 17.063 -2.359 438 1HG GLU 51 2HG GLU 51 -27.193 15.737 -2.655 439 2HG GLU 51 1HG GLU 51 -26.952 14.972 -1.085 440 HA PRO 52 HA PRO 52 -20.257 15.166 -2.655 441 1HB PRO 52 2HB PRO 52 -19.805 14.082 -5.171 442 2HB PRO 52 1HB PRO 52 -19.711 13.195 -3.647 443 1HG PRO 52 2HG PRO 52 -21.951 13.346 -5.615 444 2HG PRO 52 1HG PRO 52 -21.359 11.953 -4.692 445 1HD PRO 52 2HD PRO 52 -23.586 13.240 -3.970 446 2HD PRO 52 1HD PRO 52 -22.453 12.617 -2.751 447 H SER 53 H SER 53 -22.546 15.839 -5.237 448 HA SER 53 HA SER 53 -20.967 17.544 -6.787 449 1HB SER 53 2HB SER 53 -23.071 16.738 -7.645 450 2HB SER 53 1HB SER 53 -23.957 17.520 -6.336 451 HG SER 53 HG SER 53 -24.022 19.227 -7.538 452 H GLU 54 H GLU 54 -23.020 18.214 -3.993 453 HA GLU 54 HA GLU 54 -22.626 21.035 -4.061 454 1HB GLU 54 2HB GLU 54 -23.801 19.089 -2.126 455 2HB GLU 54 1HB GLU 54 -23.396 20.701 -1.549 456 1HG GLU 54 2HG GLU 54 -24.740 21.370 -3.756 457 2HG GLU 54 1HG GLU 54 -25.514 19.824 -3.409 458 H LEU 55 H LEU 55 -21.270 18.457 -2.008 459 HA LEU 55 HA LEU 55 -19.529 20.179 -0.580 460 1HB LEU 55 2HB LEU 55 -19.621 17.198 -0.949 461 2HB LEU 55 1HB LEU 55 -18.379 17.976 0.013 462 HG LEU 55 HG LEU 55 -20.208 17.105 1.398 463 1HD1 LEU 55 1HD1 LEU 55 -20.865 19.642 2.198 464 2HD1 LEU 55 2HD1 LEU 55 -19.344 19.891 1.340 465 3HD1 LEU 55 3HD1 LEU 55 -19.423 18.752 2.684 466 1HD2 LEU 55 1HD2 LEU 55 -22.423 18.022 1.293 467 2HD2 LEU 55 2HD2 LEU 55 -21.991 17.411 -0.303 468 3HD2 LEU 55 3HD2 LEU 55 -21.945 19.145 0.018 469 H GLN 56 H GLN 56 -19.389 19.068 -3.744 470 HA GLN 56 HA GLN 56 -16.642 18.595 -4.082 471 1HB GLN 56 2HB GLN 56 -18.285 17.912 -5.736 472 2HB GLN 56 1HB GLN 56 -18.713 19.589 -6.038 473 1HG GLN 56 2HG GLN 56 -15.878 19.111 -6.400 474 2HG GLN 56 1HG GLN 56 -16.866 18.074 -7.428 475 1HE2 GLN 56 1HE2 GLN 56 -16.286 19.105 -9.313 476 2HE2 GLN 56 2HE2 GLN 56 -16.818 20.699 -9.711 477 H GLY 57 H GLY 57 -18.547 21.559 -4.278 478 1HA GLY 57 2HA GLY 57 -16.014 23.045 -4.602 479 2HA GLY 57 1HA GLY 57 -17.566 23.608 -5.208 480 H LEU 58 H LEU 58 -18.531 22.415 -2.427 481 HA LEU 58 HA LEU 58 -18.876 24.867 -1.150 482 1HB LEU 58 2HB LEU 58 -19.259 22.034 -0.447 483 2HB LEU 58 1HB LEU 58 -19.056 23.112 0.920 484 HG LEU 58 HG LEU 58 -20.969 24.114 -1.053 485 1HD1 LEU 58 1HD1 LEU 58 -22.474 22.193 0.344 486 2HD1 LEU 58 2HD1 LEU 58 -21.107 21.338 -0.371 487 3HD1 LEU 58 3HD1 LEU 58 -22.181 22.291 -1.393 488 1HD2 LEU 58 1HD2 LEU 58 -20.790 25.182 1.059 489 2HD2 LEU 58 2HD2 LEU 58 -20.957 23.652 1.921 490 3HD2 LEU 58 3HD2 LEU 58 -22.333 24.327 1.047 491 H GLY 59 H GLY 59 -16.225 22.602 -1.043 492 1HA GLY 59 2HA GLY 59 -14.180 24.079 -0.331 493 2HA GLY 59 1HA GLY 59 -15.016 24.036 1.213 494 H ALA 60 H ALA 60 -12.498 23.121 1.148 495 HA ALA 60 HA ALA 60 -12.376 20.294 0.656 496 1HB ALA 60 1HB ALA 60 -10.517 22.393 1.566 497 2HB ALA 60 2HB ALA 60 -10.274 21.079 0.416 498 3HB ALA 60 3HB ALA 60 -10.186 20.763 2.148 499 H LEU 61 H LEU 61 -11.936 22.182 3.656 500 HA LEU 61 HA LEU 61 -12.167 20.012 5.401 501 1HB LEU 61 2HB LEU 61 -12.200 22.939 5.614 502 2HB LEU 61 1HB LEU 61 -13.099 22.126 6.881 503 HG LEU 61 HG LEU 61 -10.790 22.593 7.554 504 1HD1 LEU 61 1HD1 LEU 61 -10.604 20.677 8.725 505 2HD1 LEU 61 2HD1 LEU 61 -10.731 19.659 7.289 506 3HD1 LEU 61 3HD1 LEU 61 -12.185 20.344 8.017 507 1HD2 LEU 61 1HD2 LEU 61 -10.211 21.170 5.018 508 2HD2 LEU 61 2HD2 LEU 61 -9.111 20.915 6.373 509 3HD2 LEU 61 3HD2 LEU 61 -9.392 22.544 5.760 510 H GLU 62 H GLU 62 -14.613 22.140 4.028 511 HA GLU 62 HA GLU 62 -16.777 21.273 5.622 512 1HB GLU 62 2HB GLU 62 -16.521 22.678 2.992 513 2HB GLU 62 1HB GLU 62 -18.096 22.084 3.499 514 1HG GLU 62 2HG GLU 62 -16.389 23.893 5.185 515 2HG GLU 62 1HG GLU 62 -17.607 24.478 4.051 516 H ALA 63 H ALA 63 -15.605 20.238 2.437 517 HA ALA 63 HA ALA 63 -17.618 18.330 1.947 518 1HB ALA 63 1HB ALA 63 -14.790 18.228 0.916 519 2HB ALA 63 2HB ALA 63 -16.040 19.277 0.251 520 3HB ALA 63 3HB ALA 63 -16.232 17.527 0.182 521 H THR 64 H THR 64 -14.414 18.056 3.435 522 HA THR 64 HA THR 64 -14.496 15.250 3.798 523 HB THR 64 HB THR 64 -12.943 17.130 5.559 524 HG1 THR 64 1HG THR 64 -12.259 16.341 2.923 525 1HG2 THR 64 1HG2 THR 64 -11.175 15.320 5.044 526 2HG2 THR 64 2HG2 THR 64 -12.566 14.335 4.590 527 3HG2 THR 64 3HG2 THR 64 -12.441 14.984 6.224 528 H ALA 65 H ALA 65 -15.138 17.950 6.029 529 HA ALA 65 HA ALA 65 -15.800 16.380 8.258 530 1HB ALA 65 1HB ALA 65 -15.388 18.577 8.803 531 2HB ALA 65 2HB ALA 65 -17.150 18.529 8.875 532 3HB ALA 65 3HB ALA 65 -16.343 19.203 7.459 533 H TRP 66 H TRP 66 -17.831 17.740 5.687 534 HA TRP 66 HA TRP 66 -20.295 16.855 6.769 535 1HB TRP 66 2HB TRP 66 -19.792 18.600 4.879 536 2HB TRP 66 1HB TRP 66 -19.884 17.197 3.819 537 HD1 TRP 66 HD TRP 66 -22.058 19.353 6.124 538 HE1 TRP 66 1HE TRP 66 -24.531 18.918 5.559 539 HE3 TRP 66 3HE TRP 66 -21.472 15.477 2.842 540 HZ2 TRP 66 2HZ TRP 66 -26.034 17.163 3.938 541 HZ3 TRP 66 3HZ TRP 66 -23.478 14.475 1.829 542 HH2 TRP 66 HH TRP 66 -25.711 15.303 2.366 543 H ALA 67 H ALA 67 -18.208 15.524 4.213 544 HA ALA 67 HA ALA 67 -19.767 13.255 3.666 545 1HB ALA 67 1HB ALA 67 -16.777 13.310 3.397 546 2HB ALA 67 2HB ALA 67 -17.824 14.231 2.319 547 3HB ALA 67 3HB ALA 67 -17.962 12.475 2.392 548 H LEU 68 H LEU 68 -17.189 13.826 6.006 549 HA LEU 68 HA LEU 68 -16.903 11.143 6.849 550 1HB LEU 68 2HB LEU 68 -16.157 13.807 7.975 551 2HB LEU 68 1HB LEU 68 -16.050 12.391 9.005 552 HG LEU 68 HG LEU 68 -14.666 12.581 6.335 553 1HD1 LEU 68 1HD1 LEU 68 -12.647 13.159 7.505 554 2HD1 LEU 68 2HD1 LEU 68 -13.485 13.110 9.056 555 3HD1 LEU 68 3HD1 LEU 68 -13.889 14.355 7.874 556 1HD2 LEU 68 1HD2 LEU 68 -14.590 10.365 6.788 557 2HD2 LEU 68 2HD2 LEU 68 -14.819 10.598 8.520 558 3HD2 LEU 68 3HD2 LEU 68 -13.231 10.859 7.797 559 H LYS 69 H LYS 69 -18.955 13.799 7.943 560 HA LYS 69 HA LYS 69 -19.981 12.433 10.219 561 1HB LYS 69 2HB LYS 69 -19.995 14.982 9.607 562 2HB LYS 69 1HB LYS 69 -21.512 14.588 8.813 563 1HG LYS 69 2HG LYS 69 -20.963 13.920 11.689 564 2HG LYS 69 1HG LYS 69 -21.676 15.450 11.174 565 1HD LYS 69 2HD LYS 69 -23.355 13.920 9.896 566 2HD LYS 69 1HD LYS 69 -22.808 12.686 11.035 567 1HE LYS 69 2HE LYS 69 -24.462 13.512 12.323 568 2HE LYS 69 1HE LYS 69 -23.262 14.740 12.724 569 1HZ LYS 69 1HZ LYS 69 -25.022 15.129 10.399 570 2HZ LYS 69 2HZ LYS 69 -24.263 16.286 11.372 571 3HZ LYS 69 3HZ LYS 69 -25.612 15.448 11.954 572 H VAL 70 H VAL 70 -21.276 13.019 6.957 573 HA VAL 70 HA VAL 70 -23.672 11.555 7.381 574 HB VAL 70 HB VAL 70 -23.929 11.611 4.929 575 1HG1 VAL 70 1HG1 VAL 70 -24.338 13.607 6.538 576 2HG1 VAL 70 2HG1 VAL 70 -24.380 13.875 4.796 577 3HG1 VAL 70 3HG1 VAL 70 -22.946 14.320 5.723 578 1HG2 VAL 70 1HG2 VAL 70 -22.110 13.062 3.748 579 2HG2 VAL 70 2HG2 VAL 70 -21.847 11.334 3.974 580 3HG2 VAL 70 3HG2 VAL 70 -21.078 12.491 5.059 581 H ALA 71 H ALA 71 -20.579 10.725 5.835 582 HA ALA 71 HA ALA 71 -21.217 8.162 4.962 583 1HB ALA 71 1HB ALA 71 -18.549 9.075 6.037 584 2HB ALA 71 2HB ALA 71 -19.129 9.357 4.396 585 3HB ALA 71 3HB ALA 71 -18.839 7.712 4.958 586 H GLU 72 H GLU 72 -20.002 9.260 8.093 587 HA GLU 72 HA GLU 72 -19.877 6.674 9.267 588 1HB GLU 72 2HB GLU 72 -18.567 8.537 10.150 589 2HB GLU 72 1HB GLU 72 -20.041 9.412 10.545 590 1HG GLU 72 2HG GLU 72 -19.827 6.729 11.720 591 2HG GLU 72 1HG GLU 72 -18.641 7.901 12.288 592 H ASN 73 H ASN 73 -22.315 9.200 9.100 593 HA ASN 73 HA ASN 73 -24.106 8.036 10.965 594 1HB ASN 73 2HB ASN 73 -24.003 10.462 9.994 595 2HB ASN 73 1HB ASN 73 -25.039 9.801 8.733 596 1HD2 ASN 73 1HD2 ASN 73 -24.920 11.140 11.803 597 2HD2 ASN 73 2HD2 ASN 73 -26.547 10.821 12.286 598 H GLU 74 H GLU 74 -23.818 7.861 7.445 599 HA GLU 74 HA GLU 74 -26.172 6.229 7.171 600 1HB GLU 74 2HB GLU 74 -25.019 7.898 5.472 601 2HB GLU 74 1HB GLU 74 -24.147 6.448 4.995 602 1HG GLU 74 2HG GLU 74 -27.135 6.811 5.002 603 2HG GLU 74 1HG GLU 74 -26.083 6.787 3.588 604 H LEU 75 H LEU 75 -22.668 5.676 7.021 605 HA LEU 75 HA LEU 75 -23.092 2.836 6.567 606 1HB LEU 75 2HB LEU 75 -20.553 4.439 6.845 607 2HB LEU 75 1HB LEU 75 -20.620 2.728 6.470 608 HG LEU 75 HG LEU 75 -22.133 4.549 4.681 609 1HD1 LEU 75 1HD1 LEU 75 -19.937 5.684 5.141 610 2HD1 LEU 75 2HD1 LEU 75 -20.234 5.260 3.455 611 3HD1 LEU 75 3HD1 LEU 75 -19.147 4.275 4.435 612 1HD2 LEU 75 1HD2 LEU 75 -21.625 1.905 4.661 613 2HD2 LEU 75 2HD2 LEU 75 -20.275 2.487 3.686 614 3HD2 LEU 75 3HD2 LEU 75 -21.932 2.853 3.205 615 H GLY 76 H GLY 76 -22.010 4.975 9.144 616 1HA GLY 76 2HA GLY 76 -22.178 4.473 11.441 617 2HA GLY 76 1HA GLY 76 -22.346 2.773 11.032 618 H ILE 77 H ILE 77 -19.812 4.766 9.698 619 HA ILE 77 HA ILE 77 -17.852 3.202 11.241 620 HB ILE 77 HB ILE 77 -17.347 4.654 8.645 621 1HG1 ILE 77 2HG1 ILE 77 -17.824 1.690 9.011 622 2HG1 ILE 77 1HG1 ILE 77 -19.061 2.812 8.455 623 1HG2 ILE 77 1HG2 ILE 77 -15.762 2.823 10.392 624 2HG2 ILE 77 2HG2 ILE 77 -15.282 4.334 9.623 625 3HG2 ILE 77 3HG2 ILE 77 -15.452 2.868 8.657 626 1HD1 ILE 77 1HD1 ILE 77 -18.327 2.135 6.439 627 2HD1 ILE 77 2HD1 ILE 77 -16.725 1.710 7.041 628 3HD1 ILE 77 3HD1 ILE 77 -17.124 3.395 6.707 629 H THR 78 H THR 78 -16.748 4.250 12.750 630 HA THR 78 HA THR 78 -16.908 7.099 13.008 631 HB THR 78 HB THR 78 -15.115 5.255 14.581 632 HG1 THR 78 1HG THR 78 -16.789 4.581 15.690 633 1HG2 THR 78 1HG2 THR 78 -15.841 8.026 14.819 634 2HG2 THR 78 2HG2 THR 78 -14.646 7.092 15.717 635 3HG2 THR 78 3HG2 THR 78 -16.327 7.115 16.249 636 HA PRO 79 HA PRO 79 -13.431 8.048 10.359 637 1HB PRO 79 2HB PRO 79 -13.368 10.499 12.046 638 2HB PRO 79 1HB PRO 79 -13.408 10.345 10.286 639 1HG PRO 79 2HG PRO 79 -15.583 11.081 11.634 640 2HG PRO 79 1HG PRO 79 -15.701 9.994 10.236 641 1HD PRO 79 2HD PRO 79 -15.870 9.362 13.152 642 2HD PRO 79 1HD PRO 79 -16.767 8.660 11.789 643 H VAL 80 H VAL 80 -11.268 7.768 10.532 644 HA VAL 80 HA VAL 80 -10.136 7.673 13.252 645 HB VAL 80 HB VAL 80 -9.158 6.110 10.863 646 1HG1 VAL 80 1HG1 VAL 80 -8.416 4.866 13.245 647 2HG1 VAL 80 2HG1 VAL 80 -8.133 6.585 13.516 648 3HG1 VAL 80 3HG1 VAL 80 -7.375 5.772 12.147 649 1HG2 VAL 80 1HG2 VAL 80 -10.377 4.554 12.985 650 2HG2 VAL 80 2HG2 VAL 80 -10.651 4.498 11.244 651 3HG2 VAL 80 3HG2 VAL 80 -11.522 5.666 12.236 652 H VAL 81 H VAL 81 -10.209 9.692 10.775 653 HA VAL 81 HA VAL 81 -7.539 10.705 11.323 654 HB VAL 81 HB VAL 81 -7.202 9.281 9.352 655 1HG1 VAL 81 1HG1 VAL 81 -9.232 11.066 8.015 656 2HG1 VAL 81 2HG1 VAL 81 -9.468 9.371 8.445 657 3HG1 VAL 81 3HG1 VAL 81 -8.273 9.815 7.226 658 1HG2 VAL 81 1HG2 VAL 81 -6.288 11.052 7.829 659 2HG2 VAL 81 2HG2 VAL 81 -5.778 11.182 9.513 660 3HG2 VAL 81 3HG2 VAL 81 -7.033 12.252 8.887 661 H SER 82 H SER 82 -7.329 12.923 11.010 662 HA SER 82 HA SER 82 -9.781 14.401 11.074 663 1HB SER 82 2HB SER 82 -7.230 15.869 10.738 664 2HB SER 82 1HB SER 82 -8.531 16.118 11.902 665 HG SER 82 HG SER 82 -6.257 15.048 12.420 666 H ALA 83 H ALA 83 -10.502 15.967 9.618 667 HA ALA 83 HA ALA 83 -10.294 15.343 6.903 668 1HB ALA 83 1HB ALA 83 -11.332 17.674 6.608 669 2HB ALA 83 2HB ALA 83 -11.338 17.740 8.370 670 3HB ALA 83 3HB ALA 83 -12.233 16.473 7.534 671 H GLN 84 H GLN 84 -8.699 17.874 8.805 672 HA GLN 84 HA GLN 84 -7.427 19.242 6.752 673 1HB GLN 84 2HB GLN 84 -7.073 18.956 9.649 674 2HB GLN 84 1HB GLN 84 -5.591 19.356 8.792 675 1HG GLN 84 2HG GLN 84 -7.599 21.029 7.754 676 2HG GLN 84 1HG GLN 84 -7.775 21.045 9.509 677 1HE2 GLN 84 1HE2 GLN 84 -5.323 21.316 6.968 678 2HE2 GLN 84 2HE2 GLN 84 -4.351 22.485 7.786 679 H ALA 85 H ALA 85 -6.352 16.372 8.532 680 HA ALA 85 HA ALA 85 -3.808 16.162 7.351 681 1HB ALA 85 1HB ALA 85 -3.886 14.805 9.158 682 2HB ALA 85 2HB ALA 85 -4.328 13.603 7.946 683 3HB ALA 85 3HB ALA 85 -5.581 14.386 8.910 684 H VAL 86 H VAL 86 -6.961 14.900 6.395 685 HA VAL 86 HA VAL 86 -6.077 13.243 4.298 686 HB VAL 86 HB VAL 86 -8.731 14.673 4.470 687 1HG1 VAL 86 1HG1 VAL 86 -9.040 13.709 2.480 688 2HG1 VAL 86 2HG1 VAL 86 -9.130 12.186 3.362 689 3HG1 VAL 86 3HG1 VAL 86 -7.602 12.702 2.649 690 1HG2 VAL 86 1HG2 VAL 86 -9.454 13.231 6.035 691 2HG2 VAL 86 2HG2 VAL 86 -7.740 13.037 6.395 692 3HG2 VAL 86 3HG2 VAL 86 -8.558 11.877 5.349 693 H VAL 87 H VAL 87 -7.219 16.609 4.296 694 HA VAL 87 HA VAL 87 -6.868 16.950 1.485 695 HB VAL 87 HB VAL 87 -7.068 19.101 3.594 696 1HG1 VAL 87 1HG1 VAL 87 -7.238 20.610 1.941 697 2HG1 VAL 87 2HG1 VAL 87 -8.209 19.539 0.930 698 3HG1 VAL 87 3HG1 VAL 87 -6.454 19.375 0.955 699 1HG2 VAL 87 1HG2 VAL 87 -9.089 18.218 3.997 700 2HG2 VAL 87 2HG2 VAL 87 -9.055 17.229 2.538 701 3HG2 VAL 87 3HG2 VAL 87 -9.539 18.922 2.444 702 H ALA 88 H ALA 88 -4.923 17.678 4.335 703 HA ALA 88 HA ALA 88 -2.886 19.020 2.780 704 1HB ALA 88 1HB ALA 88 -3.653 19.284 5.342 705 2HB ALA 88 2HB ALA 88 -2.061 19.755 4.745 706 3HB ALA 88 3HB ALA 88 -2.278 18.198 5.544 707 H GLY 89 H GLY 89 -3.619 15.793 3.555 708 1HA GLY 89 2HA GLY 89 -2.479 13.825 3.265 709 2HA GLY 89 1HA GLY 89 -1.476 14.717 2.131 710 H SER 90 H SER 90 -1.787 15.405 5.569 711 HA SER 90 HA SER 90 1.084 15.198 5.867 712 1HB SER 90 2HB SER 90 0.775 16.213 8.021 713 2HB SER 90 1HB SER 90 -0.280 17.054 6.885 714 HG SER 90 HG SER 90 -1.942 15.511 7.660 715 H ASP 91 H ASP 91 -1.730 13.318 6.622 716 HA ASP 91 HA ASP 91 -0.036 11.427 8.122 717 1HB ASP 91 2HB ASP 91 -2.809 12.379 8.558 718 2HB ASP 91 1HB ASP 91 -2.527 10.662 8.828 719 HA PRO 92 HA PRO 92 -1.127 9.387 4.087 720 1HB PRO 92 2HB PRO 92 1.362 7.946 4.813 721 2HB PRO 92 1HB PRO 92 0.892 8.676 3.276 722 1HG PRO 92 2HG PRO 92 2.735 9.820 4.830 723 2HG PRO 92 1HG PRO 92 1.565 10.795 3.921 724 1HD PRO 92 2HD PRO 92 1.601 10.098 6.830 725 2HD PRO 92 1HD PRO 92 1.150 11.623 6.039 726 H LEU 93 H LEU 93 0.192 7.913 7.045 727 HA LEU 93 HA LEU 93 -0.793 5.326 6.633 728 1HB LEU 93 2HB LEU 93 0.875 6.232 8.392 729 2HB LEU 93 1HB LEU 93 -0.551 6.559 9.358 730 HG LEU 93 HG LEU 93 -0.719 3.869 8.424 731 1HD1 LEU 93 1HD1 LEU 93 1.588 3.685 8.105 732 2HD1 LEU 93 2HD1 LEU 93 1.317 3.044 9.725 733 3HD1 LEU 93 3HD1 LEU 93 1.955 4.674 9.517 734 1HD2 LEU 93 1HD2 LEU 93 -1.811 4.624 10.415 735 2HD2 LEU 93 2HD2 LEU 93 -0.275 5.113 11.132 736 3HD2 LEU 93 3HD2 LEU 93 -0.622 3.403 10.873 737 H GLY 94 H GLY 94 -2.286 8.185 8.038 738 1HA GLY 94 2HA GLY 94 -4.573 6.882 9.096 739 2HA GLY 94 1HA GLY 94 -4.431 8.598 8.752 740 H LEU 95 H LEU 95 -3.941 8.454 5.985 741 HA LEU 95 HA LEU 95 -6.560 8.334 4.988 742 1HB LEU 95 2HB LEU 95 -3.876 8.398 3.628 743 2HB LEU 95 1HB LEU 95 -5.379 8.395 2.725 744 HG LEU 95 HG LEU 95 -5.299 10.458 4.796 745 1HD1 LEU 95 1HD1 LEU 95 -3.411 10.768 2.474 746 2HD1 LEU 95 2HD1 LEU 95 -2.890 10.326 4.099 747 3HD1 LEU 95 3HD1 LEU 95 -3.674 11.880 3.817 748 1HD2 LEU 95 1HD2 LEU 95 -6.034 10.202 1.913 749 2HD2 LEU 95 2HD2 LEU 95 -5.826 11.802 2.627 750 3HD2 LEU 95 3HD2 LEU 95 -7.026 10.690 3.287 751 H ILE 96 H ILE 96 -3.870 6.040 4.754 752 HA ILE 96 HA ILE 96 -5.210 4.187 3.081 753 HB ILE 96 HB ILE 96 -2.960 3.612 5.010 754 1HG1 ILE 96 2HG1 ILE 96 -2.430 5.492 3.492 755 2HG1 ILE 96 1HG1 ILE 96 -1.445 4.072 3.155 756 1HG2 ILE 96 1HG2 ILE 96 -2.773 1.577 4.088 757 2HG2 ILE 96 2HG2 ILE 96 -3.110 2.171 2.463 758 3HG2 ILE 96 3HG2 ILE 96 -4.439 1.835 3.573 759 1HD1 ILE 96 1HD1 ILE 96 -2.213 3.914 1.077 760 2HD1 ILE 96 2HD1 ILE 96 -2.849 5.542 1.318 761 3HD1 ILE 96 3HD1 ILE 96 -3.888 4.142 1.587 762 H ALA 97 H ALA 97 -4.852 4.455 6.590 763 HA ALA 97 HA ALA 97 -5.951 2.022 7.355 764 1HB ALA 97 1HB ALA 97 -6.328 4.621 8.829 765 2HB ALA 97 2HB ALA 97 -4.832 3.689 8.846 766 3HB ALA 97 3HB ALA 97 -6.313 2.991 9.504 767 H TYR 98 H TYR 98 -7.596 5.113 6.743 768 HA TYR 98 HA TYR 98 -10.193 4.135 7.343 769 1HB TYR 98 2HB TYR 98 -9.214 6.604 7.078 770 2HB TYR 98 1HB TYR 98 -9.859 6.411 5.451 771 HD1 TYR 98 1HD TYR 98 -11.139 5.292 8.777 772 HD2 TYR 98 2HD TYR 98 -11.807 7.651 5.301 773 HE1 TYR 98 1HE TYR 98 -13.380 5.870 9.607 774 HE2 TYR 98 2HE TYR 98 -14.050 8.236 6.120 775 HH TYR 98 HH TYR 98 -15.071 7.554 9.325 776 H LEU 99 H LEU 99 -8.339 4.462 4.355 777 HA LEU 99 HA LEU 99 -10.403 3.811 2.562 778 1HB LEU 99 2HB LEU 99 -7.458 3.941 2.482 779 2HB LEU 99 1HB LEU 99 -8.190 2.878 1.296 780 HG LEU 99 HG LEU 99 -7.792 5.117 0.387 781 1HD1 LEU 99 1HD1 LEU 99 -9.968 3.590 0.014 782 2HD1 LEU 99 2HD1 LEU 99 -9.681 5.103 -0.846 783 3HD1 LEU 99 3HD1 LEU 99 -10.734 5.079 0.567 784 1HD2 LEU 99 1HD2 LEU 99 -8.017 6.829 1.804 785 2HD2 LEU 99 2HD2 LEU 99 -9.066 5.910 2.884 786 3HD2 LEU 99 3HD2 LEU 99 -9.746 6.722 1.474 787 H SER 100 H SER 100 -8.284 1.829 4.516 788 HA SER 100 HA SER 100 -8.765 -0.635 3.218 789 1HB SER 100 2HB SER 100 -7.048 0.151 5.151 790 2HB SER 100 1HB SER 100 -8.251 -0.680 6.136 791 HG SER 100 HG SER 100 -6.325 -1.758 4.705 792 H HIS 101 H HIS 101 -10.398 1.060 5.841 793 HA HIS 101 HA HIS 101 -12.147 -1.069 6.532 794 1HB HIS 101 2HB HIS 101 -11.527 1.088 7.860 795 2HB HIS 101 1HB HIS 101 -12.843 1.821 6.952 796 HD1 HIS 101 1HD HIS 101 -13.787 -1.571 7.523 797 HD2 HIS 101 2HD HIS 101 -13.766 1.888 9.825 798 HE1 HIS 101 1HE HIS 101 -15.376 -2.017 9.419 799 HE2 HIS 101 2HE HIS 101 -15.413 0.121 10.751 800 H PHE 102 H PHE 102 -12.496 1.782 4.449 801 HA PHE 102 HA PHE 102 -15.192 1.395 3.771 802 1HB PHE 102 2HB PHE 102 -13.009 3.094 2.922 803 2HB PHE 102 1HB PHE 102 -13.965 2.571 1.539 804 HD1 PHE 102 1HD PHE 102 -14.602 3.742 5.030 805 HD2 PHE 102 2HD PHE 102 -15.634 3.998 0.909 806 HE1 PHE 102 1HE PHE 102 -16.296 5.446 5.562 807 HE2 PHE 102 2HE PHE 102 -17.330 5.701 1.434 808 HZ PHE 102 HZ PHE 102 -17.661 6.429 3.764 809 H HIS 103 H HIS 103 -12.232 0.041 2.465 810 HA HIS 103 HA HIS 103 -13.273 -1.035 0.089 811 1HB HIS 103 2HB HIS 103 -10.838 -0.829 0.695 812 2HB HIS 103 1HB HIS 103 -11.047 -2.220 1.755 813 HD1 HIS 103 1HD HIS 103 -11.921 -4.464 0.449 814 HD2 HIS 103 2HD HIS 103 -10.178 -1.476 -1.854 815 HE1 HIS 103 1HE HIS 103 -11.274 -5.573 -1.712 816 HE2 HIS 103 2HE HIS 103 -10.293 -3.729 -3.120 817 H SER 104 H SER 104 -13.037 -2.376 3.356 818 HA SER 104 HA SER 104 -13.984 -4.955 2.739 819 1HB SER 104 2HB SER 104 -14.201 -5.285 5.085 820 2HB SER 104 1HB SER 104 -12.825 -4.201 4.878 821 HG SER 104 HG SER 104 -15.432 -3.609 5.774 822 H ALA 105 H ALA 105 -15.651 -1.995 3.719 823 HA ALA 105 HA ALA 105 -18.219 -3.140 3.993 824 1HB ALA 105 1HB ALA 105 -18.817 -0.592 3.420 825 2HB ALA 105 2HB ALA 105 -17.110 -0.407 3.825 826 3HB ALA 105 3HB ALA 105 -18.222 -1.112 4.997 827 H PHE 106 H PHE 106 -16.547 -1.639 1.263 828 HA PHE 106 HA PHE 106 -18.748 -1.613 -0.503 829 1HB PHE 106 2HB PHE 106 -15.773 -1.463 -0.851 830 2HB PHE 106 1HB PHE 106 -16.817 -1.611 -2.260 831 HD1 PHE 106 1HD PHE 106 -17.389 0.285 0.887 832 HD2 PHE 106 2HD PHE 106 -16.663 0.448 -3.301 833 HE1 PHE 106 1HE PHE 106 -17.776 2.714 0.919 834 HE2 PHE 106 2HE PHE 106 -17.048 2.879 -3.279 835 HZ PHE 106 HZ PHE 106 -17.607 4.014 -1.165 836 H LYS 107 H LYS 107 -16.271 -4.018 0.202 837 HA LYS 107 HA LYS 107 -16.774 -5.778 -1.914 838 1HB LYS 107 2HB LYS 107 -14.904 -5.768 -0.080 839 2HB LYS 107 1HB LYS 107 -16.026 -6.793 0.803 840 1HG LYS 107 2HG LYS 107 -14.558 -8.240 -0.334 841 2HG LYS 107 1HG LYS 107 -16.082 -8.286 -1.225 842 1HD LYS 107 2HD LYS 107 -15.021 -6.425 -2.672 843 2HD LYS 107 1HD LYS 107 -13.496 -6.966 -1.969 844 1HE LYS 107 2HE LYS 107 -13.807 -9.177 -2.839 845 2HE LYS 107 1HE LYS 107 -15.443 -8.789 -3.370 846 1HZ LYS 107 1HZ LYS 107 -13.074 -7.353 -4.408 847 2HZ LYS 107 2HZ LYS 107 -14.633 -7.406 -5.059 848 3HZ LYS 107 3HZ LYS 107 -13.644 -8.776 -5.123 849 H SER 108 H SER 108 -18.458 -5.252 1.096 850 HA SER 108 HA SER 108 -20.177 -7.572 0.613 851 1HB SER 108 2HB SER 108 -19.502 -5.923 2.990 852 2HB SER 108 1HB SER 108 -21.135 -6.582 2.920 853 HG SER 108 HG SER 108 -18.696 -8.024 2.782 854 H MET 109 H MET 109 -20.819 -4.291 1.845 855 HA MET 109 HA MET 109 -23.473 -4.209 0.957 856 1HB MET 109 2HB MET 109 -22.001 -2.645 2.577 857 2HB MET 109 1HB MET 109 -21.992 -1.644 1.132 858 1HG MET 109 2HG MET 109 -24.504 -2.723 2.377 859 2HG MET 109 1HG MET 109 -23.809 -1.156 2.785 860 1HE MET 109 1HE MET 109 -26.797 -0.625 1.691 861 2HE MET 109 2HE MET 109 -26.169 0.742 0.769 862 3HE MET 109 3HE MET 109 -25.449 0.322 2.324 Start of MODEL 9 1 1H MET -8 1HT MET -8 30.853 -4.711 12.042 2 2H MET -8 2HT MET -8 30.328 -4.923 13.663 3 3H MET -8 3HT MET -8 29.639 -3.688 12.688 4 HA MET -8 HA MET -8 28.923 -5.518 11.162 5 1HB MET -8 2HB MET -8 30.100 -6.961 13.462 6 2HB MET -8 1HB MET -8 28.556 -7.578 12.889 7 1HG MET -8 2HG MET -8 30.777 -7.051 10.964 8 2HG MET -8 1HG MET -8 30.755 -8.530 11.923 9 1HE MET -8 1HE MET -8 30.790 -7.835 8.892 10 2HE MET -8 2HE MET -8 29.430 -8.482 7.976 11 3HE MET -8 3HE MET -8 30.514 -9.575 8.832 12 H GLY -7 H GLY -7 26.773 -5.318 11.061 13 1HA GLY -7 2HA GLY -7 25.208 -5.211 13.529 14 2HA GLY -7 1HA GLY -7 25.147 -3.802 12.482 15 H HIS -6 H HIS -6 22.894 -4.121 12.211 16 HA HIS -6 HA HIS -6 22.272 -6.234 10.264 17 1HB HIS -6 2HB HIS -6 20.475 -5.354 12.533 18 2HB HIS -6 1HB HIS -6 20.069 -6.540 11.296 19 HD1 HIS -6 1HD HIS -6 21.996 -6.108 14.451 20 HD2 HIS -6 2HD HIS -6 21.302 -9.058 11.609 21 HE1 HIS -6 1HE HIS -6 22.838 -8.242 15.480 22 HE2 HIS -6 2HE HIS -6 22.476 -10.000 13.713 23 H HIS -5 H HIS -5 22.184 -4.992 8.463 24 HA HIS -5 HA HIS -5 21.074 -2.377 8.389 25 1HB HIS -5 2HB HIS -5 21.276 -2.602 5.935 26 2HB HIS -5 1HB HIS -5 22.755 -3.068 6.768 27 HD1 HIS -5 1HD HIS -5 20.095 -4.369 4.549 28 HD2 HIS -5 2HD HIS -5 23.306 -5.864 6.721 29 HE1 HIS -5 1HE HIS -5 20.469 -6.697 3.678 30 HE2 HIS -5 2HE HIS -5 22.359 -7.614 5.068 31 H HIS -4 H HIS -4 19.280 -1.849 6.773 32 HA HIS -4 HA HIS -4 17.168 -3.857 6.683 33 1HB HIS -4 2HB HIS -4 15.515 -2.191 7.591 34 2HB HIS -4 1HB HIS -4 16.670 -2.798 8.774 35 HD1 HIS -4 1HD HIS -4 18.766 -1.110 9.228 36 HD2 HIS -4 2HD HIS -4 15.379 0.516 7.455 37 HE1 HIS -4 1HE HIS -4 18.965 1.375 9.555 38 HE2 HIS -4 2HE HIS -4 16.947 2.344 8.398 39 H HIS -3 H HIS -3 17.149 -3.890 4.481 40 HA HIS -3 HA HIS -3 16.783 -1.346 3.067 41 1HB HIS -3 2HB HIS -3 18.398 -3.530 2.503 42 2HB HIS -3 1HB HIS -3 17.047 -3.717 1.389 43 HD1 HIS -3 1HD HIS -3 19.496 -0.994 2.428 44 HD2 HIS -3 2HD HIS -3 17.336 -2.276 -0.881 45 HE1 HIS -3 1HE HIS -3 20.211 0.503 0.539 46 HE2 HIS -3 2HE HIS -3 18.822 -0.231 -1.431 47 H HIS -2 H HIS -2 15.191 -1.237 1.346 48 HA HIS -2 HA HIS -2 13.121 -3.200 1.164 49 1HB HIS -2 2HB HIS -2 11.297 -1.707 1.995 50 2HB HIS -2 1HB HIS -2 12.396 -2.254 3.257 51 HD1 HIS -2 1HD HIS -2 13.909 -0.477 4.366 52 HD2 HIS -2 2HD HIS -2 11.348 1.044 1.469 53 HE1 HIS -2 1HE HIS -2 13.976 2.019 4.655 54 HE2 HIS -2 2HE HIS -2 12.483 2.923 2.836 55 H HIS -1 H HIS -1 12.116 -3.041 -0.753 56 HA HIS -1 HA HIS -1 12.320 -0.497 -2.219 57 1HB HIS -1 2HB HIS -1 13.944 -2.313 -2.980 58 2HB HIS -1 1HB HIS -1 12.530 -3.198 -3.542 59 HD1 HIS -1 1HD HIS -1 13.389 0.489 -3.926 60 HD2 HIS -1 2HD HIS -1 12.564 -2.870 -6.228 61 HE1 HIS -1 1HE HIS -1 13.342 1.301 -6.306 62 HE2 HIS -1 2HE HIS -1 12.769 -0.735 -7.674 63 H MET 0 H MET 0 10.802 -3.694 -2.667 64 HA MET 0 HA MET 0 8.331 -2.339 -3.469 65 1HB MET 0 2HB MET 0 9.580 -4.951 -4.071 66 2HB MET 0 1HB MET 0 7.829 -4.963 -3.917 67 1HG MET 0 2HG MET 0 9.271 -3.017 -5.687 68 2HG MET 0 1HG MET 0 8.786 -4.621 -6.236 69 1HE MET 0 1HE MET 0 8.088 -1.156 -6.252 70 2HE MET 0 2HE MET 0 7.239 -1.170 -4.706 71 3HE MET 0 3HE MET 0 6.343 -0.901 -6.201 72 H GLY 1 H GLY 1 6.400 -2.629 -2.422 73 1HA GLY 1 2HA GLY 1 5.447 -4.474 -0.754 74 2HA GLY 1 1HA GLY 1 6.588 -3.649 0.299 75 H SER 2 H SER 2 6.277 -1.032 -0.424 76 HA SER 2 HA SER 2 3.600 -0.491 0.608 77 1HB SER 2 2HB SER 2 6.007 1.317 0.291 78 2HB SER 2 1HB SER 2 4.471 1.801 1.007 79 HG SER 2 HG SER 2 4.868 -0.048 2.489 80 H ALA 3 H ALA 3 5.656 0.216 -2.159 81 HA ALA 3 HA ALA 3 3.791 1.998 -3.404 82 1HB ALA 3 1HB ALA 3 5.845 2.481 -4.222 83 2HB ALA 3 2HB ALA 3 5.382 1.294 -5.442 84 3HB ALA 3 3HB ALA 3 6.410 0.815 -4.092 85 H GLY 4 H GLY 4 4.455 -1.443 -3.542 86 1HA GLY 4 2HA GLY 4 3.000 -2.020 -5.897 87 2HA GLY 4 1HA GLY 4 3.402 -3.170 -4.630 88 H THR 5 H THR 5 2.043 -1.893 -2.496 89 HA THR 5 HA THR 5 -0.643 -2.776 -3.088 90 HB THR 5 HB THR 5 0.431 -3.368 -0.956 91 HG1 THR 5 1HG THR 5 -1.788 -1.636 -0.627 92 1HG2 THR 5 1HG2 THR 5 1.475 -0.924 -0.823 93 2HG2 THR 5 2HG2 THR 5 1.200 -1.930 0.599 94 3HG2 THR 5 3HG2 THR 5 0.042 -0.670 0.172 95 H GLN 6 H GLN 6 1.023 0.247 -2.441 96 HA GLN 6 HA GLN 6 -1.221 1.891 -2.061 97 1HB GLN 6 2HB GLN 6 1.628 2.308 -2.777 98 2HB GLN 6 1HB GLN 6 0.523 3.623 -3.147 99 1HG GLN 6 2HG GLN 6 -0.024 3.956 -0.909 100 2HG GLN 6 1HG GLN 6 0.583 2.371 -0.428 101 1HE2 GLN 6 1HE2 GLN 6 1.686 5.417 -1.867 102 2HE2 GLN 6 2HE2 GLN 6 3.215 5.442 -1.064 103 H GLU 7 H GLU 7 0.541 0.987 -4.998 104 HA GLU 7 HA GLU 7 -0.875 2.640 -6.778 105 1HB GLU 7 2HB GLU 7 0.731 0.128 -7.098 106 2HB GLU 7 1HB GLU 7 -0.149 0.790 -8.468 107 1HG GLU 7 2HG GLU 7 1.211 2.960 -7.384 108 2HG GLU 7 1HG GLU 7 2.356 1.619 -7.311 109 H GLU 8 H GLU 8 -1.408 -0.716 -5.769 110 HA GLU 8 HA GLU 8 -3.601 -1.231 -7.454 111 1HB GLU 8 2HB GLU 8 -3.175 -2.461 -4.736 112 2HB GLU 8 1HB GLU 8 -3.990 -3.169 -6.123 113 1HG GLU 8 2HG GLU 8 -1.277 -2.455 -6.774 114 2HG GLU 8 1HG GLU 8 -1.337 -3.513 -5.365 115 H LEU 9 H LEU 9 -3.389 0.101 -4.192 116 HA LEU 9 HA LEU 9 -6.120 0.111 -3.578 117 1HB LEU 9 2HB LEU 9 -3.860 1.897 -2.698 118 2HB LEU 9 1HB LEU 9 -5.486 2.054 -2.061 119 HG LEU 9 HG LEU 9 -3.891 -0.497 -1.881 120 1HD1 LEU 9 1HD1 LEU 9 -3.530 0.160 0.493 121 2HD1 LEU 9 2HD1 LEU 9 -4.128 1.769 0.089 122 3HD1 LEU 9 3HD1 LEU 9 -2.657 1.157 -0.670 123 1HD2 LEU 9 1HD2 LEU 9 -6.553 0.418 -0.976 124 2HD2 LEU 9 2HD2 LEU 9 -5.621 -0.562 0.156 125 3HD2 LEU 9 3HD2 LEU 9 -6.002 -1.191 -1.446 126 H LEU 10 H LEU 10 -4.111 2.468 -5.276 127 HA LEU 10 HA LEU 10 -6.051 4.494 -5.513 128 1HB LEU 10 2HB LEU 10 -3.443 3.860 -6.717 129 2HB LEU 10 1HB LEU 10 -4.502 4.812 -7.742 130 HG LEU 10 HG LEU 10 -3.014 6.248 -6.460 131 1HD1 LEU 10 1HD1 LEU 10 -4.581 7.825 -6.093 132 2HD1 LEU 10 2HD1 LEU 10 -5.562 6.771 -5.076 133 3HD1 LEU 10 3HD1 LEU 10 -5.649 6.632 -6.832 134 1HD2 LEU 10 1HD2 LEU 10 -2.574 6.012 -4.279 135 2HD2 LEU 10 2HD2 LEU 10 -3.311 4.418 -4.445 136 3HD2 LEU 10 3HD2 LEU 10 -4.273 5.778 -3.867 137 H ARG 11 H ARG 11 -5.233 1.740 -7.565 138 HA ARG 11 HA ARG 11 -6.862 2.359 -9.755 139 1HB ARG 11 2HB ARG 11 -6.128 -0.373 -8.687 140 2HB ARG 11 1HB ARG 11 -6.739 -0.032 -10.300 141 1HG ARG 11 2HG ARG 11 -4.266 1.341 -9.368 142 2HG ARG 11 1HG ARG 11 -4.183 -0.347 -9.878 143 1HD ARG 11 2HD ARG 11 -5.191 0.264 -12.030 144 2HD ARG 11 1HD ARG 11 -5.250 1.951 -11.518 145 HE ARG 11 HE ARG 11 -2.636 1.325 -11.251 146 1HH1 ARG 11 1HH1 ARG 11 -4.908 0.973 -13.876 147 2HH1 ARG 11 2HH1 ARG 11 -3.703 1.140 -15.108 148 1HH2 ARG 11 1HH2 ARG 11 -1.048 1.546 -12.869 149 2HH2 ARG 11 2HH2 ARG 11 -1.511 1.465 -14.537 150 H TRP 12 H TRP 12 -7.568 0.623 -6.760 151 HA TRP 12 HA TRP 12 -10.196 -0.159 -7.468 152 1HB TRP 12 2HB TRP 12 -8.965 -1.272 -5.675 153 2HB TRP 12 1HB TRP 12 -8.943 0.218 -4.740 154 HD1 TRP 12 HD TRP 12 -11.384 -2.508 -5.937 155 HE1 TRP 12 1HE TRP 12 -13.435 -2.496 -4.383 156 HE3 TRP 12 3HE TRP 12 -10.254 1.615 -3.133 157 HZ2 TRP 12 2HZ TRP 12 -14.441 -0.944 -2.249 158 HZ3 TRP 12 3HZ TRP 12 -11.813 2.296 -1.356 159 HH2 TRP 12 HH TRP 12 -13.863 1.042 -0.925 160 H CYS 13 H CYS 13 -8.892 2.632 -5.727 161 HA CYS 13 HA CYS 13 -11.360 3.745 -4.959 162 1HB CYS 13 2HB CYS 13 -8.764 5.191 -5.514 163 2HB CYS 13 1HB CYS 13 -10.115 5.805 -4.568 164 HG CYS 13 HG CYS 13 -9.131 3.285 -3.305 165 H GLN 14 H GLN 14 -9.311 4.337 -7.802 166 HA GLN 14 HA GLN 14 -10.882 6.369 -8.934 167 1HB GLN 14 2HB GLN 14 -9.714 5.843 -11.039 168 2HB GLN 14 1HB GLN 14 -8.606 5.952 -9.678 169 1HG GLN 14 2HG GLN 14 -8.373 3.595 -9.571 170 2HG GLN 14 1HG GLN 14 -9.689 3.352 -10.719 171 1HE2 GLN 14 1HE2 GLN 14 -6.770 5.373 -10.641 172 2HE2 GLN 14 2HE2 GLN 14 -6.175 4.869 -12.184 173 H GLU 15 H GLU 15 -11.098 2.867 -9.120 174 HA GLU 15 HA GLU 15 -12.961 2.742 -11.244 175 1HB GLU 15 2HB GLU 15 -11.558 0.906 -9.700 176 2HB GLU 15 1HB GLU 15 -13.240 0.597 -9.292 177 1HG GLU 15 2HG GLU 15 -13.779 -0.070 -11.418 178 2HG GLU 15 1HG GLU 15 -12.469 0.850 -12.157 179 H GLN 16 H GLN 16 -13.353 2.764 -7.719 180 HA GLN 16 HA GLN 16 -16.208 2.642 -7.829 181 1HB GLN 16 2HB GLN 16 -14.235 3.233 -5.632 182 2HB GLN 16 1HB GLN 16 -15.970 3.344 -5.370 183 1HG GLN 16 2HG GLN 16 -14.718 0.858 -6.473 184 2HG GLN 16 1HG GLN 16 -14.780 1.171 -4.739 185 1HE2 GLN 16 1HE2 GLN 16 -17.009 1.811 -3.941 186 2HE2 GLN 16 2HE2 GLN 16 -18.335 0.888 -4.556 187 H THR 17 H THR 17 -13.839 5.189 -7.856 188 HA THR 17 HA THR 17 -15.817 7.249 -7.317 189 HB THR 17 HB THR 17 -13.849 8.793 -7.673 190 HG1 THR 17 1HG THR 17 -12.208 7.930 -8.612 191 1HG2 THR 17 1HG2 THR 17 -13.638 8.655 -5.482 192 2HG2 THR 17 2HG2 THR 17 -12.591 7.251 -5.687 193 3HG2 THR 17 3HG2 THR 17 -14.330 7.033 -5.492 194 H ALA 18 H ALA 18 -15.350 5.441 -9.915 195 HA ALA 18 HA ALA 18 -15.106 7.466 -11.953 196 1HB ALA 18 1HB ALA 18 -15.142 4.555 -11.843 197 2HB ALA 18 2HB ALA 18 -14.332 5.636 -12.975 198 3HB ALA 18 3HB ALA 18 -16.026 5.207 -13.222 199 H GLY 19 H GLY 19 -16.710 8.637 -12.783 200 1HA GLY 19 2HA GLY 19 -19.086 8.132 -13.750 201 2HA GLY 19 1HA GLY 19 -19.462 7.944 -12.045 202 H TYR 20 H TYR 20 -17.481 10.113 -11.387 203 HA TYR 20 HA TYR 20 -19.334 12.317 -11.783 204 1HB TYR 20 2HB TYR 20 -16.781 12.395 -10.186 205 2HB TYR 20 1HB TYR 20 -18.191 13.436 -10.029 206 HD1 TYR 20 1HD TYR 20 -19.937 12.876 -8.551 207 HD2 TYR 20 2HD TYR 20 -17.001 9.959 -9.527 208 HE1 TYR 20 1HE TYR 20 -20.830 11.399 -6.800 209 HE2 TYR 20 2HE TYR 20 -17.885 8.473 -7.781 210 HH TYR 20 HH TYR 20 -20.150 8.173 -6.594 211 HA PRO 21 HA PRO 21 -16.912 13.803 -15.257 212 1HB PRO 21 2HB PRO 21 -18.438 16.294 -14.783 213 2HB PRO 21 1HB PRO 21 -18.313 15.313 -16.246 214 1HG PRO 21 2HG PRO 21 -20.545 15.326 -14.776 215 2HG PRO 21 1HG PRO 21 -19.966 13.846 -15.565 216 1HD PRO 21 2HD PRO 21 -19.765 14.672 -12.696 217 2HD PRO 21 1HD PRO 21 -20.104 13.071 -13.390 218 H GLY 22 H GLY 22 -14.868 14.022 -14.347 219 1HA GLY 22 2HA GLY 22 -13.276 15.936 -14.212 220 2HA GLY 22 1HA GLY 22 -14.358 16.600 -12.996 221 H VAL 23 H VAL 23 -14.528 13.470 -12.302 222 HA VAL 23 HA VAL 23 -12.685 13.700 -10.111 223 HB VAL 23 HB VAL 23 -14.857 12.597 -9.816 224 1HG1 VAL 23 1HG1 VAL 23 -14.038 10.097 -11.120 225 2HG1 VAL 23 2HG1 VAL 23 -14.406 11.425 -12.222 226 3HG1 VAL 23 3HG1 VAL 23 -15.615 10.883 -11.056 227 1HG2 VAL 23 1HG2 VAL 23 -12.498 11.874 -8.713 228 2HG2 VAL 23 2HG2 VAL 23 -13.038 10.328 -9.365 229 3HG2 VAL 23 3HG2 VAL 23 -14.059 11.211 -8.230 230 H HIS 24 H HIS 24 -10.626 13.174 -10.161 231 HA HIS 24 HA HIS 24 -9.736 10.996 -11.921 232 1HB HIS 24 2HB HIS 24 -8.857 13.813 -11.906 233 2HB HIS 24 1HB HIS 24 -7.554 12.629 -11.920 234 HD1 HIS 24 1HD HIS 24 -8.462 10.543 -13.822 235 HD2 HIS 24 2HD HIS 24 -9.213 14.579 -14.466 236 HE1 HIS 24 1HE HIS 24 -8.846 10.768 -16.297 237 HE2 HIS 24 2HE HIS 24 -9.377 13.206 -16.653 238 H VAL 25 H VAL 25 -10.128 10.072 -9.638 239 HA VAL 25 HA VAL 25 -8.293 10.653 -7.564 240 HB VAL 25 HB VAL 25 -9.748 8.043 -7.986 241 1HG1 VAL 25 1HG1 VAL 25 -7.931 8.159 -6.257 242 2HG1 VAL 25 2HG1 VAL 25 -9.527 7.732 -5.637 243 3HG1 VAL 25 3HG1 VAL 25 -8.903 9.366 -5.417 244 1HG2 VAL 25 1HG2 VAL 25 -10.702 10.614 -6.737 245 2HG2 VAL 25 2HG2 VAL 25 -11.499 9.056 -6.512 246 3HG2 VAL 25 3HG2 VAL 25 -11.394 9.769 -8.121 247 H SER 26 H SER 26 -6.190 10.623 -8.314 248 HA SER 26 HA SER 26 -5.046 7.970 -8.641 249 1HB SER 26 2HB SER 26 -5.584 9.328 -10.919 250 2HB SER 26 1HB SER 26 -3.973 9.952 -10.560 251 HG SER 26 HG SER 26 -3.378 7.655 -10.321 252 H ASP 27 H ASP 27 -5.062 10.323 -6.733 253 HA ASP 27 HA ASP 27 -2.161 10.398 -6.345 254 1HB ASP 27 2HB ASP 27 -3.904 12.851 -6.043 255 2HB ASP 27 1HB ASP 27 -2.153 12.762 -5.872 256 H LEU 28 H LEU 28 -1.503 10.415 -4.210 257 HA LEU 28 HA LEU 28 -3.610 9.807 -2.275 258 1HB LEU 28 2HB LEU 28 -0.707 9.182 -2.498 259 2HB LEU 28 1HB LEU 28 -1.405 9.273 -0.891 260 HG LEU 28 HG LEU 28 -2.664 7.547 -2.996 261 1HD1 LEU 28 1HD1 LEU 28 -1.247 5.754 -1.608 262 2HD1 LEU 28 2HD1 LEU 28 -0.118 7.108 -1.563 263 3HD1 LEU 28 3HD1 LEU 28 -0.677 6.476 -3.113 264 1HD2 LEU 28 1HD2 LEU 28 -3.856 8.063 -0.877 265 2HD2 LEU 28 2HD2 LEU 28 -2.535 7.290 0.003 266 3HD2 LEU 28 3HD2 LEU 28 -3.527 6.345 -1.110 267 H SER 29 H SER 29 -3.323 12.515 -3.035 268 HA SER 29 HA SER 29 -2.987 13.693 -0.439 269 1HB SER 29 2HB SER 29 -0.885 13.986 -2.511 270 2HB SER 29 1HB SER 29 -1.355 15.457 -1.659 271 HG SER 29 HG SER 29 -0.958 14.289 0.310 272 H SER 30 H SER 30 -2.596 15.129 -3.665 273 HA SER 30 HA SER 30 -4.396 17.224 -3.195 274 1HB SER 30 2HB SER 30 -2.592 17.134 -4.968 275 2HB SER 30 1HB SER 30 -3.679 16.121 -5.916 276 HG SER 30 HG SER 30 -5.220 17.883 -5.723 277 H SER 31 H SER 31 -4.845 14.123 -4.847 278 HA SER 31 HA SER 31 -7.395 14.490 -5.852 279 1HB SER 31 2HB SER 31 -5.646 12.253 -5.329 280 2HB SER 31 1HB SER 31 -7.317 11.820 -4.970 281 HG SER 31 HG SER 31 -6.491 13.064 -7.381 282 H TRP 32 H TRP 32 -6.405 14.035 -2.557 283 HA TRP 32 HA TRP 32 -9.183 13.608 -1.721 284 1HB TRP 32 2HB TRP 32 -6.703 13.481 -0.004 285 2HB TRP 32 1HB TRP 32 -8.316 12.904 0.405 286 HD1 TRP 32 HD TRP 32 -5.487 12.094 -2.120 287 HE1 TRP 32 1HE TRP 32 -5.568 9.570 -2.618 288 HE3 TRP 32 3HE TRP 32 -9.650 10.864 0.584 289 HZ2 TRP 32 2HZ TRP 32 -7.183 7.352 -1.955 290 HZ3 TRP 32 3HZ TRP 32 -10.395 8.519 0.597 291 HH2 TRP 32 HH TRP 32 -9.186 6.801 -0.646 292 H ALA 33 H ALA 33 -7.204 16.164 -2.287 293 HA ALA 33 HA ALA 33 -7.323 17.798 -0.057 294 1HB ALA 33 1HB ALA 33 -7.354 19.692 -1.790 295 2HB ALA 33 2HB ALA 33 -7.298 18.403 -2.993 296 3HB ALA 33 3HB ALA 33 -5.997 18.565 -1.813 297 H ASP 34 H ASP 34 -9.597 17.882 -2.816 298 HA ASP 34 HA ASP 34 -11.479 19.458 -1.313 299 1HB ASP 34 2HB ASP 34 -12.916 19.183 -3.356 300 2HB ASP 34 1HB ASP 34 -11.334 19.890 -3.667 301 H GLY 35 H GLY 35 -10.744 16.229 -1.250 302 1HA GLY 35 2HA GLY 35 -11.800 14.480 -0.192 303 2HA GLY 35 1HA GLY 35 -13.104 15.582 0.219 304 H LEU 36 H LEU 36 -12.003 14.944 -3.054 305 HA LEU 36 HA LEU 36 -14.660 14.283 -3.884 306 1HB LEU 36 2HB LEU 36 -12.114 14.891 -5.140 307 2HB LEU 36 1HB LEU 36 -12.941 13.579 -5.956 308 HG LEU 36 HG LEU 36 -13.443 15.779 -6.946 309 1HD1 LEU 36 1HD1 LEU 36 -16.036 15.037 -5.760 310 2HD1 LEU 36 2HD1 LEU 36 -15.140 13.731 -6.536 311 3HD1 LEU 36 3HD1 LEU 36 -15.556 15.180 -7.451 312 1HD2 LEU 36 1HD2 LEU 36 -13.896 17.558 -5.700 313 2HD2 LEU 36 2HD2 LEU 36 -13.673 16.573 -4.254 314 3HD2 LEU 36 3HD2 LEU 36 -15.277 16.740 -4.969 315 H ALA 37 H ALA 37 -11.650 12.454 -3.465 316 HA ALA 37 HA ALA 37 -12.582 10.005 -4.477 317 1HB ALA 37 1HB ALA 37 -10.565 9.183 -3.884 318 2HB ALA 37 2HB ALA 37 -10.632 9.889 -2.268 319 3HB ALA 37 3HB ALA 37 -10.182 10.888 -3.650 320 H LEU 38 H LEU 38 -12.488 11.250 -1.147 321 HA LEU 38 HA LEU 38 -13.639 8.956 0.041 322 1HB LEU 38 2HB LEU 38 -13.196 11.785 0.880 323 2HB LEU 38 1HB LEU 38 -14.282 10.790 1.833 324 HG LEU 38 HG LEU 38 -11.411 10.081 1.232 325 1HD1 LEU 38 1HD1 LEU 38 -11.023 11.767 2.684 326 2HD1 LEU 38 2HD1 LEU 38 -11.450 10.534 3.871 327 3HD1 LEU 38 3HD1 LEU 38 -12.654 11.713 3.354 328 1HD2 LEU 38 1HD2 LEU 38 -13.646 8.733 2.617 329 2HD2 LEU 38 2HD2 LEU 38 -12.069 8.658 3.403 330 3HD2 LEU 38 3HD2 LEU 38 -12.265 8.052 1.758 331 H CYS 39 H CYS 39 -15.017 12.036 -1.045 332 HA CYS 39 HA CYS 39 -17.663 11.547 -0.249 333 1HB CYS 39 2HB CYS 39 -16.347 13.368 -2.214 334 2HB CYS 39 1HB CYS 39 -18.094 13.183 -2.286 335 HG CYS 39 HG CYS 39 -16.693 14.954 -0.398 336 H ALA 40 H ALA 40 -16.017 10.956 -3.339 337 HA ALA 40 HA ALA 40 -18.178 10.034 -4.818 338 1HB ALA 40 1HB ALA 40 -15.246 9.704 -4.954 339 2HB ALA 40 2HB ALA 40 -16.386 10.263 -6.179 340 3HB ALA 40 3HB ALA 40 -16.214 8.537 -5.856 341 H LEU 41 H LEU 41 -16.077 8.280 -2.573 342 HA LEU 41 HA LEU 41 -17.074 5.700 -3.096 343 1HB LEU 41 2HB LEU 41 -15.797 6.890 -0.638 344 2HB LEU 41 1HB LEU 41 -16.201 5.190 -0.780 345 HG LEU 41 HG LEU 41 -14.314 6.642 -2.635 346 1HD1 LEU 41 1HD1 LEU 41 -13.697 4.823 -0.310 347 2HD1 LEU 41 2HD1 LEU 41 -13.422 6.566 -0.362 348 3HD1 LEU 41 3HD1 LEU 41 -12.525 5.498 -1.443 349 1HD2 LEU 41 1HD2 LEU 41 -15.402 4.688 -3.622 350 2HD2 LEU 41 2HD2 LEU 41 -14.882 3.704 -2.254 351 3HD2 LEU 41 3HD2 LEU 41 -13.685 4.397 -3.349 352 H VAL 42 H VAL 42 -17.911 8.007 -0.512 353 HA VAL 42 HA VAL 42 -19.922 6.481 0.688 354 HB VAL 42 HB VAL 42 -19.933 9.493 0.533 355 1HG1 VAL 42 1HG1 VAL 42 -21.911 8.388 1.520 356 2HG1 VAL 42 2HG1 VAL 42 -21.023 9.375 2.682 357 3HG1 VAL 42 3HG1 VAL 42 -20.857 7.619 2.707 358 1HG2 VAL 42 1HG2 VAL 42 -18.665 9.022 2.844 359 2HG2 VAL 42 2HG2 VAL 42 -17.817 9.293 1.322 360 3HG2 VAL 42 3HG2 VAL 42 -18.073 7.649 1.907 361 H TYR 43 H TYR 43 -20.183 9.023 -1.786 362 HA TYR 43 HA TYR 43 -22.942 9.026 -2.095 363 1HB TYR 43 2HB TYR 43 -21.388 10.676 -3.108 364 2HB TYR 43 1HB TYR 43 -20.880 9.453 -4.266 365 HD1 TYR 43 1HD TYR 43 -22.195 8.960 -6.189 366 HD2 TYR 43 2HD TYR 43 -23.719 11.546 -3.175 367 HE1 TYR 43 1HE TYR 43 -24.026 9.622 -7.690 368 HE2 TYR 43 2HE TYR 43 -25.555 12.215 -4.666 369 HH TYR 43 HH TYR 43 -26.766 11.233 -6.650 370 H ARG 44 H ARG 44 -20.515 6.907 -3.523 371 HA ARG 44 HA ARG 44 -22.180 5.623 -5.390 372 1HB ARG 44 2HB ARG 44 -19.499 5.409 -4.517 373 2HB ARG 44 1HB ARG 44 -20.204 3.807 -4.364 374 1HG ARG 44 2HG ARG 44 -20.883 5.097 -6.881 375 2HG ARG 44 1HG ARG 44 -19.145 4.908 -6.649 376 1HD ARG 44 2HD ARG 44 -19.364 2.796 -7.310 377 2HD ARG 44 1HD ARG 44 -20.258 2.486 -5.821 378 HE ARG 44 HE ARG 44 -22.154 3.462 -7.481 379 1HH1 ARG 44 1HH1 ARG 44 -19.798 0.908 -7.801 380 2HH1 ARG 44 2HH1 ARG 44 -20.781 -0.037 -8.869 381 1HH2 ARG 44 1HH2 ARG 44 -23.448 2.222 -8.886 382 2HH2 ARG 44 2HH2 ARG 44 -22.854 0.709 -9.485 383 H LEU 45 H LEU 45 -21.427 4.883 -2.010 384 HA LEU 45 HA LEU 45 -22.978 2.481 -1.965 385 1HB LEU 45 2HB LEU 45 -21.510 4.128 0.022 386 2HB LEU 45 1HB LEU 45 -22.772 3.077 0.634 387 HG LEU 45 HG LEU 45 -20.480 2.085 0.688 388 1HD1 LEU 45 1HD1 LEU 45 -22.705 0.810 0.503 389 2HD1 LEU 45 2HD1 LEU 45 -21.209 -0.060 0.168 390 3HD1 LEU 45 3HD1 LEU 45 -22.220 0.500 -1.164 391 1HD2 LEU 45 1HD2 LEU 45 -19.648 3.047 -1.400 392 2HD2 LEU 45 2HD2 LEU 45 -20.799 2.069 -2.311 393 3HD2 LEU 45 3HD2 LEU 45 -19.507 1.289 -1.399 394 H GLN 46 H GLN 46 -23.566 5.852 -1.194 395 HA GLN 46 HA GLN 46 -26.423 5.347 -1.175 396 1HB GLN 46 2HB GLN 46 -24.872 6.001 1.248 397 2HB GLN 46 1HB GLN 46 -26.310 6.981 0.997 398 1HG GLN 46 2HG GLN 46 -27.324 4.531 0.539 399 2HG GLN 46 1HG GLN 46 -26.052 4.136 1.694 400 1HE2 GLN 46 1HE2 GLN 46 -26.191 4.893 3.792 401 2HE2 GLN 46 2HE2 GLN 46 -27.646 5.563 4.444 402 HA PRO 47 HA PRO 47 -25.197 9.287 -3.258 403 1HB PRO 47 2HB PRO 47 -26.862 8.987 -5.376 404 2HB PRO 47 1HB PRO 47 -25.251 8.261 -5.316 405 1HG PRO 47 2HG PRO 47 -27.915 7.012 -4.754 406 2HG PRO 47 1HG PRO 47 -26.546 6.362 -5.676 407 1HD PRO 47 2HD PRO 47 -27.054 5.638 -3.116 408 2HD PRO 47 1HD PRO 47 -25.409 5.719 -3.776 409 H GLY 48 H GLY 48 -28.405 7.877 -2.793 410 1HA GLY 48 2HA GLY 48 -29.891 10.255 -3.038 411 2HA GLY 48 1HA GLY 48 -30.411 8.811 -2.183 412 H LEU 49 H LEU 49 -28.214 8.824 -0.302 413 HA LEU 49 HA LEU 49 -29.239 10.900 1.479 414 1HB LEU 49 2HB LEU 49 -27.647 8.390 1.916 415 2HB LEU 49 1HB LEU 49 -27.819 9.594 3.176 416 HG LEU 49 HG LEU 49 -29.410 7.670 3.338 417 1HD1 LEU 49 1HD1 LEU 49 -30.473 10.469 3.054 418 2HD1 LEU 49 2HD1 LEU 49 -29.959 9.643 4.526 419 3HD1 LEU 49 3HD1 LEU 49 -31.427 9.130 3.693 420 1HD2 LEU 49 1HD2 LEU 49 -31.062 7.273 1.792 421 2HD2 LEU 49 2HD2 LEU 49 -29.722 7.743 0.745 422 3HD2 LEU 49 3HD2 LEU 49 -30.989 8.908 1.132 423 H LEU 50 H LEU 50 -27.206 11.304 -0.759 424 HA LEU 50 HA LEU 50 -25.339 12.854 0.863 425 1HB LEU 50 2HB LEU 50 -24.655 10.513 -0.736 426 2HB LEU 50 1HB LEU 50 -23.728 11.930 -1.188 427 HG LEU 50 HG LEU 50 -22.465 10.716 0.432 428 1HD1 LEU 50 1HD1 LEU 50 -23.692 12.936 2.029 429 2HD1 LEU 50 2HD1 LEU 50 -22.694 13.259 0.612 430 3HD1 LEU 50 3HD1 LEU 50 -22.015 12.393 1.990 431 1HD2 LEU 50 1HD2 LEU 50 -24.841 9.820 1.388 432 2HD2 LEU 50 2HD2 LEU 50 -24.378 10.968 2.644 433 3HD2 LEU 50 3HD2 LEU 50 -23.296 9.640 2.221 434 H GLU 51 H GLU 51 -24.006 14.337 -0.555 435 HA GLU 51 HA GLU 51 -25.032 14.999 -3.152 436 1HB GLU 51 2HB GLU 51 -25.700 16.719 -0.770 437 2HB GLU 51 1HB GLU 51 -25.630 17.379 -2.398 438 1HG GLU 51 2HG GLU 51 -27.252 15.346 -2.891 439 2HG GLU 51 1HG GLU 51 -27.605 15.541 -1.175 440 HA PRO 52 HA PRO 52 -20.647 16.310 -1.704 441 1HB PRO 52 2HB PRO 52 -19.339 14.645 -3.465 442 2HB PRO 52 1HB PRO 52 -19.654 14.263 -1.768 443 1HG PRO 52 2HG PRO 52 -21.162 13.426 -4.212 444 2HG PRO 52 1HG PRO 52 -20.730 12.474 -2.779 445 1HD PRO 52 2HD PRO 52 -23.200 13.455 -3.105 446 2HD PRO 52 1HD PRO 52 -22.438 13.389 -1.503 447 H SER 53 H SER 53 -22.459 15.987 -4.629 448 HA SER 53 HA SER 53 -20.742 17.099 -6.506 449 1HB SER 53 2HB SER 53 -23.744 17.347 -6.234 450 2HB SER 53 1HB SER 53 -22.842 17.888 -7.650 451 HG SER 53 HG SER 53 -22.696 15.243 -6.650 452 H GLU 54 H GLU 54 -22.855 18.669 -4.160 453 HA GLU 54 HA GLU 54 -22.277 21.325 -5.025 454 1HB GLU 54 2HB GLU 54 -24.096 20.125 -3.283 455 2HB GLU 54 1HB GLU 54 -23.091 21.125 -2.244 456 1HG GLU 54 2HG GLU 54 -23.558 23.060 -3.688 457 2HG GLU 54 1HG GLU 54 -24.616 22.046 -4.670 458 H LEU 55 H LEU 55 -21.192 19.376 -2.258 459 HA LEU 55 HA LEU 55 -19.364 21.335 -1.299 460 1HB LEU 55 2HB LEU 55 -19.269 18.386 -0.713 461 2HB LEU 55 1HB LEU 55 -18.681 19.701 0.286 462 HG LEU 55 HG LEU 55 -21.583 19.692 -0.329 463 1HD1 LEU 55 1HD1 LEU 55 -20.682 17.965 1.917 464 2HD1 LEU 55 2HD1 LEU 55 -20.688 17.291 0.287 465 3HD1 LEU 55 3HD1 LEU 55 -22.179 17.924 0.986 466 1HD2 LEU 55 1HD2 LEU 55 -19.857 20.341 2.050 467 2HD2 LEU 55 2HD2 LEU 55 -21.621 20.347 2.102 468 3HD2 LEU 55 3HD2 LEU 55 -20.767 21.457 1.029 469 H GLN 56 H GLN 56 -19.203 19.268 -3.947 470 HA GLN 56 HA GLN 56 -16.540 18.420 -3.918 471 1HB GLN 56 2HB GLN 56 -18.184 17.544 -5.498 472 2HB GLN 56 1HB GLN 56 -18.300 19.117 -6.275 473 1HG GLN 56 2HG GLN 56 -15.587 18.472 -6.326 474 2HG GLN 56 1HG GLN 56 -16.432 16.978 -6.726 475 1HE2 GLN 56 1HE2 GLN 56 -15.252 19.869 -7.905 476 2HE2 GLN 56 2HE2 GLN 56 -16.054 19.879 -9.434 477 H GLY 57 H GLY 57 -17.955 21.509 -4.747 478 1HA GLY 57 2HA GLY 57 -15.218 22.542 -5.141 479 2HA GLY 57 1HA GLY 57 -16.523 23.016 -6.219 480 H LEU 58 H LEU 58 -17.802 22.665 -3.164 481 HA LEU 58 HA LEU 58 -17.890 25.545 -2.813 482 1HB LEU 58 2HB LEU 58 -19.528 23.273 -2.042 483 2HB LEU 58 1HB LEU 58 -19.267 24.371 -0.701 484 HG LEU 58 HG LEU 58 -19.909 26.053 -2.807 485 1HD1 LEU 58 1HD1 LEU 58 -21.990 25.164 -3.715 486 2HD1 LEU 58 2HD1 LEU 58 -21.716 23.642 -2.866 487 3HD1 LEU 58 3HD1 LEU 58 -20.618 24.145 -4.150 488 1HD2 LEU 58 1HD2 LEU 58 -21.212 25.051 -0.351 489 2HD2 LEU 58 2HD2 LEU 58 -22.247 25.875 -1.518 490 3HD2 LEU 58 3HD2 LEU 58 -20.841 26.701 -0.849 491 H GLY 59 H GLY 59 -16.371 22.760 -1.403 492 1HA GLY 59 2HA GLY 59 -14.462 24.239 0.005 493 2HA GLY 59 1HA GLY 59 -15.747 23.838 1.133 494 H ALA 60 H ALA 60 -12.853 22.969 0.779 495 HA ALA 60 HA ALA 60 -12.951 20.181 0.152 496 1HB ALA 60 1HB ALA 60 -10.636 20.322 1.402 497 2HB ALA 60 2HB ALA 60 -10.891 22.056 1.199 498 3HB ALA 60 3HB ALA 60 -10.844 21.000 -0.213 499 H LEU 61 H LEU 61 -12.312 21.898 3.218 500 HA LEU 61 HA LEU 61 -12.493 19.634 4.859 501 1HB LEU 61 2HB LEU 61 -12.899 22.563 5.430 502 2HB LEU 61 1HB LEU 61 -12.949 21.341 6.686 503 HG LEU 61 HG LEU 61 -10.544 21.360 4.954 504 1HD1 LEU 61 1HD1 LEU 61 -9.602 23.285 5.718 505 2HD1 LEU 61 2HD1 LEU 61 -10.547 23.288 7.207 506 3HD1 LEU 61 3HD1 LEU 61 -11.291 23.792 5.690 507 1HD2 LEU 61 1HD2 LEU 61 -9.471 20.907 7.145 508 2HD2 LEU 61 2HD2 LEU 61 -10.716 19.735 6.714 509 3HD2 LEU 61 3HD2 LEU 61 -11.063 20.994 7.899 510 H GLU 62 H GLU 62 -14.942 21.909 3.749 511 HA GLU 62 HA GLU 62 -17.041 21.070 5.420 512 1HB GLU 62 2HB GLU 62 -16.843 23.116 3.804 513 2HB GLU 62 1HB GLU 62 -17.533 22.015 2.620 514 1HG GLU 62 2HG GLU 62 -19.541 21.830 3.779 515 2HG GLU 62 1HG GLU 62 -18.840 22.435 5.278 516 H ALA 63 H ALA 63 -16.116 20.041 2.150 517 HA ALA 63 HA ALA 63 -18.213 18.183 1.812 518 1HB ALA 63 1HB ALA 63 -16.530 19.216 0.094 519 2HB ALA 63 2HB ALA 63 -17.209 17.612 -0.173 520 3HB ALA 63 3HB ALA 63 -15.578 17.782 0.477 521 H THR 64 H THR 64 -14.902 17.842 3.019 522 HA THR 64 HA THR 64 -14.972 15.026 3.295 523 HB THR 64 HB THR 64 -13.114 15.702 5.107 524 HG1 THR 64 1HG THR 64 -13.001 17.911 3.366 525 1HG2 THR 64 1HG2 THR 64 -12.719 16.001 2.140 526 2HG2 THR 64 2HG2 THR 64 -12.617 14.498 3.058 527 3HG2 THR 64 3HG2 THR 64 -11.445 15.786 3.340 528 H ALA 65 H ALA 65 -15.401 17.645 5.670 529 HA ALA 65 HA ALA 65 -15.885 16.045 7.901 530 1HB ALA 65 1HB ALA 65 -16.977 18.789 7.293 531 2HB ALA 65 2HB ALA 65 -15.436 18.429 8.070 532 3HB ALA 65 3HB ALA 65 -16.947 18.024 8.882 533 H TRP 66 H TRP 66 -18.145 17.344 5.501 534 HA TRP 66 HA TRP 66 -20.494 16.379 6.751 535 1HB TRP 66 2HB TRP 66 -20.055 18.093 4.729 536 2HB TRP 66 1HB TRP 66 -20.453 16.655 3.795 537 HD1 TRP 66 HD TRP 66 -22.002 18.853 6.582 538 HE1 TRP 66 1HE TRP 66 -24.562 18.748 6.345 539 HE3 TRP 66 3HE TRP 66 -22.327 15.440 2.788 540 HZ2 TRP 66 2HZ TRP 66 -26.469 17.397 4.759 541 HZ3 TRP 66 3HZ TRP 66 -24.558 14.796 1.971 542 HH2 TRP 66 HH TRP 66 -26.584 15.754 2.938 543 H ALA 67 H ALA 67 -18.514 15.098 4.092 544 HA ALA 67 HA ALA 67 -20.053 12.815 3.575 545 1HB ALA 67 1HB ALA 67 -17.091 12.743 3.237 546 2HB ALA 67 2HB ALA 67 -18.043 13.882 2.284 547 3HB ALA 67 3HB ALA 67 -18.362 12.151 2.168 548 H LEU 68 H LEU 68 -17.238 13.254 5.702 549 HA LEU 68 HA LEU 68 -17.066 10.576 6.554 550 1HB LEU 68 2HB LEU 68 -16.056 13.189 7.576 551 2HB LEU 68 1HB LEU 68 -15.974 11.792 8.631 552 HG LEU 68 HG LEU 68 -14.794 11.811 5.858 553 1HD1 LEU 68 1HD1 LEU 68 -13.192 12.163 8.362 554 2HD1 LEU 68 2HD1 LEU 68 -13.868 13.556 7.518 555 3HD1 LEU 68 3HD1 LEU 68 -12.736 12.487 6.690 556 1HD2 LEU 68 1HD2 LEU 68 -13.800 9.807 6.411 557 2HD2 LEU 68 2HD2 LEU 68 -15.363 9.663 7.218 558 3HD2 LEU 68 3HD2 LEU 68 -13.927 10.098 8.146 559 H LYS 69 H LYS 69 -18.699 13.386 7.990 560 HA LYS 69 HA LYS 69 -19.644 12.053 10.286 561 1HB LYS 69 2HB LYS 69 -19.552 14.499 10.105 562 2HB LYS 69 1HB LYS 69 -20.798 14.460 8.866 563 1HG LYS 69 2HG LYS 69 -21.643 13.079 11.259 564 2HG LYS 69 1HG LYS 69 -21.169 14.744 11.598 565 1HD LYS 69 2HD LYS 69 -23.001 15.557 10.612 566 2HD LYS 69 1HD LYS 69 -22.768 14.545 9.186 567 1HE LYS 69 2HE LYS 69 -23.657 12.638 10.687 568 2HE LYS 69 1HE LYS 69 -24.261 13.938 11.712 569 1HZ LYS 69 1HZ LYS 69 -25.273 14.812 9.529 570 2HZ LYS 69 2HZ LYS 69 -26.026 13.514 10.311 571 3HZ LYS 69 3HZ LYS 69 -25.046 13.234 8.962 572 H VAL 70 H VAL 70 -21.217 12.738 7.168 573 HA VAL 70 HA VAL 70 -23.654 11.443 7.833 574 HB VAL 70 HB VAL 70 -22.538 11.930 5.066 575 1HG1 VAL 70 1HG1 VAL 70 -24.444 10.379 5.170 576 2HG1 VAL 70 2HG1 VAL 70 -24.858 11.886 4.352 577 3HG1 VAL 70 3HG1 VAL 70 -25.385 11.609 6.012 578 1HG2 VAL 70 1HG2 VAL 70 -22.839 13.897 6.828 579 2HG2 VAL 70 2HG2 VAL 70 -24.516 13.767 6.296 580 3HG2 VAL 70 3HG2 VAL 70 -23.241 14.095 5.122 581 H ALA 71 H ALA 71 -20.692 10.371 6.238 582 HA ALA 71 HA ALA 71 -21.546 7.919 5.248 583 1HB ALA 71 1HB ALA 71 -19.429 8.405 4.543 584 2HB ALA 71 2HB ALA 71 -19.051 7.275 5.842 585 3HB ALA 71 3HB ALA 71 -18.922 9.012 6.119 586 H GLU 72 H GLU 72 -20.262 8.718 8.455 587 HA GLU 72 HA GLU 72 -20.483 6.070 9.473 588 1HB GLU 72 2HB GLU 72 -20.112 7.120 11.677 589 2HB GLU 72 1HB GLU 72 -18.935 7.647 10.481 590 1HG GLU 72 2HG GLU 72 -19.991 9.756 10.247 591 2HG GLU 72 1HG GLU 72 -21.393 9.230 11.179 592 H ASN 73 H ASN 73 -22.571 8.902 9.469 593 HA ASN 73 HA ASN 73 -24.497 7.864 11.274 594 1HB ASN 73 2HB ASN 73 -24.063 10.313 10.308 595 2HB ASN 73 1HB ASN 73 -25.327 9.815 9.188 596 1HD2 ASN 73 1HD2 ASN 73 -24.653 9.582 12.668 597 2HD2 ASN 73 2HD2 ASN 73 -26.235 10.057 13.177 598 H GLU 74 H GLU 74 -24.234 7.859 7.749 599 HA GLU 74 HA GLU 74 -26.765 6.531 7.402 600 1HB GLU 74 2HB GLU 74 -24.734 7.753 5.689 601 2HB GLU 74 1HB GLU 74 -25.435 6.295 5.001 602 1HG GLU 74 2HG GLU 74 -26.721 8.104 4.211 603 2HG GLU 74 1HG GLU 74 -27.694 7.295 5.439 604 H LEU 75 H LEU 75 -23.347 5.596 7.189 605 HA LEU 75 HA LEU 75 -24.156 2.825 6.711 606 1HB LEU 75 2HB LEU 75 -21.955 4.443 5.884 607 2HB LEU 75 1HB LEU 75 -21.332 3.071 6.781 608 HG LEU 75 HG LEU 75 -22.824 1.640 5.238 609 1HD1 LEU 75 1HD1 LEU 75 -22.700 4.199 3.650 610 2HD1 LEU 75 2HD1 LEU 75 -24.152 3.437 4.302 611 3HD1 LEU 75 3HD1 LEU 75 -23.229 2.635 3.031 612 1HD2 LEU 75 1HD2 LEU 75 -21.050 1.927 3.361 613 2HD2 LEU 75 2HD2 LEU 75 -20.548 1.355 4.953 614 3HD2 LEU 75 3HD2 LEU 75 -20.288 3.040 4.500 615 H GLY 76 H GLY 76 -21.917 4.607 8.850 616 1HA GLY 76 2HA GLY 76 -22.006 4.176 11.251 617 2HA GLY 76 1HA GLY 76 -22.388 2.505 10.870 618 H ILE 77 H ILE 77 -19.950 4.196 9.064 619 HA ILE 77 HA ILE 77 -17.959 2.292 9.936 620 HB ILE 77 HB ILE 77 -17.553 4.637 8.084 621 1HG1 ILE 77 2HG1 ILE 77 -19.400 3.301 7.233 622 2HG1 ILE 77 1HG1 ILE 77 -17.970 3.035 6.242 623 1HG2 ILE 77 1HG2 ILE 77 -15.564 3.431 9.061 624 2HG2 ILE 77 2HG2 ILE 77 -15.643 3.479 7.300 625 3HG2 ILE 77 3HG2 ILE 77 -16.093 2.008 8.163 626 1HD1 ILE 77 1HD1 ILE 77 -17.556 0.941 7.481 627 2HD1 ILE 77 2HD1 ILE 77 -19.091 0.948 6.613 628 3HD1 ILE 77 3HD1 ILE 77 -19.064 1.199 8.358 629 H THR 78 H THR 78 -16.398 2.617 11.391 630 HA THR 78 HA THR 78 -16.412 4.986 12.987 631 HB THR 78 HB THR 78 -14.394 2.739 13.006 632 HG1 THR 78 1HG THR 78 -16.818 2.986 14.454 633 1HG2 THR 78 1HG2 THR 78 -13.506 4.361 14.395 634 2HG2 THR 78 2HG2 THR 78 -14.422 3.335 15.500 635 3HG2 THR 78 3HG2 THR 78 -15.092 4.878 14.970 636 HA PRO 79 HA PRO 79 -13.669 7.267 10.235 637 1HB PRO 79 2HB PRO 79 -13.568 9.076 12.587 638 2HB PRO 79 1HB PRO 79 -13.965 9.438 10.904 639 1HG PRO 79 2HG PRO 79 -15.869 9.354 12.768 640 2HG PRO 79 1HG PRO 79 -16.162 8.734 11.131 641 1HD PRO 79 2HD PRO 79 -15.604 7.230 13.657 642 2HD PRO 79 1HD PRO 79 -16.728 6.842 12.337 643 H VAL 80 H VAL 80 -11.465 7.623 10.113 644 HA VAL 80 HA VAL 80 -9.836 7.090 12.484 645 HB VAL 80 HB VAL 80 -9.265 5.713 9.863 646 1HG1 VAL 80 1HG1 VAL 80 -7.999 5.769 12.557 647 2HG1 VAL 80 2HG1 VAL 80 -7.254 5.777 10.958 648 3HG1 VAL 80 3HG1 VAL 80 -7.923 4.282 11.613 649 1HG2 VAL 80 1HG2 VAL 80 -10.718 4.699 12.296 650 2HG2 VAL 80 2HG2 VAL 80 -9.978 3.631 11.102 651 3HG2 VAL 80 3HG2 VAL 80 -11.278 4.722 10.623 652 H VAL 81 H VAL 81 -10.522 9.345 10.485 653 HA VAL 81 HA VAL 81 -7.802 10.355 10.325 654 HB VAL 81 HB VAL 81 -8.149 11.109 7.952 655 1HG1 VAL 81 1HG1 VAL 81 -7.039 9.296 7.171 656 2HG1 VAL 81 2HG1 VAL 81 -8.205 8.155 7.841 657 3HG1 VAL 81 3HG1 VAL 81 -6.989 8.887 8.886 658 1HG2 VAL 81 1HG2 VAL 81 -9.787 9.382 6.768 659 2HG2 VAL 81 2HG2 VAL 81 -10.344 10.941 7.373 660 3HG2 VAL 81 3HG2 VAL 81 -10.601 9.482 8.329 661 H SER 82 H SER 82 -7.733 12.671 9.806 662 HA SER 82 HA SER 82 -10.217 14.016 10.638 663 1HB SER 82 2HB SER 82 -8.482 14.321 12.293 664 2HB SER 82 1HB SER 82 -7.330 14.821 11.055 665 HG SER 82 HG SER 82 -8.023 16.727 11.702 666 H ALA 83 H ALA 83 -10.790 15.983 9.632 667 HA ALA 83 HA ALA 83 -10.434 16.068 6.859 668 1HB ALA 83 1HB ALA 83 -11.764 17.986 6.865 669 2HB ALA 83 2HB ALA 83 -11.205 18.480 8.463 670 3HB ALA 83 3HB ALA 83 -12.291 17.102 8.297 671 H GLN 84 H GLN 84 -8.889 17.946 9.438 672 HA GLN 84 HA GLN 84 -7.447 19.733 7.869 673 1HB GLN 84 2HB GLN 84 -6.593 18.493 10.492 674 2HB GLN 84 1HB GLN 84 -5.949 19.972 9.794 675 1HG GLN 84 2HG GLN 84 -7.448 21.004 11.075 676 2HG GLN 84 1HG GLN 84 -8.620 20.505 9.856 677 1HE2 GLN 84 1HE2 GLN 84 -7.231 19.736 12.977 678 2HE2 GLN 84 2HE2 GLN 84 -8.539 18.753 13.531 679 H ALA 85 H ALA 85 -6.557 16.482 8.973 680 HA ALA 85 HA ALA 85 -3.962 16.503 7.828 681 1HB ALA 85 1HB ALA 85 -3.963 14.826 9.319 682 2HB ALA 85 2HB ALA 85 -4.585 13.858 7.981 683 3HB ALA 85 3HB ALA 85 -5.698 14.552 9.159 684 H VAL 86 H VAL 86 -7.120 15.442 6.669 685 HA VAL 86 HA VAL 86 -6.206 14.161 4.318 686 HB VAL 86 HB VAL 86 -8.897 15.466 4.731 687 1HG1 VAL 86 1HG1 VAL 86 -7.903 14.423 2.450 688 2HG1 VAL 86 2HG1 VAL 86 -9.614 14.407 2.875 689 3HG1 VAL 86 3HG1 VAL 86 -8.617 12.983 3.173 690 1HG2 VAL 86 1HG2 VAL 86 -8.748 12.589 5.151 691 2HG2 VAL 86 2HG2 VAL 86 -9.522 13.837 6.127 692 3HG2 VAL 86 3HG2 VAL 86 -7.802 13.504 6.324 693 H VAL 87 H VAL 87 -7.568 17.414 4.846 694 HA VAL 87 HA VAL 87 -7.312 18.289 2.187 695 HB VAL 87 HB VAL 87 -7.206 20.028 4.654 696 1HG1 VAL 87 1HG1 VAL 87 -7.839 20.540 1.764 697 2HG1 VAL 87 2HG1 VAL 87 -6.664 21.352 2.797 698 3HG1 VAL 87 3HG1 VAL 87 -8.390 21.621 3.044 699 1HG2 VAL 87 1HG2 VAL 87 -9.212 18.259 4.061 700 2HG2 VAL 87 2HG2 VAL 87 -9.779 19.744 3.298 701 3HG2 VAL 87 3HG2 VAL 87 -9.396 19.728 5.017 702 H ALA 88 H ALA 88 -5.045 18.185 4.846 703 HA ALA 88 HA ALA 88 -3.098 19.838 3.481 704 1HB ALA 88 1HB ALA 88 -1.654 19.225 5.453 705 2HB ALA 88 2HB ALA 88 -3.042 18.341 6.090 706 3HB ALA 88 3HB ALA 88 -3.146 20.084 5.835 707 H GLY 89 H GLY 89 -3.981 16.558 3.448 708 1HA GLY 89 2HA GLY 89 -3.037 14.703 2.490 709 2HA GLY 89 1HA GLY 89 -2.081 15.829 1.537 710 H SER 90 H SER 90 -1.954 15.648 5.037 711 HA SER 90 HA SER 90 0.798 14.618 4.808 712 1HB SER 90 2HB SER 90 0.102 17.034 5.812 713 2HB SER 90 1HB SER 90 0.014 16.055 7.278 714 HG SER 90 HG SER 90 2.133 17.070 6.560 715 H ASP 91 H ASP 91 -1.346 12.841 4.895 716 HA ASP 91 HA ASP 91 -0.701 11.394 7.321 717 1HB ASP 91 2HB ASP 91 -2.861 12.956 7.544 718 2HB ASP 91 1HB ASP 91 -3.620 11.568 6.771 719 HA PRO 92 HA PRO 92 -1.325 8.959 3.314 720 1HB PRO 92 2HB PRO 92 1.097 7.676 3.512 721 2HB PRO 92 1HB PRO 92 0.832 9.160 2.592 722 1HG PRO 92 2HG PRO 92 1.959 8.810 5.339 723 2HG PRO 92 1HG PRO 92 2.489 9.894 4.039 724 1HD PRO 92 2HD PRO 92 1.029 10.784 6.112 725 2HD PRO 92 1HD PRO 92 0.817 11.437 4.474 726 H LEU 93 H LEU 93 0.211 7.992 6.374 727 HA LEU 93 HA LEU 93 -0.387 5.267 6.256 728 1HB LEU 93 2HB LEU 93 0.206 7.190 8.454 729 2HB LEU 93 1HB LEU 93 -0.398 5.601 8.880 730 HG LEU 93 HG LEU 93 2.041 6.035 7.163 731 1HD1 LEU 93 1HD1 LEU 93 2.913 6.846 9.084 732 2HD1 LEU 93 2HD1 LEU 93 3.049 5.130 9.469 733 3HD1 LEU 93 3HD1 LEU 93 1.695 6.070 10.096 734 1HD2 LEU 93 1HD2 LEU 93 0.936 3.630 8.607 735 2HD2 LEU 93 2HD2 LEU 93 2.504 3.692 7.803 736 3HD2 LEU 93 3HD2 LEU 93 1.024 3.871 6.862 737 H GLY 94 H GLY 94 -2.281 7.989 7.477 738 1HA GLY 94 2HA GLY 94 -4.383 6.439 8.581 739 2HA GLY 94 1HA GLY 94 -4.474 8.141 8.149 740 H LEU 95 H LEU 95 -3.854 7.818 5.376 741 HA LEU 95 HA LEU 95 -6.422 7.389 4.339 742 1HB LEU 95 2HB LEU 95 -3.727 7.868 3.231 743 2HB LEU 95 1HB LEU 95 -4.867 7.098 2.144 744 HG LEU 95 HG LEU 95 -6.460 9.017 2.699 745 1HD1 LEU 95 1HD1 LEU 95 -4.064 10.625 3.382 746 2HD1 LEU 95 2HD1 LEU 95 -4.787 9.644 4.658 747 3HD1 LEU 95 3HD1 LEU 95 -5.755 10.860 3.825 748 1HD2 LEU 95 1HD2 LEU 95 -5.716 9.221 0.571 749 2HD2 LEU 95 2HD2 LEU 95 -4.020 9.079 1.030 750 3HD2 LEU 95 3HD2 LEU 95 -4.869 10.607 1.257 751 H ILE 96 H ILE 96 -3.575 5.290 4.437 752 HA ILE 96 HA ILE 96 -4.690 3.186 2.908 753 HB ILE 96 HB ILE 96 -2.545 2.950 5.021 754 1HG1 ILE 96 2HG1 ILE 96 -2.001 4.709 3.381 755 2HG1 ILE 96 1HG1 ILE 96 -0.936 3.318 3.214 756 1HG2 ILE 96 1HG2 ILE 96 -2.144 0.862 4.286 757 2HG2 ILE 96 2HG2 ILE 96 -2.473 1.278 2.604 758 3HG2 ILE 96 3HG2 ILE 96 -3.809 0.948 3.707 759 1HD1 ILE 96 1HD1 ILE 96 -1.547 3.004 1.109 760 2HD1 ILE 96 2HD1 ILE 96 -2.353 4.570 1.203 761 3HD1 ILE 96 3HD1 ILE 96 -3.262 3.092 1.515 762 H ALA 97 H ALA 97 -4.494 3.774 6.401 763 HA ALA 97 HA ALA 97 -5.699 1.344 7.193 764 1HB ALA 97 1HB ALA 97 -4.667 2.254 8.990 765 2HB ALA 97 2HB ALA 97 -6.268 2.938 9.269 766 3HB ALA 97 3HB ALA 97 -5.018 3.909 8.491 767 H TYR 98 H TYR 98 -7.001 4.544 6.467 768 HA TYR 98 HA TYR 98 -9.661 3.973 7.280 769 1HB TYR 98 2HB TYR 98 -8.706 6.273 7.009 770 2HB TYR 98 1HB TYR 98 -8.748 6.034 5.265 771 HD1 TYR 98 1HD TYR 98 -10.892 5.943 4.075 772 HD2 TYR 98 2HD TYR 98 -10.719 6.702 8.258 773 HE1 TYR 98 1HE TYR 98 -13.213 6.751 4.017 774 HE2 TYR 98 2HE TYR 98 -13.041 7.512 8.212 775 HH TYR 98 HH TYR 98 -15.164 6.903 6.258 776 H LEU 99 H LEU 99 -8.061 3.997 4.108 777 HA LEU 99 HA LEU 99 -10.295 3.308 2.570 778 1HB LEU 99 2HB LEU 99 -7.376 3.307 2.218 779 2HB LEU 99 1HB LEU 99 -8.230 2.159 1.204 780 HG LEU 99 HG LEU 99 -7.891 4.246 0.016 781 1HD1 LEU 99 1HD1 LEU 99 -10.520 3.144 0.606 782 2HD1 LEU 99 2HD1 LEU 99 -9.792 3.581 -0.939 783 3HD1 LEU 99 3HD1 LEU 99 -10.581 4.815 0.043 784 1HD2 LEU 99 1HD2 LEU 99 -8.513 5.404 2.536 785 2HD2 LEU 99 2HD2 LEU 99 -9.687 5.988 1.357 786 3HD2 LEU 99 3HD2 LEU 99 -7.961 6.200 1.062 787 H SER 100 H SER 100 -8.063 1.343 4.425 788 HA SER 100 HA SER 100 -8.764 -1.173 3.380 789 1HB SER 100 2HB SER 100 -6.771 -0.671 4.842 790 2HB SER 100 1HB SER 100 -7.876 -0.610 6.215 791 HG SER 100 HG SER 100 -7.298 -2.817 4.537 792 H HIS 101 H HIS 101 -10.168 0.805 5.928 793 HA HIS 101 HA HIS 101 -11.987 -1.211 6.832 794 1HB HIS 101 2HB HIS 101 -11.099 1.178 7.852 795 2HB HIS 101 1HB HIS 101 -12.740 1.580 7.356 796 HD1 HIS 101 1HD HIS 101 -11.771 -1.789 8.733 797 HD2 HIS 101 2HD HIS 101 -13.816 1.636 9.898 798 HE1 HIS 101 1HE HIS 101 -12.891 -2.381 10.905 799 HE2 HIS 101 2HE HIS 101 -14.051 -0.266 11.635 800 H PHE 102 H PHE 102 -12.165 1.523 4.609 801 HA PHE 102 HA PHE 102 -14.957 1.382 4.154 802 1HB PHE 102 2HB PHE 102 -12.758 2.965 3.239 803 2HB PHE 102 1HB PHE 102 -13.665 2.408 1.838 804 HD1 PHE 102 1HD PHE 102 -14.692 3.472 5.263 805 HD2 PHE 102 2HD PHE 102 -15.009 4.097 1.066 806 HE1 PHE 102 1HE PHE 102 -16.367 5.228 5.656 807 HE2 PHE 102 2HE PHE 102 -16.685 5.856 1.451 808 HZ PHE 102 HZ PHE 102 -17.367 6.424 3.748 809 H HIS 103 H HIS 103 -12.163 0.002 2.473 810 HA HIS 103 HA HIS 103 -13.545 -1.132 0.313 811 1HB HIS 103 2HB HIS 103 -11.018 -0.866 0.632 812 2HB HIS 103 1HB HIS 103 -11.094 -2.354 1.570 813 HD1 HIS 103 1HD HIS 103 -9.788 -1.692 -1.393 814 HD2 HIS 103 2HD HIS 103 -13.083 -4.042 -0.452 815 HE1 HIS 103 1HE HIS 103 -10.049 -3.284 -3.321 816 HE2 HIS 103 2HE HIS 103 -11.995 -4.755 -2.689 817 H SER 104 H SER 104 -12.624 -2.535 3.447 818 HA SER 104 HA SER 104 -13.642 -5.100 3.034 819 1HB SER 104 2HB SER 104 -13.062 -3.445 5.458 820 2HB SER 104 1HB SER 104 -13.949 -4.956 5.654 821 HG SER 104 HG SER 104 -12.210 -6.066 5.127 822 H ALA 105 H ALA 105 -15.218 -2.198 4.316 823 HA ALA 105 HA ALA 105 -17.704 -3.474 4.859 824 1HB ALA 105 1HB ALA 105 -17.183 -1.478 6.051 825 2HB ALA 105 2HB ALA 105 -18.565 -1.125 5.013 826 3HB ALA 105 3HB ALA 105 -16.954 -0.574 4.554 827 H PHE 106 H PHE 106 -16.389 -1.710 2.110 828 HA PHE 106 HA PHE 106 -18.793 -1.485 0.647 829 1HB PHE 106 2HB PHE 106 -15.882 -1.319 -0.042 830 2HB PHE 106 1HB PHE 106 -17.076 -1.362 -1.334 831 HD1 PHE 106 1HD PHE 106 -17.524 0.268 1.955 832 HD2 PHE 106 2HD PHE 106 -16.778 0.804 -2.201 833 HE1 PHE 106 1HE PHE 106 -17.880 2.687 2.207 834 HE2 PHE 106 2HE PHE 106 -17.134 3.226 -1.956 835 HZ PHE 106 HZ PHE 106 -17.685 4.171 0.251 836 H LYS 107 H LYS 107 -16.513 -4.076 1.068 837 HA LYS 107 HA LYS 107 -17.045 -5.619 -1.190 838 1HB LYS 107 2HB LYS 107 -15.993 -6.137 1.532 839 2HB LYS 107 1HB LYS 107 -16.583 -7.536 0.646 840 1HG LYS 107 2HG LYS 107 -14.875 -5.836 -0.974 841 2HG LYS 107 1HG LYS 107 -14.066 -6.435 0.476 842 1HD LYS 107 2HD LYS 107 -15.602 -8.224 -1.395 843 2HD LYS 107 1HD LYS 107 -13.881 -7.887 -1.592 844 1HE LYS 107 2HE LYS 107 -13.585 -9.669 -0.266 845 2HE LYS 107 1HE LYS 107 -14.017 -8.570 1.043 846 1HZ LYS 107 1HZ LYS 107 -16.122 -10.033 -0.407 847 2HZ LYS 107 2HZ LYS 107 -16.143 -9.413 1.167 848 3HZ LYS 107 3HZ LYS 107 -15.248 -10.805 0.819 849 H SER 108 H SER 108 -18.559 -5.813 2.033 850 HA SER 108 HA SER 108 -20.587 -7.625 1.053 851 1HB SER 108 2HB SER 108 -19.704 -7.891 3.331 852 2HB SER 108 1HB SER 108 -20.294 -6.284 3.752 853 HG SER 108 HG SER 108 -22.003 -8.322 2.790 854 H MET 109 H MET 109 -20.275 -4.224 1.798 855 HA MET 109 HA MET 109 -23.110 -3.714 1.602 856 1HB MET 109 2HB MET 109 -21.302 -2.420 2.979 857 2HB MET 109 1HB MET 109 -21.020 -1.571 1.465 858 1HG MET 109 2HG MET 109 -22.589 -0.178 2.236 859 2HG MET 109 1HG MET 109 -23.705 -1.397 1.625 860 1HE MET 109 1HE MET 109 -25.326 -2.961 4.508 861 2HE MET 109 2HE MET 109 -24.904 -2.992 2.795 862 3HE MET 109 3HE MET 109 -25.876 -1.670 3.442 Start of MODEL 10 1 1H MET -8 1HT MET -8 20.652 9.048 5.099 2 2H MET -8 2HT MET -8 21.109 10.357 6.108 3 3H MET -8 3HT MET -8 21.551 8.755 6.527 4 HA MET -8 HA MET -8 22.565 10.451 4.365 5 1HB MET -8 2HB MET -8 23.418 9.575 6.975 6 2HB MET -8 1HB MET -8 24.555 9.012 5.759 7 1HG MET -8 2HG MET -8 23.653 11.855 5.750 8 2HG MET -8 1HG MET -8 24.889 11.322 6.887 9 1HE MET -8 1HE MET -8 26.516 13.477 4.332 10 2HE MET -8 2HE MET -8 24.854 13.488 4.923 11 3HE MET -8 3HE MET -8 25.185 13.125 3.229 12 H GLY -7 H GLY -7 22.215 7.125 5.518 13 1HA GLY -7 2HA GLY -7 23.827 5.867 3.593 14 2HA GLY -7 1HA GLY -7 22.496 5.109 4.456 15 H HIS -6 H HIS -6 23.401 4.907 1.627 16 HA HIS -6 HA HIS -6 21.475 6.209 -0.011 17 1HB HIS -6 2HB HIS -6 23.678 5.369 -0.829 18 2HB HIS -6 1HB HIS -6 23.085 3.724 -0.634 19 HD1 HIS -6 1HD HIS -6 22.131 6.872 -2.546 20 HD2 HIS -6 2HD HIS -6 21.906 2.734 -2.862 21 HE1 HIS -6 1HE HIS -6 21.165 6.424 -4.825 22 HE2 HIS -6 2HE HIS -6 21.121 3.913 -5.028 23 H HIS -5 H HIS -5 19.536 5.517 -0.789 24 HA HIS -5 HA HIS -5 18.117 3.569 0.717 25 1HB HIS -5 2HB HIS -5 16.305 3.990 -1.000 26 2HB HIS -5 1HB HIS -5 16.870 5.412 -0.128 27 HD1 HIS -5 1HD HIS -5 17.554 7.346 -1.528 28 HD2 HIS -5 2HD HIS -5 17.511 3.795 -3.685 29 HE1 HIS -5 1HE HIS -5 18.018 8.002 -3.910 30 HE2 HIS -5 2HE HIS -5 17.903 5.846 -5.211 31 H HIS -4 H HIS -4 17.331 1.556 0.104 32 HA HIS -4 HA HIS -4 18.978 0.158 -1.826 33 1HB HIS -4 2HB HIS -4 17.075 -0.635 0.329 34 2HB HIS -4 1HB HIS -4 17.371 -1.779 -0.976 35 HD1 HIS -4 1HD HIS -4 20.175 -2.016 -1.409 36 HD2 HIS -4 2HD HIS -4 18.765 -1.054 2.380 37 HE1 HIS -4 1HE HIS -4 22.035 -2.617 0.174 38 HE2 HIS -4 2HE HIS -4 21.127 -2.105 2.466 39 H HIS -3 H HIS -3 18.302 -0.769 -3.714 40 HA HIS -3 HA HIS -3 15.917 0.330 -4.899 41 1HB HIS -3 2HB HIS -3 18.365 -0.930 -5.828 42 2HB HIS -3 1HB HIS -3 16.954 -1.557 -6.672 43 HD1 HIS -3 1HD HIS -3 15.259 0.718 -7.306 44 HD2 HIS -3 2HD HIS -3 19.396 1.106 -7.254 45 HE1 HIS -3 1HE HIS -3 15.763 2.736 -8.721 46 HE2 HIS -3 2HE HIS -3 18.278 2.898 -8.747 47 H HIS -2 H HIS -2 14.804 -1.450 -6.475 48 HA HIS -2 HA HIS -2 13.288 -3.139 -6.587 49 1HB HIS -2 2HB HIS -2 15.634 -4.270 -5.537 50 2HB HIS -2 1HB HIS -2 14.329 -4.892 -4.532 51 HD1 HIS -2 1HD HIS -2 13.017 -6.795 -5.466 52 HD2 HIS -2 2HD HIS -2 15.227 -4.825 -8.382 53 HE1 HIS -2 1HE HIS -2 12.754 -8.173 -7.552 54 HE2 HIS -2 2HE HIS -2 14.027 -6.914 -9.326 55 H HIS -1 H HIS -1 11.605 -1.909 -5.704 56 HA HIS -1 HA HIS -1 11.077 -2.323 -2.841 57 1HB HIS -1 2HB HIS -1 9.460 -0.419 -3.104 58 2HB HIS -1 1HB HIS -1 11.145 0.011 -3.369 59 HD1 HIS -1 1HD HIS -1 9.692 -1.727 -6.239 60 HD2 HIS -1 2HD HIS -1 9.954 2.192 -4.884 61 HE1 HIS -1 1HE HIS -1 9.138 -0.290 -8.226 62 HE2 HIS -1 2HE HIS -1 9.219 2.074 -7.360 63 H MET 0 H MET 0 10.343 -4.509 -3.379 64 HA MET 0 HA MET 0 7.730 -4.603 -4.710 65 1HB MET 0 2HB MET 0 8.104 -7.113 -4.574 66 2HB MET 0 1HB MET 0 9.185 -6.220 -5.634 67 1HG MET 0 2HG MET 0 11.005 -6.578 -4.316 68 2HG MET 0 1HG MET 0 10.053 -6.673 -2.836 69 1HE MET 0 1HE MET 0 8.160 -8.478 -2.692 70 2HE MET 0 2HE MET 0 9.442 -9.209 -1.726 71 3HE MET 0 3HE MET 0 8.557 -10.183 -2.899 72 H GLY 1 H GLY 1 6.221 -4.038 -3.226 73 1HA GLY 1 2HA GLY 1 5.018 -5.657 -1.506 74 2HA GLY 1 1HA GLY 1 6.372 -5.124 -0.522 75 H SER 2 H SER 2 6.588 -2.481 -1.181 76 HA SER 2 HA SER 2 4.254 -1.397 0.153 77 1HB SER 2 2HB SER 2 5.567 0.694 0.252 78 2HB SER 2 1HB SER 2 6.478 -0.678 0.882 79 HG SER 2 HG SER 2 7.671 0.696 -0.580 80 H ALA 3 H ALA 3 6.071 -0.605 -2.815 81 HA ALA 3 HA ALA 3 4.104 1.166 -3.822 82 1HB ALA 3 1HB ALA 3 6.571 -0.095 -4.874 83 2HB ALA 3 2HB ALA 3 6.100 1.603 -4.817 84 3HB ALA 3 3HB ALA 3 5.418 0.540 -6.047 85 H GLY 4 H GLY 4 4.570 -2.286 -4.059 86 1HA GLY 4 2HA GLY 4 2.856 -2.730 -6.283 87 2HA GLY 4 1HA GLY 4 3.364 -3.938 -5.111 88 H THR 5 H THR 5 2.270 -2.269 -2.884 89 HA THR 5 HA THR 5 -0.425 -3.315 -3.015 90 HB THR 5 HB THR 5 -0.424 -2.160 -0.635 91 HG1 THR 5 1HG THR 5 1.419 -1.154 -0.414 92 1HG2 THR 5 1HG2 THR 5 -0.577 -4.458 -0.577 93 2HG2 THR 5 2HG2 THR 5 0.955 -4.155 0.243 94 3HG2 THR 5 3HG2 THR 5 0.945 -4.684 -1.438 95 H GLN 6 H GLN 6 1.179 -0.189 -2.962 96 HA GLN 6 HA GLN 6 -1.098 1.418 -2.579 97 1HB GLN 6 2HB GLN 6 1.499 2.036 -3.995 98 2HB GLN 6 1HB GLN 6 0.293 3.237 -3.550 99 1HG GLN 6 2HG GLN 6 0.669 2.085 -1.163 100 2HG GLN 6 1HG GLN 6 2.255 1.803 -1.880 101 1HE2 GLN 6 1HE2 GLN 6 -0.089 4.257 -1.001 102 2HE2 GLN 6 2HE2 GLN 6 1.034 5.567 -0.906 103 H GLU 7 H GLU 7 0.283 -0.060 -5.437 104 HA GLU 7 HA GLU 7 -1.080 1.430 -7.388 105 1HB GLU 7 2HB GLU 7 -0.030 -1.399 -7.424 106 2HB GLU 7 1HB GLU 7 -0.687 -0.594 -8.841 107 1HG GLU 7 2HG GLU 7 1.597 0.541 -7.260 108 2HG GLU 7 1HG GLU 7 1.828 -0.598 -8.585 109 H GLU 8 H GLU 8 -1.950 -1.629 -5.791 110 HA GLU 8 HA GLU 8 -4.384 -1.965 -7.201 111 1HB GLU 8 2HB GLU 8 -4.898 -3.688 -5.573 112 2HB GLU 8 1HB GLU 8 -3.214 -3.817 -6.064 113 1HG GLU 8 2HG GLU 8 -2.427 -3.063 -4.026 114 2HG GLU 8 1HG GLU 8 -3.956 -2.295 -3.603 115 H LEU 9 H LEU 9 -3.511 -0.245 -4.287 116 HA LEU 9 HA LEU 9 -6.170 0.143 -3.341 117 1HB LEU 9 2HB LEU 9 -4.045 0.302 -1.982 118 2HB LEU 9 1HB LEU 9 -3.767 1.859 -2.741 119 HG LEU 9 HG LEU 9 -5.780 2.761 -1.743 120 1HD1 LEU 9 1HD1 LEU 9 -6.220 -0.079 -0.928 121 2HD1 LEU 9 2HD1 LEU 9 -7.345 1.065 -1.660 122 3HD1 LEU 9 3HD1 LEU 9 -6.892 1.236 0.036 123 1HD2 LEU 9 1HD2 LEU 9 -5.163 2.344 0.721 124 2HD2 LEU 9 2HD2 LEU 9 -3.956 3.079 -0.334 125 3HD2 LEU 9 3HD2 LEU 9 -3.846 1.366 0.071 126 H LEU 10 H LEU 10 -3.916 2.139 -5.218 127 HA LEU 10 HA LEU 10 -5.556 4.417 -5.394 128 1HB LEU 10 2HB LEU 10 -3.097 4.271 -5.914 129 2HB LEU 10 1HB LEU 10 -3.531 3.513 -7.435 130 HG LEU 10 HG LEU 10 -4.884 6.076 -6.933 131 1HD1 LEU 10 1HD1 LEU 10 -2.963 6.966 -6.064 132 2HD1 LEU 10 2HD1 LEU 10 -2.666 7.194 -7.787 133 3HD1 LEU 10 3HD1 LEU 10 -1.916 5.846 -6.935 134 1HD2 LEU 10 1HD2 LEU 10 -4.036 6.417 -9.301 135 2HD2 LEU 10 2HD2 LEU 10 -5.169 5.088 -9.052 136 3HD2 LEU 10 3HD2 LEU 10 -3.444 4.758 -9.219 137 H ARG 11 H ARG 11 -5.156 1.652 -7.587 138 HA ARG 11 HA ARG 11 -6.876 2.552 -9.607 139 1HB ARG 11 2HB ARG 11 -6.948 0.243 -10.363 140 2HB ARG 11 1HB ARG 11 -5.311 0.671 -9.885 141 1HG ARG 11 2HG ARG 11 -5.556 -0.512 -7.806 142 2HG ARG 11 1HG ARG 11 -7.253 -0.845 -8.156 143 1HD ARG 11 2HD ARG 11 -6.440 -2.042 -10.238 144 2HD ARG 11 1HD ARG 11 -4.818 -1.923 -9.557 145 HE ARG 11 HE ARG 11 -6.215 -3.056 -7.553 146 1HH1 ARG 11 1HH1 ARG 11 -5.921 -3.822 -10.945 147 2HH1 ARG 11 2HH1 ARG 11 -6.171 -5.518 -10.713 148 1HH2 ARG 11 1HH2 ARG 11 -6.543 -5.288 -7.245 149 2HH2 ARG 11 2HH2 ARG 11 -6.524 -6.351 -8.611 150 H TRP 12 H TRP 12 -7.517 0.699 -6.666 151 HA TRP 12 HA TRP 12 -10.198 0.058 -7.205 152 1HB TRP 12 2HB TRP 12 -8.764 -0.914 -5.374 153 2HB TRP 12 1HB TRP 12 -9.016 0.577 -4.471 154 HD1 TRP 12 HD TRP 12 -10.966 -2.474 -5.782 155 HE1 TRP 12 1HE TRP 12 -13.107 -2.730 -4.377 156 HE3 TRP 12 3HE TRP 12 -10.618 1.793 -2.987 157 HZ2 TRP 12 2HZ TRP 12 -14.468 -1.310 -2.351 158 HZ3 TRP 12 3HZ TRP 12 -12.381 2.269 -1.337 159 HH2 TRP 12 HH TRP 12 -14.265 0.748 -1.028 160 H CYS 13 H CYS 13 -8.724 2.890 -5.692 161 HA CYS 13 HA CYS 13 -11.168 4.110 -4.917 162 1HB CYS 13 2HB CYS 13 -8.332 5.028 -5.187 163 2HB CYS 13 1HB CYS 13 -9.605 6.227 -4.978 164 HG CYS 13 HG CYS 13 -9.755 5.653 -2.598 165 H GLN 14 H GLN 14 -9.038 4.523 -7.726 166 HA GLN 14 HA GLN 14 -10.509 6.591 -8.946 167 1HB GLN 14 2HB GLN 14 -8.200 6.043 -9.572 168 2HB GLN 14 1HB GLN 14 -8.735 4.500 -10.223 169 1HG GLN 14 2HG GLN 14 -10.263 6.587 -11.420 170 2HG GLN 14 1HG GLN 14 -8.550 6.987 -11.535 171 1HE2 GLN 14 1HE2 GLN 14 -7.397 4.547 -11.816 172 2HE2 GLN 14 2HE2 GLN 14 -7.911 3.809 -13.291 173 H GLU 15 H GLU 15 -10.775 3.085 -9.107 174 HA GLU 15 HA GLU 15 -12.604 2.979 -11.264 175 1HB GLU 15 2HB GLU 15 -11.223 1.069 -10.278 176 2HB GLU 15 1HB GLU 15 -12.449 0.971 -9.021 177 1HG GLU 15 2HG GLU 15 -13.939 -0.022 -10.368 178 2HG GLU 15 1HG GLU 15 -13.491 0.962 -11.763 179 H GLN 16 H GLN 16 -13.051 3.012 -7.747 180 HA GLN 16 HA GLN 16 -15.887 2.865 -7.848 181 1HB GLN 16 2HB GLN 16 -14.054 3.844 -5.651 182 2HB GLN 16 1HB GLN 16 -15.775 3.538 -5.462 183 1HG GLN 16 2HG GLN 16 -13.780 1.447 -6.296 184 2HG GLN 16 1HG GLN 16 -14.289 1.723 -4.631 185 1HE2 GLN 16 1HE2 GLN 16 -14.908 -0.570 -4.855 186 2HE2 GLN 16 2HE2 GLN 16 -16.478 -0.933 -5.478 187 H THR 17 H THR 17 -13.578 5.479 -7.961 188 HA THR 17 HA THR 17 -15.671 7.486 -7.676 189 HB THR 17 HB THR 17 -12.732 7.946 -8.186 190 HG1 THR 17 1HG THR 17 -12.361 7.600 -6.147 191 1HG2 THR 17 1HG2 THR 17 -15.006 9.686 -7.559 192 2HG2 THR 17 2HG2 THR 17 -13.471 10.049 -8.348 193 3HG2 THR 17 3HG2 THR 17 -13.559 9.956 -6.589 194 H ALA 18 H ALA 18 -14.864 5.590 -10.126 195 HA ALA 18 HA ALA 18 -14.433 7.503 -12.225 196 1HB ALA 18 1HB ALA 18 -13.506 5.487 -12.798 197 2HB ALA 18 2HB ALA 18 -15.057 5.372 -13.629 198 3HB ALA 18 3HB ALA 18 -14.822 4.554 -12.085 199 H GLY 19 H GLY 19 -15.926 8.648 -13.268 200 1HA GLY 19 2HA GLY 19 -18.155 8.243 -14.486 201 2HA GLY 19 1HA GLY 19 -18.753 7.926 -12.866 202 H TYR 20 H TYR 20 -17.272 9.953 -11.525 203 HA TYR 20 HA TYR 20 -19.011 12.150 -11.920 204 1HB TYR 20 2HB TYR 20 -16.418 12.053 -10.365 205 2HB TYR 20 1HB TYR 20 -17.673 13.275 -10.208 206 HD1 TYR 20 1HD TYR 20 -19.591 12.896 -8.853 207 HD2 TYR 20 2HD TYR 20 -16.878 9.713 -9.624 208 HE1 TYR 20 1HE TYR 20 -20.694 11.545 -7.121 209 HE2 TYR 20 2HE TYR 20 -17.975 8.352 -7.896 210 HH TYR 20 HH TYR 20 -20.360 8.302 -6.830 211 HA PRO 21 HA PRO 21 -16.718 14.096 -15.225 212 1HB PRO 21 2HB PRO 21 -18.161 16.379 -15.377 213 2HB PRO 21 1HB PRO 21 -18.759 14.834 -15.994 214 1HG PRO 21 2HG PRO 21 -19.373 16.205 -13.405 215 2HG PRO 21 1HG PRO 21 -20.476 15.380 -14.523 216 1HD PRO 21 2HD PRO 21 -19.539 14.221 -12.253 217 2HD PRO 21 1HD PRO 21 -19.931 13.294 -13.716 218 H GLY 22 H GLY 22 -14.722 14.743 -14.623 219 1HA GLY 22 2HA GLY 22 -13.378 16.740 -14.287 220 2HA GLY 22 1HA GLY 22 -14.540 17.245 -13.068 221 H VAL 23 H VAL 23 -14.643 14.417 -12.043 222 HA VAL 23 HA VAL 23 -12.512 14.714 -10.135 223 HB VAL 23 HB VAL 23 -14.395 12.373 -10.392 224 1HG1 VAL 23 1HG1 VAL 23 -12.638 13.444 -8.210 225 2HG1 VAL 23 2HG1 VAL 23 -12.701 11.815 -8.882 226 3HG1 VAL 23 3HG1 VAL 23 -14.013 12.398 -7.858 227 1HG2 VAL 23 1HG2 VAL 23 -15.842 14.223 -10.276 228 2HG2 VAL 23 2HG2 VAL 23 -14.811 15.061 -9.116 229 3HG2 VAL 23 3HG2 VAL 23 -15.718 13.633 -8.618 230 H HIS 24 H HIS 24 -10.539 13.943 -10.362 231 HA HIS 24 HA HIS 24 -10.132 11.509 -11.966 232 1HB HIS 24 2HB HIS 24 -9.385 13.783 -13.005 233 2HB HIS 24 1HB HIS 24 -8.053 13.672 -11.856 234 HD1 HIS 24 1HD HIS 24 -8.184 10.362 -12.376 235 HD2 HIS 24 2HD HIS 24 -7.369 13.454 -15.030 236 HE1 HIS 24 1HE HIS 24 -6.877 9.313 -14.250 237 HE2 HIS 24 2HE HIS 24 -6.477 11.182 -15.889 238 H VAL 25 H VAL 25 -10.166 10.329 -9.989 239 HA VAL 25 HA VAL 25 -8.287 10.912 -7.901 240 HB VAL 25 HB VAL 25 -9.809 8.342 -8.326 241 1HG1 VAL 25 1HG1 VAL 25 -7.820 8.803 -6.576 242 2HG1 VAL 25 2HG1 VAL 25 -9.174 7.720 -6.250 243 3HG1 VAL 25 3HG1 VAL 25 -9.197 9.372 -5.631 244 1HG2 VAL 25 1HG2 VAL 25 -11.345 10.248 -8.334 245 2HG2 VAL 25 2HG2 VAL 25 -10.662 10.804 -6.806 246 3HG2 VAL 25 3HG2 VAL 25 -11.534 9.272 -6.877 247 H SER 26 H SER 26 -6.184 10.744 -8.415 248 HA SER 26 HA SER 26 -5.166 8.117 -9.098 249 1HB SER 26 2HB SER 26 -4.325 10.483 -10.776 250 2HB SER 26 1HB SER 26 -3.926 8.785 -11.028 251 HG SER 26 HG SER 26 -5.732 8.551 -12.063 252 H ASP 27 H ASP 27 -5.104 10.150 -6.880 253 HA ASP 27 HA ASP 27 -2.203 10.088 -6.487 254 1HB ASP 27 2HB ASP 27 -3.885 12.506 -5.804 255 2HB ASP 27 1HB ASP 27 -2.138 12.350 -5.660 256 H LEU 28 H LEU 28 -1.541 9.900 -4.330 257 HA LEU 28 HA LEU 28 -3.646 8.946 -2.539 258 1HB LEU 28 2HB LEU 28 -0.715 8.482 -2.784 259 2HB LEU 28 1HB LEU 28 -1.442 8.321 -1.195 260 HG LEU 28 HG LEU 28 -2.802 6.876 -3.389 261 1HD1 LEU 28 1HD1 LEU 28 -0.788 6.136 -4.156 262 2HD1 LEU 28 2HD1 LEU 28 -1.041 4.984 -2.842 263 3HD1 LEU 28 3HD1 LEU 28 0.017 6.375 -2.606 264 1HD2 LEU 28 1HD2 LEU 28 -1.980 5.574 -0.876 265 2HD2 LEU 28 2HD2 LEU 28 -3.533 5.560 -1.711 266 3HD2 LEU 28 3HD2 LEU 28 -3.082 6.942 -0.713 267 H SER 29 H SER 29 -3.459 11.746 -2.924 268 HA SER 29 HA SER 29 -3.453 12.632 -0.255 269 1HB SER 29 2HB SER 29 -1.062 12.533 -0.316 270 2HB SER 29 1HB SER 29 -1.008 13.343 -1.881 271 HG SER 29 HG SER 29 -1.046 14.422 0.574 272 H SER 30 H SER 30 -2.220 14.399 -3.076 273 HA SER 30 HA SER 30 -3.832 16.625 -2.771 274 1HB SER 30 2HB SER 30 -2.684 15.508 -5.339 275 2HB SER 30 1HB SER 30 -3.278 17.155 -5.117 276 HG SER 30 HG SER 30 -1.662 17.242 -3.351 277 H SER 31 H SER 31 -4.579 13.564 -4.257 278 HA SER 31 HA SER 31 -6.830 14.390 -5.755 279 1HB SER 31 2HB SER 31 -5.573 11.866 -4.995 280 2HB SER 31 1HB SER 31 -7.330 11.750 -5.073 281 HG SER 31 HG SER 31 -7.248 12.505 -7.190 282 H TRP 32 H TRP 32 -6.366 13.675 -2.386 283 HA TRP 32 HA TRP 32 -9.247 13.601 -1.903 284 1HB TRP 32 2HB TRP 32 -6.989 13.253 0.075 285 2HB TRP 32 1HB TRP 32 -8.692 12.900 0.348 286 HD1 TRP 32 HD TRP 32 -5.773 11.644 -1.871 287 HE1 TRP 32 1HE TRP 32 -6.140 9.135 -2.318 288 HE3 TRP 32 3HE TRP 32 -10.299 11.063 0.434 289 HZ2 TRP 32 2HZ TRP 32 -8.092 7.171 -1.766 290 HZ3 TRP 32 3HZ TRP 32 -11.349 8.838 0.429 291 HH2 TRP 32 HH TRP 32 -10.267 6.933 -0.649 292 H ALA 33 H ALA 33 -7.369 16.035 -2.530 293 HA ALA 33 HA ALA 33 -7.322 17.730 -0.315 294 1HB ALA 33 1HB ALA 33 -6.275 17.995 -2.678 295 2HB ALA 33 2HB ALA 33 -6.753 19.429 -1.770 296 3HB ALA 33 3HB ALA 33 -7.789 18.817 -3.060 297 H ASP 34 H ASP 34 -9.735 17.629 -2.945 298 HA ASP 34 HA ASP 34 -11.539 19.283 -1.383 299 1HB ASP 34 2HB ASP 34 -13.025 19.034 -3.426 300 2HB ASP 34 1HB ASP 34 -11.482 19.837 -3.692 301 H GLY 35 H GLY 35 -10.796 16.175 -1.107 302 1HA GLY 35 2HA GLY 35 -11.864 14.361 -0.201 303 2HA GLY 35 1HA GLY 35 -13.154 15.464 0.251 304 H LEU 36 H LEU 36 -12.111 14.877 -3.052 305 HA LEU 36 HA LEU 36 -14.786 14.245 -3.847 306 1HB LEU 36 2HB LEU 36 -12.232 14.803 -5.147 307 2HB LEU 36 1HB LEU 36 -13.165 13.573 -5.979 308 HG LEU 36 HG LEU 36 -13.545 15.874 -6.837 309 1HD1 LEU 36 1HD1 LEU 36 -16.159 15.119 -5.697 310 2HD1 LEU 36 2HD1 LEU 36 -15.301 13.862 -6.589 311 3HD1 LEU 36 3HD1 LEU 36 -15.683 15.396 -7.372 312 1HD2 LEU 36 1HD2 LEU 36 -13.685 16.531 -4.134 313 2HD2 LEU 36 2HD2 LEU 36 -15.337 16.699 -4.727 314 3HD2 LEU 36 3HD2 LEU 36 -14.027 17.588 -5.504 315 H ALA 37 H ALA 37 -11.793 12.395 -3.460 316 HA ALA 37 HA ALA 37 -12.724 9.967 -4.521 317 1HB ALA 37 1HB ALA 37 -10.363 10.388 -4.157 318 2HB ALA 37 2HB ALA 37 -10.862 8.934 -3.293 319 3HB ALA 37 3HB ALA 37 -10.619 10.443 -2.413 320 H LEU 38 H LEU 38 -12.663 11.158 -1.170 321 HA LEU 38 HA LEU 38 -13.857 8.841 -0.052 322 1HB LEU 38 2HB LEU 38 -12.518 10.635 1.153 323 2HB LEU 38 1HB LEU 38 -13.968 11.621 1.103 324 HG LEU 38 HG LEU 38 -15.149 9.758 2.340 325 1HD1 LEU 38 1HD1 LEU 38 -13.154 8.171 1.705 326 2HD1 LEU 38 2HD1 LEU 38 -14.025 7.975 3.227 327 3HD1 LEU 38 3HD1 LEU 38 -12.467 8.800 3.202 328 1HD2 LEU 38 1HD2 LEU 38 -12.835 10.870 3.895 329 2HD2 LEU 38 2HD2 LEU 38 -14.486 10.568 4.436 330 3HD2 LEU 38 3HD2 LEU 38 -14.151 11.895 3.324 331 H CYS 39 H CYS 39 -15.139 11.945 -1.149 332 HA CYS 39 HA CYS 39 -17.797 11.544 -0.311 333 1HB CYS 39 2HB CYS 39 -16.428 13.348 -2.248 334 2HB CYS 39 1HB CYS 39 -18.177 13.203 -2.353 335 HG CYS 39 HG CYS 39 -18.366 14.715 -0.447 336 H ALA 40 H ALA 40 -16.203 10.956 -3.428 337 HA ALA 40 HA ALA 40 -18.406 10.084 -4.880 338 1HB ALA 40 1HB ALA 40 -16.544 10.419 -6.186 339 2HB ALA 40 2HB ALA 40 -16.577 8.658 -6.093 340 3HB ALA 40 3HB ALA 40 -15.473 9.574 -5.068 341 H LEU 41 H LEU 41 -16.235 8.259 -2.758 342 HA LEU 41 HA LEU 41 -17.247 5.700 -3.285 343 1HB LEU 41 2HB LEU 41 -16.007 6.811 -0.768 344 2HB LEU 41 1HB LEU 41 -16.304 5.107 -1.055 345 HG LEU 41 HG LEU 41 -14.645 6.622 -3.020 346 1HD1 LEU 41 1HD1 LEU 41 -13.986 6.879 -0.429 347 2HD1 LEU 41 2HD1 LEU 41 -12.802 6.776 -1.732 348 3HD1 LEU 41 3HD1 LEU 41 -13.205 5.340 -0.790 349 1HD2 LEU 41 1HD2 LEU 41 -15.072 4.425 -3.686 350 2HD2 LEU 41 2HD2 LEU 41 -14.881 3.794 -2.052 351 3HD2 LEU 41 3HD2 LEU 41 -13.470 4.344 -2.955 352 H VAL 42 H VAL 42 -18.067 7.960 -0.655 353 HA VAL 42 HA VAL 42 -20.069 6.389 0.517 354 HB VAL 42 HB VAL 42 -20.031 9.406 0.487 355 1HG1 VAL 42 1HG1 VAL 42 -22.039 8.543 1.445 356 2HG1 VAL 42 2HG1 VAL 42 -21.007 9.083 2.768 357 3HG1 VAL 42 3HG1 VAL 42 -21.144 7.364 2.401 358 1HG2 VAL 42 1HG2 VAL 42 -18.809 8.603 2.825 359 2HG2 VAL 42 2HG2 VAL 42 -18.002 9.270 1.408 360 3HG2 VAL 42 3HG2 VAL 42 -18.120 7.523 1.614 361 H TYR 43 H TYR 43 -20.289 8.944 -1.941 362 HA TYR 43 HA TYR 43 -23.051 9.073 -2.196 363 1HB TYR 43 2HB TYR 43 -21.350 10.583 -3.287 364 2HB TYR 43 1HB TYR 43 -21.091 9.319 -4.485 365 HD1 TYR 43 1HD TYR 43 -23.973 11.142 -2.942 366 HD2 TYR 43 2HD TYR 43 -22.214 9.560 -6.477 367 HE1 TYR 43 1HE TYR 43 -25.853 12.021 -4.263 368 HE2 TYR 43 2HE TYR 43 -24.087 10.434 -7.808 369 HH TYR 43 HH TYR 43 -25.799 12.374 -7.526 370 H ARG 44 H ARG 44 -20.759 6.809 -3.630 371 HA ARG 44 HA ARG 44 -22.587 5.559 -5.393 372 1HB ARG 44 2HB ARG 44 -19.987 5.451 -5.305 373 2HB ARG 44 1HB ARG 44 -20.249 4.120 -4.185 374 1HG ARG 44 2HG ARG 44 -20.039 3.035 -6.206 375 2HG ARG 44 1HG ARG 44 -21.790 3.182 -6.042 376 1HD ARG 44 2HD ARG 44 -21.609 5.308 -7.395 377 2HD ARG 44 1HD ARG 44 -19.939 4.851 -7.731 378 HE ARG 44 HE ARG 44 -21.356 2.655 -8.452 379 1HH1 ARG 44 1HH1 ARG 44 -21.575 6.037 -9.281 380 2HH1 ARG 44 2HH1 ARG 44 -22.202 5.736 -10.868 381 1HH2 ARG 44 1HH2 ARG 44 -22.180 2.257 -10.538 382 2HH2 ARG 44 2HH2 ARG 44 -22.545 3.591 -11.582 383 H LEU 45 H LEU 45 -21.575 4.851 -2.077 384 HA LEU 45 HA LEU 45 -23.193 2.484 -1.896 385 1HB LEU 45 2HB LEU 45 -21.410 4.015 -0.084 386 2HB LEU 45 1HB LEU 45 -22.636 3.011 0.666 387 HG LEU 45 HG LEU 45 -20.386 1.931 0.398 388 1HD1 LEU 45 1HD1 LEU 45 -21.527 -0.122 -0.876 389 2HD1 LEU 45 2HD1 LEU 45 -22.968 0.829 -0.523 390 3HD1 LEU 45 3HD1 LEU 45 -21.912 0.308 0.790 391 1HD2 LEU 45 1HD2 LEU 45 -19.602 1.247 -1.713 392 2HD2 LEU 45 2HD2 LEU 45 -20.034 2.946 -1.902 393 3HD2 LEU 45 3HD2 LEU 45 -21.113 1.690 -2.508 394 H GLN 46 H GLN 46 -23.556 5.868 -1.101 395 HA GLN 46 HA GLN 46 -26.382 5.398 -0.540 396 1HB GLN 46 2HB GLN 46 -26.237 6.962 1.437 397 2HB GLN 46 1HB GLN 46 -25.515 5.376 1.675 398 1HG GLN 46 2HG GLN 46 -23.337 6.224 1.538 399 2HG GLN 46 1HG GLN 46 -23.884 7.748 0.839 400 1HE2 GLN 46 1HE2 GLN 46 -25.740 8.692 2.404 401 2HE2 GLN 46 2HE2 GLN 46 -25.200 8.889 4.034 402 HA PRO 47 HA PRO 47 -25.474 9.137 -3.195 403 1HB PRO 47 2HB PRO 47 -27.108 8.445 -5.244 404 2HB PRO 47 1HB PRO 47 -25.429 7.904 -5.139 405 1HG PRO 47 2HG PRO 47 -27.938 6.439 -4.419 406 2HG PRO 47 1HG PRO 47 -26.507 5.850 -5.285 407 1HD PRO 47 2HD PRO 47 -26.941 5.347 -2.654 408 2HD PRO 47 1HD PRO 47 -25.314 5.518 -3.342 409 H GLY 48 H GLY 48 -28.392 7.460 -2.217 410 1HA GLY 48 2HA GLY 48 -30.129 9.702 -2.717 411 2HA GLY 48 1HA GLY 48 -30.556 8.214 -1.888 412 H LEU 49 H LEU 49 -27.855 9.132 -0.343 413 HA LEU 49 HA LEU 49 -29.266 10.952 1.489 414 1HB LEU 49 2HB LEU 49 -28.172 8.295 2.015 415 2HB LEU 49 1HB LEU 49 -27.575 9.511 3.126 416 HG LEU 49 HG LEU 49 -30.500 8.985 2.604 417 1HD1 LEU 49 1HD1 LEU 49 -30.593 7.661 4.503 418 2HD1 LEU 49 2HD1 LEU 49 -29.043 8.244 5.108 419 3HD1 LEU 49 3HD1 LEU 49 -29.092 7.140 3.736 420 1HD2 LEU 49 1HD2 LEU 49 -29.794 11.280 3.383 421 2HD2 LEU 49 2HD2 LEU 49 -29.225 10.508 4.862 422 3HD2 LEU 49 3HD2 LEU 49 -30.931 10.430 4.429 423 H LEU 50 H LEU 50 -27.221 11.378 -0.635 424 HA LEU 50 HA LEU 50 -25.393 12.945 1.001 425 1HB LEU 50 2HB LEU 50 -24.624 10.492 -0.231 426 2HB LEU 50 1HB LEU 50 -23.815 11.799 -1.072 427 HG LEU 50 HG LEU 50 -23.290 12.547 1.448 428 1HD1 LEU 50 1HD1 LEU 50 -24.237 10.878 2.719 429 2HD1 LEU 50 2HD1 LEU 50 -22.585 10.290 2.540 430 3HD1 LEU 50 3HD1 LEU 50 -23.871 9.622 1.537 431 1HD2 LEU 50 1HD2 LEU 50 -21.858 10.692 -0.409 432 2HD2 LEU 50 2HD2 LEU 50 -21.161 11.092 1.159 433 3HD2 LEU 50 3HD2 LEU 50 -21.501 12.370 -0.007 434 H GLU 51 H GLU 51 -24.319 14.624 -0.156 435 HA GLU 51 HA GLU 51 -25.224 15.123 -2.893 436 1HB GLU 51 2HB GLU 51 -25.563 17.082 -0.614 437 2HB GLU 51 1HB GLU 51 -25.809 17.466 -2.312 438 1HG GLU 51 2HG GLU 51 -27.351 15.161 -1.642 439 2HG GLU 51 1HG GLU 51 -27.666 16.435 -0.466 440 HA PRO 52 HA PRO 52 -20.717 16.220 -1.624 441 1HB PRO 52 2HB PRO 52 -19.586 14.451 -3.419 442 2HB PRO 52 1HB PRO 52 -19.814 14.136 -1.697 443 1HG PRO 52 2HG PRO 52 -21.489 13.284 -4.019 444 2HG PRO 52 1HG PRO 52 -21.040 12.375 -2.564 445 1HD PRO 52 2HD PRO 52 -23.471 13.472 -2.833 446 2HD PRO 52 1HD PRO 52 -22.646 13.423 -1.261 447 H SER 53 H SER 53 -22.649 15.932 -4.476 448 HA SER 53 HA SER 53 -20.934 16.950 -6.417 449 1HB SER 53 2HB SER 53 -23.880 16.813 -6.063 450 2HB SER 53 1HB SER 53 -23.279 17.966 -7.253 451 HG SER 53 HG SER 53 -22.557 15.222 -7.171 452 H GLU 54 H GLU 54 -23.035 18.631 -4.126 453 HA GLU 54 HA GLU 54 -22.377 21.243 -5.062 454 1HB GLU 54 2HB GLU 54 -23.906 20.088 -2.801 455 2HB GLU 54 1HB GLU 54 -23.270 21.709 -2.560 456 1HG GLU 54 2HG GLU 54 -24.482 22.559 -4.403 457 2HG GLU 54 1HG GLU 54 -24.904 20.940 -4.959 458 H LEU 55 H LEU 55 -21.388 19.355 -2.219 459 HA LEU 55 HA LEU 55 -19.533 21.291 -1.277 460 1HB LEU 55 2HB LEU 55 -19.625 18.337 -0.672 461 2HB LEU 55 1HB LEU 55 -18.801 19.567 0.266 462 HG LEU 55 HG LEU 55 -21.367 20.516 0.259 463 1HD1 LEU 55 1HD1 LEU 55 -21.894 17.717 0.968 464 2HD1 LEU 55 2HD1 LEU 55 -21.728 18.034 -0.758 465 3HD1 LEU 55 3HD1 LEU 55 -22.932 18.909 0.187 466 1HD2 LEU 55 1HD2 LEU 55 -19.990 20.456 2.208 467 2HD2 LEU 55 2HD2 LEU 55 -19.980 18.692 2.215 468 3HD2 LEU 55 3HD2 LEU 55 -21.470 19.568 2.569 469 H GLN 56 H GLN 56 -19.379 19.188 -3.898 470 HA GLN 56 HA GLN 56 -16.726 18.313 -3.847 471 1HB GLN 56 2HB GLN 56 -18.286 17.384 -5.428 472 2HB GLN 56 1HB GLN 56 -18.552 18.958 -6.164 473 1HG GLN 56 2HG GLN 56 -15.760 18.251 -6.223 474 2HG GLN 56 1HG GLN 56 -16.751 16.997 -6.966 475 1HE2 GLN 56 1HE2 GLN 56 -18.622 18.107 -8.323 476 2HE2 GLN 56 2HE2 GLN 56 -18.050 19.268 -9.468 477 H GLY 57 H GLY 57 -18.124 21.388 -4.792 478 1HA GLY 57 2HA GLY 57 -15.376 22.408 -5.149 479 2HA GLY 57 1HA GLY 57 -16.670 22.871 -6.245 480 H LEU 58 H LEU 58 -17.955 22.556 -3.187 481 HA LEU 58 HA LEU 58 -18.089 25.435 -2.882 482 1HB LEU 58 2HB LEU 58 -19.661 23.149 -2.044 483 2HB LEU 58 1HB LEU 58 -19.374 24.246 -0.707 484 HG LEU 58 HG LEU 58 -20.112 25.909 -2.813 485 1HD1 LEU 58 1HD1 LEU 58 -20.888 24.031 -4.116 486 2HD1 LEU 58 2HD1 LEU 58 -22.268 24.969 -3.545 487 3HD1 LEU 58 3HD1 LEU 58 -21.850 23.447 -2.758 488 1HD2 LEU 58 1HD2 LEU 58 -22.383 25.731 -1.401 489 2HD2 LEU 58 2HD2 LEU 58 -20.956 26.593 -0.830 490 3HD2 LEU 58 3HD2 LEU 58 -21.275 24.951 -0.273 491 H GLY 59 H GLY 59 -16.468 22.719 -1.445 492 1HA GLY 59 2HA GLY 59 -14.562 24.281 -0.124 493 2HA GLY 59 1HA GLY 59 -15.807 23.876 1.046 494 H ALA 60 H ALA 60 -12.864 23.005 0.112 495 HA ALA 60 HA ALA 60 -12.943 20.230 -0.257 496 1HB ALA 60 1HB ALA 60 -10.565 20.469 0.885 497 2HB ALA 60 2HB ALA 60 -10.878 22.182 0.605 498 3HB ALA 60 3HB ALA 60 -10.874 21.053 -0.750 499 H LEU 61 H LEU 61 -12.179 22.016 2.738 500 HA LEU 61 HA LEU 61 -12.227 19.768 4.419 501 1HB LEU 61 2HB LEU 61 -11.274 22.097 4.872 502 2HB LEU 61 1HB LEU 61 -12.912 22.565 5.291 503 HG LEU 61 HG LEU 61 -11.795 20.178 6.662 504 1HD1 LEU 61 1HD1 LEU 61 -10.669 21.576 8.326 505 2HD1 LEU 61 2HD1 LEU 61 -10.971 23.000 7.330 506 3HD1 LEU 61 3HD1 LEU 61 -9.916 21.717 6.738 507 1HD2 LEU 61 1HD2 LEU 61 -13.100 21.040 8.509 508 2HD2 LEU 61 2HD2 LEU 61 -14.090 20.977 7.050 509 3HD2 LEU 61 3HD2 LEU 61 -13.443 22.519 7.610 510 H GLU 62 H GLU 62 -14.750 22.015 3.422 511 HA GLU 62 HA GLU 62 -16.743 21.228 5.229 512 1HB GLU 62 2HB GLU 62 -16.601 23.155 3.387 513 2HB GLU 62 1HB GLU 62 -17.530 21.984 2.462 514 1HG GLU 62 2HG GLU 62 -19.306 22.919 3.425 515 2HG GLU 62 1HG GLU 62 -18.849 21.977 4.843 516 H ALA 63 H ALA 63 -15.973 20.035 1.975 517 HA ALA 63 HA ALA 63 -18.079 18.173 1.804 518 1HB ALA 63 1HB ALA 63 -16.267 17.060 0.186 519 2HB ALA 63 2HB ALA 63 -15.552 18.664 0.347 520 3HB ALA 63 3HB ALA 63 -17.198 18.490 -0.260 521 H THR 64 H THR 64 -14.776 17.906 3.027 522 HA THR 64 HA THR 64 -14.817 15.106 3.443 523 HB THR 64 HB THR 64 -13.162 16.917 5.155 524 HG1 THR 64 1HG THR 64 -12.828 16.524 2.369 525 1HG2 THR 64 1HG2 THR 64 -12.260 14.557 3.548 526 2HG2 THR 64 2HG2 THR 64 -12.976 14.381 5.150 527 3HG2 THR 64 3HG2 THR 64 -11.490 15.307 4.947 528 H ALA 65 H ALA 65 -15.305 17.835 5.679 529 HA ALA 65 HA ALA 65 -15.820 16.309 7.969 530 1HB ALA 65 1HB ALA 65 -15.479 18.917 7.558 531 2HB ALA 65 2HB ALA 65 -16.272 18.282 9.001 532 3HB ALA 65 3HB ALA 65 -17.239 18.892 7.660 533 H TRP 66 H TRP 66 -18.022 17.591 5.502 534 HA TRP 66 HA TRP 66 -20.407 16.728 6.756 535 1HB TRP 66 2HB TRP 66 -19.884 18.348 4.664 536 2HB TRP 66 1HB TRP 66 -20.354 16.890 3.796 537 HD1 TRP 66 HD TRP 66 -21.768 19.571 6.134 538 HE1 TRP 66 1HE TRP 66 -24.338 19.463 6.050 539 HE3 TRP 66 3HE TRP 66 -22.311 15.320 3.345 540 HZ2 TRP 66 2HZ TRP 66 -26.332 17.795 4.948 541 HZ3 TRP 66 3HZ TRP 66 -24.583 14.537 2.821 542 HH2 TRP 66 HH TRP 66 -26.550 15.750 3.606 543 H ALA 67 H ALA 67 -18.268 15.244 4.371 544 HA ALA 67 HA ALA 67 -19.922 12.984 3.875 545 1HB ALA 67 1HB ALA 67 -17.527 12.076 3.132 546 2HB ALA 67 2HB ALA 67 -17.160 13.801 3.190 547 3HB ALA 67 3HB ALA 67 -18.461 13.210 2.156 548 H LEU 68 H LEU 68 -17.232 13.611 6.079 549 HA LEU 68 HA LEU 68 -16.895 10.970 6.994 550 1HB LEU 68 2HB LEU 68 -15.403 13.060 7.316 551 2HB LEU 68 1HB LEU 68 -16.413 13.383 8.711 552 HG LEU 68 HG LEU 68 -15.631 10.694 8.960 553 1HD1 LEU 68 1HD1 LEU 68 -13.463 10.471 8.407 554 2HD1 LEU 68 2HD1 LEU 68 -13.083 12.152 8.779 555 3HD1 LEU 68 3HD1 LEU 68 -13.837 11.738 7.239 556 1HD2 LEU 68 1HD2 LEU 68 -15.158 13.266 10.338 557 2HD2 LEU 68 2HD2 LEU 68 -14.062 11.941 10.732 558 3HD2 LEU 68 3HD2 LEU 68 -15.800 11.745 10.958 559 H LYS 69 H LYS 69 -18.939 13.621 8.141 560 HA LYS 69 HA LYS 69 -19.884 12.246 10.445 561 1HB LYS 69 2HB LYS 69 -19.961 14.821 9.665 562 2HB LYS 69 1HB LYS 69 -21.590 14.334 9.215 563 1HG LYS 69 2HG LYS 69 -21.043 13.350 11.829 564 2HG LYS 69 1HG LYS 69 -20.610 15.059 11.764 565 1HD LYS 69 2HD LYS 69 -22.875 15.033 12.383 566 2HD LYS 69 1HD LYS 69 -22.884 15.418 10.661 567 1HE LYS 69 2HE LYS 69 -23.539 13.225 10.076 568 2HE LYS 69 1HE LYS 69 -23.194 12.612 11.693 569 1HZ LYS 69 1HZ LYS 69 -25.149 13.359 12.493 570 2HZ LYS 69 2HZ LYS 69 -25.629 13.240 10.876 571 3HZ LYS 69 3HZ LYS 69 -25.170 14.738 11.513 572 H VAL 70 H VAL 70 -21.309 12.833 7.235 573 HA VAL 70 HA VAL 70 -23.694 11.389 7.761 574 HB VAL 70 HB VAL 70 -24.054 11.437 5.323 575 1HG1 VAL 70 1HG1 VAL 70 -23.070 14.168 5.783 576 2HG1 VAL 70 2HG1 VAL 70 -24.122 13.525 7.045 577 3HG1 VAL 70 3HG1 VAL 70 -24.686 13.594 5.375 578 1HG2 VAL 70 1HG2 VAL 70 -22.038 11.148 4.259 579 2HG2 VAL 70 2HG2 VAL 70 -21.187 12.255 5.336 580 3HG2 VAL 70 3HG2 VAL 70 -22.255 12.889 4.084 581 H ALA 71 H ALA 71 -20.666 10.509 6.121 582 HA ALA 71 HA ALA 71 -21.378 7.969 5.246 583 1HB ALA 71 1HB ALA 71 -18.659 8.775 6.275 584 2HB ALA 71 2HB ALA 71 -19.273 9.157 4.666 585 3HB ALA 71 3HB ALA 71 -19.026 7.476 5.139 586 H GLU 72 H GLU 72 -20.008 8.981 8.352 587 HA GLU 72 HA GLU 72 -19.960 6.370 9.478 588 1HB GLU 72 2HB GLU 72 -18.514 8.122 10.345 589 2HB GLU 72 1HB GLU 72 -19.910 9.099 10.781 590 1HG GLU 72 2HG GLU 72 -20.312 6.663 12.067 591 2HG GLU 72 1HG GLU 72 -18.593 7.006 12.258 592 H ASN 73 H ASN 73 -22.275 9.018 9.469 593 HA ASN 73 HA ASN 73 -24.031 7.919 11.399 594 1HB ASN 73 2HB ASN 73 -24.069 10.163 9.490 595 2HB ASN 73 1HB ASN 73 -25.653 9.512 9.904 596 1HD2 ASN 73 1HD2 ASN 73 -26.526 10.823 11.334 597 2HD2 ASN 73 2HD2 ASN 73 -25.753 11.439 12.751 598 H GLU 74 H GLU 74 -23.924 7.745 7.868 599 HA GLU 74 HA GLU 74 -26.363 6.230 7.715 600 1HB GLU 74 2HB GLU 74 -24.949 7.794 5.947 601 2HB GLU 74 1HB GLU 74 -24.645 6.168 5.351 602 1HG GLU 74 2HG GLU 74 -27.441 6.856 6.027 603 2HG GLU 74 1HG GLU 74 -26.742 7.614 4.596 604 H LEU 75 H LEU 75 -22.902 5.486 7.375 605 HA LEU 75 HA LEU 75 -23.570 2.661 7.036 606 1HB LEU 75 2HB LEU 75 -21.090 4.277 6.602 607 2HB LEU 75 1HB LEU 75 -20.986 2.535 6.768 608 HG LEU 75 HG LEU 75 -23.031 3.072 4.874 609 1HD1 LEU 75 1HD1 LEU 75 -22.122 5.266 4.518 610 2HD1 LEU 75 2HD1 LEU 75 -21.695 4.242 3.146 611 3HD1 LEU 75 3HD1 LEU 75 -20.490 4.613 4.379 612 1HD2 LEU 75 1HD2 LEU 75 -21.976 1.099 4.504 613 2HD2 LEU 75 2HD2 LEU 75 -20.398 1.724 4.984 614 3HD2 LEU 75 3HD2 LEU 75 -21.045 2.098 3.386 615 H GLY 76 H GLY 76 -21.775 4.778 9.244 616 1HA GLY 76 2HA GLY 76 -21.657 4.361 11.587 617 2HA GLY 76 1HA GLY 76 -21.976 2.665 11.271 618 H ILE 77 H ILE 77 -19.614 4.397 9.394 619 HA ILE 77 HA ILE 77 -17.550 2.589 10.289 620 HB ILE 77 HB ILE 77 -17.723 3.213 7.916 621 1HG1 ILE 77 2HG1 ILE 77 -15.139 4.341 8.972 622 2HG1 ILE 77 1HG1 ILE 77 -15.518 2.629 9.122 623 1HG2 ILE 77 1HG2 ILE 77 -16.523 5.866 8.284 624 2HG2 ILE 77 2HG2 ILE 77 -18.209 5.733 8.786 625 3HG2 ILE 77 3HG2 ILE 77 -17.745 5.318 7.136 626 1HD1 ILE 77 1HD1 ILE 77 -15.605 2.373 6.755 627 2HD1 ILE 77 2HD1 ILE 77 -14.107 3.210 7.165 628 3HD1 ILE 77 3HD1 ILE 77 -15.473 4.114 6.510 629 H THR 78 H THR 78 -16.064 2.973 11.793 630 HA THR 78 HA THR 78 -16.123 5.393 13.310 631 HB THR 78 HB THR 78 -15.677 3.372 14.491 632 HG1 THR 78 1HG THR 78 -14.389 5.289 15.036 633 1HG2 THR 78 1HG2 THR 78 -13.213 2.418 13.897 634 2HG2 THR 78 2HG2 THR 78 -13.831 2.817 12.294 635 3HG2 THR 78 3HG2 THR 78 -14.729 1.715 13.337 636 HA PRO 79 HA PRO 79 -13.369 7.657 10.552 637 1HB PRO 79 2HB PRO 79 -13.202 9.372 12.984 638 2HB PRO 79 1HB PRO 79 -13.535 9.823 11.307 639 1HG PRO 79 2HG PRO 79 -15.497 9.745 13.102 640 2HG PRO 79 1HG PRO 79 -15.763 9.192 11.439 641 1HD PRO 79 2HD PRO 79 -15.379 7.594 13.933 642 2HD PRO 79 1HD PRO 79 -16.427 7.273 12.536 643 H VAL 80 H VAL 80 -11.191 7.672 10.306 644 HA VAL 80 HA VAL 80 -9.571 6.806 12.612 645 HB VAL 80 HB VAL 80 -8.941 6.319 9.700 646 1HG1 VAL 80 1HG1 VAL 80 -7.549 5.810 12.248 647 2HG1 VAL 80 2HG1 VAL 80 -6.899 6.069 10.630 648 3HG1 VAL 80 3HG1 VAL 80 -7.534 4.488 11.083 649 1HG2 VAL 80 1HG2 VAL 80 -10.997 5.133 10.555 650 2HG2 VAL 80 2HG2 VAL 80 -9.939 4.290 11.686 651 3HG2 VAL 80 3HG2 VAL 80 -9.710 4.090 9.949 652 H VAL 81 H VAL 81 -10.101 9.307 10.370 653 HA VAL 81 HA VAL 81 -7.725 10.693 11.331 654 HB VAL 81 HB VAL 81 -7.237 11.508 8.989 655 1HG1 VAL 81 1HG1 VAL 81 -6.717 8.616 8.877 656 2HG1 VAL 81 2HG1 VAL 81 -6.229 9.413 10.373 657 3HG1 VAL 81 3HG1 VAL 81 -5.596 9.978 8.826 658 1HG2 VAL 81 1HG2 VAL 81 -8.806 9.078 8.150 659 2HG2 VAL 81 2HG2 VAL 81 -8.017 10.263 7.111 660 3HG2 VAL 81 3HG2 VAL 81 -9.430 10.725 8.062 661 H SER 82 H SER 82 -7.780 13.015 10.858 662 HA SER 82 HA SER 82 -10.490 14.022 11.075 663 1HB SER 82 2HB SER 82 -7.767 15.071 11.630 664 2HB SER 82 1HB SER 82 -8.997 16.256 11.192 665 HG SER 82 HG SER 82 -8.858 15.818 13.471 666 H ALA 83 H ALA 83 -11.221 15.874 9.812 667 HA ALA 83 HA ALA 83 -10.967 15.436 7.040 668 1HB ALA 83 1HB ALA 83 -12.297 17.485 8.739 669 2HB ALA 83 2HB ALA 83 -12.988 16.377 7.553 670 3HB ALA 83 3HB ALA 83 -12.109 17.809 7.015 671 H GLN 84 H GLN 84 -9.608 17.917 9.178 672 HA GLN 84 HA GLN 84 -8.401 19.522 7.247 673 1HB GLN 84 2HB GLN 84 -8.648 19.922 9.770 674 2HB GLN 84 1HB GLN 84 -7.175 18.978 9.943 675 1HG GLN 84 2HG GLN 84 -5.976 20.567 8.541 676 2HG GLN 84 1HG GLN 84 -7.455 21.504 8.326 677 1HE2 GLN 84 1HE2 GLN 84 -5.403 20.186 10.901 678 2HE2 GLN 84 2HE2 GLN 84 -5.540 21.553 11.948 679 H ALA 85 H ALA 85 -7.199 16.619 8.872 680 HA ALA 85 HA ALA 85 -4.585 16.691 7.823 681 1HB ALA 85 1HB ALA 85 -4.644 15.214 9.539 682 2HB ALA 85 2HB ALA 85 -4.926 14.067 8.228 683 3HB ALA 85 3HB ALA 85 -6.285 14.682 9.169 684 H VAL 86 H VAL 86 -7.575 15.220 6.647 685 HA VAL 86 HA VAL 86 -6.452 13.812 4.482 686 HB VAL 86 HB VAL 86 -9.243 14.955 4.623 687 1HG1 VAL 86 1HG1 VAL 86 -8.345 12.448 3.232 688 2HG1 VAL 86 2HG1 VAL 86 -8.349 14.020 2.431 689 3HG1 VAL 86 3HG1 VAL 86 -9.856 13.333 3.034 690 1HG2 VAL 86 1HG2 VAL 86 -9.877 13.363 6.076 691 2HG2 VAL 86 2HG2 VAL 86 -8.166 13.309 6.499 692 3HG2 VAL 86 3HG2 VAL 86 -8.829 12.143 5.353 693 H VAL 87 H VAL 87 -8.055 16.994 4.597 694 HA VAL 87 HA VAL 87 -7.715 17.620 1.882 695 HB VAL 87 HB VAL 87 -7.840 19.593 4.165 696 1HG1 VAL 87 1HG1 VAL 87 -7.372 20.890 2.335 697 2HG1 VAL 87 2HG1 VAL 87 -9.132 20.830 2.233 698 3HG1 VAL 87 3HG1 VAL 87 -8.152 19.779 1.210 699 1HG2 VAL 87 1HG2 VAL 87 -10.365 19.484 3.212 700 2HG2 VAL 87 2HG2 VAL 87 -9.797 18.563 4.603 701 3HG2 VAL 87 3HG2 VAL 87 -9.875 17.802 3.015 702 H ALA 88 H ALA 88 -5.582 17.937 4.634 703 HA ALA 88 HA ALA 88 -3.677 19.573 3.196 704 1HB ALA 88 1HB ALA 88 -3.092 18.230 5.802 705 2HB ALA 88 2HB ALA 88 -4.190 19.608 5.732 706 3HB ALA 88 3HB ALA 88 -2.522 19.782 5.191 707 H GLY 89 H GLY 89 -4.349 16.250 3.448 708 1HA GLY 89 2HA GLY 89 -3.226 14.372 2.760 709 2HA GLY 89 1HA GLY 89 -2.355 15.452 1.684 710 H SER 90 H SER 90 -2.304 15.551 5.207 711 HA SER 90 HA SER 90 0.570 14.924 5.093 712 1HB SER 90 2HB SER 90 0.056 16.091 7.581 713 2HB SER 90 1HB SER 90 0.808 16.871 6.190 714 HG SER 90 HG SER 90 -1.082 17.795 5.663 715 H ASP 91 H ASP 91 -1.579 12.962 5.228 716 HA ASP 91 HA ASP 91 -0.621 11.514 7.556 717 1HB ASP 91 2HB ASP 91 -2.869 12.914 7.966 718 2HB ASP 91 1HB ASP 91 -3.578 11.475 7.238 719 HA PRO 92 HA PRO 92 -1.274 9.123 3.523 720 1HB PRO 92 2HB PRO 92 1.368 8.094 4.409 721 2HB PRO 92 1HB PRO 92 0.830 8.576 2.796 722 1HG PRO 92 2HG PRO 92 2.480 10.125 4.203 723 2HG PRO 92 1HG PRO 92 1.197 10.829 3.201 724 1HD PRO 92 2HD PRO 92 1.307 10.470 6.167 725 2HD PRO 92 1HD PRO 92 0.649 11.816 5.217 726 H LEU 93 H LEU 93 0.167 8.097 6.611 727 HA LEU 93 HA LEU 93 -0.540 5.380 6.407 728 1HB LEU 93 2HB LEU 93 0.335 7.200 8.579 729 2HB LEU 93 1HB LEU 93 -0.459 5.715 9.067 730 HG LEU 93 HG LEU 93 1.336 4.721 7.311 731 1HD1 LEU 93 1HD1 LEU 93 2.484 6.676 6.743 732 2HD1 LEU 93 2HD1 LEU 93 3.508 5.900 7.951 733 3HD1 LEU 93 3HD1 LEU 93 2.487 7.265 8.407 734 1HD2 LEU 93 1HD2 LEU 93 0.975 3.924 9.574 735 2HD2 LEU 93 2HD2 LEU 93 1.813 5.332 10.225 736 3HD2 LEU 93 3HD2 LEU 93 2.698 4.142 9.270 737 H GLY 94 H GLY 94 -2.255 8.183 7.672 738 1HA GLY 94 2HA GLY 94 -4.389 6.702 8.851 739 2HA GLY 94 1HA GLY 94 -4.392 8.422 8.496 740 H LEU 95 H LEU 95 -3.938 8.251 5.706 741 HA LEU 95 HA LEU 95 -6.565 7.971 4.769 742 1HB LEU 95 2HB LEU 95 -3.980 8.674 3.686 743 2HB LEU 95 1HB LEU 95 -4.873 7.683 2.548 744 HG LEU 95 HG LEU 95 -6.433 9.877 3.738 745 1HD1 LEU 95 1HD1 LEU 95 -4.056 10.780 3.400 746 2HD1 LEU 95 2HD1 LEU 95 -5.394 11.667 2.671 747 3HD1 LEU 95 3HD1 LEU 95 -4.389 10.615 1.677 748 1HD2 LEU 95 1HD2 LEU 95 -7.219 8.384 1.924 749 2HD2 LEU 95 2HD2 LEU 95 -5.956 9.037 0.882 750 3HD2 LEU 95 3HD2 LEU 95 -7.238 10.090 1.479 751 H ILE 96 H ILE 96 -3.781 5.790 4.557 752 HA ILE 96 HA ILE 96 -5.075 3.823 2.977 753 HB ILE 96 HB ILE 96 -2.765 3.414 4.880 754 1HG1 ILE 96 2HG1 ILE 96 -2.602 4.003 1.923 755 2HG1 ILE 96 1HG1 ILE 96 -2.494 5.264 3.147 756 1HG2 ILE 96 1HG2 ILE 96 -2.510 1.351 4.031 757 2HG2 ILE 96 2HG2 ILE 96 -2.923 1.863 2.397 758 3HG2 ILE 96 3HG2 ILE 96 -4.201 1.519 3.561 759 1HD1 ILE 96 1HD1 ILE 96 -0.527 3.248 2.325 760 2HD1 ILE 96 2HD1 ILE 96 -0.639 3.539 4.061 761 3HD1 ILE 96 3HD1 ILE 96 -0.296 4.875 2.964 762 H ALA 97 H ALA 97 -4.661 4.240 6.465 763 HA ALA 97 HA ALA 97 -5.711 1.781 7.293 764 1HB ALA 97 1HB ALA 97 -5.332 4.441 8.561 765 2HB ALA 97 2HB ALA 97 -4.699 2.863 9.028 766 3HB ALA 97 3HB ALA 97 -6.379 3.277 9.372 767 H TYR 98 H TYR 98 -7.320 4.895 6.722 768 HA TYR 98 HA TYR 98 -9.904 4.025 7.480 769 1HB TYR 98 2HB TYR 98 -8.985 6.435 7.160 770 2HB TYR 98 1HB TYR 98 -9.434 6.210 5.473 771 HD1 TYR 98 1HD TYR 98 -11.186 5.076 8.561 772 HD2 TYR 98 2HD TYR 98 -11.266 7.610 5.144 773 HE1 TYR 98 1HE TYR 98 -13.498 5.717 9.097 774 HE2 TYR 98 2HE TYR 98 -13.578 8.259 5.671 775 HH TYR 98 HH TYR 98 -15.057 7.524 8.659 776 H LEU 99 H LEU 99 -8.234 4.188 4.367 777 HA LEU 99 HA LEU 99 -10.395 3.466 2.733 778 1HB LEU 99 2HB LEU 99 -7.458 3.542 2.489 779 2HB LEU 99 1HB LEU 99 -8.263 2.418 1.409 780 HG LEU 99 HG LEU 99 -7.879 4.607 0.359 781 1HD1 LEU 99 1HD1 LEU 99 -9.756 3.232 -0.371 782 2HD1 LEU 99 2HD1 LEU 99 -10.144 4.949 -0.482 783 3HD1 LEU 99 3HD1 LEU 99 -10.789 3.983 0.846 784 1HD2 LEU 99 1HD2 LEU 99 -9.261 5.531 2.803 785 2HD2 LEU 99 2HD2 LEU 99 -9.668 6.360 1.301 786 3HD2 LEU 99 3HD2 LEU 99 -7.993 6.305 1.851 787 H SER 100 H SER 100 -8.171 1.548 4.645 788 HA SER 100 HA SER 100 -8.688 -0.973 3.544 789 1HB SER 100 2HB SER 100 -7.611 -1.875 5.426 790 2HB SER 100 1HB SER 100 -6.902 -0.268 5.277 791 HG SER 100 HG SER 100 -7.982 -1.219 7.397 792 H HIS 101 H HIS 101 -10.405 0.899 5.976 793 HA HIS 101 HA HIS 101 -12.188 -1.199 6.728 794 1HB HIS 101 2HB HIS 101 -11.774 1.612 7.406 795 2HB HIS 101 1HB HIS 101 -13.479 1.174 7.351 796 HD1 HIS 101 1HD HIS 101 -13.285 -1.684 8.511 797 HD2 HIS 101 2HD HIS 101 -11.353 1.635 10.100 798 HE1 HIS 101 1HE HIS 101 -12.857 -2.246 10.924 799 HE2 HIS 101 2HE HIS 101 -11.758 -0.193 11.885 800 H PHE 102 H PHE 102 -12.491 1.646 4.617 801 HA PHE 102 HA PHE 102 -15.155 1.192 3.844 802 1HB PHE 102 2HB PHE 102 -12.948 2.918 3.004 803 2HB PHE 102 1HB PHE 102 -14.004 2.460 1.673 804 HD1 PHE 102 1HD PHE 102 -13.442 4.918 3.990 805 HD2 PHE 102 2HD PHE 102 -16.621 2.547 2.447 806 HE1 PHE 102 1HE PHE 102 -15.058 6.637 4.686 807 HE2 PHE 102 2HE PHE 102 -18.242 4.263 3.137 808 HZ PHE 102 HZ PHE 102 -17.462 6.312 4.259 809 H HIS 103 H HIS 103 -12.116 -0.079 2.671 810 HA HIS 103 HA HIS 103 -12.978 -1.129 0.219 811 1HB HIS 103 2HB HIS 103 -10.586 -0.969 1.377 812 2HB HIS 103 1HB HIS 103 -10.959 -2.632 1.817 813 HD1 HIS 103 1HD HIS 103 -10.950 -4.381 -0.055 814 HD2 HIS 103 2HD HIS 103 -10.186 -0.518 -1.378 815 HE1 HIS 103 1HE HIS 103 -10.134 -4.630 -2.421 816 HE2 HIS 103 2HE HIS 103 -9.580 -2.287 -3.165 817 H SER 104 H SER 104 -12.766 -2.679 3.418 818 HA SER 104 HA SER 104 -13.858 -5.152 2.588 819 1HB SER 104 2HB SER 104 -13.194 -3.855 5.164 820 2HB SER 104 1HB SER 104 -14.433 -5.108 5.236 821 HG SER 104 HG SER 104 -13.001 -6.587 4.536 822 H ALA 105 H ALA 105 -15.289 -2.179 3.787 823 HA ALA 105 HA ALA 105 -17.880 -3.191 4.281 824 1HB ALA 105 1HB ALA 105 -18.593 -0.863 4.289 825 2HB ALA 105 2HB ALA 105 -17.062 -0.378 3.564 826 3HB ALA 105 3HB ALA 105 -17.090 -1.059 5.190 827 H PHE 106 H PHE 106 -16.428 -1.641 1.439 828 HA PHE 106 HA PHE 106 -18.779 -1.620 -0.128 829 1HB PHE 106 2HB PHE 106 -15.852 -1.350 -0.706 830 2HB PHE 106 1HB PHE 106 -16.980 -1.544 -2.043 831 HD1 PHE 106 1HD PHE 106 -17.639 0.280 1.108 832 HD2 PHE 106 2HD PHE 106 -16.780 0.566 -3.048 833 HE1 PHE 106 1HE PHE 106 -18.132 2.689 1.175 834 HE2 PHE 106 2HE PHE 106 -17.271 2.976 -2.989 835 HZ PHE 106 HZ PHE 106 -17.949 4.040 -0.874 836 H LYS 107 H LYS 107 -16.282 -4.017 0.415 837 HA LYS 107 HA LYS 107 -16.906 -5.728 -1.737 838 1HB LYS 107 2HB LYS 107 -14.838 -5.753 -0.225 839 2HB LYS 107 1HB LYS 107 -15.826 -6.651 0.919 840 1HG LYS 107 2HG LYS 107 -16.161 -8.415 -0.712 841 2HG LYS 107 1HG LYS 107 -15.240 -7.501 -1.910 842 1HD LYS 107 2HD LYS 107 -13.838 -9.213 -0.925 843 2HD LYS 107 1HD LYS 107 -13.264 -7.617 -0.438 844 1HE LYS 107 2HE LYS 107 -13.890 -7.904 1.740 845 2HE LYS 107 1HE LYS 107 -15.220 -8.986 1.328 846 1HZ LYS 107 1HZ LYS 107 -13.601 -10.726 0.859 847 2HZ LYS 107 2HZ LYS 107 -13.449 -10.172 2.450 848 3HZ LYS 107 3HZ LYS 107 -12.334 -9.686 1.275 849 H SER 108 H SER 108 -18.284 -5.322 1.448 850 HA SER 108 HA SER 108 -20.083 -7.597 0.965 851 1HB SER 108 2HB SER 108 -20.598 -7.430 3.402 852 2HB SER 108 1HB SER 108 -18.898 -7.764 3.074 853 HG SER 108 HG SER 108 -19.020 -6.144 4.606 854 H MET 109 H MET 109 -20.364 -4.993 -0.314 855 HA MET 109 HA MET 109 -23.128 -4.629 -0.020 856 1HB MET 109 2HB MET 109 -21.923 -3.485 2.096 857 2HB MET 109 1HB MET 109 -21.825 -2.150 0.956 858 1HG MET 109 2HG MET 109 -24.255 -2.272 0.630 859 2HG MET 109 1HG MET 109 -24.333 -3.573 1.816 860 1HE MET 109 1HE MET 109 -26.174 -2.241 2.664 861 2HE MET 109 2HE MET 109 -26.063 -0.501 2.406 862 3HE MET 109 3HE MET 109 -25.968 -1.157 4.039 Start of MODEL 11 1 1H MET -8 1HT MET -8 9.556 6.912 -7.804 2 2H MET -8 2HT MET -8 11.253 6.662 -7.902 3 3H MET -8 3HT MET -8 10.631 8.032 -7.073 4 HA MET -8 HA MET -8 9.631 6.635 -5.444 5 1HB MET -8 2HB MET -8 10.619 4.552 -7.346 6 2HB MET -8 1HB MET -8 10.561 4.160 -5.632 7 1HG MET -8 2HG MET -8 8.132 4.984 -5.740 8 2HG MET -8 1HG MET -8 8.311 4.826 -7.485 9 1HE MET -8 1HE MET -8 6.074 2.295 -5.718 10 2HE MET -8 2HE MET -8 6.744 3.726 -4.933 11 3HE MET -8 3HE MET -8 7.210 2.117 -4.380 12 H GLY -7 H GLY -7 10.871 5.694 -3.628 13 1HA GLY -7 2HA GLY -7 13.771 5.879 -3.823 14 2HA GLY -7 1HA GLY -7 12.995 7.069 -2.788 15 H HIS -6 H HIS -6 14.738 4.460 -2.522 16 HA HIS -6 HA HIS -6 13.125 3.251 -0.376 17 1HB HIS -6 2HB HIS -6 14.494 1.240 -0.652 18 2HB HIS -6 1HB HIS -6 13.726 1.687 -2.172 19 HD1 HIS -6 1HD HIS -6 17.043 1.312 -0.543 20 HD2 HIS -6 2HD HIS -6 15.498 2.620 -4.171 21 HE1 HIS -6 1HE HIS -6 19.015 1.468 -2.096 22 HE2 HIS -6 2HE HIS -6 18.071 2.367 -4.251 23 H HIS -5 H HIS -5 14.235 2.606 1.570 24 HA HIS -5 HA HIS -5 16.790 3.963 2.055 25 1HB HIS -5 2HB HIS -5 14.438 5.051 2.929 26 2HB HIS -5 1HB HIS -5 14.907 4.073 4.316 27 HD1 HIS -5 1HD HIS -5 17.761 4.495 4.717 28 HD2 HIS -5 2HD HIS -5 15.336 7.558 3.304 29 HE1 HIS -5 1HE HIS -5 18.996 6.622 5.236 30 HE2 HIS -5 2HE HIS -5 17.466 8.465 4.456 31 H HIS -4 H HIS -4 14.350 1.742 3.371 32 HA HIS -4 HA HIS -4 16.342 0.415 5.010 33 1HB HIS -4 2HB HIS -4 13.722 0.845 5.428 34 2HB HIS -4 1HB HIS -4 13.631 -0.752 4.694 35 HD1 HIS -4 1HD HIS -4 14.686 -2.726 6.019 36 HD2 HIS -4 2HD HIS -4 14.790 0.926 7.999 37 HE1 HIS -4 1HE HIS -4 15.266 -3.271 8.404 38 HE2 HIS -4 2HE HIS -4 15.416 -1.038 9.560 39 H HIS -3 H HIS -3 14.609 -0.100 2.019 40 HA HIS -3 HA HIS -3 14.815 -1.652 0.369 41 1HB HIS -3 2HB HIS -3 17.235 -1.004 0.624 42 2HB HIS -3 1HB HIS -3 17.433 -2.394 1.685 43 HD1 HIS -3 1HD HIS -3 17.857 -4.608 0.590 44 HD2 HIS -3 2HD HIS -3 16.568 -1.721 -2.106 45 HE1 HIS -3 1HE HIS -3 18.106 -5.654 -1.682 46 HE2 HIS -3 2HE HIS -3 17.250 -3.914 -3.294 47 H HIS -2 H HIS -2 14.927 -4.021 -0.071 48 HA HIS -2 HA HIS -2 14.224 -6.142 0.351 49 1HB HIS -2 2HB HIS -2 16.296 -6.033 1.829 50 2HB HIS -2 1HB HIS -2 15.202 -5.747 3.178 51 HD1 HIS -2 1HD HIS -2 15.777 -8.365 0.481 52 HD2 HIS -2 2HD HIS -2 14.292 -8.020 4.347 53 HE1 HIS -2 1HE HIS -2 15.274 -10.715 1.220 54 HE2 HIS -2 2HE HIS -2 14.286 -10.472 3.525 55 H HIS -1 H HIS -1 12.405 -3.930 0.766 56 HA HIS -1 HA HIS -1 10.664 -5.030 2.870 57 1HB HIS -1 2HB HIS -1 11.480 -2.517 2.798 58 2HB HIS -1 1HB HIS -1 10.166 -2.350 1.638 59 HD1 HIS -1 1HD HIS -1 10.870 -2.577 5.235 60 HD2 HIS -1 2HD HIS -1 7.565 -2.930 2.743 61 HE1 HIS -1 1HE HIS -1 8.869 -2.408 6.748 62 HE2 HIS -1 2HE HIS -1 6.881 -2.719 5.229 63 H MET 0 H MET 0 8.376 -5.137 2.435 64 HA MET 0 HA MET 0 7.347 -4.782 -0.198 65 1HB MET 0 2HB MET 0 8.780 -6.987 -0.179 66 2HB MET 0 1HB MET 0 7.366 -7.658 0.621 67 1HG MET 0 2HG MET 0 6.005 -7.333 -1.233 68 2HG MET 0 1HG MET 0 7.108 -6.162 -1.955 69 1HE MET 0 1HE MET 0 9.096 -6.814 -3.580 70 2HE MET 0 2HE MET 0 7.456 -6.950 -4.215 71 3HE MET 0 3HE MET 0 8.649 -8.197 -4.578 72 H GLY 1 H GLY 1 5.075 -5.375 -0.362 73 1HA GLY 1 2HA GLY 1 3.030 -6.111 0.623 74 2HA GLY 1 1HA GLY 1 3.778 -5.970 2.206 75 H SER 2 H SER 2 4.898 -3.293 1.431 76 HA SER 2 HA SER 2 2.478 -1.772 2.057 77 1HB SER 2 2HB SER 2 5.378 -1.415 2.568 78 2HB SER 2 1HB SER 2 4.444 0.055 2.295 79 HG SER 2 HG SER 2 4.627 -0.887 4.539 80 H ALA 3 H ALA 3 4.999 -2.058 -0.359 81 HA ALA 3 HA ALA 3 4.056 0.260 -1.830 82 1HB ALA 3 1HB ALA 3 6.293 0.187 -2.166 83 2HB ALA 3 2HB ALA 3 5.819 -0.850 -3.511 84 3HB ALA 3 3HB ALA 3 6.373 -1.567 -1.998 85 H GLY 4 H GLY 4 3.743 -3.216 -1.910 86 1HA GLY 4 2HA GLY 4 2.667 -3.323 -4.574 87 2HA GLY 4 1HA GLY 4 2.681 -4.631 -3.400 88 H THR 5 H THR 5 1.352 -2.903 -1.373 89 HA THR 5 HA THR 5 -1.351 -3.513 -2.145 90 HB THR 5 HB THR 5 -1.778 -2.333 0.156 91 HG1 THR 5 1HG THR 5 0.450 -1.503 0.136 92 1HG2 THR 5 1HG2 THR 5 -1.129 -4.973 -0.540 93 2HG2 THR 5 2HG2 THR 5 -1.989 -4.402 0.889 94 3HG2 THR 5 3HG2 THR 5 -0.237 -4.599 0.935 95 H GLN 6 H GLN 6 0.655 -0.666 -1.925 96 HA GLN 6 HA GLN 6 -1.320 1.314 -1.925 97 1HB GLN 6 2HB GLN 6 1.547 1.178 -2.700 98 2HB GLN 6 1HB GLN 6 0.622 2.551 -3.293 99 1HG GLN 6 2HG GLN 6 0.365 1.904 -0.420 100 2HG GLN 6 1HG GLN 6 1.909 2.560 -0.963 101 1HE2 GLN 6 1HE2 GLN 6 -1.578 3.138 -1.157 102 2HE2 GLN 6 2HE2 GLN 6 -1.470 4.862 -1.150 103 H GLU 7 H GLU 7 0.275 -0.348 -4.621 104 HA GLU 7 HA GLU 7 -0.969 1.110 -6.687 105 1HB GLU 7 2HB GLU 7 1.057 -0.499 -6.779 106 2HB GLU 7 1HB GLU 7 -0.147 -1.767 -6.964 107 1HG GLU 7 2HG GLU 7 -0.952 -0.809 -8.993 108 2HG GLU 7 1HG GLU 7 0.040 0.631 -8.767 109 H GLU 8 H GLU 8 -1.811 -1.985 -5.158 110 HA GLU 8 HA GLU 8 -4.074 -2.520 -6.744 111 1HB GLU 8 2HB GLU 8 -3.676 -3.382 -3.878 112 2HB GLU 8 1HB GLU 8 -4.648 -4.179 -5.107 113 1HG GLU 8 2HG GLU 8 -2.093 -4.053 -6.195 114 2HG GLU 8 1HG GLU 8 -1.847 -4.466 -4.499 115 H LEU 9 H LEU 9 -3.685 -0.777 -3.695 116 HA LEU 9 HA LEU 9 -6.441 -0.386 -3.193 117 1HB LEU 9 2HB LEU 9 -3.975 1.081 -2.278 118 2HB LEU 9 1HB LEU 9 -5.586 1.529 -1.749 119 HG LEU 9 HG LEU 9 -4.506 -1.251 -1.359 120 1HD1 LEU 9 1HD1 LEU 9 -4.507 0.616 0.922 121 2HD1 LEU 9 2HD1 LEU 9 -3.246 0.865 -0.285 122 3HD1 LEU 9 3HD1 LEU 9 -3.396 -0.695 0.523 123 1HD2 LEU 9 1HD2 LEU 9 -7.022 -0.388 -1.137 124 2HD2 LEU 9 2HD2 LEU 9 -6.439 0.048 0.468 125 3HD2 LEU 9 3HD2 LEU 9 -6.342 -1.625 -0.080 126 H LEU 10 H LEU 10 -4.026 1.492 -4.948 127 HA LEU 10 HA LEU 10 -5.578 3.803 -5.364 128 1HB LEU 10 2HB LEU 10 -3.102 2.652 -6.452 129 2HB LEU 10 1HB LEU 10 -3.960 3.703 -7.564 130 HG LEU 10 HG LEU 10 -3.131 4.510 -4.777 131 1HD1 LEU 10 1HD1 LEU 10 -1.727 4.625 -7.389 132 2HD1 LEU 10 2HD1 LEU 10 -1.082 4.398 -5.764 133 3HD1 LEU 10 3HD1 LEU 10 -1.573 6.004 -6.301 134 1HD2 LEU 10 1HD2 LEU 10 -3.519 6.807 -5.820 135 2HD2 LEU 10 2HD2 LEU 10 -4.943 5.853 -5.409 136 3HD2 LEU 10 3HD2 LEU 10 -4.400 5.950 -7.084 137 H ARG 11 H ARG 11 -5.133 0.888 -7.338 138 HA ARG 11 HA ARG 11 -6.670 1.684 -9.535 139 1HB ARG 11 2HB ARG 11 -6.263 -1.105 -8.444 140 2HB ARG 11 1HB ARG 11 -6.841 -0.713 -10.058 141 1HG ARG 11 2HG ARG 11 -4.286 0.532 -9.330 142 2HG ARG 11 1HG ARG 11 -4.260 -1.230 -9.427 143 1HD ARG 11 2HD ARG 11 -4.085 -1.048 -11.633 144 2HD ARG 11 1HD ARG 11 -5.712 -0.370 -11.662 145 HE ARG 11 HE ARG 11 -4.771 1.621 -12.222 146 1HH1 ARG 11 1HH1 ARG 11 -2.385 -0.239 -10.479 147 2HH1 ARG 11 2HH1 ARG 11 -1.143 0.953 -10.661 148 1HH2 ARG 11 1HH2 ARG 11 -3.136 3.189 -12.461 149 2HH2 ARG 11 2HH2 ARG 11 -1.568 2.900 -11.784 150 H TRP 12 H TRP 12 -7.599 -0.032 -6.578 151 HA TRP 12 HA TRP 12 -10.311 -0.415 -7.305 152 1HB TRP 12 2HB TRP 12 -9.000 -1.635 -5.489 153 2HB TRP 12 1HB TRP 12 -9.272 -0.217 -4.480 154 HD1 TRP 12 HD TRP 12 -11.131 -3.167 -6.061 155 HE1 TRP 12 1HE TRP 12 -13.415 -3.413 -4.900 156 HE3 TRP 12 3HE TRP 12 -11.060 1.079 -3.213 157 HZ2 TRP 12 2HZ TRP 12 -14.980 -1.996 -3.027 158 HZ3 TRP 12 3HZ TRP 12 -12.990 1.560 -1.764 159 HH2 TRP 12 HH TRP 12 -14.909 0.053 -1.674 160 H CYS 13 H CYS 13 -8.603 2.155 -5.614 161 HA CYS 13 HA CYS 13 -10.894 3.542 -4.704 162 1HB CYS 13 2HB CYS 13 -8.435 3.791 -3.962 163 2HB CYS 13 1HB CYS 13 -8.274 4.875 -5.339 164 HG CYS 13 HG CYS 13 -10.061 5.452 -2.864 165 H GLN 14 H GLN 14 -8.856 3.936 -7.591 166 HA GLN 14 HA GLN 14 -10.234 6.183 -8.603 167 1HB GLN 14 2HB GLN 14 -9.103 5.684 -10.729 168 2HB GLN 14 1HB GLN 14 -7.995 5.627 -9.365 169 1HG GLN 14 2HG GLN 14 -7.691 3.370 -9.525 170 2HG GLN 14 1HG GLN 14 -9.267 3.097 -10.263 171 1HE2 GLN 14 1HE2 GLN 14 -9.242 2.602 -12.328 172 2HE2 GLN 14 2HE2 GLN 14 -8.000 3.004 -13.460 173 H GLU 15 H GLU 15 -10.737 2.723 -8.973 174 HA GLU 15 HA GLU 15 -12.603 2.868 -11.094 175 1HB GLU 15 2HB GLU 15 -11.318 0.823 -10.072 176 2HB GLU 15 1HB GLU 15 -12.719 0.710 -9.018 177 1HG GLU 15 2HG GLU 15 -13.599 -0.563 -10.614 178 2HG GLU 15 1HG GLU 15 -13.871 0.947 -11.484 179 H GLN 16 H GLN 16 -12.993 2.730 -7.574 180 HA GLN 16 HA GLN 16 -15.815 2.729 -7.575 181 1HB GLN 16 2HB GLN 16 -13.829 3.593 -5.471 182 2HB GLN 16 1HB GLN 16 -15.561 3.486 -5.191 183 1HG GLN 16 2HG GLN 16 -13.832 1.181 -6.055 184 2HG GLN 16 1HG GLN 16 -14.285 1.524 -4.387 185 1HE2 GLN 16 1HE2 GLN 16 -16.861 2.141 -4.475 186 2HE2 GLN 16 2HE2 GLN 16 -17.804 0.842 -5.114 187 H THR 17 H THR 17 -13.439 5.290 -7.738 188 HA THR 17 HA THR 17 -15.471 7.346 -7.397 189 HB THR 17 HB THR 17 -12.515 7.649 -7.948 190 HG1 THR 17 1HG THR 17 -12.239 7.254 -5.923 191 1HG2 THR 17 1HG2 THR 17 -13.334 9.818 -6.495 192 2HG2 THR 17 2HG2 THR 17 -14.669 9.572 -7.619 193 3HG2 THR 17 3HG2 THR 17 -13.031 9.792 -8.232 194 H ALA 18 H ALA 18 -14.797 5.435 -9.879 195 HA ALA 18 HA ALA 18 -14.501 7.420 -11.965 196 1HB ALA 18 1HB ALA 18 -13.376 5.454 -12.484 197 2HB ALA 18 2HB ALA 18 -14.855 5.333 -13.437 198 3HB ALA 18 3HB ALA 18 -14.702 4.432 -11.929 199 H GLY 19 H GLY 19 -16.120 8.429 -12.961 200 1HA GLY 19 2HA GLY 19 -18.356 7.709 -14.100 201 2HA GLY 19 1HA GLY 19 -18.858 7.519 -12.428 202 H TYR 20 H TYR 20 -16.934 9.928 -11.926 203 HA TYR 20 HA TYR 20 -19.017 11.929 -12.351 204 1HB TYR 20 2HB TYR 20 -16.464 12.245 -10.769 205 2HB TYR 20 1HB TYR 20 -17.919 13.235 -10.673 206 HD1 TYR 20 1HD TYR 20 -19.658 12.671 -9.183 207 HD2 TYR 20 2HD TYR 20 -16.589 9.840 -9.987 208 HE1 TYR 20 1HE TYR 20 -20.514 11.240 -7.379 209 HE2 TYR 20 2HE TYR 20 -17.436 8.401 -8.184 210 HH TYR 20 HH TYR 20 -19.788 9.472 -5.929 211 HA PRO 21 HA PRO 21 -16.666 13.463 -15.843 212 1HB PRO 21 2HB PRO 21 -18.255 15.595 -16.396 213 2HB PRO 21 1HB PRO 21 -18.681 13.936 -16.836 214 1HG PRO 21 2HG PRO 21 -19.593 15.569 -14.498 215 2HG PRO 21 1HG PRO 21 -20.542 14.514 -15.564 216 1HD PRO 21 2HD PRO 21 -19.712 13.729 -13.114 217 2HD PRO 21 1HD PRO 21 -19.872 12.597 -14.471 218 H GLY 22 H GLY 22 -15.242 13.993 -13.701 219 1HA GLY 22 2HA GLY 22 -13.783 16.192 -14.081 220 2HA GLY 22 1HA GLY 22 -15.144 16.857 -13.193 221 H VAL 23 H VAL 23 -13.672 13.682 -12.699 222 HA VAL 23 HA VAL 23 -12.462 14.630 -10.209 223 HB VAL 23 HB VAL 23 -14.217 12.175 -10.298 224 1HG1 VAL 23 1HG1 VAL 23 -12.527 11.924 -8.649 225 2HG1 VAL 23 2HG1 VAL 23 -14.002 12.386 -7.799 226 3HG1 VAL 23 3HG1 VAL 23 -12.738 13.582 -8.086 227 1HG2 VAL 23 1HG2 VAL 23 -15.620 14.122 -10.535 228 2HG2 VAL 23 2HG2 VAL 23 -14.796 14.922 -9.197 229 3HG2 VAL 23 3HG2 VAL 23 -15.780 13.489 -8.896 230 H HIS 24 H HIS 24 -10.426 13.972 -10.133 231 HA HIS 24 HA HIS 24 -9.706 11.451 -11.481 232 1HB HIS 24 2HB HIS 24 -7.413 12.482 -11.715 233 2HB HIS 24 1HB HIS 24 -8.674 13.246 -12.677 234 HD1 HIS 24 1HD HIS 24 -6.035 14.011 -10.337 235 HD2 HIS 24 2HD HIS 24 -9.683 15.708 -11.372 236 HE1 HIS 24 1HE HIS 24 -5.941 16.374 -9.485 237 HE2 HIS 24 2HE HIS 24 -8.192 17.358 -10.050 238 H VAL 25 H VAL 25 -9.130 9.891 -10.128 239 HA VAL 25 HA VAL 25 -8.156 10.630 -7.455 240 HB VAL 25 HB VAL 25 -9.170 7.923 -8.314 241 1HG1 VAL 25 1HG1 VAL 25 -8.080 7.509 -6.358 242 2HG1 VAL 25 2HG1 VAL 25 -9.639 8.012 -5.705 243 3HG1 VAL 25 3HG1 VAL 25 -8.295 9.154 -5.759 244 1HG2 VAL 25 1HG2 VAL 25 -11.171 8.850 -6.805 245 2HG2 VAL 25 2HG2 VAL 25 -11.132 9.040 -8.557 246 3HG2 VAL 25 3HG2 VAL 25 -10.630 10.372 -7.514 247 H SER 26 H SER 26 -6.351 10.728 -9.655 248 HA SER 26 HA SER 26 -4.723 8.320 -9.355 249 1HB SER 26 2HB SER 26 -5.141 9.203 -11.639 250 2HB SER 26 1HB SER 26 -4.307 10.690 -11.191 251 HG SER 26 HG SER 26 -3.174 8.087 -11.185 252 H ASP 27 H ASP 27 -5.092 10.553 -7.332 253 HA ASP 27 HA ASP 27 -2.239 10.885 -6.760 254 1HB ASP 27 2HB ASP 27 -4.205 13.143 -6.368 255 2HB ASP 27 1HB ASP 27 -2.451 13.201 -6.217 256 H LEU 28 H LEU 28 -1.705 10.654 -4.636 257 HA LEU 28 HA LEU 28 -3.862 9.832 -2.853 258 1HB LEU 28 2HB LEU 28 -0.957 9.317 -3.045 259 2HB LEU 28 1HB LEU 28 -1.620 9.378 -1.422 260 HG LEU 28 HG LEU 28 -3.062 7.687 -3.386 261 1HD1 LEU 28 1HD1 LEU 28 -0.429 6.862 -2.174 262 2HD1 LEU 28 2HD1 LEU 28 -0.719 7.181 -3.884 263 3HD1 LEU 28 3HD1 LEU 28 -1.525 5.828 -3.088 264 1HD2 LEU 28 1HD2 LEU 28 -4.009 7.626 -1.276 265 2HD2 LEU 28 2HD2 LEU 28 -2.447 7.682 -0.460 266 3HD2 LEU 28 3HD2 LEU 28 -2.970 6.202 -1.263 267 H SER 29 H SER 29 -3.647 12.616 -3.414 268 HA SER 29 HA SER 29 -3.615 13.616 -0.738 269 1HB SER 29 2HB SER 29 -1.291 14.110 -2.525 270 2HB SER 29 1HB SER 29 -1.888 15.483 -1.593 271 HG SER 29 HG SER 29 -1.756 13.980 0.264 272 H SER 30 H SER 30 -2.863 15.274 -3.787 273 HA SER 30 HA SER 30 -4.677 17.349 -3.439 274 1HB SER 30 2HB SER 30 -3.635 16.211 -6.042 275 2HB SER 30 1HB SER 30 -4.374 17.799 -5.841 276 HG SER 30 HG SER 30 -2.277 18.242 -5.643 277 H SER 31 H SER 31 -5.194 14.125 -4.633 278 HA SER 31 HA SER 31 -7.645 14.608 -5.978 279 1HB SER 31 2HB SER 31 -7.752 12.325 -6.309 280 2HB SER 31 1HB SER 31 -6.026 12.519 -6.009 281 HG SER 31 HG SER 31 -7.130 10.810 -4.796 282 H TRP 32 H TRP 32 -6.797 14.038 -2.645 283 HA TRP 32 HA TRP 32 -9.618 13.787 -1.901 284 1HB TRP 32 2HB TRP 32 -7.254 13.620 -0.036 285 2HB TRP 32 1HB TRP 32 -8.884 13.004 0.218 286 HD1 TRP 32 HD TRP 32 -5.861 12.308 -2.113 287 HE1 TRP 32 1HE TRP 32 -5.832 9.786 -2.634 288 HE3 TRP 32 3HE TRP 32 -10.135 10.922 0.327 289 HZ2 TRP 32 2HZ TRP 32 -7.409 7.513 -2.083 290 HZ3 TRP 32 3HZ TRP 32 -10.804 8.554 0.281 291 HH2 TRP 32 HH TRP 32 -9.469 6.886 -0.899 292 H ALA 33 H ALA 33 -7.669 16.280 -2.543 293 HA ALA 33 HA ALA 33 -7.611 17.963 -0.360 294 1HB ALA 33 1HB ALA 33 -7.073 19.635 -1.816 295 2HB ALA 33 2HB ALA 33 -8.291 19.154 -2.995 296 3HB ALA 33 3HB ALA 33 -6.791 18.240 -2.855 297 H ASP 34 H ASP 34 -10.103 18.131 -2.916 298 HA ASP 34 HA ASP 34 -11.854 19.630 -1.195 299 1HB ASP 34 2HB ASP 34 -13.450 19.427 -3.148 300 2HB ASP 34 1HB ASP 34 -11.913 20.213 -3.503 301 H GLY 35 H GLY 35 -11.138 16.409 -1.311 302 1HA GLY 35 2HA GLY 35 -12.139 14.647 -0.206 303 2HA GLY 35 1HA GLY 35 -13.463 15.719 0.222 304 H LEU 36 H LEU 36 -12.397 15.167 -3.073 305 HA LEU 36 HA LEU 36 -15.036 14.446 -3.889 306 1HB LEU 36 2HB LEU 36 -12.482 15.052 -5.158 307 2HB LEU 36 1HB LEU 36 -13.354 13.775 -5.984 308 HG LEU 36 HG LEU 36 -13.776 16.068 -6.879 309 1HD1 LEU 36 1HD1 LEU 36 -15.449 13.976 -6.698 310 2HD1 LEU 36 2HD1 LEU 36 -15.858 15.484 -7.515 311 3HD1 LEU 36 3HD1 LEU 36 -16.403 15.201 -5.863 312 1HD2 LEU 36 1HD2 LEU 36 -14.073 16.724 -4.188 313 2HD2 LEU 36 2HD2 LEU 36 -15.699 16.818 -4.863 314 3HD2 LEU 36 3HD2 LEU 36 -14.393 17.760 -5.578 315 H ALA 37 H ALA 37 -12.006 12.674 -3.439 316 HA ALA 37 HA ALA 37 -12.849 10.208 -4.472 317 1HB ALA 37 1HB ALA 37 -10.500 10.780 -4.000 318 2HB ALA 37 2HB ALA 37 -10.977 9.243 -3.279 319 3HB ALA 37 3HB ALA 37 -10.841 10.686 -2.273 320 H LEU 38 H LEU 38 -12.916 11.458 -1.145 321 HA LEU 38 HA LEU 38 -14.016 9.149 0.034 322 1HB LEU 38 2HB LEU 38 -13.015 11.478 0.983 323 2HB LEU 38 1HB LEU 38 -14.731 11.756 1.218 324 HG LEU 38 HG LEU 38 -13.607 10.829 3.219 325 1HD1 LEU 38 1HD1 LEU 38 -15.671 9.033 1.952 326 2HD1 LEU 38 2HD1 LEU 38 -15.990 10.484 2.904 327 3HD1 LEU 38 3HD1 LEU 38 -15.257 9.072 3.666 328 1HD2 LEU 38 1HD2 LEU 38 -12.402 8.928 3.226 329 2HD2 LEU 38 2HD2 LEU 38 -12.227 9.261 1.503 330 3HD2 LEU 38 3HD2 LEU 38 -13.458 8.129 2.062 331 H CYS 39 H CYS 39 -15.535 12.113 -1.197 332 HA CYS 39 HA CYS 39 -18.183 11.337 -0.533 333 1HB CYS 39 2HB CYS 39 -16.891 13.605 -1.690 334 2HB CYS 39 1HB CYS 39 -18.222 13.133 -2.741 335 HG CYS 39 HG CYS 39 -18.620 13.889 0.253 336 H ALA 40 H ALA 40 -16.132 10.857 -3.329 337 HA ALA 40 HA ALA 40 -18.061 10.069 -5.199 338 1HB ALA 40 1HB ALA 40 -16.214 8.932 -6.354 339 2HB ALA 40 2HB ALA 40 -15.199 9.153 -4.928 340 3HB ALA 40 3HB ALA 40 -15.768 10.556 -5.831 341 H LEU 41 H LEU 41 -16.269 8.188 -2.786 342 HA LEU 41 HA LEU 41 -17.347 5.673 -3.554 343 1HB LEU 41 2HB LEU 41 -16.227 6.417 -0.856 344 2HB LEU 41 1HB LEU 41 -16.334 4.813 -1.558 345 HG LEU 41 HG LEU 41 -14.736 6.841 -3.030 346 1HD1 LEU 41 1HD1 LEU 41 -12.992 6.958 -1.595 347 2HD1 LEU 41 2HD1 LEU 41 -13.313 5.369 -0.898 348 3HD1 LEU 41 3HD1 LEU 41 -14.275 6.761 -0.401 349 1HD2 LEU 41 1HD2 LEU 41 -13.696 4.153 -2.497 350 2HD2 LEU 41 2HD2 LEU 41 -13.838 5.038 -4.017 351 3HD2 LEU 41 3HD2 LEU 41 -15.234 4.185 -3.359 352 H VAL 42 H VAL 42 -18.060 7.828 -0.801 353 HA VAL 42 HA VAL 42 -20.145 6.318 0.287 354 HB VAL 42 HB VAL 42 -19.920 9.328 0.355 355 1HG1 VAL 42 1HG1 VAL 42 -20.997 8.952 2.623 356 2HG1 VAL 42 2HG1 VAL 42 -21.349 7.316 2.071 357 3HG1 VAL 42 3HG1 VAL 42 -22.024 8.702 1.212 358 1HG2 VAL 42 1HG2 VAL 42 -17.982 7.568 1.175 359 2HG2 VAL 42 2HG2 VAL 42 -18.903 7.843 2.652 360 3HG2 VAL 42 3HG2 VAL 42 -18.202 9.208 1.783 361 H TYR 43 H TYR 43 -20.251 9.010 -2.026 362 HA TYR 43 HA TYR 43 -23.010 9.190 -2.326 363 1HB TYR 43 2HB TYR 43 -21.515 10.876 -3.224 364 2HB TYR 43 1HB TYR 43 -20.821 9.712 -4.344 365 HD1 TYR 43 1HD TYR 43 -21.855 9.257 -6.434 366 HD2 TYR 43 2HD TYR 43 -23.883 11.621 -3.534 367 HE1 TYR 43 1HE TYR 43 -23.525 9.890 -8.126 368 HE2 TYR 43 2HE TYR 43 -25.557 12.260 -5.216 369 HH TYR 43 HH TYR 43 -26.450 11.477 -7.317 370 H ARG 44 H ARG 44 -20.690 7.039 -3.878 371 HA ARG 44 HA ARG 44 -22.406 5.969 -5.831 372 1HB ARG 44 2HB ARG 44 -19.769 5.675 -5.234 373 2HB ARG 44 1HB ARG 44 -20.406 4.131 -4.680 374 1HG ARG 44 2HG ARG 44 -21.583 4.500 -7.162 375 2HG ARG 44 1HG ARG 44 -19.930 5.085 -7.369 376 1HD ARG 44 2HD ARG 44 -19.022 3.030 -7.060 377 2HD ARG 44 1HD ARG 44 -20.256 2.538 -5.903 378 HE ARG 44 HE ARG 44 -21.302 2.769 -8.546 379 1HH1 ARG 44 1HH1 ARG 44 -19.475 0.676 -6.433 380 2HH1 ARG 44 2HH1 ARG 44 -19.916 -0.770 -7.278 381 1HH2 ARG 44 1HH2 ARG 44 -21.884 0.869 -9.657 382 2HH2 ARG 44 2HH2 ARG 44 -21.284 -0.660 -9.109 383 H LEU 45 H LEU 45 -21.713 4.959 -2.505 384 HA LEU 45 HA LEU 45 -23.449 2.678 -2.634 385 1HB LEU 45 2HB LEU 45 -21.685 3.934 -0.654 386 2HB LEU 45 1HB LEU 45 -23.121 3.204 0.040 387 HG LEU 45 HG LEU 45 -22.383 1.153 -1.469 388 1HD1 LEU 45 1HD1 LEU 45 -19.646 1.763 -0.747 389 2HD1 LEU 45 2HD1 LEU 45 -20.282 2.891 -1.945 390 3HD1 LEU 45 3HD1 LEU 45 -20.308 1.158 -2.266 391 1HD2 LEU 45 1HD2 LEU 45 -21.587 0.141 0.458 392 2HD2 LEU 45 2HD2 LEU 45 -22.577 1.458 1.092 393 3HD2 LEU 45 3HD2 LEU 45 -20.822 1.621 1.039 394 H GLN 46 H GLN 46 -23.667 5.950 -1.311 395 HA GLN 46 HA GLN 46 -26.577 5.745 -1.369 396 1HB GLN 46 2HB GLN 46 -24.922 6.108 1.072 397 2HB GLN 46 1HB GLN 46 -26.371 7.095 0.934 398 1HG GLN 46 2HG GLN 46 -27.736 5.369 1.317 399 2HG GLN 46 1HG GLN 46 -26.788 4.268 0.316 400 1HE2 GLN 46 1HE2 GLN 46 -28.010 4.061 3.051 401 2HE2 GLN 46 2HE2 GLN 46 -26.720 3.515 4.061 402 HA PRO 47 HA PRO 47 -25.016 9.750 -3.033 403 1HB PRO 47 2HB PRO 47 -26.619 9.812 -5.204 404 2HB PRO 47 1HB PRO 47 -25.098 8.912 -5.179 405 1HG PRO 47 2HG PRO 47 -27.897 7.916 -4.813 406 2HG PRO 47 1HG PRO 47 -26.570 7.205 -5.750 407 1HD PRO 47 2HD PRO 47 -27.269 6.339 -3.264 408 2HD PRO 47 1HD PRO 47 -25.615 6.235 -3.898 409 H GLY 48 H GLY 48 -28.316 8.549 -2.704 410 1HA GLY 48 2HA GLY 48 -29.590 11.079 -2.725 411 2HA GLY 48 1HA GLY 48 -30.269 9.589 -2.086 412 H LEU 49 H LEU 49 -27.793 9.420 -0.296 413 HA LEU 49 HA LEU 49 -28.954 10.995 1.862 414 1HB LEU 49 2HB LEU 49 -26.891 8.806 1.786 415 2HB LEU 49 1HB LEU 49 -27.250 9.708 3.245 416 HG LEU 49 HG LEU 49 -28.423 7.558 3.191 417 1HD1 LEU 49 1HD1 LEU 49 -30.661 8.390 3.691 418 2HD1 LEU 49 2HD1 LEU 49 -30.265 9.930 2.928 419 3HD1 LEU 49 3HD1 LEU 49 -29.420 9.430 4.393 420 1HD2 LEU 49 1HD2 LEU 49 -28.633 7.677 0.617 421 2HD2 LEU 49 2HD2 LEU 49 -30.116 8.576 0.944 422 3HD2 LEU 49 3HD2 LEU 49 -29.933 6.930 1.548 423 H LEU 50 H LEU 50 -26.490 11.389 -0.396 424 HA LEU 50 HA LEU 50 -25.400 13.607 1.143 425 1HB LEU 50 2HB LEU 50 -23.652 11.429 -0.001 426 2HB LEU 50 1HB LEU 50 -23.073 12.937 0.682 427 HG LEU 50 HG LEU 50 -24.461 12.057 2.790 428 1HD1 LEU 50 1HD1 LEU 50 -24.148 9.736 1.031 429 2HD1 LEU 50 2HD1 LEU 50 -25.245 9.997 2.387 430 3HD1 LEU 50 3HD1 LEU 50 -23.584 9.484 2.682 431 1HD2 LEU 50 1HD2 LEU 50 -21.658 11.546 1.900 432 2HD2 LEU 50 2HD2 LEU 50 -22.227 10.867 3.425 433 3HD2 LEU 50 3HD2 LEU 50 -22.259 12.611 3.171 434 H GLU 51 H GLU 51 -25.006 15.332 -0.091 435 HA GLU 51 HA GLU 51 -25.154 15.001 -3.005 436 1HB GLU 51 2HB GLU 51 -25.677 17.376 -1.216 437 2HB GLU 51 1HB GLU 51 -25.599 17.495 -2.968 438 1HG GLU 51 2HG GLU 51 -27.431 15.480 -1.793 439 2HG GLU 51 1HG GLU 51 -27.881 17.182 -1.682 440 HA PRO 52 HA PRO 52 -20.638 15.757 -2.210 441 1HB PRO 52 2HB PRO 52 -19.940 14.603 -4.625 442 2HB PRO 52 1HB PRO 52 -20.033 13.745 -3.083 443 1HG PRO 52 2HG PRO 52 -22.049 13.906 -5.284 444 2HG PRO 52 1HG PRO 52 -21.567 12.508 -4.306 445 1HD PRO 52 2HD PRO 52 -23.840 13.816 -3.807 446 2HD PRO 52 1HD PRO 52 -22.836 13.195 -2.480 447 H SER 53 H SER 53 -22.526 16.207 -5.178 448 HA SER 53 HA SER 53 -20.833 17.912 -6.550 449 1HB SER 53 2HB SER 53 -23.143 16.882 -7.215 450 2HB SER 53 1HB SER 53 -23.793 18.393 -6.581 451 HG SER 53 HG SER 53 -22.307 19.465 -8.039 452 H GLU 54 H GLU 54 -23.057 18.630 -3.924 453 HA GLU 54 HA GLU 54 -22.844 21.463 -4.138 454 1HB GLU 54 2HB GLU 54 -24.555 19.843 -2.851 455 2HB GLU 54 1HB GLU 54 -23.489 20.247 -1.511 456 1HG GLU 54 2HG GLU 54 -23.916 22.593 -1.810 457 2HG GLU 54 1HG GLU 54 -24.861 22.272 -3.264 458 H LEU 55 H LEU 55 -21.369 19.098 -1.924 459 HA LEU 55 HA LEU 55 -19.707 21.095 -0.692 460 1HB LEU 55 2HB LEU 55 -19.651 18.088 -0.466 461 2HB LEU 55 1HB LEU 55 -18.741 19.196 0.542 462 HG LEU 55 HG LEU 55 -21.691 19.545 0.456 463 1HD1 LEU 55 1HD1 LEU 55 -20.328 17.106 1.389 464 2HD1 LEU 55 2HD1 LEU 55 -21.997 17.353 0.880 465 3HD1 LEU 55 3HD1 LEU 55 -21.494 17.815 2.506 466 1HD2 LEU 55 1HD2 LEU 55 -20.359 21.073 1.760 467 2HD2 LEU 55 2HD2 LEU 55 -19.580 19.731 2.601 468 3HD2 LEU 55 3HD2 LEU 55 -21.297 20.048 2.847 469 H GLN 56 H GLN 56 -19.480 19.367 -3.562 470 HA GLN 56 HA GLN 56 -16.772 18.689 -3.679 471 1HB GLN 56 2HB GLN 56 -18.426 17.918 -5.316 472 2HB GLN 56 1HB GLN 56 -18.601 19.559 -5.921 473 1HG GLN 56 2HG GLN 56 -15.905 19.140 -6.129 474 2HG GLN 56 1HG GLN 56 -16.573 17.550 -6.501 475 1HE2 GLN 56 1HE2 GLN 56 -18.644 17.804 -7.956 476 2HE2 GLN 56 2HE2 GLN 56 -18.404 18.779 -9.361 477 H GLY 57 H GLY 57 -18.393 21.755 -4.247 478 1HA GLY 57 2HA GLY 57 -15.729 22.966 -4.676 479 2HA GLY 57 1HA GLY 57 -17.187 23.557 -5.459 480 H LEU 58 H LEU 58 -18.670 23.064 -2.845 481 HA LEU 58 HA LEU 58 -18.643 25.659 -1.874 482 1HB LEU 58 2HB LEU 58 -19.831 23.123 -1.112 483 2HB LEU 58 1HB LEU 58 -19.439 24.102 0.288 484 HG LEU 58 HG LEU 58 -20.671 25.995 -0.965 485 1HD1 LEU 58 1HD1 LEU 58 -22.003 25.525 -2.735 486 2HD1 LEU 58 2HD1 LEU 58 -22.297 23.865 -2.214 487 3HD1 LEU 58 3HD1 LEU 58 -20.780 24.284 -3.008 488 1HD2 LEU 58 1HD2 LEU 58 -21.792 25.426 0.916 489 2HD2 LEU 58 2HD2 LEU 58 -21.743 23.701 0.555 490 3HD2 LEU 58 3HD2 LEU 58 -22.923 24.736 -0.248 491 H GLY 59 H GLY 59 -16.719 22.881 -0.904 492 1HA GLY 59 2HA GLY 59 -14.598 24.345 0.107 493 2HA GLY 59 1HA GLY 59 -15.672 24.064 1.469 494 H ALA 60 H ALA 60 -12.938 23.100 0.942 495 HA ALA 60 HA ALA 60 -13.127 20.290 0.388 496 1HB ALA 60 1HB ALA 60 -10.713 20.384 1.350 497 2HB ALA 60 2HB ALA 60 -10.940 22.131 1.262 498 3HB ALA 60 3HB ALA 60 -11.063 21.151 -0.199 499 H LEU 61 H LEU 61 -12.303 22.145 3.325 500 HA LEU 61 HA LEU 61 -12.245 19.977 5.082 501 1HB LEU 61 2HB LEU 61 -11.334 22.144 5.678 502 2HB LEU 61 1HB LEU 61 -12.929 22.868 5.607 503 HG LEU 61 HG LEU 61 -12.500 20.618 7.511 504 1HD1 LEU 61 1HD1 LEU 61 -11.725 22.245 9.218 505 2HD1 LEU 61 2HD1 LEU 61 -11.497 23.428 7.930 506 3HD1 LEU 61 3HD1 LEU 61 -10.547 21.941 7.940 507 1HD2 LEU 61 1HD2 LEU 61 -14.650 21.285 7.731 508 2HD2 LEU 61 2HD2 LEU 61 -14.319 22.917 7.145 509 3HD2 LEU 61 3HD2 LEU 61 -13.923 22.481 8.807 510 H GLU 62 H GLU 62 -14.921 22.119 4.181 511 HA GLU 62 HA GLU 62 -16.821 21.037 5.959 512 1HB GLU 62 2HB GLU 62 -16.918 23.218 4.588 513 2HB GLU 62 1HB GLU 62 -17.523 22.210 3.281 514 1HG GLU 62 2HG GLU 62 -19.559 22.154 4.152 515 2HG GLU 62 1HG GLU 62 -18.942 21.699 5.740 516 H ALA 63 H ALA 63 -15.960 20.227 2.627 517 HA ALA 63 HA ALA 63 -18.021 18.362 2.173 518 1HB ALA 63 1HB ALA 63 -15.274 18.349 0.934 519 2HB ALA 63 2HB ALA 63 -16.598 19.391 0.411 520 3HB ALA 63 3HB ALA 63 -16.748 17.639 0.274 521 H THR 64 H THR 64 -14.719 17.974 3.401 522 HA THR 64 HA THR 64 -14.794 15.154 3.580 523 HB THR 64 HB THR 64 -13.126 16.713 5.492 524 HG1 THR 64 1HG THR 64 -12.119 17.796 4.009 525 1HG2 THR 64 1HG2 THR 64 -11.764 14.958 3.649 526 2HG2 THR 64 2HG2 THR 64 -13.058 14.130 4.514 527 3HG2 THR 64 3HG2 THR 64 -11.785 14.954 5.412 528 H ALA 65 H ALA 65 -15.271 17.681 6.042 529 HA ALA 65 HA ALA 65 -15.815 15.959 8.186 530 1HB ALA 65 1HB ALA 65 -15.382 18.543 8.089 531 2HB ALA 65 2HB ALA 65 -16.339 17.840 9.392 532 3HB ALA 65 3HB ALA 65 -17.143 18.622 8.032 533 H TRP 66 H TRP 66 -17.991 17.494 5.841 534 HA TRP 66 HA TRP 66 -20.390 16.557 7.010 535 1HB TRP 66 2HB TRP 66 -19.999 18.420 5.226 536 2HB TRP 66 1HB TRP 66 -20.131 17.097 4.069 537 HD1 TRP 66 HD TRP 66 -22.214 19.056 6.622 538 HE1 TRP 66 1HE TRP 66 -24.707 18.641 6.135 539 HE3 TRP 66 3HE TRP 66 -21.751 15.443 3.034 540 HZ2 TRP 66 2HZ TRP 66 -26.270 17.000 4.452 541 HZ3 TRP 66 3HZ TRP 66 -23.795 14.502 2.036 542 HH2 TRP 66 HH TRP 66 -26.006 15.266 2.732 543 H ALA 67 H ALA 67 -18.304 15.282 4.456 544 HA ALA 67 HA ALA 67 -19.987 13.091 3.793 545 1HB ALA 67 1HB ALA 67 -17.027 13.077 3.347 546 2HB ALA 67 2HB ALA 67 -18.074 14.159 2.428 547 3HB ALA 67 3HB ALA 67 -18.312 12.413 2.337 548 H LEU 68 H LEU 68 -17.235 13.483 5.977 549 HA LEU 68 HA LEU 68 -16.930 10.759 6.632 550 1HB LEU 68 2HB LEU 68 -15.910 13.320 7.583 551 2HB LEU 68 1HB LEU 68 -16.103 12.151 8.875 552 HG LEU 68 HG LEU 68 -14.728 10.542 7.532 553 1HD1 LEU 68 1HD1 LEU 68 -15.006 11.403 5.325 554 2HD1 LEU 68 2HD1 LEU 68 -13.304 11.568 5.754 555 3HD1 LEU 68 3HD1 LEU 68 -14.364 12.977 5.796 556 1HD2 LEU 68 1HD2 LEU 68 -12.594 12.110 7.793 557 2HD2 LEU 68 2HD2 LEU 68 -13.439 11.424 9.181 558 3HD2 LEU 68 3HD2 LEU 68 -13.755 13.089 8.691 559 H LYS 69 H LYS 69 -18.746 13.365 8.236 560 HA LYS 69 HA LYS 69 -19.645 11.806 10.405 561 1HB LYS 69 2HB LYS 69 -19.687 14.400 9.990 562 2HB LYS 69 1HB LYS 69 -21.283 14.067 9.333 563 1HG LYS 69 2HG LYS 69 -21.496 12.743 11.641 564 2HG LYS 69 1HG LYS 69 -20.316 13.964 12.120 565 1HD LYS 69 2HD LYS 69 -22.177 15.178 12.545 566 2HD LYS 69 1HD LYS 69 -22.077 15.519 10.816 567 1HE LYS 69 2HE LYS 69 -23.537 13.078 11.673 568 2HE LYS 69 1HE LYS 69 -24.307 14.640 11.956 569 1HZ LYS 69 1HZ LYS 69 -23.526 14.932 9.436 570 2HZ LYS 69 2HZ LYS 69 -25.039 14.310 9.869 571 3HZ LYS 69 3HZ LYS 69 -23.780 13.259 9.456 572 H VAL 70 H VAL 70 -21.228 12.660 7.333 573 HA VAL 70 HA VAL 70 -23.588 11.171 7.866 574 HB VAL 70 HB VAL 70 -22.506 11.956 5.155 575 1HG1 VAL 70 1HG1 VAL 70 -25.185 11.068 6.158 576 2HG1 VAL 70 2HG1 VAL 70 -24.260 10.472 4.780 577 3HG1 VAL 70 3HG1 VAL 70 -25.038 12.053 4.702 578 1HG2 VAL 70 1HG2 VAL 70 -24.588 13.616 6.396 579 2HG2 VAL 70 2HG2 VAL 70 -23.178 14.084 5.447 580 3HG2 VAL 70 3HG2 VAL 70 -23.003 13.712 7.163 581 H ALA 71 H ALA 71 -20.630 10.451 6.042 582 HA ALA 71 HA ALA 71 -21.377 7.997 4.964 583 1HB ALA 71 1HB ALA 71 -19.327 9.117 4.310 584 2HB ALA 71 2HB ALA 71 -18.969 7.485 4.876 585 3HB ALA 71 3HB ALA 71 -18.652 8.869 5.921 586 H GLU 72 H GLU 72 -19.890 8.729 8.097 587 HA GLU 72 HA GLU 72 -19.812 6.025 8.967 588 1HB GLU 72 2HB GLU 72 -19.179 6.892 11.114 589 2HB GLU 72 1HB GLU 72 -18.363 7.841 9.881 590 1HG GLU 72 2HG GLU 72 -19.814 9.678 10.204 591 2HG GLU 72 1HG GLU 72 -20.921 8.719 11.184 592 H ASN 73 H ASN 73 -22.120 8.656 9.297 593 HA ASN 73 HA ASN 73 -23.795 7.363 11.184 594 1HB ASN 73 2HB ASN 73 -23.947 9.779 9.482 595 2HB ASN 73 1HB ASN 73 -25.486 9.094 9.995 596 1HD2 ASN 73 1HD2 ASN 73 -26.107 9.259 12.095 597 2HD2 ASN 73 2HD2 ASN 73 -25.233 10.157 13.286 598 H GLU 74 H GLU 74 -23.839 7.577 7.655 599 HA GLU 74 HA GLU 74 -26.272 6.052 7.439 600 1HB GLU 74 2HB GLU 74 -24.739 7.731 5.741 601 2HB GLU 74 1HB GLU 74 -24.865 6.164 4.955 602 1HG GLU 74 2HG GLU 74 -26.654 7.719 4.306 603 2HG GLU 74 1HG GLU 74 -27.261 6.245 5.057 604 H LEU 75 H LEU 75 -22.824 5.443 6.874 605 HA LEU 75 HA LEU 75 -23.387 2.680 6.160 606 1HB LEU 75 2HB LEU 75 -21.501 4.452 5.308 607 2HB LEU 75 1HB LEU 75 -20.584 3.499 6.459 608 HG LEU 75 HG LEU 75 -22.204 1.982 4.496 609 1HD1 LEU 75 1HD1 LEU 75 -20.043 3.860 3.739 610 2HD1 LEU 75 2HD1 LEU 75 -21.431 3.290 2.813 611 3HD1 LEU 75 3HD1 LEU 75 -20.015 2.256 3.008 612 1HD2 LEU 75 1HD2 LEU 75 -20.278 0.510 4.561 613 2HD2 LEU 75 2HD2 LEU 75 -20.806 0.894 6.198 614 3HD2 LEU 75 3HD2 LEU 75 -19.383 1.686 5.522 615 H GLY 76 H GLY 76 -21.704 4.460 8.733 616 1HA GLY 76 2HA GLY 76 -21.748 3.689 10.999 617 2HA GLY 76 1HA GLY 76 -21.952 2.052 10.401 618 H ILE 77 H ILE 77 -19.579 4.125 8.948 619 HA ILE 77 HA ILE 77 -17.473 2.351 9.905 620 HB ILE 77 HB ILE 77 -17.252 4.618 7.922 621 1HG1 ILE 77 2HG1 ILE 77 -18.853 2.901 7.164 622 2HG1 ILE 77 1HG1 ILE 77 -17.393 2.911 6.180 623 1HG2 ILE 77 1HG2 ILE 77 -15.253 3.310 9.235 624 2HG2 ILE 77 2HG2 ILE 77 -15.091 4.084 7.659 625 3HG2 ILE 77 3HG2 ILE 77 -15.404 2.353 7.762 626 1HD1 ILE 77 1HD1 ILE 77 -17.548 0.687 6.477 627 2HD1 ILE 77 2HD1 ILE 77 -18.454 0.840 7.981 628 3HD1 ILE 77 3HD1 ILE 77 -16.704 1.055 7.982 629 H THR 78 H THR 78 -16.139 2.858 11.509 630 HA THR 78 HA THR 78 -16.367 5.350 12.882 631 HB THR 78 HB THR 78 -14.209 3.293 13.319 632 HG1 THR 78 1HG THR 78 -16.884 3.247 14.260 633 1HG2 THR 78 1HG2 THR 78 -13.721 4.478 15.112 634 2HG2 THR 78 2HG2 THR 78 -15.360 4.233 15.715 635 3HG2 THR 78 3HG2 THR 78 -14.988 5.638 14.715 636 HA PRO 79 HA PRO 79 -13.475 7.644 10.351 637 1HB PRO 79 2HB PRO 79 -13.279 9.284 12.824 638 2HB PRO 79 1HB PRO 79 -13.621 9.785 11.165 639 1HG PRO 79 2HG PRO 79 -15.564 9.686 12.982 640 2HG PRO 79 1HG PRO 79 -15.857 9.190 11.305 641 1HD PRO 79 2HD PRO 79 -15.462 7.507 13.741 642 2HD PRO 79 1HD PRO 79 -16.544 7.253 12.357 643 H VAL 80 H VAL 80 -11.288 7.692 10.134 644 HA VAL 80 HA VAL 80 -9.654 6.941 12.462 645 HB VAL 80 HB VAL 80 -9.192 5.861 9.683 646 1HG1 VAL 80 1HG1 VAL 80 -7.833 4.206 11.217 647 2HG1 VAL 80 2HG1 VAL 80 -7.817 5.593 12.309 648 3HG1 VAL 80 3HG1 VAL 80 -7.139 5.739 10.687 649 1HG2 VAL 80 1HG2 VAL 80 -11.309 5.055 10.859 650 2HG2 VAL 80 2HG2 VAL 80 -10.229 4.276 12.014 651 3HG2 VAL 80 3HG2 VAL 80 -10.173 3.822 10.312 652 H VAL 81 H VAL 81 -10.239 9.318 10.349 653 HA VAL 81 HA VAL 81 -7.542 10.373 10.595 654 HB VAL 81 HB VAL 81 -7.454 11.060 8.214 655 1HG1 VAL 81 1HG1 VAL 81 -6.448 8.899 9.210 656 2HG1 VAL 81 2HG1 VAL 81 -6.518 9.073 7.457 657 3HG1 VAL 81 3HG1 VAL 81 -7.710 8.078 8.292 658 1HG2 VAL 81 1HG2 VAL 81 -9.745 11.015 7.579 659 2HG2 VAL 81 2HG2 VAL 81 -9.897 9.312 8.011 660 3HG2 VAL 81 3HG2 VAL 81 -8.922 9.786 6.620 661 H SER 82 H SER 82 -7.425 12.647 10.401 662 HA SER 82 HA SER 82 -9.939 13.974 10.985 663 1HB SER 82 2HB SER 82 -7.058 14.603 11.328 664 2HB SER 82 1HB SER 82 -8.141 15.975 11.097 665 HG SER 82 HG SER 82 -7.867 15.349 13.317 666 H ALA 83 H ALA 83 -10.781 15.723 9.836 667 HA ALA 83 HA ALA 83 -10.683 15.570 7.052 668 1HB ALA 83 1HB ALA 83 -12.604 16.591 7.674 669 2HB ALA 83 2HB ALA 83 -11.651 18.046 7.379 670 3HB ALA 83 3HB ALA 83 -11.849 17.438 9.025 671 H GLN 84 H GLN 84 -9.052 17.805 9.271 672 HA GLN 84 HA GLN 84 -7.897 19.485 7.363 673 1HB GLN 84 2HB GLN 84 -7.991 19.786 9.892 674 2HB GLN 84 1HB GLN 84 -6.588 18.729 9.970 675 1HG GLN 84 2HG GLN 84 -5.225 20.401 9.489 676 2HG GLN 84 1HG GLN 84 -6.147 20.804 8.042 677 1HE2 GLN 84 1HE2 GLN 84 -4.911 22.208 10.576 678 2HE2 GLN 84 2HE2 GLN 84 -6.114 23.387 10.953 679 H ALA 85 H ALA 85 -6.828 16.388 8.650 680 HA ALA 85 HA ALA 85 -4.238 16.437 7.493 681 1HB ALA 85 1HB ALA 85 -5.431 14.859 9.320 682 2HB ALA 85 2HB ALA 85 -3.950 14.423 8.467 683 3HB ALA 85 3HB ALA 85 -5.505 13.809 7.905 684 H VAL 86 H VAL 86 -7.320 15.016 6.451 685 HA VAL 86 HA VAL 86 -6.335 13.811 4.100 686 HB VAL 86 HB VAL 86 -9.150 14.805 4.537 687 1HG1 VAL 86 1HG1 VAL 86 -8.104 12.506 2.889 688 2HG1 VAL 86 2HG1 VAL 86 -8.569 14.082 2.249 689 3HG1 VAL 86 3HG1 VAL 86 -9.780 13.047 3.006 690 1HG2 VAL 86 1HG2 VAL 86 -7.663 12.567 5.764 691 2HG2 VAL 86 2HG2 VAL 86 -9.289 12.204 5.185 692 3HG2 VAL 86 3HG2 VAL 86 -9.041 13.483 6.372 693 H VAL 87 H VAL 87 -7.985 16.923 4.625 694 HA VAL 87 HA VAL 87 -7.996 17.752 1.946 695 HB VAL 87 HB VAL 87 -9.355 18.832 3.691 696 1HG1 VAL 87 1HG1 VAL 87 -7.595 18.799 5.448 697 2HG1 VAL 87 2HG1 VAL 87 -8.416 20.351 5.288 698 3HG1 VAL 87 3HG1 VAL 87 -6.799 20.133 4.615 699 1HG2 VAL 87 1HG2 VAL 87 -9.278 20.996 2.795 700 2HG2 VAL 87 2HG2 VAL 87 -8.636 19.967 1.515 701 3HG2 VAL 87 3HG2 VAL 87 -7.538 20.914 2.518 702 H ALA 88 H ALA 88 -5.557 18.033 4.462 703 HA ALA 88 HA ALA 88 -3.839 19.662 2.778 704 1HB ALA 88 1HB ALA 88 -4.165 19.610 5.447 705 2HB ALA 88 2HB ALA 88 -2.707 20.200 4.651 706 3HB ALA 88 3HB ALA 88 -2.761 18.554 5.286 707 H GLY 89 H GLY 89 -4.414 16.353 3.285 708 1HA GLY 89 2HA GLY 89 -3.348 14.467 2.533 709 2HA GLY 89 1HA GLY 89 -2.488 15.524 1.423 710 H SER 90 H SER 90 -2.347 15.746 4.930 711 HA SER 90 HA SER 90 0.516 15.089 4.772 712 1HB SER 90 2HB SER 90 -0.955 16.664 6.901 713 2HB SER 90 1HB SER 90 0.788 16.403 6.818 714 HG SER 90 HG SER 90 0.659 18.259 5.789 715 H ASP 91 H ASP 91 -1.614 13.109 4.944 716 HA ASP 91 HA ASP 91 -0.624 11.687 7.278 717 1HB ASP 91 2HB ASP 91 -3.347 12.769 7.056 718 2HB ASP 91 1HB ASP 91 -3.288 11.055 7.455 719 HA PRO 92 HA PRO 92 -1.123 9.179 3.346 720 1HB PRO 92 2HB PRO 92 1.299 7.921 3.665 721 2HB PRO 92 1HB PRO 92 1.065 9.399 2.729 722 1HG PRO 92 2HG PRO 92 2.059 9.066 5.531 723 2HG PRO 92 1HG PRO 92 2.643 10.152 4.256 724 1HD PRO 92 2HD PRO 92 1.074 11.033 6.250 725 2HD PRO 92 1HD PRO 92 0.934 11.679 4.600 726 H LEU 93 H LEU 93 0.272 8.229 6.480 727 HA LEU 93 HA LEU 93 -0.314 5.499 6.324 728 1HB LEU 93 2HB LEU 93 1.030 7.001 8.079 729 2HB LEU 93 1HB LEU 93 -0.474 6.842 8.967 730 HG LEU 93 HG LEU 93 -0.274 4.405 8.912 731 1HD1 LEU 93 1HD1 LEU 93 0.837 3.960 6.889 732 2HD1 LEU 93 2HD1 LEU 93 1.962 3.475 8.156 733 3HD1 LEU 93 3HD1 LEU 93 2.195 5.004 7.309 734 1HD2 LEU 93 1HD2 LEU 93 1.064 6.088 10.524 735 2HD2 LEU 93 2HD2 LEU 93 2.415 5.175 9.851 736 3HD2 LEU 93 3HD2 LEU 93 1.112 4.334 10.692 737 H GLY 94 H GLY 94 -2.209 8.193 7.639 738 1HA GLY 94 2HA GLY 94 -4.358 6.634 8.605 739 2HA GLY 94 1HA GLY 94 -4.426 8.347 8.221 740 H LEU 95 H LEU 95 -3.644 7.959 5.439 741 HA LEU 95 HA LEU 95 -6.209 7.645 4.310 742 1HB LEU 95 2HB LEU 95 -3.675 8.534 3.464 743 2HB LEU 95 1HB LEU 95 -4.123 7.243 2.366 744 HG LEU 95 HG LEU 95 -6.172 9.322 2.918 745 1HD1 LEU 95 1HD1 LEU 95 -4.604 10.923 2.534 746 2HD1 LEU 95 2HD1 LEU 95 -4.996 10.515 0.864 747 3HD1 LEU 95 3HD1 LEU 95 -3.555 9.837 1.622 748 1HD2 LEU 95 1HD2 LEU 95 -6.857 8.848 0.716 749 2HD2 LEU 95 2HD2 LEU 95 -6.434 7.288 1.421 750 3HD2 LEU 95 3HD2 LEU 95 -5.318 8.087 0.314 751 H ILE 96 H ILE 96 -3.396 5.496 4.443 752 HA ILE 96 HA ILE 96 -4.479 3.441 2.840 753 HB ILE 96 HB ILE 96 -2.455 3.118 5.059 754 1HG1 ILE 96 2HG1 ILE 96 -1.730 4.881 3.543 755 2HG1 ILE 96 1HG1 ILE 96 -0.756 3.438 3.285 756 1HG2 ILE 96 1HG2 ILE 96 -2.281 1.494 2.617 757 2HG2 ILE 96 2HG2 ILE 96 -3.686 1.172 3.632 758 3HG2 ILE 96 3HG2 ILE 96 -2.062 1.037 4.305 759 1HD1 ILE 96 1HD1 ILE 96 -2.957 3.294 1.525 760 2HD1 ILE 96 2HD1 ILE 96 -1.252 3.518 1.138 761 3HD1 ILE 96 3HD1 ILE 96 -2.285 4.919 1.411 762 H ALA 97 H ALA 97 -4.458 3.952 6.351 763 HA ALA 97 HA ALA 97 -5.738 1.532 7.035 764 1HB ALA 97 1HB ALA 97 -5.920 4.084 8.616 765 2HB ALA 97 2HB ALA 97 -4.466 3.085 8.576 766 3HB ALA 97 3HB ALA 97 -5.974 2.423 9.208 767 H TYR 98 H TYR 98 -6.971 4.751 6.272 768 HA TYR 98 HA TYR 98 -9.681 4.190 6.911 769 1HB TYR 98 2HB TYR 98 -8.508 6.479 6.610 770 2HB TYR 98 1HB TYR 98 -8.831 6.252 4.893 771 HD1 TYR 98 1HD TYR 98 -11.006 6.593 3.999 772 HD2 TYR 98 2HD TYR 98 -10.414 6.627 8.211 773 HE1 TYR 98 1HE TYR 98 -13.276 7.487 4.305 774 HE2 TYR 98 2HE TYR 98 -12.681 7.522 8.529 775 HH TYR 98 HH TYR 98 -14.414 8.973 6.315 776 H LEU 99 H LEU 99 -7.869 4.219 3.857 777 HA LEU 99 HA LEU 99 -10.000 3.605 2.153 778 1HB LEU 99 2HB LEU 99 -7.350 4.139 1.824 779 2HB LEU 99 1HB LEU 99 -7.395 2.428 1.447 780 HG LEU 99 HG LEU 99 -9.534 3.802 0.083 781 1HD1 LEU 99 1HD1 LEU 99 -8.226 5.188 -1.406 782 2HD1 LEU 99 2HD1 LEU 99 -6.754 4.801 -0.516 783 3HD1 LEU 99 3HD1 LEU 99 -8.030 5.741 0.257 784 1HD2 LEU 99 1HD2 LEU 99 -8.961 2.402 -1.592 785 2HD2 LEU 99 2HD2 LEU 99 -8.069 1.587 -0.308 786 3HD2 LEU 99 3HD2 LEU 99 -7.233 2.694 -1.396 787 H SER 100 H SER 100 -8.003 1.566 4.178 788 HA SER 100 HA SER 100 -8.710 -0.918 3.027 789 1HB SER 100 2HB SER 100 -6.911 -0.146 4.914 790 2HB SER 100 1HB SER 100 -8.147 -0.891 5.927 791 HG SER 100 HG SER 100 -7.988 -2.700 4.355 792 H HIS 101 H HIS 101 -10.058 0.937 5.731 793 HA HIS 101 HA HIS 101 -11.969 -0.959 6.538 794 1HB HIS 101 2HB HIS 101 -11.150 1.358 7.582 795 2HB HIS 101 1HB HIS 101 -12.610 1.938 6.786 796 HD1 HIS 101 1HD HIS 101 -14.741 0.088 7.382 797 HD2 HIS 101 2HD HIS 101 -11.701 0.735 10.140 798 HE1 HIS 101 1HE HIS 101 -15.685 -0.621 9.604 799 HE2 HIS 101 2HE HIS 101 -13.804 -0.289 11.245 800 H PHE 102 H PHE 102 -12.235 1.813 4.328 801 HA PHE 102 HA PHE 102 -14.957 1.471 3.712 802 1HB PHE 102 2HB PHE 102 -12.730 3.077 2.740 803 2HB PHE 102 1HB PHE 102 -13.810 2.592 1.438 804 HD1 PHE 102 1HD PHE 102 -14.082 3.868 4.937 805 HD2 PHE 102 2HD PHE 102 -15.499 4.048 0.929 806 HE1 PHE 102 1HE PHE 102 -15.645 5.658 5.574 807 HE2 PHE 102 2HE PHE 102 -17.064 5.839 1.558 808 HZ PHE 102 HZ PHE 102 -17.138 6.647 3.884 809 H HIS 103 H HIS 103 -12.046 0.027 2.397 810 HA HIS 103 HA HIS 103 -13.206 -1.096 0.077 811 1HB HIS 103 2HB HIS 103 -10.749 -0.819 0.484 812 2HB HIS 103 1HB HIS 103 -10.836 -2.152 1.630 813 HD1 HIS 103 1HD HIS 103 -9.624 -1.686 -1.536 814 HD2 HIS 103 2HD HIS 103 -12.369 -4.404 -0.009 815 HE1 HIS 103 1HE HIS 103 -9.639 -3.609 -3.158 816 HE2 HIS 103 2HE HIS 103 -11.367 -5.205 -2.254 817 H SER 104 H SER 104 -12.589 -2.439 3.309 818 HA SER 104 HA SER 104 -13.642 -5.001 2.766 819 1HB SER 104 2HB SER 104 -12.196 -4.072 4.786 820 2HB SER 104 1HB SER 104 -13.783 -3.868 5.527 821 HG SER 104 HG SER 104 -12.965 -6.300 4.333 822 H ALA 105 H ALA 105 -15.083 -2.063 4.111 823 HA ALA 105 HA ALA 105 -17.596 -3.190 4.737 824 1HB ALA 105 1HB ALA 105 -17.004 -0.312 4.063 825 2HB ALA 105 2HB ALA 105 -16.739 -1.044 5.646 826 3HB ALA 105 3HB ALA 105 -18.372 -0.929 4.990 827 H PHE 106 H PHE 106 -16.353 -1.565 1.853 828 HA PHE 106 HA PHE 106 -18.802 -1.454 0.454 829 1HB PHE 106 2HB PHE 106 -15.916 -1.268 -0.331 830 2HB PHE 106 1HB PHE 106 -17.151 -1.380 -1.580 831 HD1 PHE 106 1HD PHE 106 -17.437 0.386 1.664 832 HD2 PHE 106 2HD PHE 106 -17.000 0.738 -2.553 833 HE1 PHE 106 1HE PHE 106 -17.825 2.808 1.832 834 HE2 PHE 106 2HE PHE 106 -17.388 3.163 -2.394 835 HZ PHE 106 HZ PHE 106 -17.800 4.201 -0.199 836 H LYS 107 H LYS 107 -16.188 -3.839 0.510 837 HA LYS 107 HA LYS 107 -17.189 -5.508 -1.521 838 1HB LYS 107 2HB LYS 107 -15.119 -5.644 0.541 839 2HB LYS 107 1HB LYS 107 -15.840 -7.209 0.187 840 1HG LYS 107 2HG LYS 107 -15.095 -5.582 -2.153 841 2HG LYS 107 1HG LYS 107 -13.761 -6.176 -1.161 842 1HD LYS 107 2HD LYS 107 -15.961 -8.010 -2.047 843 2HD LYS 107 1HD LYS 107 -14.602 -7.643 -3.111 844 1HE LYS 107 2HE LYS 107 -14.302 -8.696 -0.304 845 2HE LYS 107 1HE LYS 107 -14.338 -9.722 -1.737 846 1HZ LYS 107 1HZ LYS 107 -12.075 -9.259 -1.088 847 2HZ LYS 107 2HZ LYS 107 -12.350 -7.592 -1.163 848 3HZ LYS 107 3HZ LYS 107 -12.398 -8.520 -2.577 849 H SER 108 H SER 108 -17.635 -5.569 1.998 850 HA SER 108 HA SER 108 -19.191 -7.921 2.077 851 1HB SER 108 2HB SER 108 -18.392 -5.822 3.935 852 2HB SER 108 1HB SER 108 -20.035 -6.388 4.241 853 HG SER 108 HG SER 108 -17.832 -8.136 3.904 854 H MET 109 H MET 109 -20.161 -4.491 2.133 855 HA MET 109 HA MET 109 -22.940 -5.021 2.069 856 1HB MET 109 2HB MET 109 -21.622 -2.841 2.683 857 2HB MET 109 1HB MET 109 -21.774 -2.492 0.966 858 1HG MET 109 2HG MET 109 -24.328 -3.239 1.736 859 2HG MET 109 1HG MET 109 -23.729 -2.273 3.083 860 1HE MET 109 1HE MET 109 -23.449 0.175 3.117 861 2HE MET 109 2HE MET 109 -25.179 -0.117 2.938 862 3HE MET 109 3HE MET 109 -24.401 1.168 2.012 Start of MODEL 12 1 1H MET -8 1HT MET -8 8.389 -11.734 11.124 2 2H MET -8 2HT MET -8 7.080 -11.649 10.018 3 3H MET -8 3HT MET -8 8.415 -12.676 9.694 4 HA MET -8 HA MET -8 7.888 -13.985 11.616 5 1HB MET -8 2HB MET -8 5.795 -11.856 11.852 6 2HB MET -8 1HB MET -8 5.449 -13.469 12.459 7 1HG MET -8 2HG MET -8 8.032 -12.549 13.354 8 2HG MET -8 1HG MET -8 6.758 -11.413 13.790 9 1HE MET -8 1HE MET -8 7.525 -15.139 13.504 10 2HE MET -8 2HE MET -8 5.771 -15.326 13.537 11 3HE MET -8 3HE MET -8 6.742 -15.873 14.904 12 H GLY -7 H GLY -7 7.558 -15.765 10.442 13 1HA GLY -7 2HA GLY -7 6.093 -17.358 9.490 14 2HA GLY -7 1HA GLY -7 5.001 -16.053 9.048 15 H HIS -6 H HIS -6 5.000 -17.308 6.993 16 HA HIS -6 HA HIS -6 5.539 -17.487 4.791 17 1HB HIS -6 2HB HIS -6 7.000 -14.962 5.528 18 2HB HIS -6 1HB HIS -6 7.087 -15.622 3.899 19 HD1 HIS -6 1HD HIS -6 5.410 -13.078 5.509 20 HD2 HIS -6 2HD HIS -6 4.085 -16.233 3.152 21 HE1 HIS -6 1HE HIS -6 3.152 -12.376 4.655 22 HE2 HIS -6 2HE HIS -6 2.409 -14.264 3.159 23 H HIS -5 H HIS -5 7.199 -18.194 3.323 24 HA HIS -5 HA HIS -5 9.768 -18.859 4.577 25 1HB HIS -5 2HB HIS -5 7.923 -20.790 3.165 26 2HB HIS -5 1HB HIS -5 9.617 -21.134 3.497 27 HD1 HIS -5 1HD HIS -5 7.110 -22.696 4.691 28 HD2 HIS -5 2HD HIS -5 9.389 -19.823 6.646 29 HE1 HIS -5 1HE HIS -5 6.797 -23.145 7.147 30 HE2 HIS -5 2HE HIS -5 8.256 -21.450 8.307 31 H HIS -4 H HIS -4 7.956 -19.138 1.516 32 HA HIS -4 HA HIS -4 10.379 -18.208 0.117 33 1HB HIS -4 2HB HIS -4 8.207 -20.044 -0.914 34 2HB HIS -4 1HB HIS -4 9.581 -19.466 -1.852 35 HD1 HIS -4 1HD HIS -4 8.595 -22.420 -0.387 36 HD2 HIS -4 2HD HIS -4 12.081 -20.182 -0.062 37 HE1 HIS -4 1HE HIS -4 10.354 -24.028 0.420 38 HE2 HIS -4 2HE HIS -4 12.434 -22.631 0.690 39 H HIS -3 H HIS -3 10.078 -16.102 -0.269 40 HA HIS -3 HA HIS -3 7.959 -15.290 -2.024 41 1HB HIS -3 2HB HIS -3 7.670 -14.902 0.832 42 2HB HIS -3 1HB HIS -3 7.693 -13.357 -0.010 43 HD1 HIS -3 1HD HIS -3 5.393 -15.791 1.099 44 HD2 HIS -3 2HD HIS -3 5.765 -13.549 -2.379 45 HE1 HIS -3 1HE HIS -3 3.114 -15.815 0.037 46 HE2 HIS -3 2HE HIS -3 3.341 -14.374 -2.018 47 H HIS -2 H HIS -2 8.472 -13.467 -3.164 48 HA HIS -2 HA HIS -2 11.075 -12.247 -2.526 49 1HB HIS -2 2HB HIS -2 9.716 -12.258 -5.223 50 2HB HIS -2 1HB HIS -2 11.388 -11.837 -4.862 51 HD1 HIS -2 1HD HIS -2 10.268 -14.150 -6.828 52 HD2 HIS -2 2HD HIS -2 11.974 -14.628 -3.069 53 HE1 HIS -2 1HE HIS -2 11.153 -16.504 -6.785 54 HE2 HIS -2 2HE HIS -2 12.261 -16.740 -4.536 55 H HIS -1 H HIS -1 11.322 -9.959 -3.237 56 HA HIS -1 HA HIS -1 9.141 -8.399 -2.202 57 1HB HIS -1 2HB HIS -1 11.962 -7.938 -2.929 58 2HB HIS -1 1HB HIS -1 10.901 -6.554 -3.169 59 HD1 HIS -1 1HD HIS -1 10.014 -8.770 -0.354 60 HD2 HIS -1 2HD HIS -1 12.276 -5.340 -0.971 61 HE1 HIS -1 1HE HIS -1 10.437 -7.824 1.936 62 HE2 HIS -1 2HE HIS -1 11.880 -5.797 1.545 63 H MET 0 H MET 0 7.476 -7.719 -3.363 64 HA MET 0 HA MET 0 7.649 -6.311 -5.758 65 1HB MET 0 2HB MET 0 8.108 -8.932 -6.309 66 2HB MET 0 1HB MET 0 6.362 -8.861 -6.501 67 1HG MET 0 2HG MET 0 6.484 -7.380 -8.269 68 2HG MET 0 1HG MET 0 8.099 -6.830 -7.831 69 1HE MET 0 1HE MET 0 5.954 -9.660 -9.452 70 2HE MET 0 2HE MET 0 7.010 -9.972 -10.829 71 3HE MET 0 3HE MET 0 6.379 -8.349 -10.552 72 H GLY 1 H GLY 1 5.729 -8.405 -3.692 73 1HA GLY 1 2HA GLY 1 3.242 -7.175 -4.571 74 2HA GLY 1 1HA GLY 1 3.405 -8.476 -3.402 75 H SER 2 H SER 2 5.406 -5.680 -3.012 76 HA SER 2 HA SER 2 3.789 -4.912 -0.682 77 1HB SER 2 2HB SER 2 6.710 -4.394 -1.289 78 2HB SER 2 1HB SER 2 5.864 -3.831 0.152 79 HG SER 2 HG SER 2 6.053 -6.560 -0.600 80 H ALA 3 H ALA 3 5.499 -3.622 -3.491 81 HA ALA 3 HA ALA 3 4.461 -0.948 -2.994 82 1HB ALA 3 1HB ALA 3 6.539 -2.124 -4.732 83 2HB ALA 3 2HB ALA 3 6.545 -0.620 -3.810 84 3HB ALA 3 3HB ALA 3 5.705 -0.703 -5.358 85 H GLY 4 H GLY 4 3.889 -3.703 -5.060 86 1HA GLY 4 2HA GLY 4 2.275 -2.345 -6.982 87 2HA GLY 4 1HA GLY 4 2.362 -4.083 -6.741 88 H THR 5 H THR 5 1.662 -3.632 -3.826 89 HA THR 5 HA THR 5 -1.073 -4.160 -3.997 90 HB THR 5 HB THR 5 -0.907 -3.322 -1.463 91 HG1 THR 5 1HG THR 5 1.045 -2.918 -0.841 92 1HG2 THR 5 1HG2 THR 5 0.560 -5.801 -2.310 93 2HG2 THR 5 2HG2 THR 5 -1.198 -5.674 -2.254 94 3HG2 THR 5 3HG2 THR 5 -0.253 -5.491 -0.776 95 H GLN 6 H GLN 6 0.646 -1.136 -3.373 96 HA GLN 6 HA GLN 6 -1.606 0.443 -2.778 97 1HB GLN 6 2HB GLN 6 1.045 0.871 -2.674 98 2HB GLN 6 1HB GLN 6 0.682 1.718 -4.171 99 1HG GLN 6 2HG GLN 6 0.523 3.365 -2.547 100 2HG GLN 6 1HG GLN 6 -1.152 2.901 -2.838 101 1HE2 GLN 6 1HE2 GLN 6 -2.258 1.714 -1.274 102 2HE2 GLN 6 2HE2 GLN 6 -1.705 1.613 0.359 103 H GLU 7 H GLU 7 -0.135 -0.520 -5.807 104 HA GLU 7 HA GLU 7 -1.384 1.345 -7.495 105 1HB GLU 7 2HB GLU 7 -0.032 -1.269 -7.836 106 2HB GLU 7 1HB GLU 7 -1.101 -0.769 -9.139 107 1HG GLU 7 2HG GLU 7 0.143 1.297 -9.396 108 2HG GLU 7 1HG GLU 7 1.192 0.848 -8.052 109 H GLU 8 H GLU 8 -2.370 -1.934 -6.530 110 HA GLU 8 HA GLU 8 -4.752 -1.947 -8.062 111 1HB GLU 8 2HB GLU 8 -5.374 -3.907 -6.750 112 2HB GLU 8 1HB GLU 8 -3.692 -4.008 -7.249 113 1HG GLU 8 2HG GLU 8 -2.899 -3.659 -5.108 114 2HG GLU 8 1HG GLU 8 -4.396 -2.904 -4.566 115 H LEU 9 H LEU 9 -3.959 -0.794 -4.861 116 HA LEU 9 HA LEU 9 -6.611 -0.528 -3.898 117 1HB LEU 9 2HB LEU 9 -4.253 -0.393 -2.700 118 2HB LEU 9 1HB LEU 9 -4.458 1.323 -2.993 119 HG LEU 9 HG LEU 9 -5.227 0.834 -0.777 120 1HD1 LEU 9 1HD1 LEU 9 -7.447 1.710 -0.859 121 2HD1 LEU 9 2HD1 LEU 9 -7.663 1.151 -2.518 122 3HD1 LEU 9 3HD1 LEU 9 -6.522 2.449 -2.167 123 1HD2 LEU 9 1HD2 LEU 9 -7.395 -0.712 -0.766 124 2HD2 LEU 9 2HD2 LEU 9 -5.768 -1.358 -0.546 125 3HD2 LEU 9 3HD2 LEU 9 -6.547 -1.448 -2.126 126 H LEU 10 H LEU 10 -4.384 1.740 -5.474 127 HA LEU 10 HA LEU 10 -6.076 3.988 -5.375 128 1HB LEU 10 2HB LEU 10 -3.744 3.213 -7.095 129 2HB LEU 10 1HB LEU 10 -4.646 4.677 -7.433 130 HG LEU 10 HG LEU 10 -3.461 4.155 -4.721 131 1HD1 LEU 10 1HD1 LEU 10 -1.477 4.150 -5.808 132 2HD1 LEU 10 2HD1 LEU 10 -1.726 5.895 -5.761 133 3HD1 LEU 10 3HD1 LEU 10 -2.121 4.987 -7.220 134 1HD2 LEU 10 1HD2 LEU 10 -3.799 6.425 -4.335 135 2HD2 LEU 10 2HD2 LEU 10 -5.248 5.938 -5.214 136 3HD2 LEU 10 3HD2 LEU 10 -3.952 6.794 -6.052 137 H ARG 11 H ARG 11 -5.799 1.331 -7.647 138 HA ARG 11 HA ARG 11 -7.387 2.438 -9.707 139 1HB ARG 11 2HB ARG 11 -6.782 -0.429 -8.979 140 2HB ARG 11 1HB ARG 11 -7.652 0.044 -10.431 141 1HG ARG 11 2HG ARG 11 -4.895 1.047 -9.792 142 2HG ARG 11 1HG ARG 11 -5.192 -0.434 -10.704 143 1HD ARG 11 2HD ARG 11 -6.704 1.089 -12.170 144 2HD ARG 11 1HD ARG 11 -5.773 2.404 -11.450 145 HE ARG 11 HE ARG 11 -4.151 0.304 -12.558 146 1HH1 ARG 11 1HH1 ARG 11 -5.847 3.277 -13.242 147 2HH1 ARG 11 2HH1 ARG 11 -4.872 3.662 -14.621 148 1HH2 ARG 11 1HH2 ARG 11 -2.867 0.810 -14.369 149 2HH2 ARG 11 2HH2 ARG 11 -3.180 2.262 -15.260 150 H TRP 12 H TRP 12 -8.149 0.518 -6.853 151 HA TRP 12 HA TRP 12 -10.861 0.032 -7.484 152 1HB TRP 12 2HB TRP 12 -9.638 -1.268 -5.795 153 2HB TRP 12 1HB TRP 12 -9.519 0.161 -4.775 154 HD1 TRP 12 HD TRP 12 -12.197 -2.244 -6.179 155 HE1 TRP 12 1HE TRP 12 -14.198 -2.247 -4.559 156 HE3 TRP 12 3HE TRP 12 -10.629 1.395 -2.949 157 HZ2 TRP 12 2HZ TRP 12 -15.002 -0.884 -2.221 158 HZ3 TRP 12 3HZ TRP 12 -12.072 1.985 -1.047 159 HH2 TRP 12 HH TRP 12 -14.214 0.870 -0.692 160 H CYS 13 H CYS 13 -9.310 2.513 -5.459 161 HA CYS 13 HA CYS 13 -11.685 3.815 -4.693 162 1HB CYS 13 2HB CYS 13 -9.401 4.085 -3.643 163 2HB CYS 13 1HB CYS 13 -8.978 5.118 -5.003 164 HG CYS 13 HG CYS 13 -10.840 5.880 -2.680 165 H GLN 14 H GLN 14 -9.424 4.439 -7.359 166 HA GLN 14 HA GLN 14 -10.800 6.706 -8.352 167 1HB GLN 14 2HB GLN 14 -8.457 6.281 -8.892 168 2HB GLN 14 1HB GLN 14 -8.903 4.814 -9.753 169 1HG GLN 14 2HG GLN 14 -10.435 6.649 -11.028 170 2HG GLN 14 1HG GLN 14 -9.024 7.616 -10.601 171 1HE2 GLN 14 1HE2 GLN 14 -10.085 4.701 -12.248 172 2HE2 GLN 14 2HE2 GLN 14 -8.737 4.593 -13.322 173 H GLU 15 H GLU 15 -11.068 3.258 -8.963 174 HA GLU 15 HA GLU 15 -12.694 3.415 -11.267 175 1HB GLU 15 2HB GLU 15 -11.970 1.328 -9.292 176 2HB GLU 15 1HB GLU 15 -13.465 1.066 -10.180 177 1HG GLU 15 2HG GLU 15 -12.387 0.893 -12.213 178 2HG GLU 15 1HG GLU 15 -10.967 1.774 -11.650 179 H GLN 16 H GLN 16 -13.471 3.130 -7.819 180 HA GLN 16 HA GLN 16 -16.275 3.026 -8.145 181 1HB GLN 16 2HB GLN 16 -14.559 3.856 -5.803 182 2HB GLN 16 1HB GLN 16 -16.310 3.720 -5.718 183 1HG GLN 16 2HG GLN 16 -14.779 1.385 -6.717 184 2HG GLN 16 1HG GLN 16 -14.717 1.749 -4.993 185 1HE2 GLN 16 1HE2 GLN 16 -16.324 0.061 -7.315 186 2HE2 GLN 16 2HE2 GLN 16 -17.827 -0.194 -6.499 187 H THR 17 H THR 17 -14.002 5.686 -7.767 188 HA THR 17 HA THR 17 -16.143 7.646 -7.685 189 HB THR 17 HB THR 17 -14.050 7.860 -6.313 190 HG1 THR 17 1HG THR 17 -14.132 10.004 -6.458 191 1HG2 THR 17 1HG2 THR 17 -12.765 7.575 -8.820 192 2HG2 THR 17 2HG2 THR 17 -12.045 7.773 -7.223 193 3HG2 THR 17 3HG2 THR 17 -12.426 9.189 -8.201 194 H ALA 18 H ALA 18 -15.036 5.884 -10.114 195 HA ALA 18 HA ALA 18 -14.463 7.942 -12.055 196 1HB ALA 18 1HB ALA 18 -13.428 5.670 -12.114 197 2HB ALA 18 2HB ALA 18 -14.193 6.161 -13.627 198 3HB ALA 18 3HB ALA 18 -15.008 5.021 -12.556 199 H GLY 19 H GLY 19 -15.913 9.015 -13.228 200 1HA GLY 19 2HA GLY 19 -17.919 8.536 -14.738 201 2HA GLY 19 1HA GLY 19 -18.686 8.012 -13.248 202 H TYR 20 H TYR 20 -17.319 10.157 -11.710 203 HA TYR 20 HA TYR 20 -19.319 12.174 -12.093 204 1HB TYR 20 2HB TYR 20 -16.915 12.181 -10.255 205 2HB TYR 20 1HB TYR 20 -18.292 13.273 -10.162 206 HD1 TYR 20 1HD TYR 20 -20.260 12.649 -9.007 207 HD2 TYR 20 2HD TYR 20 -17.269 9.731 -9.800 208 HE1 TYR 20 1HE TYR 20 -21.411 11.072 -7.514 209 HE2 TYR 20 2HE TYR 20 -18.412 8.144 -8.311 210 HH TYR 20 HH TYR 20 -20.585 7.745 -7.365 211 HA PRO 21 HA PRO 21 -16.905 14.655 -14.895 212 1HB PRO 21 2HB PRO 21 -18.464 16.853 -14.934 213 2HB PRO 21 1HB PRO 21 -18.942 15.347 -15.726 214 1HG PRO 21 2HG PRO 21 -19.787 16.440 -13.069 215 2HG PRO 21 1HG PRO 21 -20.772 15.670 -14.328 216 1HD PRO 21 2HD PRO 21 -19.895 14.356 -12.108 217 2HD PRO 21 1HD PRO 21 -20.189 13.550 -13.662 218 H GLY 22 H GLY 22 -15.005 15.172 -13.872 219 1HA GLY 22 2HA GLY 22 -13.727 17.142 -13.247 220 2HA GLY 22 1HA GLY 22 -15.072 17.615 -12.217 221 H VAL 23 H VAL 23 -14.088 14.295 -12.302 222 HA VAL 23 HA VAL 23 -12.668 14.643 -9.748 223 HB VAL 23 HB VAL 23 -14.556 12.360 -10.317 224 1HG1 VAL 23 1HG1 VAL 23 -13.974 11.505 -8.318 225 2HG1 VAL 23 2HG1 VAL 23 -13.826 13.092 -7.565 226 3HG1 VAL 23 3HG1 VAL 23 -12.509 12.458 -8.552 227 1HG2 VAL 23 1HG2 VAL 23 -16.113 14.005 -10.078 228 2HG2 VAL 23 2HG2 VAL 23 -15.038 15.041 -9.141 229 3HG2 VAL 23 3HG2 VAL 23 -15.819 13.658 -8.374 230 H HIS 24 H HIS 24 -10.694 13.864 -9.855 231 HA HIS 24 HA HIS 24 -10.171 11.453 -11.446 232 1HB HIS 24 2HB HIS 24 -8.827 14.117 -11.673 233 2HB HIS 24 1HB HIS 24 -7.880 12.659 -11.942 234 HD1 HIS 24 1HD HIS 24 -10.064 14.987 -13.639 235 HD2 HIS 24 2HD HIS 24 -9.045 10.983 -14.081 236 HE1 HIS 24 1HE HIS 24 -10.752 14.372 -15.979 237 HE2 HIS 24 2HE HIS 24 -10.047 11.969 -16.253 238 H VAL 25 H VAL 25 -10.290 10.500 -9.288 239 HA VAL 25 HA VAL 25 -8.352 11.193 -7.302 240 HB VAL 25 HB VAL 25 -10.002 8.672 -7.519 241 1HG1 VAL 25 1HG1 VAL 25 -8.129 9.735 -5.500 242 2HG1 VAL 25 2HG1 VAL 25 -8.570 8.070 -5.876 243 3HG1 VAL 25 3HG1 VAL 25 -9.638 9.063 -4.885 244 1HG2 VAL 25 1HG2 VAL 25 -11.297 10.830 -7.496 245 2HG2 VAL 25 2HG2 VAL 25 -10.616 11.135 -5.897 246 3HG2 VAL 25 3HG2 VAL 25 -11.644 9.728 -6.164 247 H SER 26 H SER 26 -6.259 10.886 -7.676 248 HA SER 26 HA SER 26 -5.297 8.215 -8.202 249 1HB SER 26 2HB SER 26 -5.615 9.943 -10.384 250 2HB SER 26 1HB SER 26 -3.893 9.993 -10.012 251 HG SER 26 HG SER 26 -3.983 8.239 -11.228 252 H ASP 27 H ASP 27 -5.182 10.393 -6.141 253 HA ASP 27 HA ASP 27 -2.277 10.328 -5.775 254 1HB ASP 27 2HB ASP 27 -3.979 12.797 -5.355 255 2HB ASP 27 1HB ASP 27 -2.259 12.657 -5.001 256 H LEU 28 H LEU 28 -1.600 10.500 -3.562 257 HA LEU 28 HA LEU 28 -3.649 9.520 -1.722 258 1HB LEU 28 2HB LEU 28 -0.640 9.556 -1.467 259 2HB LEU 28 1HB LEU 28 -1.747 8.854 -0.301 260 HG LEU 28 HG LEU 28 -0.834 7.070 -1.591 261 1HD1 LEU 28 1HD1 LEU 28 -3.573 7.593 -2.722 262 2HD1 LEU 28 2HD1 LEU 28 -3.280 7.024 -1.079 263 3HD1 LEU 28 3HD1 LEU 28 -2.794 6.033 -2.455 264 1HD2 LEU 28 1HD2 LEU 28 -0.633 7.003 -3.897 265 2HD2 LEU 28 2HD2 LEU 28 -0.282 8.694 -3.534 266 3HD2 LEU 28 3HD2 LEU 28 -1.873 8.235 -4.143 267 H SER 29 H SER 29 -3.691 12.291 -2.355 268 HA SER 29 HA SER 29 -3.841 13.397 0.224 269 1HB SER 29 2HB SER 29 -1.492 13.552 0.337 270 2HB SER 29 1HB SER 29 -1.357 14.045 -1.350 271 HG SER 29 HG SER 29 -2.554 15.589 0.710 272 H SER 30 H SER 30 -2.617 15.080 -2.644 273 HA SER 30 HA SER 30 -4.483 17.135 -2.572 274 1HB SER 30 2HB SER 30 -3.076 16.085 -5.037 275 2HB SER 30 1HB SER 30 -3.741 17.703 -4.814 276 HG SER 30 HG SER 30 -1.632 17.928 -4.335 277 H SER 31 H SER 31 -4.811 13.922 -3.808 278 HA SER 31 HA SER 31 -6.933 14.382 -5.624 279 1HB SER 31 2HB SER 31 -5.580 12.075 -4.453 280 2HB SER 31 1HB SER 31 -7.300 11.794 -4.715 281 HG SER 31 HG SER 31 -6.856 12.685 -6.900 282 H TRP 32 H TRP 32 -6.801 13.923 -2.163 283 HA TRP 32 HA TRP 32 -9.735 13.877 -2.034 284 1HB TRP 32 2HB TRP 32 -7.770 13.380 0.208 285 2HB TRP 32 1HB TRP 32 -9.504 13.072 0.230 286 HD1 TRP 32 HD TRP 32 -6.643 11.931 -2.154 287 HE1 TRP 32 1HE TRP 32 -6.892 9.394 -2.514 288 HE3 TRP 32 3HE TRP 32 -10.733 11.089 0.795 289 HZ2 TRP 32 2HZ TRP 32 -8.596 7.312 -1.660 290 HZ3 TRP 32 3HZ TRP 32 -11.610 8.797 0.969 291 HH2 TRP 32 HH TRP 32 -10.563 6.949 -0.234 292 H ALA 33 H ALA 33 -7.874 16.254 -2.488 293 HA ALA 33 HA ALA 33 -7.808 17.913 -0.254 294 1HB ALA 33 1HB ALA 33 -8.081 19.719 -2.230 295 2HB ALA 33 2HB ALA 33 -7.637 18.295 -3.170 296 3HB ALA 33 3HB ALA 33 -6.577 18.867 -1.882 297 H ASP 34 H ASP 34 -10.237 17.911 -2.875 298 HA ASP 34 HA ASP 34 -11.995 19.597 -1.321 299 1HB ASP 34 2HB ASP 34 -13.535 19.315 -3.293 300 2HB ASP 34 1HB ASP 34 -11.961 20.004 -3.679 301 H GLY 35 H GLY 35 -11.310 16.410 -1.089 302 1HA GLY 35 2HA GLY 35 -12.376 14.686 -0.012 303 2HA GLY 35 1HA GLY 35 -13.630 15.832 0.435 304 H LEU 36 H LEU 36 -12.790 15.277 -2.900 305 HA LEU 36 HA LEU 36 -15.484 14.530 -3.518 306 1HB LEU 36 2HB LEU 36 -13.057 15.237 -4.985 307 2HB LEU 36 1HB LEU 36 -13.993 13.984 -5.777 308 HG LEU 36 HG LEU 36 -15.016 16.711 -4.983 309 1HD1 LEU 36 1HD1 LEU 36 -15.290 16.496 -7.679 310 2HD1 LEU 36 2HD1 LEU 36 -13.771 15.641 -7.408 311 3HD1 LEU 36 3HD1 LEU 36 -13.955 17.308 -6.862 312 1HD2 LEU 36 1HD2 LEU 36 -16.341 14.299 -6.167 313 2HD2 LEU 36 2HD2 LEU 36 -16.949 15.923 -6.489 314 3HD2 LEU 36 3HD2 LEU 36 -16.877 15.322 -4.834 315 H ALA 37 H ALA 37 -12.424 12.835 -3.180 316 HA ALA 37 HA ALA 37 -13.178 10.384 -4.322 317 1HB ALA 37 1HB ALA 37 -11.182 9.574 -3.563 318 2HB ALA 37 2HB ALA 37 -11.310 10.402 -2.012 319 3HB ALA 37 3HB ALA 37 -10.859 11.305 -3.456 320 H LEU 38 H LEU 38 -13.313 11.509 -0.952 321 HA LEU 38 HA LEU 38 -14.393 9.114 0.096 322 1HB LEU 38 2HB LEU 38 -13.342 11.325 1.206 323 2HB LEU 38 1HB LEU 38 -15.045 11.683 1.421 324 HG LEU 38 HG LEU 38 -13.803 9.101 2.354 325 1HD1 LEU 38 1HD1 LEU 38 -13.760 11.793 3.568 326 2HD1 LEU 38 2HD1 LEU 38 -12.651 10.437 3.766 327 3HD1 LEU 38 3HD1 LEU 38 -14.187 10.453 4.632 328 1HD2 LEU 38 1HD2 LEU 38 -15.779 8.926 3.717 329 2HD2 LEU 38 2HD2 LEU 38 -16.258 9.177 2.038 330 3HD2 LEU 38 3HD2 LEU 38 -16.333 10.515 3.185 331 H CYS 39 H CYS 39 -15.878 12.141 -0.995 332 HA CYS 39 HA CYS 39 -18.531 11.418 -0.322 333 1HB CYS 39 2HB CYS 39 -17.234 13.684 -1.358 334 2HB CYS 39 1HB CYS 39 -18.420 13.226 -2.575 335 HG CYS 39 HG CYS 39 -19.031 14.522 0.077 336 H ALA 40 H ALA 40 -16.564 10.986 -3.203 337 HA ALA 40 HA ALA 40 -18.563 10.187 -4.991 338 1HB ALA 40 1HB ALA 40 -16.213 10.744 -5.594 339 2HB ALA 40 2HB ALA 40 -16.807 9.255 -6.328 340 3HB ALA 40 3HB ALA 40 -15.723 9.182 -4.939 341 H LEU 41 H LEU 41 -16.510 8.230 -2.842 342 HA LEU 41 HA LEU 41 -17.554 5.729 -3.557 343 1HB LEU 41 2HB LEU 41 -16.407 6.586 -0.899 344 2HB LEU 41 1HB LEU 41 -16.612 4.930 -1.437 345 HG LEU 41 HG LEU 41 -14.966 6.727 -3.142 346 1HD1 LEU 41 1HD1 LEU 41 -13.193 6.918 -1.760 347 2HD1 LEU 41 2HD1 LEU 41 -13.523 5.386 -0.949 348 3HD1 LEU 41 3HD1 LEU 41 -14.435 6.831 -0.510 349 1HD2 LEU 41 1HD2 LEU 41 -15.610 4.124 -3.292 350 2HD2 LEU 41 2HD2 LEU 41 -14.127 4.012 -2.346 351 3HD2 LEU 41 3HD2 LEU 41 -14.107 4.790 -3.928 352 H VAL 42 H VAL 42 -18.443 7.936 -0.919 353 HA VAL 42 HA VAL 42 -20.416 6.359 0.265 354 HB VAL 42 HB VAL 42 -20.470 9.372 0.074 355 1HG1 VAL 42 1HG1 VAL 42 -22.512 8.576 0.975 356 2HG1 VAL 42 2HG1 VAL 42 -21.541 9.114 2.345 357 3HG1 VAL 42 3HG1 VAL 42 -21.686 7.394 1.989 358 1HG2 VAL 42 1HG2 VAL 42 -18.379 7.876 1.051 359 2HG2 VAL 42 2HG2 VAL 42 -19.334 8.208 2.495 360 3HG2 VAL 42 3HG2 VAL 42 -18.752 9.541 1.498 361 H TYR 43 H TYR 43 -20.628 8.662 -2.412 362 HA TYR 43 HA TYR 43 -23.418 8.633 -2.715 363 1HB TYR 43 2HB TYR 43 -21.849 10.266 -3.788 364 2HB TYR 43 1HB TYR 43 -21.371 8.997 -4.911 365 HD1 TYR 43 1HD TYR 43 -22.815 8.331 -6.720 366 HD2 TYR 43 2HD TYR 43 -24.101 11.240 -3.895 367 HE1 TYR 43 1HE TYR 43 -24.681 8.938 -8.201 368 HE2 TYR 43 2HE TYR 43 -25.971 11.854 -5.368 369 HH TYR 43 HH TYR 43 -27.315 10.647 -7.237 370 H ARG 44 H ARG 44 -20.898 6.524 -3.982 371 HA ARG 44 HA ARG 44 -22.482 5.091 -5.812 372 1HB ARG 44 2HB ARG 44 -19.817 5.005 -4.858 373 2HB ARG 44 1HB ARG 44 -20.478 3.390 -4.657 374 1HG ARG 44 2HG ARG 44 -20.395 4.980 -7.212 375 2HG ARG 44 1HG ARG 44 -19.385 3.592 -6.801 376 1HD ARG 44 2HD ARG 44 -22.240 3.057 -6.541 377 2HD ARG 44 1HD ARG 44 -21.766 3.510 -8.177 378 HE ARG 44 HE ARG 44 -20.536 1.560 -8.350 379 1HH1 ARG 44 1HH1 ARG 44 -21.729 1.936 -5.087 380 2HH1 ARG 44 2HH1 ARG 44 -21.324 0.319 -4.623 381 1HH2 ARG 44 1HH2 ARG 44 -20.006 -0.564 -7.735 382 2HH2 ARG 44 2HH2 ARG 44 -20.347 -1.100 -6.124 383 H LEU 45 H LEU 45 -21.833 4.609 -2.371 384 HA LEU 45 HA LEU 45 -23.430 2.193 -2.287 385 1HB LEU 45 2HB LEU 45 -21.827 3.753 -0.303 386 2HB LEU 45 1HB LEU 45 -23.014 2.597 0.272 387 HG LEU 45 HG LEU 45 -20.689 1.706 0.142 388 1HD1 LEU 45 1HD1 LEU 45 -22.806 0.321 -0.021 389 2HD1 LEU 45 2HD1 LEU 45 -21.329 -0.420 -0.639 390 3HD1 LEU 45 3HD1 LEU 45 -22.511 0.260 -1.760 391 1HD2 LEU 45 1HD2 LEU 45 -20.059 2.933 -1.921 392 2HD2 LEU 45 2HD2 LEU 45 -21.111 1.855 -2.839 393 3HD2 LEU 45 3HD2 LEU 45 -19.705 1.207 -1.993 394 H GLN 46 H GLN 46 -23.768 5.586 -1.519 395 HA GLN 46 HA GLN 46 -26.628 5.162 -1.069 396 1HB GLN 46 2HB GLN 46 -26.532 6.842 0.814 397 2HB GLN 46 1HB GLN 46 -25.829 5.271 1.169 398 1HG GLN 46 2HG GLN 46 -23.622 6.116 0.960 399 2HG GLN 46 1HG GLN 46 -24.203 7.638 0.289 400 1HE2 GLN 46 1HE2 GLN 46 -26.100 8.478 1.901 401 2HE2 GLN 46 2HE2 GLN 46 -25.532 8.684 3.519 402 HA PRO 47 HA PRO 47 -25.615 8.696 -3.952 403 1HB PRO 47 2HB PRO 47 -27.331 7.931 -5.916 404 2HB PRO 47 1HB PRO 47 -25.665 7.352 -5.815 405 1HG PRO 47 2HG PRO 47 -28.193 6.010 -4.941 406 2HG PRO 47 1HG PRO 47 -26.802 5.324 -5.800 407 1HD PRO 47 2HD PRO 47 -27.172 4.992 -3.141 408 2HD PRO 47 1HD PRO 47 -25.557 5.104 -3.870 409 H GLY 48 H GLY 48 -28.582 7.235 -2.795 410 1HA GLY 48 2HA GLY 48 -30.204 9.543 -3.418 411 2HA GLY 48 1HA GLY 48 -30.711 8.119 -2.521 412 H LEU 49 H LEU 49 -27.943 8.964 -1.040 413 HA LEU 49 HA LEU 49 -29.200 10.979 0.688 414 1HB LEU 49 2HB LEU 49 -28.173 8.288 1.438 415 2HB LEU 49 1HB LEU 49 -27.904 9.608 2.559 416 HG LEU 49 HG LEU 49 -30.612 8.769 1.524 417 1HD1 LEU 49 1HD1 LEU 49 -30.079 7.010 2.898 418 2HD1 LEU 49 2HD1 LEU 49 -30.789 8.134 4.056 419 3HD1 LEU 49 3HD1 LEU 49 -29.035 7.989 3.930 420 1HD2 LEU 49 1HD2 LEU 49 -30.602 11.092 2.109 421 2HD2 LEU 49 2HD2 LEU 49 -29.754 10.758 3.619 422 3HD2 LEU 49 3HD2 LEU 49 -31.412 10.201 3.397 423 H LEU 50 H LEU 50 -27.210 11.313 -1.353 424 HA LEU 50 HA LEU 50 -25.155 12.563 0.275 425 1HB LEU 50 2HB LEU 50 -24.696 10.092 -1.024 426 2HB LEU 50 1HB LEU 50 -23.819 11.310 -1.929 427 HG LEU 50 HG LEU 50 -22.466 10.208 -0.168 428 1HD1 LEU 50 1HD1 LEU 50 -21.324 12.131 0.428 429 2HD1 LEU 50 2HD1 LEU 50 -22.802 13.081 0.587 430 3HD1 LEU 50 3HD1 LEU 50 -22.206 12.637 -1.013 431 1HD2 LEU 50 1HD2 LEU 50 -22.882 10.570 2.139 432 2HD2 LEU 50 2HD2 LEU 50 -24.396 9.998 1.437 433 3HD2 LEU 50 3HD2 LEU 50 -24.181 11.713 1.794 434 H GLU 51 H GLU 51 -23.803 14.057 -0.959 435 HA GLU 51 HA GLU 51 -24.839 14.836 -3.577 436 1HB GLU 51 2HB GLU 51 -24.743 16.660 -1.170 437 2HB GLU 51 1HB GLU 51 -24.913 17.239 -2.821 438 1HG GLU 51 2HG GLU 51 -26.840 15.175 -2.025 439 2HG GLU 51 1HG GLU 51 -26.973 16.705 -1.159 440 HA PRO 52 HA PRO 52 -20.143 14.866 -2.974 441 1HB PRO 52 2HB PRO 52 -19.774 13.757 -5.499 442 2HB PRO 52 1HB PRO 52 -19.766 12.862 -3.977 443 1HG PRO 52 2HG PRO 52 -21.973 13.215 -5.958 444 2HG PRO 52 1HG PRO 52 -21.520 11.776 -5.024 445 1HD PRO 52 2HD PRO 52 -23.624 13.270 -4.325 446 2HD PRO 52 1HD PRO 52 -22.565 12.550 -3.094 447 H SER 53 H SER 53 -22.221 15.648 -5.735 448 HA SER 53 HA SER 53 -20.425 17.303 -7.105 449 1HB SER 53 2HB SER 53 -22.547 18.352 -8.055 450 2HB SER 53 1HB SER 53 -22.382 16.608 -8.265 451 HG SER 53 HG SER 53 -24.287 17.999 -6.950 452 H GLU 54 H GLU 54 -22.713 17.985 -4.515 453 HA GLU 54 HA GLU 54 -22.298 20.804 -4.529 454 1HB GLU 54 2HB GLU 54 -23.995 18.963 -3.195 455 2HB GLU 54 1HB GLU 54 -23.158 19.888 -1.956 456 1HG GLU 54 2HG GLU 54 -23.950 21.954 -2.880 457 2HG GLU 54 1HG GLU 54 -24.653 21.111 -4.260 458 H LEU 55 H LEU 55 -21.132 18.188 -2.410 459 HA LEU 55 HA LEU 55 -19.506 19.856 -0.802 460 1HB LEU 55 2HB LEU 55 -19.580 16.896 -1.303 461 2HB LEU 55 1HB LEU 55 -18.361 17.613 -0.268 462 HG LEU 55 HG LEU 55 -20.094 16.811 1.146 463 1HD1 LEU 55 1HD1 LEU 55 -20.939 19.639 1.111 464 2HD1 LEU 55 2HD1 LEU 55 -19.210 19.334 1.273 465 3HD1 LEU 55 3HD1 LEU 55 -20.340 18.647 2.439 466 1HD2 LEU 55 1HD2 LEU 55 -21.861 16.586 -0.497 467 2HD2 LEU 55 2HD2 LEU 55 -22.015 18.340 -0.604 468 3HD2 LEU 55 3HD2 LEU 55 -22.436 17.506 0.892 469 H GLN 56 H GLN 56 -19.123 18.785 -3.978 470 HA GLN 56 HA GLN 56 -16.350 18.409 -4.139 471 1HB GLN 56 2HB GLN 56 -17.896 17.707 -5.894 472 2HB GLN 56 1HB GLN 56 -18.299 19.386 -6.227 473 1HG GLN 56 2HG GLN 56 -15.449 18.587 -6.406 474 2HG GLN 56 1HG GLN 56 -16.545 18.038 -7.675 475 1HE2 GLN 56 1HE2 GLN 56 -14.931 19.442 -8.863 476 2HE2 GLN 56 2HE2 GLN 56 -15.352 21.107 -9.056 477 H GLY 57 H GLY 57 -18.334 21.314 -4.435 478 1HA GLY 57 2HA GLY 57 -15.835 22.886 -4.586 479 2HA GLY 57 1HA GLY 57 -17.363 23.402 -5.284 480 H LEU 58 H LEU 58 -18.542 22.204 -2.630 481 HA LEU 58 HA LEU 58 -18.995 24.630 -1.348 482 1HB LEU 58 2HB LEU 58 -19.330 21.773 -0.606 483 2HB LEU 58 1HB LEU 58 -19.428 22.958 0.681 484 HG LEU 58 HG LEU 58 -21.059 23.524 -1.719 485 1HD1 LEU 58 1HD1 LEU 58 -22.344 21.714 -1.713 486 2HD1 LEU 58 2HD1 LEU 58 -22.509 21.755 0.041 487 3HD1 LEU 58 3HD1 LEU 58 -21.131 20.939 -0.695 488 1HD2 LEU 58 1HD2 LEU 58 -20.900 24.799 0.523 489 2HD2 LEU 58 2HD2 LEU 58 -21.942 23.516 1.138 490 3HD2 LEU 58 3HD2 LEU 58 -22.485 24.530 -0.198 491 H GLY 59 H GLY 59 -16.342 22.388 -1.054 492 1HA GLY 59 2HA GLY 59 -14.414 23.933 -0.106 493 2HA GLY 59 1HA GLY 59 -15.356 23.708 1.360 494 H ALA 60 H ALA 60 -12.707 22.922 1.184 495 HA ALA 60 HA ALA 60 -12.478 20.144 0.546 496 1HB ALA 60 1HB ALA 60 -10.402 21.017 0.417 497 2HB ALA 60 2HB ALA 60 -10.344 20.593 2.127 498 3HB ALA 60 3HB ALA 60 -10.725 22.245 1.640 499 H LEU 61 H LEU 61 -12.081 21.786 3.689 500 HA LEU 61 HA LEU 61 -12.339 19.474 5.242 501 1HB LEU 61 2HB LEU 61 -12.512 22.397 5.755 502 2HB LEU 61 1HB LEU 61 -13.134 21.323 6.992 503 HG LEU 61 HG LEU 61 -10.739 20.168 6.585 504 1HD1 LEU 61 1HD1 LEU 61 -10.205 23.103 6.169 505 2HD1 LEU 61 2HD1 LEU 61 -10.164 21.899 4.881 506 3HD1 LEU 61 3HD1 LEU 61 -9.027 21.792 6.226 507 1HD2 LEU 61 1HD2 LEU 61 -10.670 22.558 8.328 508 2HD2 LEU 61 2HD2 LEU 61 -10.264 20.878 8.684 509 3HD2 LEU 61 3HD2 LEU 61 -11.952 21.385 8.631 510 H GLU 62 H GLU 62 -14.749 21.762 4.074 511 HA GLU 62 HA GLU 62 -16.927 20.860 5.599 512 1HB GLU 62 2HB GLU 62 -16.648 22.933 4.009 513 2HB GLU 62 1HB GLU 62 -17.304 21.841 2.796 514 1HG GLU 62 2HG GLU 62 -19.318 22.442 3.486 515 2HG GLU 62 1HG GLU 62 -18.997 21.546 4.970 516 H ALA 63 H ALA 63 -15.745 19.868 2.407 517 HA ALA 63 HA ALA 63 -17.804 18.032 1.838 518 1HB ALA 63 1HB ALA 63 -16.113 18.987 0.222 519 2HB ALA 63 2HB ALA 63 -16.442 17.263 0.061 520 3HB ALA 63 3HB ALA 63 -14.968 17.807 0.860 521 H THR 64 H THR 64 -14.637 17.625 3.376 522 HA THR 64 HA THR 64 -14.812 14.815 3.674 523 HB THR 64 HB THR 64 -13.235 16.356 5.654 524 HG1 THR 64 1HG THR 64 -11.718 16.932 4.040 525 1HG2 THR 64 1HG2 THR 64 -11.689 14.715 5.440 526 2HG2 THR 64 2HG2 THR 64 -12.035 14.455 3.730 527 3HG2 THR 64 3HG2 THR 64 -13.125 13.811 4.960 528 H ALA 65 H ALA 65 -15.379 17.476 5.973 529 HA ALA 65 HA ALA 65 -16.132 15.874 8.148 530 1HB ALA 65 1HB ALA 65 -17.425 18.516 7.905 531 2HB ALA 65 2HB ALA 65 -15.663 18.497 7.845 532 3HB ALA 65 3HB ALA 65 -16.505 17.818 9.238 533 H TRP 66 H TRP 66 -18.085 17.380 5.597 534 HA TRP 66 HA TRP 66 -20.589 16.577 6.640 535 1HB TRP 66 2HB TRP 66 -20.025 18.351 4.819 536 2HB TRP 66 1HB TRP 66 -20.114 16.991 3.704 537 HD1 TRP 66 HD TRP 66 -22.264 19.405 5.611 538 HE1 TRP 66 1HE TRP 66 -24.745 18.922 5.130 539 HE3 TRP 66 3HE TRP 66 -21.769 14.921 3.205 540 HZ2 TRP 66 2HZ TRP 66 -26.290 16.908 3.894 541 HZ3 TRP 66 3HZ TRP 66 -23.798 13.782 2.405 542 HH2 TRP 66 HH TRP 66 -26.011 14.755 2.743 543 H ALA 67 H ALA 67 -18.544 15.206 4.074 544 HA ALA 67 HA ALA 67 -20.219 13.016 3.493 545 1HB ALA 67 1HB ALA 67 -18.512 13.753 1.942 546 2HB ALA 67 2HB ALA 67 -18.250 12.062 2.370 547 3HB ALA 67 3HB ALA 67 -17.246 13.320 3.093 548 H LEU 68 H LEU 68 -17.540 13.416 5.760 549 HA LEU 68 HA LEU 68 -17.331 10.704 6.517 550 1HB LEU 68 2HB LEU 68 -16.457 13.302 7.695 551 2HB LEU 68 1HB LEU 68 -16.383 11.859 8.688 552 HG LEU 68 HG LEU 68 -15.092 11.951 5.976 553 1HD1 LEU 68 1HD1 LEU 68 -14.213 13.220 8.494 554 2HD1 LEU 68 2HD1 LEU 68 -13.841 13.633 6.821 555 3HD1 LEU 68 3HD1 LEU 68 -13.000 12.296 7.606 556 1HD2 LEU 68 1HD2 LEU 68 -14.074 10.006 6.575 557 2HD2 LEU 68 2HD2 LEU 68 -15.548 9.847 7.531 558 3HD2 LEU 68 3HD2 LEU 68 -14.059 10.411 8.291 559 H LYS 69 H LYS 69 -19.141 13.421 7.917 560 HA LYS 69 HA LYS 69 -20.165 12.011 10.130 561 1HB LYS 69 2HB LYS 69 -20.198 14.601 9.380 562 2HB LYS 69 1HB LYS 69 -21.842 14.148 8.949 563 1HG LYS 69 2HG LYS 69 -22.057 13.231 11.300 564 2HG LYS 69 1HG LYS 69 -20.542 14.064 11.654 565 1HD LYS 69 2HD LYS 69 -21.512 16.102 11.635 566 2HD LYS 69 1HD LYS 69 -22.590 15.689 10.300 567 1HE LYS 69 2HE LYS 69 -23.064 14.397 12.933 568 2HE LYS 69 1HE LYS 69 -23.493 16.096 12.757 569 1HZ LYS 69 1HZ LYS 69 -24.567 13.770 11.289 570 2HZ LYS 69 2HZ LYS 69 -24.721 15.338 10.676 571 3HZ LYS 69 3HZ LYS 69 -25.409 14.944 12.169 572 H VAL 70 H VAL 70 -21.581 12.683 6.935 573 HA VAL 70 HA VAL 70 -23.988 11.262 7.432 574 HB VAL 70 HB VAL 70 -23.816 12.976 5.673 575 1HG1 VAL 70 1HG1 VAL 70 -21.485 12.217 4.973 576 2HG1 VAL 70 2HG1 VAL 70 -22.593 12.697 3.689 577 3HG1 VAL 70 3HG1 VAL 70 -22.302 10.988 4.008 578 1HG2 VAL 70 1HG2 VAL 70 -24.609 10.205 4.804 579 2HG2 VAL 70 2HG2 VAL 70 -24.946 11.650 3.850 580 3HG2 VAL 70 3HG2 VAL 70 -25.640 11.475 5.462 581 H ALA 71 H ALA 71 -20.951 10.390 5.814 582 HA ALA 71 HA ALA 71 -21.668 7.875 4.866 583 1HB ALA 71 1HB ALA 71 -19.293 7.351 4.861 584 2HB ALA 71 2HB ALA 71 -18.973 8.709 5.942 585 3HB ALA 71 3HB ALA 71 -19.556 9.003 4.304 586 H GLU 72 H GLU 72 -20.372 8.821 8.021 587 HA GLU 72 HA GLU 72 -20.341 6.191 9.099 588 1HB GLU 72 2HB GLU 72 -18.965 8.059 9.981 589 2HB GLU 72 1HB GLU 72 -20.431 8.840 10.555 590 1HG GLU 72 2HG GLU 72 -19.962 6.060 11.443 591 2HG GLU 72 1HG GLU 72 -18.899 7.305 12.098 592 H ASN 73 H ASN 73 -22.669 8.827 9.079 593 HA ASN 73 HA ASN 73 -24.470 7.667 10.935 594 1HB ASN 73 2HB ASN 73 -24.300 10.119 10.090 595 2HB ASN 73 1HB ASN 73 -25.337 9.565 8.781 596 1HD2 ASN 73 1HD2 ASN 73 -27.215 10.519 9.246 597 2HD2 ASN 73 2HD2 ASN 73 -28.089 10.319 10.722 598 H GLU 74 H GLU 74 -24.263 7.615 7.408 599 HA GLU 74 HA GLU 74 -26.684 6.088 7.125 600 1HB GLU 74 2HB GLU 74 -25.247 7.734 5.464 601 2HB GLU 74 1HB GLU 74 -24.874 6.140 4.823 602 1HG GLU 74 2HG GLU 74 -27.701 6.480 5.390 603 2HG GLU 74 1HG GLU 74 -27.088 7.661 4.235 604 H LEU 75 H LEU 75 -23.207 5.401 6.868 605 HA LEU 75 HA LEU 75 -23.844 2.563 6.490 606 1HB LEU 75 2HB LEU 75 -21.780 4.313 5.516 607 2HB LEU 75 1HB LEU 75 -21.062 2.940 6.337 608 HG LEU 75 HG LEU 75 -23.168 2.564 4.228 609 1HD1 LEU 75 1HD1 LEU 75 -21.289 3.935 3.330 610 2HD1 LEU 75 2HD1 LEU 75 -21.476 2.363 2.555 611 3HD1 LEU 75 3HD1 LEU 75 -20.197 2.615 3.743 612 1HD2 LEU 75 1HD2 LEU 75 -21.530 0.457 4.055 613 2HD2 LEU 75 2HD2 LEU 75 -22.909 0.515 5.153 614 3HD2 LEU 75 3HD2 LEU 75 -21.288 0.867 5.752 615 H GLY 76 H GLY 76 -21.764 4.646 8.502 616 1HA GLY 76 2HA GLY 76 -21.781 4.152 10.924 617 2HA GLY 76 1HA GLY 76 -21.729 2.453 10.486 618 H ILE 77 H ILE 77 -19.796 4.416 8.492 619 HA ILE 77 HA ILE 77 -17.396 3.244 9.602 620 HB ILE 77 HB ILE 77 -17.581 5.207 7.320 621 1HG1 ILE 77 2HG1 ILE 77 -19.050 3.267 6.906 622 2HG1 ILE 77 1HG1 ILE 77 -17.665 3.286 5.817 623 1HG2 ILE 77 1HG2 ILE 77 -15.493 3.887 6.638 624 2HG2 ILE 77 2HG2 ILE 77 -15.482 3.306 8.303 625 3HG2 ILE 77 3HG2 ILE 77 -15.347 5.032 7.971 626 1HD1 ILE 77 1HD1 ILE 77 -18.188 1.045 6.664 627 2HD1 ILE 77 2HD1 ILE 77 -17.883 1.611 8.306 628 3HD1 ILE 77 3HD1 ILE 77 -16.572 1.581 7.128 629 H THR 78 H THR 78 -16.629 4.173 11.404 630 HA THR 78 HA THR 78 -16.934 6.955 11.973 631 HB THR 78 HB THR 78 -16.880 5.431 13.819 632 HG1 THR 78 1HG THR 78 -15.255 6.370 15.051 633 1HG2 THR 78 1HG2 THR 78 -14.296 4.492 12.654 634 2HG2 THR 78 2HG2 THR 78 -15.691 3.554 13.188 635 3HG2 THR 78 3HG2 THR 78 -14.634 4.317 14.375 636 HA PRO 79 HA PRO 79 -13.526 8.591 9.638 637 1HB PRO 79 2HB PRO 79 -13.378 10.502 11.921 638 2HB PRO 79 1HB PRO 79 -13.458 10.826 10.186 639 1HG PRO 79 2HG PRO 79 -15.598 11.179 11.722 640 2HG PRO 79 1HG PRO 79 -15.755 10.493 10.095 641 1HD PRO 79 2HD PRO 79 -15.871 9.128 12.748 642 2HD PRO 79 1HD PRO 79 -16.788 8.796 11.265 643 H VAL 80 H VAL 80 -11.378 8.235 9.617 644 HA VAL 80 HA VAL 80 -10.112 7.411 12.148 645 HB VAL 80 HB VAL 80 -9.248 6.605 9.371 646 1HG1 VAL 80 1HG1 VAL 80 -7.425 6.410 10.849 647 2HG1 VAL 80 2HG1 VAL 80 -8.097 4.784 10.718 648 3HG1 VAL 80 3HG1 VAL 80 -8.437 5.768 12.142 649 1HG2 VAL 80 1HG2 VAL 80 -10.364 4.530 9.656 650 2HG2 VAL 80 2HG2 VAL 80 -11.544 5.789 10.021 651 3HG2 VAL 80 3HG2 VAL 80 -10.769 4.900 11.332 652 H VAL 81 H VAL 81 -10.025 9.682 9.586 653 HA VAL 81 HA VAL 81 -7.553 10.809 10.687 654 HB VAL 81 HB VAL 81 -6.869 11.445 8.341 655 1HG1 VAL 81 1HG1 VAL 81 -5.453 9.841 9.067 656 2HG1 VAL 81 2HG1 VAL 81 -6.287 8.867 7.855 657 3HG1 VAL 81 3HG1 VAL 81 -6.758 8.757 9.551 658 1HG2 VAL 81 1HG2 VAL 81 -8.648 9.199 7.449 659 2HG2 VAL 81 2HG2 VAL 81 -7.800 10.395 6.467 660 3HG2 VAL 81 3HG2 VAL 81 -9.196 10.874 7.435 661 H SER 82 H SER 82 -7.376 13.064 10.520 662 HA SER 82 HA SER 82 -9.881 14.451 10.448 663 1HB SER 82 2HB SER 82 -7.059 15.517 10.716 664 2HB SER 82 1HB SER 82 -8.532 16.449 10.987 665 HG SER 82 HG SER 82 -9.021 14.735 12.596 666 H ALA 83 H ALA 83 -10.514 16.104 9.035 667 HA ALA 83 HA ALA 83 -10.051 15.665 6.320 668 1HB ALA 83 1HB ALA 83 -11.072 18.189 7.618 669 2HB ALA 83 2HB ALA 83 -12.049 16.780 7.206 670 3HB ALA 83 3HB ALA 83 -11.281 17.722 5.928 671 H GLN 84 H GLN 84 -8.665 18.092 8.503 672 HA GLN 84 HA GLN 84 -7.225 19.564 6.624 673 1HB GLN 84 2HB GLN 84 -7.569 20.226 8.991 674 2HB GLN 84 1HB GLN 84 -6.430 18.981 9.483 675 1HG GLN 84 2HG GLN 84 -4.648 20.096 8.275 676 2HG GLN 84 1HG GLN 84 -5.781 21.322 7.705 677 1HE2 GLN 84 1HE2 GLN 84 -4.305 22.834 8.695 678 2HE2 GLN 84 2HE2 GLN 84 -4.413 23.147 10.389 679 H ALA 85 H ALA 85 -6.383 16.595 8.332 680 HA ALA 85 HA ALA 85 -3.691 16.480 7.449 681 1HB ALA 85 1HB ALA 85 -4.219 13.905 7.959 682 2HB ALA 85 2HB ALA 85 -5.571 14.653 8.809 683 3HB ALA 85 3HB ALA 85 -3.914 15.095 9.224 684 H VAL 86 H VAL 86 -6.685 14.985 6.261 685 HA VAL 86 HA VAL 86 -5.550 13.464 4.204 686 HB VAL 86 HB VAL 86 -8.287 14.736 4.139 687 1HG1 VAL 86 1HG1 VAL 86 -8.229 13.745 2.116 688 2HG1 VAL 86 2HG1 VAL 86 -8.552 12.281 3.044 689 3HG1 VAL 86 3HG1 VAL 86 -6.901 12.673 2.561 690 1HG2 VAL 86 1HG2 VAL 86 -8.673 12.193 5.046 691 2HG2 VAL 86 2HG2 VAL 86 -8.630 13.633 6.063 692 3HG2 VAL 86 3HG2 VAL 86 -7.180 12.646 5.870 693 H VAL 87 H VAL 87 -7.007 16.714 4.079 694 HA VAL 87 HA VAL 87 -6.437 17.138 1.337 695 HB VAL 87 HB VAL 87 -6.835 19.268 3.438 696 1HG1 VAL 87 1HG1 VAL 87 -6.147 19.549 0.817 697 2HG1 VAL 87 2HG1 VAL 87 -7.012 20.755 1.769 698 3HG1 VAL 87 3HG1 VAL 87 -7.906 19.639 0.736 699 1HG2 VAL 87 1HG2 VAL 87 -8.685 17.283 2.372 700 2HG2 VAL 87 2HG2 VAL 87 -9.251 18.940 2.167 701 3HG2 VAL 87 3HG2 VAL 87 -8.842 18.340 3.774 702 H ALA 88 H ALA 88 -4.658 17.747 4.295 703 HA ALA 88 HA ALA 88 -2.617 19.298 2.956 704 1HB ALA 88 1HB ALA 88 -3.161 19.891 5.220 705 2HB ALA 88 2HB ALA 88 -1.508 19.280 5.175 706 3HB ALA 88 3HB ALA 88 -2.810 18.254 5.776 707 H GLY 89 H GLY 89 -3.262 15.993 3.408 708 1HA GLY 89 2HA GLY 89 -2.047 14.098 2.970 709 2HA GLY 89 1HA GLY 89 -1.011 15.130 1.993 710 H SER 90 H SER 90 -1.493 15.580 5.434 711 HA SER 90 HA SER 90 1.344 14.928 5.842 712 1HB SER 90 2HB SER 90 0.825 16.236 8.073 713 2HB SER 90 1HB SER 90 1.124 17.113 6.573 714 HG SER 90 HG SER 90 -1.060 17.425 6.333 715 H ASP 91 H ASP 91 -0.771 12.933 5.743 716 HA ASP 91 HA ASP 91 -0.168 11.607 8.239 717 1HB ASP 91 2HB ASP 91 -2.412 13.070 8.334 718 2HB ASP 91 1HB ASP 91 -3.073 11.613 7.598 719 HA PRO 92 HA PRO 92 -0.435 8.983 4.348 720 1HB PRO 92 2HB PRO 92 1.922 7.675 4.885 721 2HB PRO 92 1HB PRO 92 1.796 9.124 3.884 722 1HG PRO 92 2HG PRO 92 2.578 8.868 6.760 723 2HG PRO 92 1HG PRO 92 3.281 9.891 5.494 724 1HD PRO 92 2HD PRO 92 1.600 10.887 7.336 725 2HD PRO 92 1HD PRO 92 1.597 11.473 5.660 726 H LEU 93 H LEU 93 0.703 8.109 7.606 727 HA LEU 93 HA LEU 93 0.076 5.391 7.511 728 1HB LEU 93 2HB LEU 93 0.486 7.389 9.674 729 2HB LEU 93 1HB LEU 93 -0.271 5.870 10.113 730 HG LEU 93 HG LEU 93 2.328 5.920 8.609 731 1HD1 LEU 93 1HD1 LEU 93 3.355 5.570 10.918 732 2HD1 LEU 93 2HD1 LEU 93 1.866 6.271 11.554 733 3HD1 LEU 93 3HD1 LEU 93 2.896 7.215 10.476 734 1HD2 LEU 93 1HD2 LEU 93 2.439 3.770 10.161 735 2HD2 LEU 93 2HD2 LEU 93 1.631 3.754 8.593 736 3HD2 LEU 93 3HD2 LEU 93 0.684 3.930 10.072 737 H GLY 94 H GLY 94 -1.895 8.156 8.534 738 1HA GLY 94 2HA GLY 94 -4.142 6.620 9.332 739 2HA GLY 94 1HA GLY 94 -4.144 8.339 8.970 740 H LEU 95 H LEU 95 -3.195 8.059 6.261 741 HA LEU 95 HA LEU 95 -5.638 7.811 4.919 742 1HB LEU 95 2HB LEU 95 -3.544 9.038 4.169 743 2HB LEU 95 1HB LEU 95 -2.929 7.483 3.644 744 HG LEU 95 HG LEU 95 -5.263 7.442 2.342 745 1HD1 LEU 95 1HD1 LEU 95 -5.479 9.895 3.418 746 2HD1 LEU 95 2HD1 LEU 95 -6.202 9.437 1.877 747 3HD1 LEU 95 3HD1 LEU 95 -4.660 10.293 1.908 748 1HD2 LEU 95 1HD2 LEU 95 -2.996 7.200 1.392 749 2HD2 LEU 95 2HD2 LEU 95 -2.842 8.957 1.373 750 3HD2 LEU 95 3HD2 LEU 95 -4.065 8.167 0.375 751 H ILE 96 H ILE 96 -2.949 5.528 5.262 752 HA ILE 96 HA ILE 96 -4.048 3.529 3.579 753 HB ILE 96 HB ILE 96 -2.102 3.128 5.854 754 1HG1 ILE 96 2HG1 ILE 96 -1.346 4.883 4.276 755 2HG1 ILE 96 1HG1 ILE 96 -0.329 3.447 4.214 756 1HG2 ILE 96 1HG2 ILE 96 -1.410 1.150 4.673 757 2HG2 ILE 96 2HG2 ILE 96 -2.504 1.516 3.339 758 3HG2 ILE 96 3HG2 ILE 96 -3.156 1.086 4.921 759 1HD1 ILE 96 1HD1 ILE 96 -1.417 2.733 2.177 760 2HD1 ILE 96 2HD1 ILE 96 -0.793 4.372 1.996 761 3HD1 ILE 96 3HD1 ILE 96 -2.516 4.109 2.258 762 H ALA 97 H ALA 97 -4.050 3.961 7.107 763 HA ALA 97 HA ALA 97 -5.442 1.612 7.749 764 1HB ALA 97 1HB ALA 97 -4.196 3.322 9.264 765 2HB ALA 97 2HB ALA 97 -5.577 2.430 9.904 766 3HB ALA 97 3HB ALA 97 -5.775 4.100 9.370 767 H TYR 98 H TYR 98 -6.569 4.809 6.807 768 HA TYR 98 HA TYR 98 -9.302 4.393 7.433 769 1HB TYR 98 2HB TYR 98 -8.286 6.633 7.108 770 2HB TYR 98 1HB TYR 98 -8.102 6.279 5.393 771 HD1 TYR 98 1HD TYR 98 -10.281 5.692 4.103 772 HD2 TYR 98 2HD TYR 98 -10.222 7.667 7.872 773 HE1 TYR 98 1HE TYR 98 -12.545 6.554 3.681 774 HE2 TYR 98 2HE TYR 98 -12.486 8.534 7.460 775 HH TYR 98 HH TYR 98 -14.468 7.928 6.086 776 H LEU 99 H LEU 99 -7.471 4.130 4.398 777 HA LEU 99 HA LEU 99 -9.596 3.443 2.725 778 1HB LEU 99 2HB LEU 99 -6.655 3.161 2.653 779 2HB LEU 99 1HB LEU 99 -7.549 2.084 1.597 780 HG LEU 99 HG LEU 99 -6.862 4.100 0.412 781 1HD1 LEU 99 1HD1 LEU 99 -8.779 4.261 -0.769 782 2HD1 LEU 99 2HD1 LEU 99 -9.763 4.572 0.661 783 3HD1 LEU 99 3HD1 LEU 99 -9.269 2.924 0.272 784 1HD2 LEU 99 1HD2 LEU 99 -8.336 6.185 1.203 785 2HD2 LEU 99 2HD2 LEU 99 -6.698 5.891 1.789 786 3HD2 LEU 99 3HD2 LEU 99 -8.085 5.407 2.765 787 H SER 100 H SER 100 -7.720 1.502 4.952 788 HA SER 100 HA SER 100 -8.468 -1.044 4.016 789 1HB SER 100 2HB SER 100 -7.475 -0.000 6.652 790 2HB SER 100 1HB SER 100 -7.988 -1.680 6.497 791 HG SER 100 HG SER 100 -5.956 -1.868 5.895 792 H HIS 101 H HIS 101 -10.007 1.206 6.242 793 HA HIS 101 HA HIS 101 -12.034 -0.626 7.087 794 1HB HIS 101 2HB HIS 101 -11.160 1.528 8.264 795 2HB HIS 101 1HB HIS 101 -12.325 2.358 7.238 796 HD1 HIS 101 1HD HIS 101 -14.484 -0.014 7.487 797 HD2 HIS 101 2HD HIS 101 -12.607 2.005 10.596 798 HE1 HIS 101 1HE HIS 101 -16.007 -0.270 9.471 799 HE2 HIS 101 2HE HIS 101 -14.809 0.886 11.362 800 H PHE 102 H PHE 102 -11.965 2.121 4.831 801 HA PHE 102 HA PHE 102 -14.660 1.951 4.043 802 1HB PHE 102 2HB PHE 102 -12.383 3.518 3.363 803 2HB PHE 102 1HB PHE 102 -13.073 2.906 1.864 804 HD1 PHE 102 1HD PHE 102 -14.757 4.107 0.867 805 HD2 PHE 102 2HD PHE 102 -14.145 4.501 5.060 806 HE1 PHE 102 1HE PHE 102 -16.490 5.852 0.953 807 HE2 PHE 102 2HE PHE 102 -15.876 6.245 5.153 808 HZ PHE 102 HZ PHE 102 -17.051 6.923 3.098 809 H HIS 103 H HIS 103 -11.729 0.457 2.755 810 HA HIS 103 HA HIS 103 -12.949 -0.722 0.488 811 1HB HIS 103 2HB HIS 103 -10.462 -0.357 0.887 812 2HB HIS 103 1HB HIS 103 -10.514 -1.781 1.920 813 HD1 HIS 103 1HD HIS 103 -9.410 -1.019 -1.242 814 HD2 HIS 103 2HD HIS 103 -12.025 -3.931 0.155 815 HE1 HIS 103 1HE HIS 103 -9.431 -2.808 -3.009 816 HE2 HIS 103 2HE HIS 103 -11.081 -4.521 -2.179 817 H SER 104 H SER 104 -12.249 -1.936 3.744 818 HA SER 104 HA SER 104 -13.185 -4.566 3.293 819 1HB SER 104 2HB SER 104 -12.602 -2.920 5.730 820 2HB SER 104 1HB SER 104 -13.443 -4.461 5.905 821 HG SER 104 HG SER 104 -11.694 -5.484 4.931 822 H ALA 105 H ALA 105 -14.741 -1.664 4.609 823 HA ALA 105 HA ALA 105 -17.198 -2.897 5.259 824 1HB ALA 105 1HB ALA 105 -16.737 0.000 4.568 825 2HB ALA 105 2HB ALA 105 -16.430 -0.712 6.151 826 3HB ALA 105 3HB ALA 105 -18.071 -0.671 5.506 827 H PHE 106 H PHE 106 -16.112 -1.131 2.379 828 HA PHE 106 HA PHE 106 -18.593 -1.279 1.018 829 1HB PHE 106 2HB PHE 106 -15.770 -0.692 0.171 830 2HB PHE 106 1HB PHE 106 -17.057 -0.834 -1.022 831 HD1 PHE 106 1HD PHE 106 -16.971 0.716 2.371 832 HD2 PHE 106 2HD PHE 106 -17.543 1.259 -1.807 833 HE1 PHE 106 1HE PHE 106 -17.600 3.062 2.767 834 HE2 PHE 106 2HE PHE 106 -18.170 3.607 -1.423 835 HZ PHE 106 HZ PHE 106 -18.200 4.512 0.867 836 H LYS 107 H LYS 107 -15.881 -3.443 1.326 837 HA LYS 107 HA LYS 107 -16.425 -5.079 -0.917 838 1HB LYS 107 2HB LYS 107 -14.261 -5.068 0.276 839 2HB LYS 107 1HB LYS 107 -15.038 -5.806 1.670 840 1HG LYS 107 2HG LYS 107 -14.514 -7.779 0.813 841 2HG LYS 107 1HG LYS 107 -15.687 -7.466 -0.468 842 1HD LYS 107 2HD LYS 107 -14.082 -6.933 -1.992 843 2HD LYS 107 1HD LYS 107 -12.997 -6.258 -0.774 844 1HE LYS 107 2HE LYS 107 -13.040 -8.883 -0.065 845 2HE LYS 107 1HE LYS 107 -13.204 -8.996 -1.816 846 1HZ LYS 107 1HZ LYS 107 -10.866 -8.811 -0.580 847 2HZ LYS 107 2HZ LYS 107 -11.167 -7.167 -0.840 848 3HZ LYS 107 3HZ LYS 107 -11.126 -8.237 -2.150 849 H SER 108 H SER 108 -17.610 -5.049 2.384 850 HA SER 108 HA SER 108 -19.480 -7.206 1.660 851 1HB SER 108 2HB SER 108 -17.541 -7.645 3.431 852 2HB SER 108 1HB SER 108 -18.691 -6.861 4.516 853 HG SER 108 HG SER 108 -20.131 -8.464 4.169 854 H MET 109 H MET 109 -19.792 -4.303 1.499 855 HA MET 109 HA MET 109 -22.382 -4.061 2.532 856 1HB MET 109 2HB MET 109 -20.780 -3.870 4.624 857 2HB MET 109 1HB MET 109 -20.586 -2.219 4.052 858 1HG MET 109 2HG MET 109 -22.608 -1.608 4.761 859 2HG MET 109 1HG MET 109 -23.366 -3.087 4.172 860 1HE MET 109 1HE MET 109 -23.979 -4.836 5.191 861 2HE MET 109 2HE MET 109 -24.318 -4.925 6.919 862 3HE MET 109 3HE MET 109 -22.857 -5.669 6.267 Start of MODEL 13 1 1H MET -8 1HT MET -8 3.547 -25.374 -11.072 2 2H MET -8 2HT MET -8 2.388 -24.301 -11.745 3 3H MET -8 3HT MET -8 1.933 -25.381 -10.492 4 HA MET -8 HA MET -8 3.623 -22.993 -10.362 5 1HB MET -8 2HB MET -8 0.953 -23.413 -9.970 6 2HB MET -8 1HB MET -8 1.574 -23.636 -8.340 7 1HG MET -8 2HG MET -8 2.820 -21.398 -8.812 8 2HG MET -8 1HG MET -8 1.589 -21.202 -10.057 9 1HE MET -8 1HE MET -8 0.787 -19.020 -6.700 10 2HE MET -8 2HE MET -8 1.139 -18.824 -8.418 11 3HE MET -8 3HE MET -8 2.357 -19.509 -7.341 12 H GLY -7 H GLY -7 4.199 -22.563 -7.959 13 1HA GLY -7 2HA GLY -7 4.613 -24.609 -6.121 14 2HA GLY -7 1HA GLY -7 6.031 -24.570 -7.158 15 H HIS -6 H HIS -6 7.541 -23.784 -5.787 16 HA HIS -6 HA HIS -6 7.052 -21.690 -3.929 17 1HB HIS -6 2HB HIS -6 9.095 -23.538 -4.390 18 2HB HIS -6 1HB HIS -6 9.849 -21.970 -4.653 19 HD1 HIS -6 1HD HIS -6 10.900 -21.123 -2.595 20 HD2 HIS -6 2HD HIS -6 7.494 -23.353 -1.767 21 HE1 HIS -6 1HE HIS -6 10.681 -21.109 -0.091 22 HE2 HIS -6 2HE HIS -6 8.663 -22.538 0.391 23 H HIS -5 H HIS -5 8.310 -19.627 -3.929 24 HA HIS -5 HA HIS -5 8.139 -18.404 -6.590 25 1HB HIS -5 2HB HIS -5 8.175 -17.157 -3.833 26 2HB HIS -5 1HB HIS -5 8.110 -16.247 -5.340 27 HD1 HIS -5 1HD HIS -5 6.088 -19.212 -4.050 28 HD2 HIS -5 2HD HIS -5 5.566 -15.419 -5.663 29 HE1 HIS -5 1HE HIS -5 3.601 -18.904 -4.251 30 HE2 HIS -5 2HE HIS -5 3.307 -16.567 -5.145 31 H HIS -4 H HIS -4 10.257 -18.547 -3.742 32 HA HIS -4 HA HIS -4 12.498 -18.253 -3.491 33 1HB HIS -4 2HB HIS -4 12.170 -19.681 -5.869 34 2HB HIS -4 1HB HIS -4 13.307 -18.398 -6.277 35 HD1 HIS -4 1HD HIS -4 15.281 -20.033 -6.481 36 HD2 HIS -4 2HD HIS -4 13.476 -20.033 -2.737 37 HE1 HIS -4 1HE HIS -4 16.848 -21.301 -4.979 38 HE2 HIS -4 2HE HIS -4 15.782 -21.204 -2.699 39 H HIS -3 H HIS -3 10.796 -15.965 -4.004 40 HA HIS -3 HA HIS -3 12.846 -14.018 -4.455 41 1HB HIS -3 2HB HIS -3 10.976 -14.713 -6.621 42 2HB HIS -3 1HB HIS -3 11.083 -12.991 -6.272 43 HD1 HIS -3 1HD HIS -3 13.392 -11.843 -6.679 44 HD2 HIS -3 2HD HIS -3 13.204 -15.823 -7.854 45 HE1 HIS -3 1HE HIS -3 15.417 -12.214 -8.123 46 HE2 HIS -3 2HE HIS -3 15.236 -14.607 -8.891 47 H HIS -2 H HIS -2 12.230 -11.920 -3.809 48 HA HIS -2 HA HIS -2 9.525 -11.374 -3.000 49 1HB HIS -2 2HB HIS -2 11.264 -12.588 -1.119 50 2HB HIS -2 1HB HIS -2 11.085 -10.906 -0.635 51 HD1 HIS -2 1HD HIS -2 9.730 -11.724 1.451 52 HD2 HIS -2 2HD HIS -2 7.962 -12.559 -2.215 53 HE1 HIS -2 1HE HIS -2 7.351 -12.346 1.978 54 HE2 HIS -2 2HE HIS -2 6.325 -12.930 -0.248 55 H HIS -1 H HIS -1 10.230 -9.797 -4.690 56 HA HIS -1 HA HIS -1 11.705 -7.548 -3.487 57 1HB HIS -1 2HB HIS -1 11.928 -6.840 -5.978 58 2HB HIS -1 1HB HIS -1 12.963 -8.122 -5.360 59 HD1 HIS -1 1HD HIS -1 13.190 -9.896 -7.049 60 HD2 HIS -1 2HD HIS -1 9.372 -8.258 -7.057 61 HE1 HIS -1 1HE HIS -1 11.915 -11.169 -8.804 62 HE2 HIS -1 2HE HIS -1 9.582 -10.222 -8.726 63 H MET 0 H MET 0 8.789 -8.547 -5.119 64 HA MET 0 HA MET 0 7.771 -5.792 -5.019 65 1HB MET 0 2HB MET 0 6.967 -8.207 -6.623 66 2HB MET 0 1HB MET 0 5.892 -6.827 -6.445 67 1HG MET 0 2HG MET 0 8.466 -5.878 -7.194 68 2HG MET 0 1HG MET 0 8.011 -7.191 -8.278 69 1HE MET 0 1HE MET 0 6.949 -3.977 -6.575 70 2HE MET 0 2HE MET 0 6.045 -3.099 -7.810 71 3HE MET 0 3HE MET 0 7.783 -3.339 -7.991 72 H GLY 1 H GLY 1 5.199 -5.908 -4.755 73 1HA GLY 1 2HA GLY 1 3.400 -6.982 -3.541 74 2HA GLY 1 1HA GLY 1 4.607 -7.674 -2.469 75 H SER 2 H SER 2 6.083 -5.126 -2.285 76 HA SER 2 HA SER 2 4.472 -3.957 -0.174 77 1HB SER 2 2HB SER 2 7.334 -3.923 -0.947 78 2HB SER 2 1HB SER 2 6.726 -2.470 -0.153 79 HG SER 2 HG SER 2 6.274 -5.064 0.881 80 H ALA 3 H ALA 3 5.711 -3.103 -3.344 81 HA ALA 3 HA ALA 3 4.793 -0.363 -3.133 82 1HB ALA 3 1HB ALA 3 6.859 -1.300 -4.444 83 2HB ALA 3 2HB ALA 3 5.927 0.051 -5.088 84 3HB ALA 3 3HB ALA 3 5.667 -1.576 -5.713 85 H GLY 4 H GLY 4 3.882 -3.319 -4.859 86 1HA GLY 4 2HA GLY 4 1.780 -2.172 -6.366 87 2HA GLY 4 1HA GLY 4 1.982 -3.883 -6.017 88 H THR 5 H THR 5 1.972 -3.209 -3.066 89 HA THR 5 HA THR 5 -0.702 -3.789 -2.537 90 HB THR 5 HB THR 5 0.118 -2.634 -0.205 91 HG1 THR 5 1HG THR 5 2.113 -2.013 -0.984 92 1HG2 THR 5 1HG2 THR 5 1.289 -4.973 0.155 93 2HG2 THR 5 2HG2 THR 5 0.422 -5.353 -1.333 94 3HG2 THR 5 3HG2 THR 5 -0.464 -4.802 0.091 95 H GLN 6 H GLN 6 0.983 -0.695 -1.963 96 HA GLN 6 HA GLN 6 -1.346 0.760 -1.350 97 1HB GLN 6 2HB GLN 6 1.331 1.265 -1.227 98 2HB GLN 6 1HB GLN 6 0.855 2.279 -2.581 99 1HG GLN 6 2HG GLN 6 -0.415 3.657 -1.288 100 2HG GLN 6 1HG GLN 6 -0.777 2.399 -0.106 101 1HE2 GLN 6 1HE2 GLN 6 2.168 3.907 -1.401 102 2HE2 GLN 6 2HE2 GLN 6 2.875 4.247 0.137 103 H GLU 7 H GLU 7 0.256 0.037 -4.376 104 HA GLU 7 HA GLU 7 -1.020 1.948 -5.997 105 1HB GLU 7 2HB GLU 7 0.233 -0.726 -6.577 106 2HB GLU 7 1HB GLU 7 -0.504 0.239 -7.849 107 1HG GLU 7 2HG GLU 7 1.604 1.376 -6.050 108 2HG GLU 7 1HG GLU 7 2.019 0.433 -7.482 109 H GLU 8 H GLU 8 -1.877 -1.429 -5.271 110 HA GLU 8 HA GLU 8 -4.148 -1.536 -6.920 111 1HB GLU 8 2HB GLU 8 -4.774 -3.522 -5.680 112 2HB GLU 8 1HB GLU 8 -3.043 -3.531 -5.983 113 1HG GLU 8 2HG GLU 8 -2.516 -3.350 -3.796 114 2HG GLU 8 1HG GLU 8 -3.928 -2.365 -3.420 115 H LEU 9 H LEU 9 -3.683 -0.308 -3.680 116 HA LEU 9 HA LEU 9 -6.409 -0.186 -2.934 117 1HB LEU 9 2HB LEU 9 -4.094 1.517 -2.009 118 2HB LEU 9 1HB LEU 9 -5.656 1.410 -1.217 119 HG LEU 9 HG LEU 9 -3.896 -1.001 -1.590 120 1HD1 LEU 9 1HD1 LEU 9 -3.031 1.129 -0.195 121 2HD1 LEU 9 2HD1 LEU 9 -2.663 -0.541 0.238 122 3HD1 LEU 9 3HD1 LEU 9 -3.980 0.310 1.046 123 1HD2 LEU 9 1HD2 LEU 9 -5.981 -1.771 -1.011 124 2HD2 LEU 9 2HD2 LEU 9 -6.366 -0.339 -0.058 125 3HD2 LEU 9 3HD2 LEU 9 -5.252 -1.548 0.579 126 H LEU 10 H LEU 10 -4.217 2.252 -4.310 127 HA LEU 10 HA LEU 10 -6.105 4.336 -4.434 128 1HB LEU 10 2HB LEU 10 -3.684 4.689 -4.600 129 2HB LEU 10 1HB LEU 10 -3.665 3.864 -6.147 130 HG LEU 10 HG LEU 10 -5.438 5.765 -6.747 131 1HD1 LEU 10 1HD1 LEU 10 -5.357 7.660 -5.531 132 2HD1 LEU 10 2HD1 LEU 10 -3.653 7.459 -5.126 133 3HD1 LEU 10 3HD1 LEU 10 -4.883 6.558 -4.239 134 1HD2 LEU 10 1HD2 LEU 10 -3.788 6.693 -8.029 135 2HD2 LEU 10 2HD2 LEU 10 -3.018 5.165 -7.603 136 3HD2 LEU 10 3HD2 LEU 10 -2.595 6.639 -6.731 137 H ARG 11 H ARG 11 -5.229 1.799 -6.718 138 HA ARG 11 HA ARG 11 -6.626 2.736 -8.953 139 1HB ARG 11 2HB ARG 11 -5.817 -0.014 -8.047 140 2HB ARG 11 1HB ARG 11 -6.731 0.220 -9.531 141 1HG ARG 11 2HG ARG 11 -4.455 1.997 -9.398 142 2HG ARG 11 1HG ARG 11 -3.977 0.306 -9.235 143 1HD ARG 11 2HD ARG 11 -5.031 -0.266 -11.296 144 2HD ARG 11 1HD ARG 11 -5.796 1.318 -11.411 145 HE ARG 11 HE ARG 11 -3.105 0.631 -12.153 146 1HH1 ARG 11 1HH1 ARG 11 -5.229 3.221 -11.174 147 2HH1 ARG 11 2HH1 ARG 11 -4.256 4.460 -11.893 148 1HH2 ARG 11 1HH2 ARG 11 -1.823 2.258 -13.100 149 2HH2 ARG 11 2HH2 ARG 11 -2.321 3.913 -12.986 150 H TRP 12 H TRP 12 -7.686 0.720 -6.248 151 HA TRP 12 HA TRP 12 -10.268 0.170 -7.271 152 1HB TRP 12 2HB TRP 12 -9.175 -1.153 -5.479 153 2HB TRP 12 1HB TRP 12 -9.361 0.215 -4.386 154 HD1 TRP 12 HD TRP 12 -11.464 -2.419 -6.244 155 HE1 TRP 12 1HE TRP 12 -13.727 -2.644 -5.038 156 HE3 TRP 12 3HE TRP 12 -10.968 1.388 -2.866 157 HZ2 TRP 12 2HZ TRP 12 -15.117 -1.377 -2.933 158 HZ3 TRP 12 3HZ TRP 12 -12.810 1.815 -1.293 159 HH2 TRP 12 HH TRP 12 -14.840 0.461 -1.326 160 H CYS 13 H CYS 13 -8.967 2.751 -5.266 161 HA CYS 13 HA CYS 13 -11.466 3.879 -4.541 162 1HB CYS 13 2HB CYS 13 -8.619 4.695 -4.382 163 2HB CYS 13 1HB CYS 13 -9.813 5.989 -4.321 164 HG CYS 13 HG CYS 13 -10.819 4.825 -2.185 165 H GLN 14 H GLN 14 -9.139 4.654 -7.119 166 HA GLN 14 HA GLN 14 -10.602 6.850 -8.138 167 1HB GLN 14 2HB GLN 14 -9.166 6.616 -10.136 168 2HB GLN 14 1HB GLN 14 -8.248 6.613 -8.636 169 1HG GLN 14 2HG GLN 14 -7.638 4.426 -8.850 170 2HG GLN 14 1HG GLN 14 -9.064 4.002 -9.793 171 1HE2 GLN 14 1HE2 GLN 14 -7.935 2.996 -11.416 172 2HE2 GLN 14 2HE2 GLN 14 -6.931 3.849 -12.534 173 H GLU 15 H GLU 15 -10.673 3.402 -8.811 174 HA GLU 15 HA GLU 15 -12.255 3.536 -11.153 175 1HB GLU 15 2HB GLU 15 -11.092 1.504 -9.525 176 2HB GLU 15 1HB GLU 15 -12.790 1.108 -9.757 177 1HG GLU 15 2HG GLU 15 -12.555 0.790 -11.999 178 2HG GLU 15 1HG GLU 15 -11.212 1.923 -12.132 179 H GLN 16 H GLN 16 -13.077 3.057 -7.737 180 HA GLN 16 HA GLN 16 -15.854 2.748 -8.120 181 1HB GLN 16 2HB GLN 16 -14.332 3.717 -5.695 182 2HB GLN 16 1HB GLN 16 -16.026 3.243 -5.698 183 1HG GLN 16 2HG GLN 16 -14.179 1.240 -6.786 184 2HG GLN 16 1HG GLN 16 -13.967 1.606 -5.074 185 1HE2 GLN 16 1HE2 GLN 16 -15.635 -0.230 -7.287 186 2HE2 GLN 16 2HE2 GLN 16 -16.932 -0.761 -6.277 187 H THR 17 H THR 17 -13.819 5.580 -7.707 188 HA THR 17 HA THR 17 -16.105 7.351 -7.487 189 HB THR 17 HB THR 17 -14.005 7.763 -6.218 190 HG1 THR 17 1HG THR 17 -14.973 9.687 -8.034 191 1HG2 THR 17 1HG2 THR 17 -12.028 8.504 -7.191 192 2HG2 THR 17 2HG2 THR 17 -12.780 8.726 -8.772 193 3HG2 THR 17 3HG2 THR 17 -12.492 7.100 -8.152 194 H ALA 18 H ALA 18 -15.006 5.728 -10.018 195 HA ALA 18 HA ALA 18 -14.783 7.886 -11.936 196 1HB ALA 18 1HB ALA 18 -14.732 4.889 -12.215 197 2HB ALA 18 2HB ALA 18 -13.381 6.014 -12.348 198 3HB ALA 18 3HB ALA 18 -14.635 5.993 -13.587 199 H GLY 19 H GLY 19 -16.430 8.769 -13.003 200 1HA GLY 19 2HA GLY 19 -18.458 7.870 -14.384 201 2HA GLY 19 1HA GLY 19 -19.069 7.507 -12.776 202 H TYR 20 H TYR 20 -17.637 10.006 -11.792 203 HA TYR 20 HA TYR 20 -19.872 11.777 -12.216 204 1HB TYR 20 2HB TYR 20 -17.331 12.253 -10.646 205 2HB TYR 20 1HB TYR 20 -18.810 13.202 -10.552 206 HD1 TYR 20 1HD TYR 20 -20.574 12.557 -9.119 207 HD2 TYR 20 2HD TYR 20 -17.368 9.861 -9.852 208 HE1 TYR 20 1HE TYR 20 -21.402 11.096 -7.325 209 HE2 TYR 20 2HE TYR 20 -18.187 8.391 -8.059 210 HH TYR 20 HH TYR 20 -20.385 7.936 -6.911 211 HA PRO 21 HA PRO 21 -18.021 14.077 -15.524 212 1HB PRO 21 2HB PRO 21 -19.540 16.312 -15.417 213 2HB PRO 21 1HB PRO 21 -20.161 14.769 -16.016 214 1HG PRO 21 2HG PRO 21 -20.502 16.030 -13.323 215 2HG PRO 21 1HG PRO 21 -21.705 15.203 -14.332 216 1HD PRO 21 2HD PRO 21 -20.463 14.004 -12.234 217 2HD PRO 21 1HD PRO 21 -21.008 13.114 -13.670 218 H GLY 22 H GLY 22 -16.248 14.143 -13.575 219 1HA GLY 22 2HA GLY 22 -14.678 16.265 -13.784 220 2HA GLY 22 1HA GLY 22 -15.867 16.881 -12.644 221 H VAL 23 H VAL 23 -14.622 13.582 -12.839 222 HA VAL 23 HA VAL 23 -13.497 13.948 -10.144 223 HB VAL 23 HB VAL 23 -15.395 12.385 -10.204 224 1HG1 VAL 23 1HG1 VAL 23 -14.970 11.641 -12.569 225 2HG1 VAL 23 2HG1 VAL 23 -15.360 10.351 -11.430 226 3HG1 VAL 23 3HG1 VAL 23 -13.690 10.607 -11.936 227 1HG2 VAL 23 1HG2 VAL 23 -13.764 10.298 -9.518 228 2HG2 VAL 23 2HG2 VAL 23 -14.213 11.634 -8.457 229 3HG2 VAL 23 3HG2 VAL 23 -12.690 11.686 -9.343 230 H HIS 24 H HIS 24 -11.377 13.873 -10.020 231 HA HIS 24 HA HIS 24 -9.877 12.063 -11.762 232 1HB HIS 24 2HB HIS 24 -9.153 14.976 -11.369 233 2HB HIS 24 1HB HIS 24 -8.221 13.791 -12.281 234 HD1 HIS 24 1HD HIS 24 -9.299 12.949 -14.545 235 HD2 HIS 24 2HD HIS 24 -11.217 16.168 -12.748 236 HE1 HIS 24 1HE HIS 24 -10.794 13.918 -16.321 237 HE2 HIS 24 2HE HIS 24 -12.010 15.809 -15.184 238 H VAL 25 H VAL 25 -9.365 10.730 -10.065 239 HA VAL 25 HA VAL 25 -7.813 11.932 -7.867 240 HB VAL 25 HB VAL 25 -9.217 9.261 -7.812 241 1HG1 VAL 25 1HG1 VAL 25 -7.223 9.774 -6.284 242 2HG1 VAL 25 2HG1 VAL 25 -8.703 9.173 -5.534 243 3HG1 VAL 25 3HG1 VAL 25 -8.312 10.892 -5.464 244 1HG2 VAL 25 1HG2 VAL 25 -11.083 10.535 -7.784 245 2HG2 VAL 25 2HG2 VAL 25 -10.214 11.990 -7.298 246 3HG2 VAL 25 3HG2 VAL 25 -10.634 10.771 -6.096 247 H SER 26 H SER 26 -5.709 11.715 -8.268 248 HA SER 26 HA SER 26 -4.644 9.056 -8.742 249 1HB SER 26 2HB SER 26 -4.916 9.826 -11.018 250 2HB SER 26 1HB SER 26 -4.135 11.361 -10.636 251 HG SER 26 HG SER 26 -2.858 8.842 -10.383 252 H ASP 27 H ASP 27 -4.638 11.235 -6.664 253 HA ASP 27 HA ASP 27 -1.742 11.237 -6.238 254 1HB ASP 27 2HB ASP 27 -2.975 13.512 -7.071 255 2HB ASP 27 1HB ASP 27 -3.110 13.685 -5.324 256 H LEU 28 H LEU 28 -1.154 11.686 -3.979 257 HA LEU 28 HA LEU 28 -3.209 10.631 -2.157 258 1HB LEU 28 2HB LEU 28 -0.206 10.581 -1.864 259 2HB LEU 28 1HB LEU 28 -1.358 9.864 -0.755 260 HG LEU 28 HG LEU 28 -1.835 8.826 -3.383 261 1HD1 LEU 28 1HD1 LEU 28 0.871 7.989 -2.529 262 2HD1 LEU 28 2HD1 LEU 28 0.732 9.546 -3.345 263 3HD1 LEU 28 3HD1 LEU 28 0.164 8.080 -4.143 264 1HD2 LEU 28 1HD2 LEU 28 -0.570 7.132 -1.334 265 2HD2 LEU 28 2HD2 LEU 28 -2.063 6.897 -2.242 266 3HD2 LEU 28 3HD2 LEU 28 -2.044 7.961 -0.837 267 H SER 29 H SER 29 -3.325 13.337 -2.720 268 HA SER 29 HA SER 29 -3.119 14.442 -0.102 269 1HB SER 29 2HB SER 29 -1.183 15.405 -2.213 270 2HB SER 29 1HB SER 29 -1.591 16.343 -0.777 271 HG SER 29 HG SER 29 -0.128 15.208 0.193 272 H SER 30 H SER 30 -2.759 16.118 -3.206 273 HA SER 30 HA SER 30 -4.893 17.893 -2.683 274 1HB SER 30 2HB SER 30 -3.341 17.234 -5.183 275 2HB SER 30 1HB SER 30 -4.640 18.427 -5.176 276 HG SER 30 HG SER 30 -2.402 18.504 -3.436 277 H SER 31 H SER 31 -4.679 14.865 -4.436 278 HA SER 31 HA SER 31 -7.065 14.915 -5.847 279 1HB SER 31 2HB SER 31 -5.236 12.827 -4.860 280 2HB SER 31 1HB SER 31 -6.886 12.282 -5.153 281 HG SER 31 HG SER 31 -6.605 13.417 -7.261 282 H TRP 32 H TRP 32 -6.540 14.588 -2.443 283 HA TRP 32 HA TRP 32 -9.364 13.864 -2.047 284 1HB TRP 32 2HB TRP 32 -7.137 13.746 -0.008 285 2HB TRP 32 1HB TRP 32 -8.760 13.082 0.150 286 HD1 TRP 32 HD TRP 32 -5.506 12.493 -1.848 287 HE1 TRP 32 1HE TRP 32 -5.428 10.014 -2.537 288 HE3 TRP 32 3HE TRP 32 -10.113 11.040 -0.175 289 HZ2 TRP 32 2HZ TRP 32 -7.099 7.743 -2.389 290 HZ3 TRP 32 3HZ TRP 32 -10.797 8.698 -0.487 291 HH2 TRP 32 HH TRP 32 -9.320 7.084 -1.572 292 H ALA 33 H ALA 33 -7.708 16.579 -2.360 293 HA ALA 33 HA ALA 33 -8.013 18.096 -0.070 294 1HB ALA 33 1HB ALA 33 -7.923 18.742 -2.972 295 2HB ALA 33 2HB ALA 33 -6.808 19.185 -1.680 296 3HB ALA 33 3HB ALA 33 -8.357 20.014 -1.830 297 H ASP 34 H ASP 34 -10.287 18.061 -2.830 298 HA ASP 34 HA ASP 34 -12.324 19.352 -1.258 299 1HB ASP 34 2HB ASP 34 -13.727 19.002 -3.323 300 2HB ASP 34 1HB ASP 34 -12.248 19.923 -3.576 301 H GLY 35 H GLY 35 -11.258 16.218 -1.323 302 1HA GLY 35 2HA GLY 35 -12.137 14.277 -0.474 303 2HA GLY 35 1HA GLY 35 -13.456 15.245 0.161 304 H LEU 36 H LEU 36 -12.580 14.942 -3.235 305 HA LEU 36 HA LEU 36 -15.241 14.374 -4.015 306 1HB LEU 36 2HB LEU 36 -12.725 14.918 -5.286 307 2HB LEU 36 1HB LEU 36 -13.485 13.549 -6.070 308 HG LEU 36 HG LEU 36 -15.284 15.826 -5.598 309 1HD1 LEU 36 1HD1 LEU 36 -13.803 17.375 -6.267 310 2HD1 LEU 36 2HD1 LEU 36 -14.121 16.719 -7.872 311 3HD1 LEU 36 3HD1 LEU 36 -12.708 16.181 -6.963 312 1HD2 LEU 36 1HD2 LEU 36 -16.313 15.043 -7.454 313 2HD2 LEU 36 2HD2 LEU 36 -15.419 13.578 -7.049 314 3HD2 LEU 36 3HD2 LEU 36 -14.796 14.681 -8.277 315 H ALA 37 H ALA 37 -12.387 12.351 -3.537 316 HA ALA 37 HA ALA 37 -13.458 9.967 -4.590 317 1HB ALA 37 1HB ALA 37 -11.623 8.849 -3.538 318 2HB ALA 37 2HB ALA 37 -11.378 10.191 -2.421 319 3HB ALA 37 3HB ALA 37 -11.044 10.403 -4.140 320 H LEU 38 H LEU 38 -13.320 11.196 -1.254 321 HA LEU 38 HA LEU 38 -14.531 8.982 -0.030 322 1HB LEU 38 2HB LEU 38 -13.836 11.718 0.702 323 2HB LEU 38 1HB LEU 38 -15.283 11.150 1.513 324 HG LEU 38 HG LEU 38 -14.070 9.261 2.442 325 1HD1 LEU 38 1HD1 LEU 38 -12.514 8.766 0.705 326 2HD1 LEU 38 2HD1 LEU 38 -11.591 9.164 2.154 327 3HD1 LEU 38 3HD1 LEU 38 -11.753 10.349 0.858 328 1HD2 LEU 38 1HD2 LEU 38 -13.148 12.041 2.868 329 2HD2 LEU 38 2HD2 LEU 38 -12.183 10.754 3.592 330 3HD2 LEU 38 3HD2 LEU 38 -13.894 10.906 3.992 331 H CYS 39 H CYS 39 -15.942 11.997 -1.267 332 HA CYS 39 HA CYS 39 -18.602 11.384 -0.513 333 1HB CYS 39 2HB CYS 39 -17.638 13.225 -2.711 334 2HB CYS 39 1HB CYS 39 -19.247 13.221 -1.997 335 HG CYS 39 HG CYS 39 -18.345 14.320 0.090 336 H ALA 40 H ALA 40 -16.787 10.927 -3.516 337 HA ALA 40 HA ALA 40 -18.874 10.037 -5.140 338 1HB ALA 40 1HB ALA 40 -17.062 10.347 -6.442 339 2HB ALA 40 2HB ALA 40 -16.789 8.634 -6.126 340 3HB ALA 40 3HB ALA 40 -15.934 9.852 -5.178 341 H LEU 41 H LEU 41 -16.671 8.164 -3.066 342 HA LEU 41 HA LEU 41 -17.660 5.622 -3.694 343 1HB LEU 41 2HB LEU 41 -16.420 6.624 -1.131 344 2HB LEU 41 1HB LEU 41 -16.691 4.934 -1.508 345 HG LEU 41 HG LEU 41 -15.026 6.648 -3.320 346 1HD1 LEU 41 1HD1 LEU 41 -14.331 5.605 -0.638 347 2HD1 LEU 41 2HD1 LEU 41 -13.733 7.027 -1.494 348 3HD1 LEU 41 3HD1 LEU 41 -13.130 5.424 -1.918 349 1HD2 LEU 41 1HD2 LEU 41 -15.753 4.448 -4.113 350 2HD2 LEU 41 2HD2 LEU 41 -15.026 3.698 -2.692 351 3HD2 LEU 41 3HD2 LEU 41 -14.005 4.509 -3.881 352 H VAL 42 H VAL 42 -18.493 7.749 -0.955 353 HA VAL 42 HA VAL 42 -20.449 6.111 0.182 354 HB VAL 42 HB VAL 42 -20.471 9.131 0.187 355 1HG1 VAL 42 1HG1 VAL 42 -22.503 8.280 1.079 356 2HG1 VAL 42 2HG1 VAL 42 -21.504 8.758 2.449 357 3HG1 VAL 42 3HG1 VAL 42 -21.654 7.055 2.019 358 1HG2 VAL 42 1HG2 VAL 42 -18.380 7.543 1.019 359 2HG2 VAL 42 2HG2 VAL 42 -19.294 7.811 2.503 360 3HG2 VAL 42 3HG2 VAL 42 -18.711 9.186 1.565 361 H TYR 43 H TYR 43 -20.710 8.604 -2.316 362 HA TYR 43 HA TYR 43 -23.504 8.614 -2.555 363 1HB TYR 43 2HB TYR 43 -22.085 10.351 -3.540 364 2HB TYR 43 1HB TYR 43 -21.409 9.177 -4.664 365 HD1 TYR 43 1HD TYR 43 -24.389 11.149 -3.809 366 HD2 TYR 43 2HD TYR 43 -22.646 8.458 -6.604 367 HE1 TYR 43 1HE TYR 43 -26.181 11.664 -5.414 368 HE2 TYR 43 2HE TYR 43 -24.432 8.966 -8.217 369 HH TYR 43 HH TYR 43 -26.029 10.860 -8.661 370 H ARG 44 H ARG 44 -21.037 6.579 -4.037 371 HA ARG 44 HA ARG 44 -22.683 5.298 -5.923 372 1HB ARG 44 2HB ARG 44 -20.026 5.236 -5.346 373 2HB ARG 44 1HB ARG 44 -20.534 3.673 -4.721 374 1HG ARG 44 2HG ARG 44 -21.561 3.191 -6.932 375 2HG ARG 44 1HG ARG 44 -20.868 4.698 -7.530 376 1HD ARG 44 2HD ARG 44 -18.995 3.598 -7.995 377 2HD ARG 44 1HD ARG 44 -18.771 3.321 -6.269 378 HE ARG 44 HE ARG 44 -19.234 1.131 -6.657 379 1HH1 ARG 44 1HH1 ARG 44 -20.775 3.012 -9.160 380 2HH1 ARG 44 2HH1 ARG 44 -21.377 1.626 -10.004 381 1HH2 ARG 44 1HH2 ARG 44 -20.024 -0.694 -7.767 382 2HH2 ARG 44 2HH2 ARG 44 -20.950 -0.478 -9.215 383 H LEU 45 H LEU 45 -21.948 4.558 -2.546 384 HA LEU 45 HA LEU 45 -23.481 2.122 -2.562 385 1HB LEU 45 2HB LEU 45 -21.992 3.697 -0.512 386 2HB LEU 45 1HB LEU 45 -23.180 2.529 0.032 387 HG LEU 45 HG LEU 45 -20.854 1.652 -0.024 388 1HD1 LEU 45 1HD1 LEU 45 -23.150 0.376 -0.590 389 2HD1 LEU 45 2HD1 LEU 45 -21.584 -0.429 -0.491 390 3HD1 LEU 45 3HD1 LEU 45 -22.240 0.036 -2.062 391 1HD2 LEU 45 1HD2 LEU 45 -19.761 1.205 -2.101 392 2HD2 LEU 45 2HD2 LEU 45 -20.182 2.917 -2.066 393 3HD2 LEU 45 3HD2 LEU 45 -21.149 1.791 -3.018 394 H GLN 46 H GLN 46 -23.981 5.461 -1.594 395 HA GLN 46 HA GLN 46 -26.851 4.952 -1.427 396 1HB GLN 46 2HB GLN 46 -25.116 5.704 0.835 397 2HB GLN 46 1HB GLN 46 -26.563 6.689 0.655 398 1HG GLN 46 2HG GLN 46 -27.984 4.827 0.904 399 2HG GLN 46 1HG GLN 46 -26.653 3.689 0.701 400 1HE2 GLN 46 1HE2 GLN 46 -28.669 4.982 2.902 401 2HE2 GLN 46 2HE2 GLN 46 -27.712 4.813 4.330 402 HA PRO 47 HA PRO 47 -25.708 8.805 -3.769 403 1HB PRO 47 2HB PRO 47 -27.473 8.374 -5.795 404 2HB PRO 47 1HB PRO 47 -25.830 7.723 -5.786 405 1HG PRO 47 2HG PRO 47 -28.406 6.378 -5.062 406 2HG PRO 47 1HG PRO 47 -27.047 5.754 -6.016 407 1HD PRO 47 2HD PRO 47 -27.411 5.094 -3.423 408 2HD PRO 47 1HD PRO 47 -25.795 5.257 -4.141 409 H GLY 48 H GLY 48 -28.748 7.381 -2.766 410 1HA GLY 48 2HA GLY 48 -30.339 9.714 -3.184 411 2HA GLY 48 1HA GLY 48 -30.779 8.317 -2.212 412 H LEU 49 H LEU 49 -28.322 8.586 -0.568 413 HA LEU 49 HA LEU 49 -29.233 10.858 1.072 414 1HB LEU 49 2HB LEU 49 -28.271 8.126 1.741 415 2HB LEU 49 1HB LEU 49 -27.865 9.422 2.851 416 HG LEU 49 HG LEU 49 -30.706 9.213 2.021 417 1HD1 LEU 49 1HD1 LEU 49 -29.663 7.397 4.165 418 2HD1 LEU 49 2HD1 LEU 49 -29.812 6.857 2.492 419 3HD1 LEU 49 3HD1 LEU 49 -31.240 7.394 3.376 420 1HD2 LEU 49 1HD2 LEU 49 -31.084 10.347 3.935 421 2HD2 LEU 49 2HD2 LEU 49 -29.380 10.773 3.766 422 3HD2 LEU 49 3HD2 LEU 49 -29.859 9.453 4.835 423 H LEU 50 H LEU 50 -27.364 11.173 -1.069 424 HA LEU 50 HA LEU 50 -25.167 12.317 0.454 425 1HB LEU 50 2HB LEU 50 -24.881 9.880 -0.979 426 2HB LEU 50 1HB LEU 50 -24.002 11.113 -1.861 427 HG LEU 50 HG LEU 50 -22.608 9.863 -0.230 428 1HD1 LEU 50 1HD1 LEU 50 -22.268 12.307 -0.963 429 2HD1 LEU 50 2HD1 LEU 50 -21.369 11.711 0.431 430 3HD1 LEU 50 3HD1 LEU 50 -22.801 12.711 0.668 431 1HD2 LEU 50 1HD2 LEU 50 -24.432 9.612 1.466 432 2HD2 LEU 50 2HD2 LEU 50 -24.197 11.311 1.879 433 3HD2 LEU 50 3HD2 LEU 50 -22.886 10.155 2.119 434 H GLU 51 H GLU 51 -23.782 13.727 -0.926 435 HA GLU 51 HA GLU 51 -24.922 14.601 -3.441 436 1HB GLU 51 2HB GLU 51 -24.738 16.507 -1.098 437 2HB GLU 51 1HB GLU 51 -25.222 16.923 -2.736 438 1HG GLU 51 2HG GLU 51 -27.163 15.418 -2.509 439 2HG GLU 51 1HG GLU 51 -26.694 15.112 -0.838 440 HA PRO 52 HA PRO 52 -20.232 14.785 -2.869 441 1HB PRO 52 2HB PRO 52 -19.796 13.645 -5.353 442 2HB PRO 52 1HB PRO 52 -19.822 12.757 -3.827 443 1HG PRO 52 2HG PRO 52 -21.988 13.092 -5.863 444 2HG PRO 52 1HG PRO 52 -21.525 11.647 -4.944 445 1HD PRO 52 2HD PRO 52 -23.667 13.093 -4.257 446 2HD PRO 52 1HD PRO 52 -22.614 12.372 -3.020 447 H SER 53 H SER 53 -22.503 15.657 -5.385 448 HA SER 53 HA SER 53 -20.769 17.229 -6.957 449 1HB SER 53 2HB SER 53 -23.192 16.375 -7.446 450 2HB SER 53 1HB SER 53 -23.685 17.882 -6.672 451 HG SER 53 HG SER 53 -21.809 17.787 -8.790 452 H GLU 54 H GLU 54 -22.829 17.982 -4.197 453 HA GLU 54 HA GLU 54 -22.314 20.785 -4.243 454 1HB GLU 54 2HB GLU 54 -23.518 18.895 -2.247 455 2HB GLU 54 1HB GLU 54 -23.167 20.556 -1.794 456 1HG GLU 54 2HG GLU 54 -24.602 20.363 -4.310 457 2HG GLU 54 1HG GLU 54 -25.479 19.638 -2.964 458 H LEU 55 H LEU 55 -21.091 18.124 -2.217 459 HA LEU 55 HA LEU 55 -19.303 19.704 -0.713 460 1HB LEU 55 2HB LEU 55 -19.015 16.769 -1.330 461 2HB LEU 55 1HB LEU 55 -18.353 17.635 0.044 462 HG LEU 55 HG LEU 55 -21.316 17.355 -0.415 463 1HD1 LEU 55 1HD1 LEU 55 -20.141 15.142 -0.205 464 2HD1 LEU 55 2HD1 LEU 55 -21.354 15.478 1.030 465 3HD1 LEU 55 3HD1 LEU 55 -19.640 15.649 1.408 466 1HD2 LEU 55 1HD2 LEU 55 -21.216 18.963 1.163 467 2HD2 LEU 55 2HD2 LEU 55 -19.577 18.534 1.653 468 3HD2 LEU 55 3HD2 LEU 55 -20.950 17.593 2.241 469 H GLN 56 H GLN 56 -19.172 18.676 -3.936 470 HA GLN 56 HA GLN 56 -16.419 18.279 -4.290 471 1HB GLN 56 2HB GLN 56 -18.640 18.096 -5.872 472 2HB GLN 56 1HB GLN 56 -17.843 19.511 -6.542 473 1HG GLN 56 2HG GLN 56 -15.810 17.647 -6.216 474 2HG GLN 56 1HG GLN 56 -17.184 16.719 -6.818 475 1HE2 GLN 56 1HE2 GLN 56 -16.691 16.378 -8.887 476 2HE2 GLN 56 2HE2 GLN 56 -16.327 17.611 -10.041 477 H GLY 57 H GLY 57 -18.387 21.205 -4.438 478 1HA GLY 57 2HA GLY 57 -15.887 22.743 -4.764 479 2HA GLY 57 1HA GLY 57 -17.458 23.289 -5.333 480 H LEU 58 H LEU 58 -18.292 21.991 -2.527 481 HA LEU 58 HA LEU 58 -18.716 24.407 -1.203 482 1HB LEU 58 2HB LEU 58 -19.000 21.565 -0.592 483 2HB LEU 58 1HB LEU 58 -18.660 22.539 0.823 484 HG LEU 58 HG LEU 58 -20.710 23.791 -0.769 485 1HD1 LEU 58 1HD1 LEU 58 -21.777 21.987 -1.542 486 2HD1 LEU 58 2HD1 LEU 58 -22.280 21.743 0.131 487 3HD1 LEU 58 3HD1 LEU 58 -20.873 20.888 -0.502 488 1HD2 LEU 58 1HD2 LEU 58 -20.596 24.445 1.443 489 2HD2 LEU 58 2HD2 LEU 58 -20.370 22.797 2.028 490 3HD2 LEU 58 3HD2 LEU 58 -21.956 23.321 1.461 491 H GLY 59 H GLY 59 -15.962 22.263 -1.213 492 1HA GLY 59 2HA GLY 59 -13.927 23.754 -0.609 493 2HA GLY 59 1HA GLY 59 -14.720 23.818 0.956 494 H ALA 60 H ALA 60 -12.259 22.923 1.049 495 HA ALA 60 HA ALA 60 -12.050 20.088 0.647 496 1HB ALA 60 1HB ALA 60 -10.282 22.266 1.376 497 2HB ALA 60 2HB ALA 60 -9.921 20.739 0.573 498 3HB ALA 60 3HB ALA 60 -9.982 20.817 2.335 499 H LEU 61 H LEU 61 -11.807 22.073 3.607 500 HA LEU 61 HA LEU 61 -12.111 19.910 5.379 501 1HB LEU 61 2HB LEU 61 -11.388 22.483 5.671 502 2HB LEU 61 1HB LEU 61 -13.040 22.587 6.248 503 HG LEU 61 HG LEU 61 -11.607 22.261 8.137 504 1HD1 LEU 61 1HD1 LEU 61 -12.864 19.588 7.557 505 2HD1 LEU 61 2HD1 LEU 61 -13.784 21.017 8.029 506 3HD1 LEU 61 3HD1 LEU 61 -12.585 20.337 9.129 507 1HD2 LEU 61 1HD2 LEU 61 -9.619 21.376 7.367 508 2HD2 LEU 61 2HD2 LEU 61 -10.420 20.100 6.451 509 3HD2 LEU 61 3HD2 LEU 61 -10.329 19.998 8.210 510 H GLU 62 H GLU 62 -14.445 22.107 3.917 511 HA GLU 62 HA GLU 62 -16.672 21.336 5.470 512 1HB GLU 62 2HB GLU 62 -16.229 23.285 3.650 513 2HB GLU 62 1HB GLU 62 -17.161 22.161 2.672 514 1HG GLU 62 2HG GLU 62 -18.650 23.752 3.648 515 2HG GLU 62 1HG GLU 62 -18.924 22.183 4.405 516 H ALA 63 H ALA 63 -15.514 20.245 2.290 517 HA ALA 63 HA ALA 63 -17.605 18.381 1.865 518 1HB ALA 63 1HB ALA 63 -16.064 19.366 0.125 519 2HB ALA 63 2HB ALA 63 -16.368 17.634 -0.006 520 3HB ALA 63 3HB ALA 63 -14.848 18.215 0.676 521 H THR 64 H THR 64 -14.320 18.058 3.157 522 HA THR 64 HA THR 64 -14.409 15.248 3.483 523 HB THR 64 HB THR 64 -12.723 17.210 5.042 524 HG1 THR 64 1HG THR 64 -12.390 17.620 2.884 525 1HG2 THR 64 1HG2 THR 64 -11.106 15.144 4.578 526 2HG2 THR 64 2HG2 THR 64 -12.644 14.289 4.662 527 3HG2 THR 64 3HG2 THR 64 -12.109 15.278 6.021 528 H ALA 65 H ALA 65 -14.852 17.910 5.806 529 HA ALA 65 HA ALA 65 -15.396 16.309 8.042 530 1HB ALA 65 1HB ALA 65 -14.860 18.801 7.955 531 2HB ALA 65 2HB ALA 65 -16.057 18.271 9.136 532 3HB ALA 65 3HB ALA 65 -16.578 19.038 7.635 533 H TRP 66 H TRP 66 -17.576 17.750 5.642 534 HA TRP 66 HA TRP 66 -19.975 16.912 6.887 535 1HB TRP 66 2HB TRP 66 -19.669 18.693 5.069 536 2HB TRP 66 1HB TRP 66 -19.652 17.355 3.924 537 HD1 TRP 66 HD TRP 66 -21.987 19.424 6.065 538 HE1 TRP 66 1HE TRP 66 -24.420 18.763 5.547 539 HE3 TRP 66 3HE TRP 66 -21.114 15.287 3.189 540 HZ2 TRP 66 2HZ TRP 66 -25.789 16.757 4.109 541 HZ3 TRP 66 3HZ TRP 66 -23.039 14.054 2.281 542 HH2 TRP 66 HH TRP 66 -25.327 14.775 2.733 543 H ALA 67 H ALA 67 -18.119 15.544 4.177 544 HA ALA 67 HA ALA 67 -19.782 13.337 3.710 545 1HB ALA 67 1HB ALA 67 -17.547 12.346 2.789 546 2HB ALA 67 2HB ALA 67 -16.940 13.979 3.073 547 3HB ALA 67 3HB ALA 67 -18.308 13.722 1.989 548 H LEU 68 H LEU 68 -17.080 13.785 5.931 549 HA LEU 68 HA LEU 68 -16.795 11.086 6.693 550 1HB LEU 68 2HB LEU 68 -15.802 13.678 7.575 551 2HB LEU 68 1HB LEU 68 -16.048 12.569 8.909 552 HG LEU 68 HG LEU 68 -14.604 11.456 6.586 553 1HD1 LEU 68 1HD1 LEU 68 -13.837 13.935 7.092 554 2HD1 LEU 68 2HD1 LEU 68 -12.675 12.655 6.740 555 3HD1 LEU 68 3HD1 LEU 68 -12.976 13.140 8.409 556 1HD2 LEU 68 1HD2 LEU 68 -14.667 9.985 8.343 557 2HD2 LEU 68 2HD2 LEU 68 -14.575 11.260 9.557 558 3HD2 LEU 68 3HD2 LEU 68 -13.132 10.797 8.656 559 H LYS 69 H LYS 69 -18.784 13.713 7.980 560 HA LYS 69 HA LYS 69 -19.732 12.246 10.224 561 1HB LYS 69 2HB LYS 69 -19.736 14.818 9.758 562 2HB LYS 69 1HB LYS 69 -21.282 14.492 8.985 563 1HG LYS 69 2HG LYS 69 -22.255 13.763 10.993 564 2HG LYS 69 1HG LYS 69 -20.688 13.614 11.792 565 1HD LYS 69 2HD LYS 69 -20.707 16.247 11.059 566 2HD LYS 69 1HD LYS 69 -22.408 15.959 11.433 567 1HE LYS 69 2HE LYS 69 -21.539 16.600 13.483 568 2HE LYS 69 1HE LYS 69 -21.501 14.840 13.580 569 1HZ LYS 69 1HZ LYS 69 -19.390 15.222 14.207 570 2HZ LYS 69 2HZ LYS 69 -19.306 16.737 13.458 571 3HZ LYS 69 3HZ LYS 69 -19.102 15.329 12.544 572 H VAL 70 H VAL 70 -21.168 13.003 7.054 573 HA VAL 70 HA VAL 70 -23.560 11.547 7.527 574 HB VAL 70 HB VAL 70 -22.353 12.211 4.838 575 1HG1 VAL 70 1HG1 VAL 70 -24.749 12.243 4.141 576 2HG1 VAL 70 2HG1 VAL 70 -25.166 11.605 5.731 577 3HG1 VAL 70 3HG1 VAL 70 -24.160 10.656 4.636 578 1HG2 VAL 70 1HG2 VAL 70 -22.526 14.343 5.504 579 2HG2 VAL 70 2HG2 VAL 70 -23.527 13.929 6.895 580 3HG2 VAL 70 3HG2 VAL 70 -24.261 14.110 5.302 581 H ALA 71 H ALA 71 -20.573 10.753 5.762 582 HA ALA 71 HA ALA 71 -21.310 8.242 4.817 583 1HB ALA 71 1HB ALA 71 -19.284 9.236 4.040 584 2HB ALA 71 2HB ALA 71 -18.853 7.735 4.860 585 3HB ALA 71 3HB ALA 71 -18.612 9.283 5.671 586 H GLU 72 H GLU 72 -19.884 9.177 7.911 587 HA GLU 72 HA GLU 72 -19.733 6.536 8.958 588 1HB GLU 72 2HB GLU 72 -18.323 8.296 9.855 589 2HB GLU 72 1HB GLU 72 -19.733 9.231 10.330 590 1HG GLU 72 2HG GLU 72 -19.891 6.634 11.505 591 2HG GLU 72 1HG GLU 72 -18.308 7.332 11.839 592 H ASN 73 H ASN 73 -22.130 9.109 9.062 593 HA ASN 73 HA ASN 73 -23.814 7.873 10.987 594 1HB ASN 73 2HB ASN 73 -23.992 10.198 9.157 595 2HB ASN 73 1HB ASN 73 -25.516 9.515 9.714 596 1HD2 ASN 73 1HD2 ASN 73 -24.591 12.093 10.331 597 2HD2 ASN 73 2HD2 ASN 73 -24.330 12.176 12.037 598 H GLU 74 H GLU 74 -23.787 7.920 7.450 599 HA GLU 74 HA GLU 74 -26.197 6.358 7.253 600 1HB GLU 74 2HB GLU 74 -24.185 7.279 5.204 601 2HB GLU 74 1HB GLU 74 -25.603 6.321 4.801 602 1HG GLU 74 2HG GLU 74 -25.585 9.066 6.032 603 2HG GLU 74 1HG GLU 74 -26.022 8.655 4.375 604 H LEU 75 H LEU 75 -22.730 5.747 6.795 605 HA LEU 75 HA LEU 75 -23.276 2.944 6.219 606 1HB LEU 75 2HB LEU 75 -20.648 4.419 6.321 607 2HB LEU 75 1HB LEU 75 -20.884 2.776 5.752 608 HG LEU 75 HG LEU 75 -22.213 5.151 4.458 609 1HD1 LEU 75 1HD1 LEU 75 -19.677 3.800 3.562 610 2HD1 LEU 75 2HD1 LEU 75 -19.726 5.339 4.420 611 3HD1 LEU 75 3HD1 LEU 75 -20.470 5.192 2.827 612 1HD2 LEU 75 1HD2 LEU 75 -21.750 2.293 3.622 613 2HD2 LEU 75 2HD2 LEU 75 -22.341 3.558 2.541 614 3HD2 LEU 75 3HD2 LEU 75 -23.295 3.082 3.947 615 H GLY 76 H GLY 76 -21.905 4.924 8.780 616 1HA GLY 76 2HA GLY 76 -21.865 4.254 11.052 617 2HA GLY 76 1HA GLY 76 -21.992 2.581 10.533 618 H ILE 77 H ILE 77 -19.688 4.566 8.916 619 HA ILE 77 HA ILE 77 -17.528 2.997 10.091 620 HB ILE 77 HB ILE 77 -17.367 4.994 7.831 621 1HG1 ILE 77 2HG1 ILE 77 -17.272 2.075 7.298 622 2HG1 ILE 77 1HG1 ILE 77 -18.850 2.747 7.701 623 1HG2 ILE 77 1HG2 ILE 77 -15.480 2.745 8.015 624 2HG2 ILE 77 2HG2 ILE 77 -15.335 3.964 9.281 625 3HG2 ILE 77 3HG2 ILE 77 -15.201 4.434 7.586 626 1HD1 ILE 77 1HD1 ILE 77 -17.178 3.129 5.303 627 2HD1 ILE 77 2HD1 ILE 77 -18.088 4.529 5.871 628 3HD1 ILE 77 3HD1 ILE 77 -18.932 3.033 5.468 629 H THR 78 H THR 78 -16.483 3.760 11.799 630 HA THR 78 HA THR 78 -16.672 6.491 12.617 631 HB THR 78 HB THR 78 -16.552 4.856 14.343 632 HG1 THR 78 1HG THR 78 -14.707 5.554 15.479 633 1HG2 THR 78 1HG2 THR 78 -14.353 3.562 14.635 634 2HG2 THR 78 2HG2 THR 78 -14.135 3.846 12.908 635 3HG2 THR 78 3HG2 THR 78 -15.546 2.960 13.486 636 HA PRO 79 HA PRO 79 -13.323 8.255 10.310 637 1HB PRO 79 2HB PRO 79 -12.886 9.886 12.758 638 2HB PRO 79 1HB PRO 79 -13.132 10.407 11.088 639 1HG PRO 79 2HG PRO 79 -15.077 10.651 12.893 640 2HG PRO 79 1HG PRO 79 -15.437 10.183 11.219 641 1HD PRO 79 2HD PRO 79 -15.336 8.494 13.681 642 2HD PRO 79 1HD PRO 79 -16.433 8.400 12.289 643 H VAL 80 H VAL 80 -11.158 7.948 10.120 644 HA VAL 80 HA VAL 80 -9.787 6.690 12.407 645 HB VAL 80 HB VAL 80 -9.073 6.342 9.496 646 1HG1 VAL 80 1HG1 VAL 80 -8.070 4.193 10.698 647 2HG1 VAL 80 2HG1 VAL 80 -8.028 5.304 12.067 648 3HG1 VAL 80 3HG1 VAL 80 -7.177 5.709 10.577 649 1HG2 VAL 80 1HG2 VAL 80 -11.091 4.988 11.168 650 2HG2 VAL 80 2HG2 VAL 80 -10.044 3.936 10.216 651 3HG2 VAL 80 3HG2 VAL 80 -11.008 5.176 9.416 652 H VAL 81 H VAL 81 -9.657 9.198 10.003 653 HA VAL 81 HA VAL 81 -7.246 10.254 11.291 654 HB VAL 81 HB VAL 81 -6.491 9.148 9.239 655 1HG1 VAL 81 1HG1 VAL 81 -7.321 10.603 7.114 656 2HG1 VAL 81 2HG1 VAL 81 -8.784 10.589 8.097 657 3HG1 VAL 81 3HG1 VAL 81 -8.036 9.069 7.607 658 1HG2 VAL 81 1HG2 VAL 81 -5.154 10.896 8.430 659 2HG2 VAL 81 2HG2 VAL 81 -5.532 11.356 10.090 660 3HG2 VAL 81 3HG2 VAL 81 -6.394 12.109 8.748 661 H SER 82 H SER 82 -6.936 12.571 10.925 662 HA SER 82 HA SER 82 -9.423 13.979 11.099 663 1HB SER 82 2HB SER 82 -7.105 14.455 12.262 664 2HB SER 82 1HB SER 82 -6.804 15.399 10.802 665 HG SER 82 HG SER 82 -8.826 16.483 11.272 666 H ALA 83 H ALA 83 -10.075 15.752 9.766 667 HA ALA 83 HA ALA 83 -9.954 15.194 7.003 668 1HB ALA 83 1HB ALA 83 -10.996 17.529 8.578 669 2HB ALA 83 2HB ALA 83 -11.901 16.261 7.751 670 3HB ALA 83 3HB ALA 83 -11.053 17.493 6.816 671 H GLN 84 H GLN 84 -8.371 17.664 8.996 672 HA GLN 84 HA GLN 84 -7.132 19.081 6.922 673 1HB GLN 84 2HB GLN 84 -6.193 18.665 9.766 674 2HB GLN 84 1HB GLN 84 -5.570 19.885 8.665 675 1HG GLN 84 2HG GLN 84 -8.461 19.983 8.922 676 2HG GLN 84 1HG GLN 84 -7.628 20.204 10.460 677 1HE2 GLN 84 1HE2 GLN 84 -6.548 22.066 10.849 678 2HE2 GLN 84 2HE2 GLN 84 -6.501 23.404 9.756 679 H ALA 85 H ALA 85 -6.147 16.184 8.665 680 HA ALA 85 HA ALA 85 -3.507 16.070 7.639 681 1HB ALA 85 1HB ALA 85 -4.830 13.534 8.355 682 2HB ALA 85 2HB ALA 85 -4.782 14.771 9.611 683 3HB ALA 85 3HB ALA 85 -3.284 14.198 8.880 684 H VAL 86 H VAL 86 -6.533 14.479 6.653 685 HA VAL 86 HA VAL 86 -5.348 13.052 4.500 686 HB VAL 86 HB VAL 86 -7.436 12.300 5.523 687 1HG1 VAL 86 1HG1 VAL 86 -9.533 13.447 5.142 688 2HG1 VAL 86 2HG1 VAL 86 -8.703 14.717 4.244 689 3HG1 VAL 86 3HG1 VAL 86 -8.400 14.515 5.969 690 1HG2 VAL 86 1HG2 VAL 86 -7.621 11.245 3.571 691 2HG2 VAL 86 2HG2 VAL 86 -7.012 12.637 2.680 692 3HG2 VAL 86 3HG2 VAL 86 -8.726 12.523 3.071 693 H VAL 87 H VAL 87 -7.206 16.081 4.664 694 HA VAL 87 HA VAL 87 -7.289 16.566 1.895 695 HB VAL 87 HB VAL 87 -7.264 18.626 4.107 696 1HG1 VAL 87 1HG1 VAL 87 -8.825 19.128 1.681 697 2HG1 VAL 87 2HG1 VAL 87 -7.081 19.063 1.420 698 3HG1 VAL 87 3HG1 VAL 87 -7.757 20.199 2.587 699 1HG2 VAL 87 1HG2 VAL 87 -9.831 17.905 2.908 700 2HG2 VAL 87 2HG2 VAL 87 -9.394 18.140 4.601 701 3HG2 VAL 87 3HG2 VAL 87 -9.075 16.595 3.814 702 H ALA 88 H ALA 88 -4.903 17.375 4.359 703 HA ALA 88 HA ALA 88 -3.278 18.886 2.505 704 1HB ALA 88 1HB ALA 88 -1.726 19.108 4.403 705 2HB ALA 88 2HB ALA 88 -2.757 18.034 5.349 706 3HB ALA 88 3HB ALA 88 -3.371 19.598 4.815 707 H GLY 89 H GLY 89 -3.656 15.606 3.299 708 1HA GLY 89 2HA GLY 89 -2.519 13.732 2.623 709 2HA GLY 89 1HA GLY 89 -1.644 14.768 1.507 710 H SER 90 H SER 90 -1.642 15.251 4.976 711 HA SER 90 HA SER 90 1.231 14.632 4.983 712 1HB SER 90 2HB SER 90 0.881 15.926 7.322 713 2HB SER 90 1HB SER 90 1.206 16.761 5.802 714 HG SER 90 HG SER 90 -0.925 17.260 5.614 715 H ASP 91 H ASP 91 -0.858 12.612 5.189 716 HA ASP 91 HA ASP 91 0.157 11.226 7.484 717 1HB ASP 91 2HB ASP 91 -1.958 12.806 8.082 718 2HB ASP 91 1HB ASP 91 -2.800 11.341 7.586 719 HA PRO 92 HA PRO 92 -1.008 8.638 3.794 720 1HB PRO 92 2HB PRO 92 1.173 6.993 4.090 721 2HB PRO 92 1HB PRO 92 1.156 8.449 3.090 722 1HG PRO 92 2HG PRO 92 2.199 8.068 5.868 723 2HG PRO 92 1HG PRO 92 2.903 8.983 4.522 724 1HD PRO 92 2HD PRO 92 1.597 10.204 6.525 725 2HD PRO 92 1HD PRO 92 1.498 10.795 4.853 726 H LEU 93 H LEU 93 0.219 7.692 6.983 727 HA LEU 93 HA LEU 93 -0.698 5.056 7.011 728 1HB LEU 93 2HB LEU 93 -0.034 7.071 9.105 729 2HB LEU 93 1HB LEU 93 -0.871 5.612 9.597 730 HG LEU 93 HG LEU 93 1.026 4.363 8.354 731 1HD1 LEU 93 1HD1 LEU 93 2.318 5.833 7.223 732 2HD1 LEU 93 2HD1 LEU 93 3.154 5.927 8.774 733 3HD1 LEU 93 3HD1 LEU 93 1.973 7.161 8.332 734 1HD2 LEU 93 1HD2 LEU 93 2.550 4.963 10.462 735 2HD2 LEU 93 2HD2 LEU 93 1.106 3.958 10.583 736 3HD2 LEU 93 3HD2 LEU 93 1.029 5.668 11.010 737 H GLY 94 H GLY 94 -2.336 8.075 7.820 738 1HA GLY 94 2HA GLY 94 -4.704 6.828 8.823 739 2HA GLY 94 1HA GLY 94 -4.526 8.520 8.379 740 H LEU 95 H LEU 95 -3.750 8.121 5.673 741 HA LEU 95 HA LEU 95 -6.254 8.008 4.431 742 1HB LEU 95 2HB LEU 95 -3.441 8.143 3.557 743 2HB LEU 95 1HB LEU 95 -4.558 7.492 2.375 744 HG LEU 95 HG LEU 95 -4.221 9.895 2.071 745 1HD1 LEU 95 1HD1 LEU 95 -6.402 8.780 1.548 746 2HD1 LEU 95 2HD1 LEU 95 -6.505 10.515 1.848 747 3HD1 LEU 95 3HD1 LEU 95 -7.000 9.374 3.098 748 1HD2 LEU 95 1HD2 LEU 95 -3.868 11.080 3.935 749 2HD2 LEU 95 2HD2 LEU 95 -4.711 9.911 4.950 750 3HD2 LEU 95 3HD2 LEU 95 -5.626 11.136 4.071 751 H ILE 96 H ILE 96 -3.706 5.561 4.710 752 HA ILE 96 HA ILE 96 -5.003 3.610 3.113 753 HB ILE 96 HB ILE 96 -2.974 3.149 5.302 754 1HG1 ILE 96 2HG1 ILE 96 -2.520 3.564 2.340 755 2HG1 ILE 96 1HG1 ILE 96 -2.231 4.785 3.575 756 1HG2 ILE 96 1HG2 ILE 96 -2.506 1.241 3.463 757 2HG2 ILE 96 2HG2 ILE 96 -4.251 1.425 3.283 758 3HG2 ILE 96 3HG2 ILE 96 -3.564 1.018 4.856 759 1HD1 ILE 96 1HD1 ILE 96 -0.143 4.009 3.554 760 2HD1 ILE 96 2HD1 ILE 96 -0.611 2.496 2.778 761 3HD1 ILE 96 3HD1 ILE 96 -0.785 2.683 4.523 762 H ALA 97 H ALA 97 -4.947 4.249 6.592 763 HA ALA 97 HA ALA 97 -6.325 1.981 7.458 764 1HB ALA 97 1HB ALA 97 -6.852 4.534 8.862 765 2HB ALA 97 2HB ALA 97 -5.171 4.018 8.731 766 3HB ALA 97 3HB ALA 97 -6.359 2.967 9.504 767 H TYR 98 H TYR 98 -7.526 5.087 6.280 768 HA TYR 98 HA TYR 98 -10.256 4.617 6.856 769 1HB TYR 98 2HB TYR 98 -8.941 6.810 6.154 770 2HB TYR 98 1HB TYR 98 -9.464 6.331 4.543 771 HD1 TYR 98 1HD TYR 98 -10.894 6.736 7.978 772 HD2 TYR 98 2HD TYR 98 -11.472 7.176 3.785 773 HE1 TYR 98 1HE TYR 98 -13.088 7.767 8.393 774 HE2 TYR 98 2HE TYR 98 -13.667 8.207 4.189 775 HH TYR 98 HH TYR 98 -15.353 8.356 5.860 776 H LEU 99 H LEU 99 -8.327 4.188 3.905 777 HA LEU 99 HA LEU 99 -10.382 3.334 2.220 778 1HB LEU 99 2HB LEU 99 -7.446 3.196 2.246 779 2HB LEU 99 1HB LEU 99 -8.221 1.933 1.309 780 HG LEU 99 HG LEU 99 -9.507 3.808 0.138 781 1HD1 LEU 99 1HD1 LEU 99 -7.374 5.407 1.536 782 2HD1 LEU 99 2HD1 LEU 99 -9.122 5.623 1.630 783 3HD1 LEU 99 3HD1 LEU 99 -8.268 5.981 0.128 784 1HD2 LEU 99 1HD2 LEU 99 -6.605 3.188 -0.151 785 2HD2 LEU 99 2HD2 LEU 99 -7.331 4.424 -1.176 786 3HD2 LEU 99 3HD2 LEU 99 -7.956 2.775 -1.206 787 H SER 100 H SER 100 -8.383 1.536 4.502 788 HA SER 100 HA SER 100 -9.133 -1.057 3.759 789 1HB SER 100 2HB SER 100 -8.373 -0.015 6.499 790 2HB SER 100 1HB SER 100 -8.414 -1.715 6.031 791 HG SER 100 HG SER 100 -6.477 -1.439 5.300 792 H HIS 101 H HIS 101 -10.566 1.162 6.130 793 HA HIS 101 HA HIS 101 -12.571 -0.605 7.032 794 1HB HIS 101 2HB HIS 101 -11.932 2.244 7.323 795 2HB HIS 101 1HB HIS 101 -13.655 1.894 7.402 796 HD1 HIS 101 1HD HIS 101 -13.304 -0.903 8.862 797 HD2 HIS 101 2HD HIS 101 -11.605 2.705 10.027 798 HE1 HIS 101 1HE HIS 101 -12.837 -1.143 11.321 799 HE2 HIS 101 2HE HIS 101 -11.893 1.085 12.024 800 H PHE 102 H PHE 102 -12.567 1.891 4.513 801 HA PHE 102 HA PHE 102 -15.301 1.597 3.825 802 1HB PHE 102 2HB PHE 102 -12.982 3.072 2.825 803 2HB PHE 102 1HB PHE 102 -14.063 2.543 1.540 804 HD1 PHE 102 1HD PHE 102 -13.688 4.693 4.461 805 HD2 PHE 102 2HD PHE 102 -16.332 3.382 1.395 806 HE1 PHE 102 1HE PHE 102 -15.191 6.578 4.956 807 HE2 PHE 102 2HE PHE 102 -17.839 5.264 1.883 808 HZ PHE 102 HZ PHE 102 -17.269 6.865 3.666 809 H HIS 103 H HIS 103 -12.319 0.172 2.567 810 HA HIS 103 HA HIS 103 -13.500 -1.187 0.390 811 1HB HIS 103 2HB HIS 103 -10.982 -0.715 0.973 812 2HB HIS 103 1HB HIS 103 -11.084 -2.272 1.788 813 HD1 HIS 103 1HD HIS 103 -12.229 -4.200 0.062 814 HD2 HIS 103 2HD HIS 103 -10.170 -0.987 -1.580 815 HE1 HIS 103 1HE HIS 103 -11.602 -4.922 -2.264 816 HE2 HIS 103 2HE HIS 103 -10.270 -2.999 -3.201 817 H SER 104 H SER 104 -12.842 -2.141 3.733 818 HA SER 104 HA SER 104 -13.538 -4.844 3.517 819 1HB SER 104 2HB SER 104 -13.654 -4.867 5.900 820 2HB SER 104 1HB SER 104 -12.404 -3.696 5.478 821 HG SER 104 HG SER 104 -13.600 -2.130 6.252 822 H ALA 105 H ALA 105 -15.517 -2.001 4.271 823 HA ALA 105 HA ALA 105 -17.922 -3.523 4.608 824 1HB ALA 105 1HB ALA 105 -17.172 -0.667 4.673 825 2HB ALA 105 2HB ALA 105 -18.164 -1.608 5.787 826 3HB ALA 105 3HB ALA 105 -18.848 -1.033 4.267 827 H PHE 106 H PHE 106 -16.550 -1.521 2.030 828 HA PHE 106 HA PHE 106 -18.762 -1.690 0.283 829 1HB PHE 106 2HB PHE 106 -15.878 -0.959 -0.019 830 2HB PHE 106 1HB PHE 106 -16.849 -1.213 -1.464 831 HD1 PHE 106 1HD PHE 106 -18.080 0.234 1.705 832 HD2 PHE 106 2HD PHE 106 -16.848 0.989 -2.297 833 HE1 PHE 106 1HE PHE 106 -18.939 2.533 1.879 834 HE2 PHE 106 2HE PHE 106 -17.704 3.289 -2.132 835 HZ PHE 106 HZ PHE 106 -18.752 4.064 -0.041 836 H LYS 107 H LYS 107 -16.037 -3.788 0.890 837 HA LYS 107 HA LYS 107 -16.208 -5.363 -1.444 838 1HB LYS 107 2HB LYS 107 -14.252 -5.370 0.052 839 2HB LYS 107 1HB LYS 107 -15.216 -6.137 1.305 840 1HG LYS 107 2HG LYS 107 -15.489 -8.113 -0.064 841 2HG LYS 107 1HG LYS 107 -14.615 -7.340 -1.389 842 1HD LYS 107 2HD LYS 107 -12.779 -7.062 0.521 843 2HD LYS 107 1HD LYS 107 -13.599 -8.493 1.147 844 1HE LYS 107 2HE LYS 107 -12.932 -8.488 -1.735 845 2HE LYS 107 1HE LYS 107 -11.581 -8.610 -0.610 846 1HZ LYS 107 1HZ LYS 107 -12.982 -10.701 -1.469 847 2HZ LYS 107 2HZ LYS 107 -13.838 -10.346 -0.054 848 3HZ LYS 107 3HZ LYS 107 -12.180 -10.668 0.020 849 H SER 108 H SER 108 -17.572 -5.827 1.808 850 HA SER 108 HA SER 108 -18.895 -8.252 1.215 851 1HB SER 108 2HB SER 108 -18.454 -6.757 3.494 852 2HB SER 108 1HB SER 108 -20.196 -6.611 3.263 853 HG SER 108 HG SER 108 -20.101 -8.999 2.992 854 H MET 109 H MET 109 -19.940 -4.875 1.121 855 HA MET 109 HA MET 109 -22.582 -5.650 0.178 856 1HB MET 109 2HB MET 109 -21.720 -3.569 1.731 857 2HB MET 109 1HB MET 109 -21.880 -2.793 0.162 858 1HG MET 109 2HG MET 109 -23.998 -2.485 0.802 859 2HG MET 109 1HG MET 109 -24.206 -4.152 0.273 860 1HE MET 109 1HE MET 109 -24.829 -2.363 4.285 861 2HE MET 109 2HE MET 109 -25.998 -2.436 2.967 862 3HE MET 109 3HE MET 109 -24.459 -1.607 2.736 Start of MODEL 14 1 1H MET -8 1HT MET -8 3.586 -18.896 0.245 2 2H MET -8 2HT MET -8 4.866 -19.903 0.786 3 3H MET -8 3HT MET -8 5.102 -18.855 -0.553 4 HA MET -8 HA MET -8 6.133 -18.026 1.435 5 1HB MET -8 2HB MET -8 3.751 -16.502 0.361 6 2HB MET -8 1HB MET -8 5.030 -15.777 1.326 7 1HG MET -8 2HG MET -8 6.650 -16.529 -0.429 8 2HG MET -8 1HG MET -8 5.263 -16.993 -1.413 9 1HE MET -8 1HE MET -8 6.913 -14.866 -3.128 10 2HE MET -8 2HE MET -8 5.410 -14.046 -3.552 11 3HE MET -8 3HE MET -8 5.426 -15.794 -3.319 12 H GLY -7 H GLY -7 6.093 -18.324 3.560 13 1HA GLY -7 2HA GLY -7 3.504 -18.579 4.917 14 2HA GLY -7 1HA GLY -7 5.055 -19.106 5.553 15 H HIS -6 H HIS -6 6.331 -16.540 4.788 16 HA HIS -6 HA HIS -6 5.891 -15.158 7.224 17 1HB HIS -6 2HB HIS -6 7.632 -14.861 4.866 18 2HB HIS -6 1HB HIS -6 7.244 -13.353 5.690 19 HD1 HIS -6 1HD HIS -6 7.316 -14.272 8.603 20 HD2 HIS -6 2HD HIS -6 10.144 -15.373 5.764 21 HE1 HIS -6 1HE HIS -6 9.377 -14.886 9.907 22 HE2 HIS -6 2HE HIS -6 11.102 -15.460 8.164 23 H HIS -5 H HIS -5 5.674 -12.601 6.996 24 HA HIS -5 HA HIS -5 3.610 -11.852 5.093 25 1HB HIS -5 2HB HIS -5 2.174 -10.946 6.976 26 2HB HIS -5 1HB HIS -5 2.200 -12.698 6.812 27 HD1 HIS -5 1HD HIS -5 3.631 -14.015 8.614 28 HD2 HIS -5 2HD HIS -5 3.049 -9.975 9.396 29 HE1 HIS -5 1HE HIS -5 4.222 -13.707 11.040 30 HE2 HIS -5 2HE HIS -5 3.785 -11.271 11.510 31 H HIS -4 H HIS -4 3.284 -9.578 4.941 32 HA HIS -4 HA HIS -4 3.978 -7.415 4.860 33 1HB HIS -4 2HB HIS -4 4.787 -8.186 7.651 34 2HB HIS -4 1HB HIS -4 5.152 -6.585 7.018 35 HD1 HIS -4 1HD HIS -4 1.966 -7.904 5.797 36 HD2 HIS -4 2HD HIS -4 3.291 -5.723 9.076 37 HE1 HIS -4 1HE HIS -4 -0.100 -6.887 6.806 38 HE2 HIS -4 2HE HIS -4 0.716 -5.641 8.838 39 H HIS -3 H HIS -3 5.429 -7.534 3.190 40 HA HIS -3 HA HIS -3 8.122 -8.450 3.570 41 1HB HIS -3 2HB HIS -3 6.443 -7.603 1.334 42 2HB HIS -3 1HB HIS -3 8.107 -7.048 1.185 43 HD1 HIS -3 1HD HIS -3 6.269 -9.581 -0.143 44 HD2 HIS -3 2HD HIS -3 9.754 -9.632 2.121 45 HE1 HIS -3 1HE HIS -3 7.371 -11.784 -0.652 46 HE2 HIS -3 2HE HIS -3 9.519 -11.755 0.664 47 H HIS -2 H HIS -2 6.517 -5.511 4.142 48 HA HIS -2 HA HIS -2 7.254 -3.504 4.921 49 1HB HIS -2 2HB HIS -2 8.980 -4.973 6.089 50 2HB HIS -2 1HB HIS -2 10.075 -4.565 4.773 51 HD1 HIS -2 1HD HIS -2 11.060 -2.195 4.743 52 HD2 HIS -2 2HD HIS -2 8.431 -2.877 7.888 53 HE1 HIS -2 1HE HIS -2 11.360 -0.246 6.305 54 HE2 HIS -2 2HE HIS -2 9.702 -0.640 8.161 55 H HIS -1 H HIS -1 9.903 -4.578 2.785 56 HA HIS -1 HA HIS -1 9.564 -2.090 1.259 57 1HB HIS -1 2HB HIS -1 11.850 -2.601 0.379 58 2HB HIS -1 1HB HIS -1 11.795 -2.350 2.121 59 HD1 HIS -1 1HD HIS -1 12.895 -4.100 3.489 60 HD2 HIS -1 2HD HIS -1 11.898 -5.486 -0.299 61 HE1 HIS -1 1HE HIS -1 13.851 -6.422 3.351 62 HE2 HIS -1 2HE HIS -1 13.155 -7.275 1.083 63 H MET 0 H MET 0 7.878 -4.484 0.961 64 HA MET 0 HA MET 0 7.734 -4.565 -1.846 65 1HB MET 0 2HB MET 0 9.796 -6.043 -1.277 66 2HB MET 0 1HB MET 0 8.602 -7.221 -0.749 67 1HG MET 0 2HG MET 0 9.074 -7.817 -2.944 68 2HG MET 0 1HG MET 0 7.550 -6.937 -3.051 69 1HE MET 0 1HE MET 0 11.411 -6.028 -2.896 70 2HE MET 0 2HE MET 0 11.654 -5.557 -4.578 71 3HE MET 0 3HE MET 0 11.189 -7.212 -4.184 72 H GLY 1 H GLY 1 6.005 -4.170 0.380 73 1HA GLY 1 2HA GLY 1 3.986 -6.185 -0.279 74 2HA GLY 1 1HA GLY 1 4.399 -5.972 1.415 75 H SER 2 H SER 2 4.226 -3.682 2.235 76 HA SER 2 HA SER 2 1.607 -2.727 1.744 77 1HB SER 2 2HB SER 2 3.887 -1.935 3.473 78 2HB SER 2 1HB SER 2 2.695 -0.684 3.118 79 HG SER 2 HG SER 2 2.186 -1.919 5.000 80 H ALA 3 H ALA 3 4.763 -1.817 0.554 81 HA ALA 3 HA ALA 3 3.916 0.673 -0.586 82 1HB ALA 3 1HB ALA 3 6.166 0.727 -0.173 83 2HB ALA 3 2HB ALA 3 6.175 0.283 -1.879 84 3HB ALA 3 3HB ALA 3 6.406 -0.955 -0.646 85 H GLY 4 H GLY 4 4.410 -2.616 -1.780 86 1HA GLY 4 2HA GLY 4 3.886 -1.944 -4.516 87 2HA GLY 4 1HA GLY 4 3.980 -3.563 -3.841 88 H THR 5 H THR 5 1.926 -2.888 -1.796 89 HA THR 5 HA THR 5 -0.352 -3.689 -3.312 90 HB THR 5 HB THR 5 -1.498 -3.218 -1.005 91 HG1 THR 5 1HG THR 5 -0.023 -3.184 0.693 92 1HG2 THR 5 1HG2 THR 5 0.543 -5.274 -0.570 93 2HG2 THR 5 2HG2 THR 5 -0.403 -5.451 -2.050 94 3HG2 THR 5 3HG2 THR 5 -1.216 -5.374 -0.485 95 H GLN 6 H GLN 6 0.933 -0.648 -2.326 96 HA GLN 6 HA GLN 6 -1.348 0.935 -2.186 97 1HB GLN 6 2HB GLN 6 1.515 1.422 -2.820 98 2HB GLN 6 1HB GLN 6 0.372 2.695 -3.223 99 1HG GLN 6 2HG GLN 6 -0.422 2.648 -0.873 100 2HG GLN 6 1HG GLN 6 0.858 1.491 -0.511 101 1HE2 GLN 6 1HE2 GLN 6 2.265 2.566 0.697 102 2HE2 GLN 6 2HE2 GLN 6 2.979 4.086 0.297 103 H GLU 7 H GLU 7 0.374 -0.308 -4.971 104 HA GLU 7 HA GLU 7 -0.761 1.347 -6.938 105 1HB GLU 7 2HB GLU 7 1.140 -0.578 -6.955 106 2HB GLU 7 1HB GLU 7 -0.196 -1.457 -7.686 107 1HG GLU 7 2HG GLU 7 -0.289 -0.051 -9.523 108 2HG GLU 7 1HG GLU 7 0.559 1.252 -8.693 109 H GLU 8 H GLU 8 -1.770 -1.833 -5.712 110 HA GLU 8 HA GLU 8 -4.060 -1.994 -7.400 111 1HB GLU 8 2HB GLU 8 -4.684 -3.928 -6.074 112 2HB GLU 8 1HB GLU 8 -2.969 -3.989 -6.448 113 1HG GLU 8 2HG GLU 8 -2.344 -3.521 -4.268 114 2HG GLU 8 1HG GLU 8 -3.914 -2.835 -3.860 115 H LEU 9 H LEU 9 -3.438 -0.705 -4.213 116 HA LEU 9 HA LEU 9 -6.142 -0.469 -3.389 117 1HB LEU 9 2HB LEU 9 -3.518 0.385 -2.427 118 2HB LEU 9 1HB LEU 9 -4.784 1.542 -2.071 119 HG LEU 9 HG LEU 9 -4.502 0.038 -0.202 120 1HD1 LEU 9 1HD1 LEU 9 -7.012 -1.047 -1.297 121 2HD1 LEU 9 2HD1 LEU 9 -6.865 0.710 -1.293 122 3HD1 LEU 9 3HD1 LEU 9 -6.704 -0.191 0.214 123 1HD2 LEU 9 1HD2 LEU 9 -4.321 -2.212 -0.329 124 2HD2 LEU 9 2HD2 LEU 9 -3.792 -1.849 -1.972 125 3HD2 LEU 9 3HD2 LEU 9 -5.460 -2.338 -1.670 126 H LEU 10 H LEU 10 -3.864 1.826 -4.861 127 HA LEU 10 HA LEU 10 -5.627 4.018 -4.946 128 1HB LEU 10 2HB LEU 10 -3.132 4.080 -5.244 129 2HB LEU 10 1HB LEU 10 -3.369 3.446 -6.861 130 HG LEU 10 HG LEU 10 -5.044 5.668 -6.754 131 1HD1 LEU 10 1HD1 LEU 10 -3.285 7.430 -6.127 132 2HD1 LEU 10 2HD1 LEU 10 -2.517 6.132 -5.214 133 3HD1 LEU 10 3HD1 LEU 10 -4.164 6.628 -4.825 134 1HD2 LEU 10 1HD2 LEU 10 -2.915 6.629 -8.060 135 2HD2 LEU 10 2HD2 LEU 10 -4.017 5.441 -8.756 136 3HD2 LEU 10 3HD2 LEU 10 -2.493 4.917 -8.040 137 H ARG 11 H ARG 11 -5.082 1.328 -7.132 138 HA ARG 11 HA ARG 11 -6.528 2.347 -9.336 139 1HB ARG 11 2HB ARG 11 -5.674 -0.396 -8.476 140 2HB ARG 11 1HB ARG 11 -6.756 -0.202 -9.849 141 1HG ARG 11 2HG ARG 11 -4.965 1.468 -10.702 142 2HG ARG 11 1HG ARG 11 -3.909 0.647 -9.550 143 1HD ARG 11 2HD ARG 11 -3.571 -0.947 -11.057 144 2HD ARG 11 1HD ARG 11 -5.278 -1.373 -10.944 145 HE ARG 11 HE ARG 11 -4.777 0.832 -12.706 146 1HH1 ARG 11 1HH1 ARG 11 -4.850 -2.648 -12.456 147 2HH1 ARG 11 2HH1 ARG 11 -5.123 -2.888 -14.149 148 1HH2 ARG 11 1HH2 ARG 11 -5.137 0.518 -14.933 149 2HH2 ARG 11 2HH2 ARG 11 -5.285 -1.091 -15.556 150 H TRP 12 H TRP 12 -7.468 0.473 -6.509 151 HA TRP 12 HA TRP 12 -10.109 -0.102 -7.354 152 1HB TRP 12 2HB TRP 12 -8.883 -1.299 -5.526 153 2HB TRP 12 1HB TRP 12 -9.101 0.125 -4.512 154 HD1 TRP 12 HD TRP 12 -11.273 -2.497 -6.365 155 HE1 TRP 12 1HE TRP 12 -13.454 -2.802 -5.033 156 HE3 TRP 12 3HE TRP 12 -10.536 1.065 -2.771 157 HZ2 TRP 12 2HZ TRP 12 -14.698 -1.683 -2.761 158 HZ3 TRP 12 3HZ TRP 12 -12.271 1.384 -1.055 159 HH2 TRP 12 HH TRP 12 -14.309 0.038 -1.051 160 H CYS 13 H CYS 13 -8.678 2.547 -5.516 161 HA CYS 13 HA CYS 13 -11.090 3.777 -4.730 162 1HB CYS 13 2HB CYS 13 -8.584 4.193 -4.005 163 2HB CYS 13 1HB CYS 13 -8.648 5.414 -5.273 164 HG CYS 13 HG CYS 13 -10.860 5.630 -3.161 165 H GLN 14 H GLN 14 -8.969 4.306 -7.527 166 HA GLN 14 HA GLN 14 -10.489 6.426 -8.627 167 1HB GLN 14 2HB GLN 14 -8.066 5.746 -9.151 168 2HB GLN 14 1HB GLN 14 -8.769 4.554 -10.237 169 1HG GLN 14 2HG GLN 14 -9.271 7.516 -10.394 170 2HG GLN 14 1HG GLN 14 -8.078 6.645 -11.357 171 1HE2 GLN 14 1HE2 GLN 14 -10.581 8.167 -12.023 172 2HE2 GLN 14 2HE2 GLN 14 -11.491 7.090 -13.020 173 H GLU 15 H GLU 15 -10.542 2.926 -9.086 174 HA GLU 15 HA GLU 15 -12.359 2.911 -11.256 175 1HB GLU 15 2HB GLU 15 -10.836 1.015 -10.223 176 2HB GLU 15 1HB GLU 15 -12.282 0.662 -9.288 177 1HG GLU 15 2HG GLU 15 -13.051 0.973 -11.997 178 2HG GLU 15 1HG GLU 15 -11.652 -0.097 -11.945 179 H GLN 16 H GLN 16 -12.806 2.582 -7.754 180 HA GLN 16 HA GLN 16 -15.613 2.239 -7.848 181 1HB GLN 16 2HB GLN 16 -13.597 2.827 -5.751 182 2HB GLN 16 1HB GLN 16 -15.264 3.253 -5.385 183 1HG GLN 16 2HG GLN 16 -14.432 0.525 -6.325 184 2HG GLN 16 1HG GLN 16 -14.520 0.981 -4.624 185 1HE2 GLN 16 1HE2 GLN 16 -16.704 2.190 -4.161 186 2HE2 GLN 16 2HE2 GLN 16 -18.109 1.349 -4.712 187 H THR 17 H THR 17 -13.536 5.045 -7.820 188 HA THR 17 HA THR 17 -15.757 6.868 -7.398 189 HB THR 17 HB THR 17 -12.843 7.437 -7.977 190 HG1 THR 17 1HG THR 17 -14.307 7.218 -5.570 191 1HG2 THR 17 1HG2 THR 17 -13.914 9.534 -6.524 192 2HG2 THR 17 2HG2 THR 17 -15.120 9.194 -7.764 193 3HG2 THR 17 3HG2 THR 17 -13.455 9.547 -8.227 194 H ALA 18 H ALA 18 -14.967 5.108 -9.952 195 HA ALA 18 HA ALA 18 -14.859 7.127 -12.004 196 1HB ALA 18 1HB ALA 18 -13.707 5.024 -12.348 197 2HB ALA 18 2HB ALA 18 -14.972 5.222 -13.560 198 3HB ALA 18 3HB ALA 18 -15.225 4.140 -12.192 199 H GLY 19 H GLY 19 -16.522 8.048 -13.025 200 1HA GLY 19 2HA GLY 19 -18.788 7.288 -14.050 201 2HA GLY 19 1HA GLY 19 -19.223 7.105 -12.358 202 H TYR 20 H TYR 20 -17.485 9.490 -11.711 203 HA TYR 20 HA TYR 20 -19.557 11.467 -12.126 204 1HB TYR 20 2HB TYR 20 -16.926 11.746 -10.664 205 2HB TYR 20 1HB TYR 20 -18.304 12.837 -10.563 206 HD1 TYR 20 1HD TYR 20 -20.051 12.438 -9.027 207 HD2 TYR 20 2HD TYR 20 -17.174 9.395 -9.773 208 HE1 TYR 20 1HE TYR 20 -20.943 11.140 -7.142 209 HE2 TYR 20 2HE TYR 20 -18.059 8.088 -7.890 210 HH TYR 20 HH TYR 20 -19.351 8.281 -5.957 211 HA PRO 21 HA PRO 21 -17.450 13.051 -15.760 212 1HB PRO 21 2HB PRO 21 -19.387 15.256 -15.591 213 2HB PRO 21 1HB PRO 21 -19.151 14.066 -16.872 214 1HG PRO 21 2HG PRO 21 -21.307 14.021 -15.266 215 2HG PRO 21 1HG PRO 21 -20.568 12.536 -15.895 216 1HD PRO 21 2HD PRO 21 -20.308 13.783 -13.182 217 2HD PRO 21 1HD PRO 21 -20.498 12.072 -13.624 218 H GLY 22 H GLY 22 -15.878 13.554 -13.716 219 1HA GLY 22 2HA GLY 22 -14.403 15.703 -14.129 220 2HA GLY 22 1HA GLY 22 -15.739 16.440 -13.257 221 H VAL 23 H VAL 23 -14.267 13.267 -12.699 222 HA VAL 23 HA VAL 23 -13.083 14.266 -10.216 223 HB VAL 23 HB VAL 23 -14.837 11.806 -10.297 224 1HG1 VAL 23 1HG1 VAL 23 -12.884 11.847 -8.696 225 2HG1 VAL 23 2HG1 VAL 23 -14.473 11.626 -7.963 226 3HG1 VAL 23 3HG1 VAL 23 -13.681 13.200 -7.894 227 1HG2 VAL 23 1HG2 VAL 23 -15.366 14.577 -9.238 228 2HG2 VAL 23 2HG2 VAL 23 -16.324 13.162 -8.798 229 3HG2 VAL 23 3HG2 VAL 23 -16.268 13.702 -10.476 230 H HIS 24 H HIS 24 -11.046 13.640 -10.129 231 HA HIS 24 HA HIS 24 -10.293 11.073 -11.363 232 1HB HIS 24 2HB HIS 24 -8.739 13.666 -11.313 233 2HB HIS 24 1HB HIS 24 -8.067 12.125 -11.837 234 HD1 HIS 24 1HD HIS 24 -10.101 11.022 -13.695 235 HD2 HIS 24 2HD HIS 24 -9.217 15.080 -13.559 236 HE1 HIS 24 1HE HIS 24 -10.814 11.941 -15.925 237 HE2 HIS 24 2HE HIS 24 -10.193 14.381 -15.850 238 H VAL 25 H VAL 25 -9.334 9.656 -10.052 239 HA VAL 25 HA VAL 25 -8.208 10.652 -7.515 240 HB VAL 25 HB VAL 25 -9.487 7.949 -7.898 241 1HG1 VAL 25 1HG1 VAL 25 -7.746 8.744 -5.987 242 2HG1 VAL 25 2HG1 VAL 25 -8.992 7.519 -5.746 243 3HG1 VAL 25 3HG1 VAL 25 -9.282 9.182 -5.237 244 1HG2 VAL 25 1HG2 VAL 25 -11.257 9.497 -8.187 245 2HG2 VAL 25 2HG2 VAL 25 -10.669 10.521 -6.876 246 3HG2 VAL 25 3HG2 VAL 25 -11.357 8.938 -6.517 247 H SER 26 H SER 26 -6.063 10.666 -8.013 248 HA SER 26 HA SER 26 -4.781 8.084 -8.283 249 1HB SER 26 2HB SER 26 -5.259 8.996 -10.637 250 2HB SER 26 1HB SER 26 -4.044 10.222 -10.276 251 HG SER 26 HG SER 26 -2.767 8.711 -11.040 252 H ASP 27 H ASP 27 -4.982 10.400 -6.384 253 HA ASP 27 HA ASP 27 -2.100 10.705 -5.958 254 1HB ASP 27 2HB ASP 27 -4.024 13.007 -5.597 255 2HB ASP 27 1HB ASP 27 -2.267 13.049 -5.489 256 H LEU 28 H LEU 28 -1.475 10.904 -3.788 257 HA LEU 28 HA LEU 28 -3.490 9.948 -1.902 258 1HB LEU 28 2HB LEU 28 -0.483 10.011 -1.852 259 2HB LEU 28 1HB LEU 28 -1.428 9.619 -0.429 260 HG LEU 28 HG LEU 28 -0.595 7.619 -1.612 261 1HD1 LEU 28 1HD1 LEU 28 -2.986 7.967 -0.438 262 2HD1 LEU 28 2HD1 LEU 28 -2.429 6.422 -1.079 263 3HD1 LEU 28 3HD1 LEU 28 -3.505 7.439 -2.038 264 1HD2 LEU 28 1HD2 LEU 28 -1.027 8.886 -3.900 265 2HD2 LEU 28 2HD2 LEU 28 -2.564 8.029 -3.795 266 3HD2 LEU 28 3HD2 LEU 28 -1.048 7.126 -3.789 267 H SER 29 H SER 29 -3.626 12.689 -2.671 268 HA SER 29 HA SER 29 -3.765 13.892 -0.110 269 1HB SER 29 2HB SER 29 -1.455 14.266 -0.130 270 2HB SER 29 1HB SER 29 -1.426 14.600 -1.860 271 HG SER 29 HG SER 29 -2.760 16.261 0.003 272 H SER 30 H SER 30 -2.868 15.499 -3.140 273 HA SER 30 HA SER 30 -4.854 17.426 -3.051 274 1HB SER 30 2HB SER 30 -3.828 16.375 -5.674 275 2HB SER 30 1HB SER 30 -4.203 18.036 -5.217 276 HG SER 30 HG SER 30 -2.359 18.100 -3.983 277 H SER 31 H SER 31 -5.061 14.126 -4.096 278 HA SER 31 HA SER 31 -7.374 14.344 -5.708 279 1HB SER 31 2HB SER 31 -5.657 12.264 -4.808 280 2HB SER 31 1HB SER 31 -7.311 11.790 -4.425 281 HG SER 31 HG SER 31 -6.148 12.351 -6.925 282 H TRP 32 H TRP 32 -6.893 14.203 -2.267 283 HA TRP 32 HA TRP 32 -9.804 14.012 -1.872 284 1HB TRP 32 2HB TRP 32 -7.736 13.611 0.281 285 2HB TRP 32 1HB TRP 32 -9.423 13.107 0.281 286 HD1 TRP 32 HD TRP 32 -6.250 12.300 -1.823 287 HE1 TRP 32 1HE TRP 32 -6.273 9.779 -2.341 288 HE3 TRP 32 3HE TRP 32 -10.674 11.053 0.414 289 HZ2 TRP 32 2HZ TRP 32 -7.946 7.555 -1.864 290 HZ3 TRP 32 3HZ TRP 32 -11.414 8.708 0.338 291 HH2 TRP 32 HH TRP 32 -10.078 6.995 -0.778 292 H ALA 33 H ALA 33 -7.952 16.403 -2.453 293 HA ALA 33 HA ALA 33 -7.779 18.047 -0.209 294 1HB ALA 33 1HB ALA 33 -8.134 19.859 -2.181 295 2HB ALA 33 2HB ALA 33 -7.695 18.434 -3.122 296 3HB ALA 33 3HB ALA 33 -6.613 19.026 -1.862 297 H ASP 34 H ASP 34 -10.316 18.062 -2.728 298 HA ASP 34 HA ASP 34 -12.009 19.702 -1.035 299 1HB ASP 34 2HB ASP 34 -13.607 19.515 -3.009 300 2HB ASP 34 1HB ASP 34 -12.075 20.327 -3.318 301 H GLY 35 H GLY 35 -11.315 16.583 -0.846 302 1HA GLY 35 2HA GLY 35 -12.375 14.810 0.149 303 2HA GLY 35 1HA GLY 35 -13.684 15.908 0.551 304 H LEU 36 H LEU 36 -12.655 15.370 -2.746 305 HA LEU 36 HA LEU 36 -15.299 14.576 -3.499 306 1HB LEU 36 2HB LEU 36 -12.771 15.217 -4.867 307 2HB LEU 36 1HB LEU 36 -13.790 14.059 -5.702 308 HG LEU 36 HG LEU 36 -15.075 16.555 -4.725 309 1HD1 LEU 36 1HD1 LEU 36 -13.960 16.853 -7.393 310 2HD1 LEU 36 2HD1 LEU 36 -12.724 16.778 -6.136 311 3HD1 LEU 36 3HD1 LEU 36 -14.002 17.990 -6.047 312 1HD2 LEU 36 1HD2 LEU 36 -16.015 14.467 -6.080 313 2HD2 LEU 36 2HD2 LEU 36 -15.436 15.428 -7.441 314 3HD2 LEU 36 3HD2 LEU 36 -16.621 16.105 -6.324 315 H ALA 37 H ALA 37 -12.206 12.924 -3.103 316 HA ALA 37 HA ALA 37 -12.927 10.459 -4.230 317 1HB ALA 37 1HB ALA 37 -10.816 11.390 -2.366 318 2HB ALA 37 2HB ALA 37 -10.676 10.559 -3.916 319 3HB ALA 37 3HB ALA 37 -11.116 9.655 -2.466 320 H LEU 38 H LEU 38 -13.082 11.586 -0.861 321 HA LEU 38 HA LEU 38 -14.116 9.179 0.197 322 1HB LEU 38 2HB LEU 38 -13.245 11.598 1.221 323 2HB LEU 38 1HB LEU 38 -14.956 11.594 1.606 324 HG LEU 38 HG LEU 38 -14.366 9.141 2.472 325 1HD1 LEU 38 1HD1 LEU 38 -11.780 10.542 2.223 326 2HD1 LEU 38 2HD1 LEU 38 -12.147 8.816 2.205 327 3HD1 LEU 38 3HD1 LEU 38 -12.070 9.686 3.737 328 1HD2 LEU 38 1HD2 LEU 38 -13.676 10.485 4.685 329 2HD2 LEU 38 2HD2 LEU 38 -15.331 10.400 4.083 330 3HD2 LEU 38 3HD2 LEU 38 -14.336 11.813 3.731 331 H CYS 39 H CYS 39 -15.684 12.177 -0.871 332 HA CYS 39 HA CYS 39 -18.320 11.354 -0.252 333 1HB CYS 39 2HB CYS 39 -17.212 13.716 -0.959 334 2HB CYS 39 1HB CYS 39 -17.944 13.254 -2.491 335 HG CYS 39 HG CYS 39 -19.417 14.456 -0.241 336 H ALA 40 H ALA 40 -16.274 10.991 -3.075 337 HA ALA 40 HA ALA 40 -18.208 10.202 -4.941 338 1HB ALA 40 1HB ALA 40 -16.074 8.817 -5.789 339 2HB ALA 40 2HB ALA 40 -15.276 9.939 -4.686 340 3HB ALA 40 3HB ALA 40 -16.252 10.556 -6.019 341 H LEU 41 H LEU 41 -16.313 8.298 -2.621 342 HA LEU 41 HA LEU 41 -17.294 5.774 -3.443 343 1HB LEU 41 2HB LEU 41 -15.743 6.843 -1.170 344 2HB LEU 41 1HB LEU 41 -16.631 5.366 -0.842 345 HG LEU 41 HG LEU 41 -15.484 4.540 -3.060 346 1HD1 LEU 41 1HD1 LEU 41 -14.466 7.023 -3.104 347 2HD1 LEU 41 2HD1 LEU 41 -13.648 5.623 -3.798 348 3HD1 LEU 41 3HD1 LEU 41 -13.204 6.196 -2.192 349 1HD2 LEU 41 1HD2 LEU 41 -14.125 3.301 -1.734 350 2HD2 LEU 41 2HD2 LEU 41 -15.142 3.992 -0.470 351 3HD2 LEU 41 3HD2 LEU 41 -13.564 4.697 -0.813 352 H VAL 42 H VAL 42 -18.180 7.856 -0.687 353 HA VAL 42 HA VAL 42 -20.244 6.260 0.311 354 HB VAL 42 HB VAL 42 -20.247 9.272 0.419 355 1HG1 VAL 42 1HG1 VAL 42 -21.096 7.350 2.561 356 2HG1 VAL 42 2HG1 VAL 42 -22.195 7.844 1.273 357 3HG1 VAL 42 3HG1 VAL 42 -21.521 9.051 2.366 358 1HG2 VAL 42 1HG2 VAL 42 -19.037 8.294 2.741 359 2HG2 VAL 42 2HG2 VAL 42 -18.272 9.208 1.443 360 3HG2 VAL 42 3HG2 VAL 42 -18.251 7.445 1.411 361 H TYR 43 H TYR 43 -20.380 8.966 -1.993 362 HA TYR 43 HA TYR 43 -23.128 9.058 -2.380 363 1HB TYR 43 2HB TYR 43 -21.534 10.732 -3.259 364 2HB TYR 43 1HB TYR 43 -20.974 9.560 -4.446 365 HD1 TYR 43 1HD TYR 43 -23.794 11.701 -3.441 366 HD2 TYR 43 2HD TYR 43 -22.257 9.084 -6.420 367 HE1 TYR 43 1HE TYR 43 -25.546 12.451 -4.995 368 HE2 TYR 43 2HE TYR 43 -24.004 9.826 -7.981 369 HH TYR 43 HH TYR 43 -25.453 11.927 -8.261 370 H ARG 44 H ARG 44 -20.708 6.961 -3.849 371 HA ARG 44 HA ARG 44 -22.345 5.809 -5.824 372 1HB ARG 44 2HB ARG 44 -19.729 5.646 -5.281 373 2HB ARG 44 1HB ARG 44 -20.249 4.138 -4.540 374 1HG ARG 44 2HG ARG 44 -21.392 4.490 -7.176 375 2HG ARG 44 1HG ARG 44 -19.630 4.552 -7.204 376 1HD ARG 44 2HD ARG 44 -20.018 2.440 -5.569 377 2HD ARG 44 1HD ARG 44 -21.443 2.309 -6.599 378 HE ARG 44 HE ARG 44 -19.035 2.689 -8.094 379 1HH1 ARG 44 1HH1 ARG 44 -20.997 0.307 -6.464 380 2HH1 ARG 44 2HH1 ARG 44 -20.413 -1.011 -7.421 381 1HH2 ARG 44 1HH2 ARG 44 -18.266 0.955 -9.355 382 2HH2 ARG 44 2HH2 ARG 44 -18.862 -0.644 -9.063 383 H LEU 45 H LEU 45 -21.678 4.872 -2.475 384 HA LEU 45 HA LEU 45 -23.346 2.537 -2.606 385 1HB LEU 45 2HB LEU 45 -21.824 3.954 -0.462 386 2HB LEU 45 1HB LEU 45 -23.061 2.800 -0.001 387 HG LEU 45 HG LEU 45 -20.772 1.841 -0.060 388 1HD1 LEU 45 1HD1 LEU 45 -22.751 0.702 -2.027 389 2HD1 LEU 45 2HD1 LEU 45 -22.678 0.378 -0.296 390 3HD1 LEU 45 3HD1 LEU 45 -21.376 -0.170 -1.350 391 1HD2 LEU 45 1HD2 LEU 45 -20.130 3.259 -2.091 392 2HD2 LEU 45 2HD2 LEU 45 -20.936 2.017 -3.051 393 3HD2 LEU 45 3HD2 LEU 45 -19.554 1.593 -2.041 394 H GLN 46 H GLN 46 -23.704 5.866 -1.594 395 HA GLN 46 HA GLN 46 -26.585 5.542 -1.522 396 1HB GLN 46 2HB GLN 46 -24.937 5.916 0.889 397 2HB GLN 46 1HB GLN 46 -26.278 7.042 0.743 398 1HG GLN 46 2HG GLN 46 -26.877 4.192 0.256 399 2HG GLN 46 1HG GLN 46 -26.495 4.659 1.912 400 1HE2 GLN 46 1HE2 GLN 46 -28.414 5.882 -0.814 401 2HE2 GLN 46 2HE2 GLN 46 -29.808 6.280 0.124 402 HA PRO 47 HA PRO 47 -25.146 9.503 -3.410 403 1HB PRO 47 2HB PRO 47 -26.906 9.459 -5.471 404 2HB PRO 47 1HB PRO 47 -25.351 8.622 -5.521 405 1HG PRO 47 2HG PRO 47 -28.072 7.525 -4.932 406 2HG PRO 47 1HG PRO 47 -26.785 6.840 -5.942 407 1HD PRO 47 2HD PRO 47 -27.258 5.995 -3.412 408 2HD PRO 47 1HD PRO 47 -25.633 6.006 -4.127 409 H GLY 48 H GLY 48 -28.431 8.314 -2.885 410 1HA GLY 48 2HA GLY 48 -29.719 10.823 -2.928 411 2HA GLY 48 1HA GLY 48 -30.339 9.368 -2.162 412 H LEU 49 H LEU 49 -27.952 9.149 -0.426 413 HA LEU 49 HA LEU 49 -28.842 11.060 1.595 414 1HB LEU 49 2HB LEU 49 -27.317 8.484 1.668 415 2HB LEU 49 1HB LEU 49 -27.249 9.585 3.031 416 HG LEU 49 HG LEU 49 -28.938 7.709 3.187 417 1HD1 LEU 49 1HD1 LEU 49 -29.053 9.616 4.657 418 2HD1 LEU 49 2HD1 LEU 49 -30.682 9.167 4.149 419 3HD1 LEU 49 3HD1 LEU 49 -29.884 10.560 3.420 420 1HD2 LEU 49 1HD2 LEU 49 -30.712 9.368 1.455 421 2HD2 LEU 49 2HD2 LEU 49 -30.840 7.665 1.895 422 3HD2 LEU 49 3HD2 LEU 49 -29.636 8.181 0.715 423 H LEU 50 H LEU 50 -27.005 11.752 -0.699 424 HA LEU 50 HA LEU 50 -25.098 13.226 0.901 425 1HB LEU 50 2HB LEU 50 -24.296 11.034 -0.966 426 2HB LEU 50 1HB LEU 50 -23.263 12.440 -0.799 427 HG LEU 50 HG LEU 50 -23.717 11.754 1.820 428 1HD1 LEU 50 1HD1 LEU 50 -23.457 9.395 2.058 429 2HD1 LEU 50 2HD1 LEU 50 -23.313 9.179 0.313 430 3HD1 LEU 50 3HD1 LEU 50 -24.851 9.682 1.015 431 1HD2 LEU 50 1HD2 LEU 50 -21.583 12.388 0.783 432 2HD2 LEU 50 2HD2 LEU 50 -21.476 10.788 0.048 433 3HD2 LEU 50 3HD2 LEU 50 -21.425 10.957 1.802 434 H GLU 51 H GLU 51 -23.605 14.524 -0.690 435 HA GLU 51 HA GLU 51 -24.831 15.221 -3.205 436 1HB GLU 51 2HB GLU 51 -25.102 16.950 -0.783 437 2HB GLU 51 1HB GLU 51 -24.868 17.722 -2.345 438 1HG GLU 51 2HG GLU 51 -27.098 15.860 -1.568 439 2HG GLU 51 1HG GLU 51 -27.212 17.595 -1.849 440 HA PRO 52 HA PRO 52 -20.136 15.649 -2.599 441 1HB PRO 52 2HB PRO 52 -19.715 14.439 -5.081 442 2HB PRO 52 1HB PRO 52 -19.574 13.649 -3.510 443 1HG PRO 52 2HG PRO 52 -21.848 13.640 -5.441 444 2HG PRO 52 1HG PRO 52 -21.245 12.331 -4.407 445 1HD PRO 52 2HD PRO 52 -23.469 13.671 -3.779 446 2HD PRO 52 1HD PRO 52 -22.325 13.157 -2.520 447 H SER 53 H SER 53 -22.317 16.154 -5.334 448 HA SER 53 HA SER 53 -20.716 17.784 -6.911 449 1HB SER 53 2HB SER 53 -22.732 18.533 -7.972 450 2HB SER 53 1HB SER 53 -22.980 16.846 -7.514 451 HG SER 53 HG SER 53 -24.139 17.579 -5.699 452 H GLU 54 H GLU 54 -22.865 18.664 -4.245 453 HA GLU 54 HA GLU 54 -22.356 21.460 -4.438 454 1HB GLU 54 2HB GLU 54 -23.679 19.679 -2.428 455 2HB GLU 54 1HB GLU 54 -23.299 21.338 -1.992 456 1HG GLU 54 2HG GLU 54 -24.511 21.804 -4.313 457 2HG GLU 54 1HG GLU 54 -25.300 20.284 -3.894 458 H LEU 55 H LEU 55 -21.219 18.942 -2.190 459 HA LEU 55 HA LEU 55 -19.490 20.650 -0.735 460 1HB LEU 55 2HB LEU 55 -19.205 17.669 -1.043 461 2HB LEU 55 1HB LEU 55 -18.643 18.664 0.285 462 HG LEU 55 HG LEU 55 -21.560 18.694 -0.227 463 1HD1 LEU 55 1HD1 LEU 55 -21.056 16.334 -0.543 464 2HD1 LEU 55 2HD1 LEU 55 -21.901 16.598 0.982 465 3HD1 LEU 55 3HD1 LEU 55 -20.161 16.309 0.975 466 1HD2 LEU 55 1HD2 LEU 55 -20.624 19.983 1.589 467 2HD2 LEU 55 2HD2 LEU 55 -19.833 18.548 2.241 468 3HD2 LEU 55 3HD2 LEU 55 -21.593 18.661 2.241 469 H GLN 56 H GLN 56 -19.215 19.291 -3.825 470 HA GLN 56 HA GLN 56 -16.475 18.781 -4.010 471 1HB GLN 56 2HB GLN 56 -18.047 18.060 -5.724 472 2HB GLN 56 1HB GLN 56 -18.405 19.732 -6.131 473 1HG GLN 56 2HG GLN 56 -15.932 19.944 -6.704 474 2HG GLN 56 1HG GLN 56 -15.890 18.183 -6.634 475 1HE2 GLN 56 1HE2 GLN 56 -17.705 20.844 -8.108 476 2HE2 GLN 56 2HE2 GLN 56 -17.978 20.052 -9.619 477 H GLY 57 H GLY 57 -18.287 21.776 -4.430 478 1HA GLY 57 2HA GLY 57 -15.699 23.186 -4.641 479 2HA GLY 57 1HA GLY 57 -17.178 23.753 -5.403 480 H LEU 58 H LEU 58 -18.557 22.825 -2.777 481 HA LEU 58 HA LEU 58 -18.857 25.318 -1.611 482 1HB LEU 58 2HB LEU 58 -19.668 22.611 -1.036 483 2HB LEU 58 1HB LEU 58 -19.263 23.452 0.447 484 HG LEU 58 HG LEU 58 -20.796 25.333 -0.586 485 1HD1 LEU 58 1HD1 LEU 58 -22.540 24.574 -1.967 486 2HD1 LEU 58 2HD1 LEU 58 -22.089 22.883 -1.747 487 3HD1 LEU 58 3HD1 LEU 58 -21.061 23.954 -2.699 488 1HD2 LEU 58 1HD2 LEU 58 -22.318 23.009 0.462 489 2HD2 LEU 58 2HD2 LEU 58 -22.374 24.707 0.935 490 3HD2 LEU 58 3HD2 LEU 58 -21.040 23.686 1.471 491 H GLY 59 H GLY 59 -16.434 22.869 -1.061 492 1HA GLY 59 2HA GLY 59 -14.412 24.347 -0.129 493 2HA GLY 59 1HA GLY 59 -15.412 24.215 1.310 494 H ALA 60 H ALA 60 -12.750 23.237 1.023 495 HA ALA 60 HA ALA 60 -12.836 20.402 0.605 496 1HB ALA 60 1HB ALA 60 -10.752 21.295 0.134 497 2HB ALA 60 2HB ALA 60 -10.508 20.592 1.733 498 3HB ALA 60 3HB ALA 60 -10.758 22.329 1.562 499 H LEU 61 H LEU 61 -12.301 22.428 3.493 500 HA LEU 61 HA LEU 61 -12.344 20.351 5.363 501 1HB LEU 61 2HB LEU 61 -12.721 23.294 5.460 502 2HB LEU 61 1HB LEU 61 -13.257 22.374 6.853 503 HG LEU 61 HG LEU 61 -10.760 21.346 6.479 504 1HD1 LEU 61 1HD1 LEU 61 -10.416 23.067 4.670 505 2HD1 LEU 61 2HD1 LEU 61 -9.216 23.059 5.962 506 3HD1 LEU 61 3HD1 LEU 61 -10.479 24.290 5.938 507 1HD2 LEU 61 1HD2 LEU 61 -11.815 22.161 8.573 508 2HD2 LEU 61 2HD2 LEU 61 -11.400 23.809 8.097 509 3HD2 LEU 61 3HD2 LEU 61 -10.124 22.632 8.407 510 H GLU 62 H GLU 62 -14.954 22.251 3.958 511 HA GLU 62 HA GLU 62 -16.992 21.278 5.684 512 1HB GLU 62 2HB GLU 62 -16.874 22.857 3.175 513 2HB GLU 62 1HB GLU 62 -18.388 22.028 3.511 514 1HG GLU 62 2HG GLU 62 -18.579 23.158 5.636 515 2HG GLU 62 1HG GLU 62 -17.010 23.927 5.395 516 H ALA 63 H ALA 63 -15.918 20.356 2.426 517 HA ALA 63 HA ALA 63 -17.866 18.370 1.988 518 1HB ALA 63 1HB ALA 63 -16.306 19.456 0.295 519 2HB ALA 63 2HB ALA 63 -16.607 17.727 0.116 520 3HB ALA 63 3HB ALA 63 -15.097 18.290 0.832 521 H THR 64 H THR 64 -14.584 18.199 3.324 522 HA THR 64 HA THR 64 -14.553 15.385 3.641 523 HB THR 64 HB THR 64 -12.508 16.770 3.585 524 HG1 THR 64 1HG THR 64 -12.605 14.681 4.677 525 1HG2 THR 64 1HG2 THR 64 -13.297 18.656 4.955 526 2HG2 THR 64 2HG2 THR 64 -11.756 17.998 5.504 527 3HG2 THR 64 3HG2 THR 64 -13.241 17.614 6.375 528 H ALA 65 H ALA 65 -15.234 18.033 5.916 529 HA ALA 65 HA ALA 65 -15.716 16.368 8.148 530 1HB ALA 65 1HB ALA 65 -15.210 18.645 8.559 531 2HB ALA 65 2HB ALA 65 -16.881 18.406 9.068 532 3HB ALA 65 3HB ALA 65 -16.533 19.197 7.531 533 H TRP 66 H TRP 66 -17.885 17.813 5.741 534 HA TRP 66 HA TRP 66 -20.283 16.882 6.922 535 1HB TRP 66 2HB TRP 66 -19.958 18.714 5.129 536 2HB TRP 66 1HB TRP 66 -19.960 17.386 3.973 537 HD1 TRP 66 HD TRP 66 -22.262 19.330 6.309 538 HE1 TRP 66 1HE TRP 66 -24.704 18.729 5.759 539 HE3 TRP 66 3HE TRP 66 -21.438 15.492 3.032 540 HZ2 TRP 66 2HZ TRP 66 -26.095 16.875 4.148 541 HZ3 TRP 66 3HZ TRP 66 -23.378 14.358 2.032 542 HH2 TRP 66 HH TRP 66 -25.658 15.037 2.580 543 H ALA 67 H ALA 67 -18.151 15.567 4.429 544 HA ALA 67 HA ALA 67 -19.795 13.327 3.817 545 1HB ALA 67 1HB ALA 67 -17.831 12.471 2.629 546 2HB ALA 67 2HB ALA 67 -16.843 13.738 3.355 547 3HB ALA 67 3HB ALA 67 -18.141 14.163 2.239 548 H LEU 68 H LEU 68 -17.121 13.874 6.049 549 HA LEU 68 HA LEU 68 -16.735 11.180 6.798 550 1HB LEU 68 2HB LEU 68 -15.963 13.834 7.877 551 2HB LEU 68 1HB LEU 68 -15.910 12.482 8.993 552 HG LEU 68 HG LEU 68 -14.423 12.647 6.371 553 1HD1 LEU 68 1HD1 LEU 68 -12.438 12.629 7.961 554 2HD1 LEU 68 2HD1 LEU 68 -13.591 13.057 9.226 555 3HD1 LEU 68 3HD1 LEU 68 -13.359 14.130 7.846 556 1HD2 LEU 68 1HD2 LEU 68 -14.895 10.468 8.313 557 2HD2 LEU 68 2HD2 LEU 68 -13.251 10.646 7.701 558 3HD2 LEU 68 3HD2 LEU 68 -14.588 10.399 6.577 559 H LYS 69 H LYS 69 -18.789 13.748 8.104 560 HA LYS 69 HA LYS 69 -19.700 12.247 10.342 561 1HB LYS 69 2HB LYS 69 -20.768 14.704 8.958 562 2HB LYS 69 1HB LYS 69 -21.538 14.004 10.376 563 1HG LYS 69 2HG LYS 69 -19.271 14.243 11.517 564 2HG LYS 69 1HG LYS 69 -18.834 15.281 10.158 565 1HD LYS 69 2HD LYS 69 -21.242 16.320 10.857 566 2HD LYS 69 1HD LYS 69 -20.635 15.789 12.426 567 1HE LYS 69 2HE LYS 69 -19.378 17.618 12.517 568 2HE LYS 69 1HE LYS 69 -18.482 17.041 11.114 569 1HZ LYS 69 1HZ LYS 69 -21.034 18.494 10.804 570 2HZ LYS 69 2HZ LYS 69 -19.795 18.282 9.673 571 3HZ LYS 69 3HZ LYS 69 -19.573 19.327 10.984 572 H VAL 70 H VAL 70 -21.142 12.978 7.171 573 HA VAL 70 HA VAL 70 -23.503 11.469 7.621 574 HB VAL 70 HB VAL 70 -23.858 11.637 5.184 575 1HG1 VAL 70 1HG1 VAL 70 -23.417 14.292 5.191 576 2HG1 VAL 70 2HG1 VAL 70 -23.271 13.952 6.915 577 3HG1 VAL 70 3HG1 VAL 70 -24.748 13.521 6.055 578 1HG2 VAL 70 1HG2 VAL 70 -22.064 13.218 4.062 579 2HG2 VAL 70 2HG2 VAL 70 -21.859 11.467 4.084 580 3HG2 VAL 70 3HG2 VAL 70 -21.002 12.468 5.254 581 H ALA 71 H ALA 71 -20.421 10.729 6.033 582 HA ALA 71 HA ALA 71 -21.057 8.232 4.980 583 1HB ALA 71 1HB ALA 71 -18.426 9.188 6.109 584 2HB ALA 71 2HB ALA 71 -18.975 9.346 4.440 585 3HB ALA 71 3HB ALA 71 -18.638 7.750 5.110 586 H GLU 72 H GLU 72 -19.900 9.122 8.196 587 HA GLU 72 HA GLU 72 -19.795 6.466 9.205 588 1HB GLU 72 2HB GLU 72 -18.490 8.226 10.247 589 2HB GLU 72 1HB GLU 72 -19.947 9.135 10.618 590 1HG GLU 72 2HG GLU 72 -20.648 7.132 12.021 591 2HG GLU 72 1HG GLU 72 -18.986 6.574 11.844 592 H ASN 73 H ASN 73 -22.236 9.002 9.162 593 HA ASN 73 HA ASN 73 -24.048 7.693 10.916 594 1HB ASN 73 2HB ASN 73 -24.100 10.124 10.492 595 2HB ASN 73 1HB ASN 73 -24.605 9.812 8.835 596 1HD2 ASN 73 1HD2 ASN 73 -25.559 8.611 12.038 597 2HD2 ASN 73 2HD2 ASN 73 -27.251 8.889 11.826 598 H GLU 74 H GLU 74 -23.731 7.827 7.399 599 HA GLU 74 HA GLU 74 -26.080 6.221 6.966 600 1HB GLU 74 2HB GLU 74 -24.808 8.033 5.435 601 2HB GLU 74 1HB GLU 74 -24.109 6.556 4.782 602 1HG GLU 74 2HG GLU 74 -27.027 7.277 4.922 603 2HG GLU 74 1HG GLU 74 -26.021 7.163 3.478 604 H LEU 75 H LEU 75 -22.575 5.707 6.787 605 HA LEU 75 HA LEU 75 -22.975 2.914 6.080 606 1HB LEU 75 2HB LEU 75 -21.151 4.548 5.184 607 2HB LEU 75 1HB LEU 75 -20.306 4.127 6.662 608 HG LEU 75 HG LEU 75 -21.278 2.025 4.742 609 1HD1 LEU 75 1HD1 LEU 75 -19.552 3.909 3.924 610 2HD1 LEU 75 2HD1 LEU 75 -19.474 2.225 3.403 611 3HD1 LEU 75 3HD1 LEU 75 -18.431 2.795 4.707 612 1HD2 LEU 75 1HD2 LEU 75 -19.601 2.125 7.176 613 2HD2 LEU 75 2HD2 LEU 75 -19.082 1.030 5.895 614 3HD2 LEU 75 3HD2 LEU 75 -20.691 0.865 6.598 615 H GLY 76 H GLY 76 -21.941 4.824 8.850 616 1HA GLY 76 2HA GLY 76 -21.968 4.148 11.087 617 2HA GLY 76 1HA GLY 76 -22.316 2.511 10.556 618 H ILE 77 H ILE 77 -19.636 4.475 9.411 619 HA ILE 77 HA ILE 77 -17.792 2.540 10.650 620 HB ILE 77 HB ILE 77 -17.752 2.534 8.192 621 1HG1 ILE 77 2HG1 ILE 77 -15.146 3.785 8.716 622 2HG1 ILE 77 1HG1 ILE 77 -15.602 2.567 9.901 623 1HG2 ILE 77 1HG2 ILE 77 -16.805 5.386 8.418 624 2HG2 ILE 77 2HG2 ILE 77 -18.402 4.885 7.864 625 3HG2 ILE 77 3HG2 ILE 77 -16.969 4.445 6.935 626 1HD1 ILE 77 1HD1 ILE 77 -16.178 1.229 7.662 627 2HD1 ILE 77 2HD1 ILE 77 -14.588 1.206 8.424 628 3HD1 ILE 77 3HD1 ILE 77 -14.895 2.276 7.057 629 H THR 78 H THR 78 -16.367 3.239 12.108 630 HA THR 78 HA THR 78 -16.403 5.964 12.965 631 HB THR 78 HB THR 78 -14.337 3.980 13.854 632 HG1 THR 78 1HG THR 78 -17.102 3.943 14.431 633 1HG2 THR 78 1HG2 THR 78 -15.567 6.405 14.943 634 2HG2 THR 78 2HG2 THR 78 -13.978 5.699 15.235 635 3HG2 THR 78 3HG2 THR 78 -15.390 5.072 16.083 636 HA PRO 79 HA PRO 79 -13.332 7.491 10.090 637 1HB PRO 79 2HB PRO 79 -12.997 9.559 12.201 638 2HB PRO 79 1HB PRO 79 -13.309 9.755 10.473 639 1HG PRO 79 2HG PRO 79 -15.243 10.164 12.258 640 2HG PRO 79 1HG PRO 79 -15.585 9.378 10.705 641 1HD PRO 79 2HD PRO 79 -15.307 8.168 13.423 642 2HD PRO 79 1HD PRO 79 -16.419 7.744 12.106 643 H VAL 80 H VAL 80 -11.067 7.722 9.986 644 HA VAL 80 HA VAL 80 -9.606 6.876 12.402 645 HB VAL 80 HB VAL 80 -8.893 6.039 9.593 646 1HG1 VAL 80 1HG1 VAL 80 -7.713 5.621 12.282 647 2HG1 VAL 80 2HG1 VAL 80 -6.927 5.814 10.715 648 3HG1 VAL 80 3HG1 VAL 80 -7.664 4.270 11.148 649 1HG2 VAL 80 1HG2 VAL 80 -9.775 3.851 10.121 650 2HG2 VAL 80 2HG2 VAL 80 -11.045 5.060 10.312 651 3HG2 VAL 80 3HG2 VAL 80 -10.241 4.396 11.733 652 H VAL 81 H VAL 81 -10.015 9.333 10.234 653 HA VAL 81 HA VAL 81 -7.395 10.442 10.889 654 HB VAL 81 HB VAL 81 -8.444 10.520 8.060 655 1HG1 VAL 81 1HG1 VAL 81 -7.099 12.374 8.259 656 2HG1 VAL 81 2HG1 VAL 81 -5.925 11.156 7.758 657 3HG1 VAL 81 3HG1 VAL 81 -6.048 11.617 9.456 658 1HG2 VAL 81 1HG2 VAL 81 -6.570 8.630 9.411 659 2HG2 VAL 81 2HG2 VAL 81 -6.303 9.060 7.721 660 3HG2 VAL 81 3HG2 VAL 81 -7.821 8.308 8.208 661 H SER 82 H SER 82 -7.280 12.776 10.552 662 HA SER 82 HA SER 82 -9.804 14.031 11.206 663 1HB SER 82 2HB SER 82 -6.931 14.824 11.303 664 2HB SER 82 1HB SER 82 -8.132 16.108 11.188 665 HG SER 82 HG SER 82 -8.018 15.796 13.313 666 H ALA 83 H ALA 83 -10.551 15.978 10.130 667 HA ALA 83 HA ALA 83 -10.750 15.650 7.335 668 1HB ALA 83 1HB ALA 83 -12.595 16.734 8.074 669 2HB ALA 83 2HB ALA 83 -11.642 18.155 7.648 670 3HB ALA 83 3HB ALA 83 -11.713 17.610 9.324 671 H GLN 84 H GLN 84 -8.900 17.923 9.329 672 HA GLN 84 HA GLN 84 -7.857 19.450 7.204 673 1HB GLN 84 2HB GLN 84 -6.218 20.259 8.831 674 2HB GLN 84 1HB GLN 84 -7.834 20.234 9.521 675 1HG GLN 84 2HG GLN 84 -6.929 19.171 11.245 676 2HG GLN 84 1HG GLN 84 -6.834 17.761 10.190 677 1HE2 GLN 84 1HE2 GLN 84 -5.084 20.385 11.642 678 2HE2 GLN 84 2HE2 GLN 84 -3.499 19.791 11.294 679 H ALA 85 H ALA 85 -6.818 16.452 8.692 680 HA ALA 85 HA ALA 85 -4.220 16.382 7.562 681 1HB ALA 85 1HB ALA 85 -5.889 14.021 8.405 682 2HB ALA 85 2HB ALA 85 -4.978 15.039 9.520 683 3HB ALA 85 3HB ALA 85 -4.132 14.106 8.285 684 H VAL 86 H VAL 86 -7.307 14.930 6.556 685 HA VAL 86 HA VAL 86 -6.287 13.596 4.294 686 HB VAL 86 HB VAL 86 -8.663 13.572 3.492 687 1HG1 VAL 86 1HG1 VAL 86 -9.352 11.965 5.054 688 2HG1 VAL 86 2HG1 VAL 86 -8.490 12.751 6.375 689 3HG1 VAL 86 3HG1 VAL 86 -7.590 11.917 5.107 690 1HG2 VAL 86 1HG2 VAL 86 -9.222 15.000 6.091 691 2HG2 VAL 86 2HG2 VAL 86 -10.411 14.424 4.923 692 3HG2 VAL 86 3HG2 VAL 86 -9.319 15.738 4.492 693 H VAL 87 H VAL 87 -7.675 16.828 4.698 694 HA VAL 87 HA VAL 87 -7.677 17.472 1.929 695 HB VAL 87 HB VAL 87 -7.651 19.331 4.314 696 1HG1 VAL 87 1HG1 VAL 87 -6.989 20.501 2.304 697 2HG1 VAL 87 2HG1 VAL 87 -8.629 20.971 2.747 698 3HG1 VAL 87 3HG1 VAL 87 -8.365 19.833 1.426 699 1HG2 VAL 87 1HG2 VAL 87 -9.539 17.664 4.177 700 2HG2 VAL 87 2HG2 VAL 87 -10.026 18.462 2.682 701 3HG2 VAL 87 3HG2 VAL 87 -10.017 19.360 4.200 702 H ALA 88 H ALA 88 -5.319 17.758 4.501 703 HA ALA 88 HA ALA 88 -3.515 19.332 2.856 704 1HB ALA 88 1HB ALA 88 -2.097 19.439 4.791 705 2HB ALA 88 2HB ALA 88 -3.040 18.191 5.604 706 3HB ALA 88 3HB ALA 88 -3.757 19.770 5.284 707 H GLY 89 H GLY 89 -4.180 16.041 3.379 708 1HA GLY 89 2HA GLY 89 -3.127 14.120 2.699 709 2HA GLY 89 1HA GLY 89 -2.240 15.140 1.577 710 H SER 90 H SER 90 -2.099 15.537 5.055 711 HA SER 90 HA SER 90 0.757 14.904 4.949 712 1HB SER 90 2HB SER 90 -0.942 16.655 6.646 713 2HB SER 90 1HB SER 90 0.458 15.911 7.420 714 HG SER 90 HG SER 90 0.354 17.757 5.313 715 H ASP 91 H ASP 91 -1.252 12.807 4.958 716 HA ASP 91 HA ASP 91 -0.173 11.236 7.115 717 1HB ASP 91 2HB ASP 91 -2.904 12.355 7.244 718 2HB ASP 91 1HB ASP 91 -2.782 10.632 7.591 719 HA PRO 92 HA PRO 92 -1.089 8.996 3.128 720 1HB PRO 92 2HB PRO 92 1.222 7.516 3.266 721 2HB PRO 92 1HB PRO 92 1.087 9.069 2.437 722 1HG PRO 92 2HG PRO 92 2.144 8.463 5.168 723 2HG PRO 92 1HG PRO 92 2.779 9.576 3.942 724 1HD PRO 92 2HD PRO 92 1.367 10.459 6.049 725 2HD PRO 92 1HD PRO 92 1.228 11.222 4.450 726 H LEU 93 H LEU 93 0.326 7.734 6.138 727 HA LEU 93 HA LEU 93 -0.559 5.081 5.821 728 1HB LEU 93 2HB LEU 93 0.443 6.740 8.071 729 2HB LEU 93 1HB LEU 93 -0.412 5.265 8.484 730 HG LEU 93 HG LEU 93 1.989 5.366 6.658 731 1HD1 LEU 93 1HD1 LEU 93 1.736 5.117 9.608 732 2HD1 LEU 93 2HD1 LEU 93 2.995 5.881 8.637 733 3HD1 LEU 93 3HD1 LEU 93 2.940 4.124 8.786 734 1HD2 LEU 93 1HD2 LEU 93 1.170 2.905 8.064 735 2HD2 LEU 93 2HD2 LEU 93 1.815 3.125 6.438 736 3HD2 LEU 93 3HD2 LEU 93 0.111 3.447 6.761 737 H GLY 94 H GLY 94 -2.051 7.911 7.316 738 1HA GLY 94 2HA GLY 94 -4.248 6.561 8.478 739 2HA GLY 94 1HA GLY 94 -4.176 8.277 8.107 740 H LEU 95 H LEU 95 -3.868 8.197 5.351 741 HA LEU 95 HA LEU 95 -6.516 7.931 4.484 742 1HB LEU 95 2HB LEU 95 -4.629 9.313 3.467 743 2HB LEU 95 1HB LEU 95 -4.114 7.835 2.675 744 HG LEU 95 HG LEU 95 -6.591 7.783 1.806 745 1HD1 LEU 95 1HD1 LEU 95 -6.212 10.746 2.150 746 2HD1 LEU 95 2HD1 LEU 95 -7.190 9.765 3.244 747 3HD1 LEU 95 3HD1 LEU 95 -7.629 9.891 1.540 748 1HD2 LEU 95 1HD2 LEU 95 -4.189 9.206 0.838 749 2HD2 LEU 95 2HD2 LEU 95 -5.705 9.560 0.012 750 3HD2 LEU 95 3HD2 LEU 95 -5.114 7.901 0.096 751 H ILE 96 H ILE 96 -3.734 5.772 4.121 752 HA ILE 96 HA ILE 96 -5.053 3.857 2.499 753 HB ILE 96 HB ILE 96 -2.712 3.375 4.344 754 1HG1 ILE 96 2HG1 ILE 96 -2.430 3.963 1.421 755 2HG1 ILE 96 1HG1 ILE 96 -2.619 5.301 2.550 756 1HG2 ILE 96 1HG2 ILE 96 -2.192 1.516 2.950 757 2HG2 ILE 96 2HG2 ILE 96 -3.443 1.960 1.789 758 3HG2 ILE 96 3HG2 ILE 96 -3.892 1.383 3.394 759 1HD1 ILE 96 1HD1 ILE 96 -0.464 5.209 3.012 760 2HD1 ILE 96 2HD1 ILE 96 -0.280 3.859 1.892 761 3HD1 ILE 96 3HD1 ILE 96 -0.648 3.553 3.589 762 H ALA 97 H ALA 97 -4.571 4.151 5.991 763 HA ALA 97 HA ALA 97 -5.608 1.659 6.744 764 1HB ALA 97 1HB ALA 97 -5.976 2.709 8.957 765 2HB ALA 97 2HB ALA 97 -5.589 4.276 8.244 766 3HB ALA 97 3HB ALA 97 -4.364 3.008 8.306 767 H TYR 98 H TYR 98 -7.200 4.790 6.267 768 HA TYR 98 HA TYR 98 -9.775 3.913 7.078 769 1HB TYR 98 2HB TYR 98 -8.816 6.333 6.801 770 2HB TYR 98 1HB TYR 98 -9.376 6.167 5.141 771 HD1 TYR 98 1HD TYR 98 -10.919 4.972 8.318 772 HD2 TYR 98 2HD TYR 98 -11.225 7.566 4.960 773 HE1 TYR 98 1HE TYR 98 -13.185 5.612 9.026 774 HE2 TYR 98 2HE TYR 98 -13.491 8.216 5.660 775 HH TYR 98 HH TYR 98 -14.700 8.119 8.304 776 H LEU 99 H LEU 99 -8.141 4.140 3.955 777 HA LEU 99 HA LEU 99 -10.315 3.564 2.298 778 1HB LEU 99 2HB LEU 99 -7.367 3.384 2.073 779 2HB LEU 99 1HB LEU 99 -8.293 2.442 0.920 780 HG LEU 99 HG LEU 99 -9.087 5.280 1.244 781 1HD1 LEU 99 1HD1 LEU 99 -6.847 4.845 -0.618 782 2HD1 LEU 99 2HD1 LEU 99 -6.431 4.872 1.095 783 3HD1 LEU 99 3HD1 LEU 99 -7.254 6.251 0.365 784 1HD2 LEU 99 1HD2 LEU 99 -9.821 3.285 -0.421 785 2HD2 LEU 99 2HD2 LEU 99 -8.569 4.066 -1.386 786 3HD2 LEU 99 3HD2 LEU 99 -9.951 5.000 -0.815 787 H SER 100 H SER 100 -8.075 1.416 3.987 788 HA SER 100 HA SER 100 -8.919 -1.005 2.865 789 1HB SER 100 2HB SER 100 -6.893 -0.990 4.127 790 2HB SER 100 1HB SER 100 -7.710 -0.357 5.556 791 HG SER 100 HG SER 100 -7.449 -2.536 5.859 792 H HIS 101 H HIS 101 -10.181 0.882 5.551 793 HA HIS 101 HA HIS 101 -11.981 -1.063 6.535 794 1HB HIS 101 2HB HIS 101 -11.292 1.651 7.119 795 2HB HIS 101 1HB HIS 101 -13.043 1.533 7.009 796 HD1 HIS 101 1HD HIS 101 -13.040 -1.481 8.178 797 HD2 HIS 101 2HD HIS 101 -11.343 1.898 9.899 798 HE1 HIS 101 1HE HIS 101 -12.897 -1.981 10.638 799 HE2 HIS 101 2HE HIS 101 -11.773 0.038 11.644 800 H PHE 102 H PHE 102 -12.331 1.545 4.165 801 HA PHE 102 HA PHE 102 -15.098 1.269 3.738 802 1HB PHE 102 2HB PHE 102 -12.846 2.407 2.111 803 2HB PHE 102 1HB PHE 102 -14.462 2.288 1.427 804 HD1 PHE 102 1HD PHE 102 -16.260 3.027 3.483 805 HD2 PHE 102 2HD PHE 102 -12.373 4.568 2.693 806 HE1 PHE 102 1HE PHE 102 -16.880 5.141 4.579 807 HE2 PHE 102 2HE PHE 102 -12.985 6.686 3.788 808 HZ PHE 102 HZ PHE 102 -15.241 6.974 4.734 809 H HIS 103 H HIS 103 -12.320 -0.375 2.356 810 HA HIS 103 HA HIS 103 -13.651 -1.673 0.239 811 1HB HIS 103 2HB HIS 103 -11.078 -1.444 0.874 812 2HB HIS 103 1HB HIS 103 -11.367 -3.020 1.607 813 HD1 HIS 103 1HD HIS 103 -12.643 -4.749 -0.203 814 HD2 HIS 103 2HD HIS 103 -10.324 -1.646 -1.705 815 HE1 HIS 103 1HE HIS 103 -12.084 -5.410 -2.563 816 HE2 HIS 103 2HE HIS 103 -10.609 -3.558 -3.424 817 H SER 104 H SER 104 -13.058 -2.609 3.600 818 HA SER 104 HA SER 104 -13.969 -5.236 3.496 819 1HB SER 104 2HB SER 104 -13.982 -3.187 5.709 820 2HB SER 104 1HB SER 104 -14.560 -4.834 5.960 821 HG SER 104 HG SER 104 -12.570 -5.509 5.987 822 H ALA 105 H ALA 105 -15.772 -2.227 3.938 823 HA ALA 105 HA ALA 105 -18.291 -3.606 4.232 824 1HB ALA 105 1HB ALA 105 -17.362 -0.805 4.361 825 2HB ALA 105 2HB ALA 105 -18.472 -1.684 5.412 826 3HB ALA 105 3HB ALA 105 -19.036 -1.058 3.864 827 H PHE 106 H PHE 106 -16.622 -1.755 1.727 828 HA PHE 106 HA PHE 106 -18.751 -1.708 -0.128 829 1HB PHE 106 2HB PHE 106 -15.786 -1.313 -0.310 830 2HB PHE 106 1HB PHE 106 -16.739 -1.430 -1.785 831 HD1 PHE 106 1HD PHE 106 -17.793 0.135 1.402 832 HD2 PHE 106 2HD PHE 106 -16.530 0.747 -2.614 833 HE1 PHE 106 1HE PHE 106 -18.371 2.519 1.589 834 HE2 PHE 106 2HE PHE 106 -17.106 3.133 -2.437 835 HZ PHE 106 HZ PHE 106 -18.026 4.021 -0.333 836 H LYS 107 H LYS 107 -16.120 -3.988 0.443 837 HA LYS 107 HA LYS 107 -16.649 -5.595 -1.850 838 1HB LYS 107 2HB LYS 107 -14.516 -5.437 -0.332 839 2HB LYS 107 1HB LYS 107 -15.326 -6.682 0.608 840 1HG LYS 107 2HG LYS 107 -15.512 -8.014 -1.517 841 2HG LYS 107 1HG LYS 107 -14.445 -6.822 -2.262 842 1HD LYS 107 2HD LYS 107 -13.132 -7.468 0.073 843 2HD LYS 107 1HD LYS 107 -13.828 -9.009 -0.433 844 1HE LYS 107 2HE LYS 107 -12.486 -9.166 -2.238 845 2HE LYS 107 1HE LYS 107 -12.563 -7.436 -2.573 846 1HZ LYS 107 1HZ LYS 107 -10.821 -6.995 -1.166 847 2HZ LYS 107 2HZ LYS 107 -10.354 -8.500 -1.784 848 3HZ LYS 107 3HZ LYS 107 -11.046 -8.396 -0.245 849 H SER 108 H SER 108 -17.472 -5.896 1.593 850 HA SER 108 HA SER 108 -18.804 -8.355 1.429 851 1HB SER 108 2HB SER 108 -18.687 -6.118 3.366 852 2HB SER 108 1HB SER 108 -20.110 -7.155 3.475 853 HG SER 108 HG SER 108 -17.387 -7.868 3.730 854 H MET 109 H MET 109 -20.342 -5.153 1.767 855 HA MET 109 HA MET 109 -22.913 -6.022 1.069 856 1HB MET 109 2HB MET 109 -21.574 -3.472 1.543 857 2HB MET 109 1HB MET 109 -22.837 -3.352 0.327 858 1HG MET 109 2HG MET 109 -24.189 -3.040 2.074 859 2HG MET 109 1HG MET 109 -24.099 -4.793 2.242 860 1HE MET 109 1HE MET 109 -24.831 -3.231 5.083 861 2HE MET 109 2HE MET 109 -23.858 -4.455 5.898 862 3HE MET 109 3HE MET 109 -24.789 -4.881 4.462 Start of MODEL 15 1 1H MET -8 1HT MET -8 25.421 -16.902 -8.136 2 2H MET -8 2HT MET -8 24.131 -15.941 -7.539 3 3H MET -8 3HT MET -8 24.829 -15.591 -9.067 4 HA MET -8 HA MET -8 22.798 -16.647 -9.442 5 1HB MET -8 2HB MET -8 25.242 -18.376 -9.824 6 2HB MET -8 1HB MET -8 23.680 -18.789 -10.516 7 1HG MET -8 2HG MET -8 25.127 -16.206 -11.043 8 2HG MET -8 1HG MET -8 25.232 -17.632 -12.075 9 1HE MET -8 1HE MET -8 21.743 -14.813 -11.405 10 2HE MET -8 2HE MET -8 23.249 -14.198 -12.085 11 3HE MET -8 3HE MET -8 23.248 -14.966 -10.498 12 H GLY -7 H GLY -7 21.190 -17.968 -8.770 13 1HA GLY -7 2HA GLY -7 21.050 -20.365 -7.677 14 2HA GLY -7 1HA GLY -7 21.657 -19.459 -6.298 15 H HIS -6 H HIS -6 19.119 -20.891 -6.636 16 HA HIS -6 HA HIS -6 17.035 -18.967 -6.944 17 1HB HIS -6 2HB HIS -6 17.193 -21.817 -6.053 18 2HB HIS -6 1HB HIS -6 15.733 -20.900 -5.695 19 HD1 HIS -6 1HD HIS -6 17.794 -20.803 -8.882 20 HD2 HIS -6 2HD HIS -6 14.005 -21.877 -7.556 21 HE1 HIS -6 1HE HIS -6 16.493 -21.377 -10.957 22 HE2 HIS -6 2HE HIS -6 14.180 -21.946 -10.135 23 H HIS -5 H HIS -5 18.254 -17.455 -5.408 24 HA HIS -5 HA HIS -5 17.370 -17.945 -2.640 25 1HB HIS -5 2HB HIS -5 19.799 -16.604 -3.761 26 2HB HIS -5 1HB HIS -5 19.167 -16.066 -2.210 27 HD1 HIS -5 1HD HIS -5 21.004 -16.976 -0.737 28 HD2 HIS -5 2HD HIS -5 19.355 -19.859 -3.234 29 HE1 HIS -5 1HE HIS -5 21.953 -19.168 0.050 30 HE2 HIS -5 2HE HIS -5 20.872 -20.906 -1.419 31 H HIS -4 H HIS -4 15.526 -16.887 -2.296 32 HA HIS -4 HA HIS -4 13.987 -15.220 -2.161 33 1HB HIS -4 2HB HIS -4 16.559 -13.699 -2.328 34 2HB HIS -4 1HB HIS -4 15.036 -12.821 -2.404 35 HD1 HIS -4 1HD HIS -4 15.212 -11.700 -0.138 36 HD2 HIS -4 2HD HIS -4 15.579 -15.835 0.055 37 HE1 HIS -4 1HE HIS -4 15.118 -12.270 2.309 38 HE2 HIS -4 2HE HIS -4 15.254 -14.784 2.396 39 H HIS -3 H HIS -3 12.943 -13.412 -3.410 40 HA HIS -3 HA HIS -3 13.446 -13.757 -6.294 41 1HB HIS -3 2HB HIS -3 11.195 -14.554 -4.990 42 2HB HIS -3 1HB HIS -3 10.737 -12.923 -5.470 43 HD1 HIS -3 1HD HIS -3 12.735 -13.531 -8.143 44 HD2 HIS -3 2HD HIS -3 9.181 -15.320 -6.941 45 HE1 HIS -3 1HE HIS -3 11.764 -14.563 -10.220 46 HE2 HIS -3 2HE HIS -3 9.658 -15.714 -9.452 47 H HIS -2 H HIS -2 11.799 -11.837 -7.307 48 HA HIS -2 HA HIS -2 13.331 -9.488 -6.969 49 1HB HIS -2 2HB HIS -2 11.550 -10.421 -8.857 50 2HB HIS -2 1HB HIS -2 10.673 -9.078 -8.130 51 HD1 HIS -2 1HD HIS -2 11.292 -8.521 -10.901 52 HD2 HIS -2 2HD HIS -2 14.138 -7.889 -7.941 53 HE1 HIS -2 1HE HIS -2 12.928 -6.881 -11.880 54 HE2 HIS -2 2HE HIS -2 14.690 -6.582 -10.103 55 H HIS -1 H HIS -1 13.116 -7.807 -5.632 56 HA HIS -1 HA HIS -1 11.314 -7.912 -3.450 57 1HB HIS -1 2HB HIS -1 13.265 -5.861 -4.458 58 2HB HIS -1 1HB HIS -1 12.180 -5.481 -3.125 59 HD1 HIS -1 1HD HIS -1 12.295 -7.625 -1.218 60 HD2 HIS -1 2HD HIS -1 15.637 -6.699 -3.504 61 HE1 HIS -1 1HE HIS -1 14.255 -8.570 0.044 62 HE2 HIS -1 2HE HIS -1 16.275 -7.920 -1.316 63 H MET 0 H MET 0 9.193 -7.631 -3.701 64 HA MET 0 HA MET 0 8.244 -5.155 -4.893 65 1HB MET 0 2HB MET 0 8.273 -7.355 -6.487 66 2HB MET 0 1HB MET 0 6.684 -7.508 -5.751 67 1HG MET 0 2HG MET 0 6.226 -5.154 -6.462 68 2HG MET 0 1HG MET 0 7.739 -5.203 -7.365 69 1HE MET 0 1HE MET 0 5.609 -4.246 -8.650 70 2HE MET 0 2HE MET 0 4.498 -5.247 -9.584 71 3HE MET 0 3HE MET 0 6.147 -4.991 -10.155 72 H GLY 1 H GLY 1 6.908 -4.283 -3.463 73 1HA GLY 1 2HA GLY 1 4.753 -5.787 -2.305 74 2HA GLY 1 1HA GLY 1 5.998 -5.382 -1.133 75 H SER 2 H SER 2 6.660 -2.987 -1.204 76 HA SER 2 HA SER 2 4.411 -1.439 -0.542 77 1HB SER 2 2HB SER 2 6.973 -1.185 0.073 78 2HB SER 2 1HB SER 2 6.973 -0.109 -1.325 79 HG SER 2 HG SER 2 6.506 1.059 0.549 80 H ALA 3 H ALA 3 6.428 -1.525 -3.452 81 HA ALA 3 HA ALA 3 4.700 0.447 -4.741 82 1HB ALA 3 1HB ALA 3 6.423 0.926 -6.116 83 2HB ALA 3 2HB ALA 3 6.906 -0.763 -6.277 84 3HB ALA 3 3HB ALA 3 7.375 0.156 -4.846 85 H GLY 4 H GLY 4 4.062 -2.510 -4.129 86 1HA GLY 4 2HA GLY 4 3.249 -3.214 -6.882 87 2HA GLY 4 1HA GLY 4 3.707 -4.415 -5.683 88 H THR 5 H THR 5 2.327 -3.193 -3.478 89 HA THR 5 HA THR 5 -0.343 -4.148 -4.089 90 HB THR 5 HB THR 5 -0.728 -4.012 -1.682 91 HG1 THR 5 1HG THR 5 0.506 -2.133 -1.273 92 1HG2 THR 5 1HG2 THR 5 0.260 -5.978 -1.521 93 2HG2 THR 5 2HG2 THR 5 1.783 -5.154 -1.189 94 3HG2 THR 5 3HG2 THR 5 1.352 -5.580 -2.846 95 H GLN 6 H GLN 6 1.295 -1.148 -3.381 96 HA GLN 6 HA GLN 6 -0.950 0.436 -2.774 97 1HB GLN 6 2HB GLN 6 1.516 1.003 -2.449 98 2HB GLN 6 1HB GLN 6 1.539 1.430 -4.154 99 1HG GLN 6 2HG GLN 6 1.066 3.477 -3.376 100 2HG GLN 6 1HG GLN 6 -0.586 2.862 -3.344 101 1HE2 GLN 6 1HE2 GLN 6 0.554 4.947 -1.727 102 2HE2 GLN 6 2HE2 GLN 6 0.409 4.443 -0.081 103 H GLU 7 H GLU 7 0.474 -0.568 -5.813 104 HA GLU 7 HA GLU 7 -0.801 1.274 -7.507 105 1HB GLU 7 2HB GLU 7 1.104 -0.326 -8.063 106 2HB GLU 7 1HB GLU 7 -0.128 -1.566 -8.258 107 1HG GLU 7 2HG GLU 7 -0.704 -0.826 -10.272 108 2HG GLU 7 1HG GLU 7 -0.746 0.854 -9.737 109 H GLU 8 H GLU 8 -1.779 -1.990 -6.482 110 HA GLU 8 HA GLU 8 -4.170 -2.047 -7.985 111 1HB GLU 8 2HB GLU 8 -4.799 -3.948 -6.595 112 2HB GLU 8 1HB GLU 8 -3.119 -4.077 -7.096 113 1HG GLU 8 2HG GLU 8 -2.316 -3.718 -4.981 114 2HG GLU 8 1HG GLU 8 -3.752 -2.834 -4.467 115 H LEU 9 H LEU 9 -3.367 -0.764 -4.837 116 HA LEU 9 HA LEU 9 -6.003 -0.459 -3.860 117 1HB LEU 9 2HB LEU 9 -3.658 -0.242 -2.685 118 2HB LEU 9 1HB LEU 9 -3.828 1.449 -3.117 119 HG LEU 9 HG LEU 9 -6.242 0.970 -1.951 120 1HD1 LEU 9 1HD1 LEU 9 -6.120 -0.472 -0.165 121 2HD1 LEU 9 2HD1 LEU 9 -4.357 -0.433 -0.114 122 3HD1 LEU 9 3HD1 LEU 9 -5.184 -1.344 -1.378 123 1HD2 LEU 9 1HD2 LEU 9 -5.015 2.891 -1.396 124 2HD2 LEU 9 2HD2 LEU 9 -3.639 1.951 -0.818 125 3HD2 LEU 9 3HD2 LEU 9 -5.138 1.986 0.112 126 H LEU 10 H LEU 10 -3.830 1.746 -5.592 127 HA LEU 10 HA LEU 10 -5.552 3.970 -5.606 128 1HB LEU 10 2HB LEU 10 -2.987 3.465 -6.440 129 2HB LEU 10 1HB LEU 10 -3.829 3.690 -7.961 130 HG LEU 10 HG LEU 10 -4.747 5.856 -6.751 131 1HD1 LEU 10 1HD1 LEU 10 -2.043 5.889 -5.536 132 2HD1 LEU 10 2HD1 LEU 10 -3.307 4.994 -4.693 133 3HD1 LEU 10 3HD1 LEU 10 -3.523 6.710 -5.039 134 1HD2 LEU 10 1HD2 LEU 10 -2.400 6.890 -7.528 135 2HD2 LEU 10 2HD2 LEU 10 -3.648 6.368 -8.659 136 3HD2 LEU 10 3HD2 LEU 10 -2.289 5.304 -8.293 137 H ARG 11 H ARG 11 -5.271 1.186 -7.717 138 HA ARG 11 HA ARG 11 -6.872 2.130 -9.836 139 1HB ARG 11 2HB ARG 11 -6.345 -0.688 -8.881 140 2HB ARG 11 1HB ARG 11 -7.151 -0.289 -10.393 141 1HG ARG 11 2HG ARG 11 -4.507 0.945 -9.931 142 2HG ARG 11 1HG ARG 11 -4.540 -0.795 -10.222 143 1HD ARG 11 2HD ARG 11 -6.257 0.220 -12.134 144 2HD ARG 11 1HD ARG 11 -4.965 1.417 -12.063 145 HE ARG 11 HE ARG 11 -3.538 -0.111 -13.003 146 1HH1 ARG 11 1HH1 ARG 11 -6.418 -1.759 -11.920 147 2HH1 ARG 11 2HH1 ARG 11 -5.998 -3.257 -12.681 148 1HH2 ARG 11 1HH2 ARG 11 -2.986 -2.080 -14.006 149 2HH2 ARG 11 2HH2 ARG 11 -4.049 -3.440 -13.865 150 H TRP 12 H TRP 12 -7.652 0.374 -6.870 151 HA TRP 12 HA TRP 12 -10.392 -0.030 -7.464 152 1HB TRP 12 2HB TRP 12 -9.196 -1.351 -5.771 153 2HB TRP 12 1HB TRP 12 -9.005 0.090 -4.777 154 HD1 TRP 12 HD TRP 12 -11.653 -2.438 -5.909 155 HE1 TRP 12 1HE TRP 12 -13.684 -2.256 -4.337 156 HE3 TRP 12 3HE TRP 12 -10.238 1.679 -3.227 157 HZ2 TRP 12 2HZ TRP 12 -14.569 -0.587 -2.238 158 HZ3 TRP 12 3HZ TRP 12 -11.733 2.503 -1.456 159 HH2 TRP 12 HH TRP 12 -13.853 1.394 -0.973 160 H CYS 13 H CYS 13 -8.621 2.555 -5.862 161 HA CYS 13 HA CYS 13 -10.853 3.933 -4.827 162 1HB CYS 13 2HB CYS 13 -7.997 4.577 -5.337 163 2HB CYS 13 1HB CYS 13 -9.099 5.934 -5.131 164 HG CYS 13 HG CYS 13 -9.714 4.648 -2.768 165 H GLN 14 H GLN 14 -9.052 4.292 -7.866 166 HA GLN 14 HA GLN 14 -10.567 6.476 -8.832 167 1HB GLN 14 2HB GLN 14 -9.566 5.913 -11.029 168 2HB GLN 14 1HB GLN 14 -8.376 6.020 -9.740 169 1HG GLN 14 2HG GLN 14 -8.106 3.687 -9.651 170 2HG GLN 14 1HG GLN 14 -9.558 3.404 -10.612 171 1HE2 GLN 14 1HE2 GLN 14 -8.550 2.225 -12.191 172 2HE2 GLN 14 2HE2 GLN 14 -7.423 2.907 -13.309 173 H GLU 15 H GLU 15 -10.915 2.988 -9.112 174 HA GLU 15 HA GLU 15 -12.932 2.996 -11.096 175 1HB GLU 15 2HB GLU 15 -11.445 1.059 -9.964 176 2HB GLU 15 1HB GLU 15 -12.942 0.830 -9.070 177 1HG GLU 15 2HG GLU 15 -13.821 1.043 -11.655 178 2HG GLU 15 1HG GLU 15 -12.289 0.188 -11.835 179 H GLN 16 H GLN 16 -13.064 2.892 -7.554 180 HA GLN 16 HA GLN 16 -15.896 2.775 -7.400 181 1HB GLN 16 2HB GLN 16 -13.659 2.927 -5.555 182 2HB GLN 16 1HB GLN 16 -15.002 3.926 -5.021 183 1HG GLN 16 2HG GLN 16 -15.131 1.700 -4.069 184 2HG GLN 16 1HG GLN 16 -16.495 2.010 -5.142 185 1HE2 GLN 16 1HE2 GLN 16 -16.782 -0.263 -5.286 186 2HE2 GLN 16 2HE2 GLN 16 -15.783 -1.215 -6.325 187 H THR 17 H THR 17 -13.585 5.381 -7.631 188 HA THR 17 HA THR 17 -15.647 7.383 -7.117 189 HB THR 17 HB THR 17 -12.739 7.843 -7.784 190 HG1 THR 17 1HG THR 17 -12.437 7.959 -5.540 191 1HG2 THR 17 1HG2 THR 17 -13.716 9.757 -5.990 192 2HG2 THR 17 2HG2 THR 17 -14.920 9.613 -7.270 193 3HG2 THR 17 3HG2 THR 17 -13.245 9.987 -7.674 194 H ALA 18 H ALA 18 -15.000 5.580 -9.682 195 HA ALA 18 HA ALA 18 -14.762 7.618 -11.713 196 1HB ALA 18 1HB ALA 18 -14.244 5.941 -13.111 197 2HB ALA 18 2HB ALA 18 -15.587 4.937 -12.566 198 3HB ALA 18 3HB ALA 18 -14.089 4.983 -11.639 199 H GLY 19 H GLY 19 -16.381 8.615 -12.747 200 1HA GLY 19 2HA GLY 19 -18.664 7.981 -13.793 201 2HA GLY 19 1HA GLY 19 -19.122 7.766 -12.110 202 H TYR 20 H TYR 20 -17.345 10.062 -11.334 203 HA TYR 20 HA TYR 20 -19.330 12.124 -11.775 204 1HB TYR 20 2HB TYR 20 -16.768 12.334 -10.192 205 2HB TYR 20 1HB TYR 20 -18.187 13.369 -10.073 206 HD1 TYR 20 1HD TYR 20 -19.983 12.807 -8.642 207 HD2 TYR 20 2HD TYR 20 -16.934 9.946 -9.419 208 HE1 TYR 20 1HE TYR 20 -20.880 11.375 -6.856 209 HE2 TYR 20 2HE TYR 20 -17.823 8.504 -7.636 210 HH TYR 20 HH TYR 20 -20.106 8.182 -6.498 211 HA PRO 21 HA PRO 21 -17.017 13.768 -15.254 212 1HB PRO 21 2HB PRO 21 -18.824 16.078 -14.962 213 2HB PRO 21 1HB PRO 21 -18.591 15.002 -16.342 214 1HG PRO 21 2HG PRO 21 -20.819 14.914 -14.852 215 2HG PRO 21 1HG PRO 21 -20.110 13.450 -15.559 216 1HD PRO 21 2HD PRO 21 -19.954 14.464 -12.746 217 2HD PRO 21 1HD PRO 21 -20.173 12.804 -13.337 218 H GLY 22 H GLY 22 -15.035 14.329 -14.411 219 1HA GLY 22 2HA GLY 22 -13.680 16.378 -14.270 220 2HA GLY 22 1HA GLY 22 -14.892 17.003 -13.162 221 H VAL 23 H VAL 23 -13.986 13.677 -12.914 222 HA VAL 23 HA VAL 23 -12.525 14.314 -10.440 223 HB VAL 23 HB VAL 23 -14.602 13.042 -10.084 224 1HG1 VAL 23 1HG1 VAL 23 -15.196 11.208 -11.227 225 2HG1 VAL 23 2HG1 VAL 23 -13.563 10.543 -11.200 226 3HG1 VAL 23 3HG1 VAL 23 -14.001 11.753 -12.405 227 1HG2 VAL 23 1HG2 VAL 23 -12.175 12.598 -8.948 228 2HG2 VAL 23 2HG2 VAL 23 -12.615 10.972 -9.469 229 3HG2 VAL 23 3HG2 VAL 23 -13.686 11.875 -8.397 230 H HIS 24 H HIS 24 -10.433 13.973 -10.484 231 HA HIS 24 HA HIS 24 -9.346 11.937 -12.316 232 1HB HIS 24 2HB HIS 24 -7.980 14.464 -11.364 233 2HB HIS 24 1HB HIS 24 -7.323 13.289 -12.499 234 HD1 HIS 24 1HD HIS 24 -8.921 13.018 -14.758 235 HD2 HIS 24 2HD HIS 24 -9.184 16.549 -12.586 236 HE1 HIS 24 1HE HIS 24 -9.940 14.696 -16.328 237 HE2 HIS 24 2HE HIS 24 -9.995 16.852 -15.024 238 H VAL 25 H VAL 25 -9.783 10.497 -10.447 239 HA VAL 25 HA VAL 25 -8.299 10.800 -8.033 240 HB VAL 25 HB VAL 25 -9.482 8.247 -9.124 241 1HG1 VAL 25 1HG1 VAL 25 -8.381 7.487 -7.308 242 2HG1 VAL 25 2HG1 VAL 25 -9.784 8.127 -6.455 243 3HG1 VAL 25 3HG1 VAL 25 -8.304 9.080 -6.554 244 1HG2 VAL 25 1HG2 VAL 25 -11.529 9.050 -8.810 245 2HG2 VAL 25 2HG2 VAL 25 -10.834 10.635 -8.475 246 3HG2 VAL 25 3HG2 VAL 25 -11.130 9.506 -7.154 247 H SER 26 H SER 26 -6.121 11.019 -8.471 248 HA SER 26 HA SER 26 -4.736 8.551 -9.083 249 1HB SER 26 2HB SER 26 -4.897 9.440 -11.308 250 2HB SER 26 1HB SER 26 -4.400 11.042 -10.764 251 HG SER 26 HG SER 26 -2.770 8.729 -10.575 252 H ASP 27 H ASP 27 -5.128 10.617 -6.889 253 HA ASP 27 HA ASP 27 -2.295 10.814 -6.182 254 1HB ASP 27 2HB ASP 27 -4.262 13.087 -5.833 255 2HB ASP 27 1HB ASP 27 -2.570 13.089 -5.346 256 H LEU 28 H LEU 28 -1.851 10.515 -4.026 257 HA LEU 28 HA LEU 28 -4.081 9.543 -2.413 258 1HB LEU 28 2HB LEU 28 -1.187 9.039 -2.543 259 2HB LEU 28 1HB LEU 28 -1.838 9.097 -0.918 260 HG LEU 28 HG LEU 28 -3.243 7.405 -2.926 261 1HD1 LEU 28 1HD1 LEU 28 -1.071 6.087 -1.440 262 2HD1 LEU 28 2HD1 LEU 28 -0.570 7.117 -2.780 263 3HD1 LEU 28 3HD1 LEU 28 -1.688 5.782 -3.063 264 1HD2 LEU 28 1HD2 LEU 28 -4.365 7.208 -0.970 265 2HD2 LEU 28 2HD2 LEU 28 -2.955 7.613 0.008 266 3HD2 LEU 28 3HD2 LEU 28 -3.130 5.990 -0.659 267 H SER 29 H SER 29 -3.898 12.357 -2.805 268 HA SER 29 HA SER 29 -4.035 13.212 -0.086 269 1HB SER 29 2HB SER 29 -1.667 13.404 -0.171 270 2HB SER 29 1HB SER 29 -1.709 14.121 -1.782 271 HG SER 29 HG SER 29 -1.370 15.681 -0.133 272 H SER 30 H SER 30 -3.211 14.854 -3.144 273 HA SER 30 HA SER 30 -4.993 16.985 -2.766 274 1HB SER 30 2HB SER 30 -3.387 15.930 -5.026 275 2HB SER 30 1HB SER 30 -4.732 16.989 -5.446 276 HG SER 30 HG SER 30 -3.844 18.586 -4.159 277 H SER 31 H SER 31 -5.396 13.875 -4.366 278 HA SER 31 HA SER 31 -7.784 14.320 -5.710 279 1HB SER 31 2HB SER 31 -6.843 11.787 -4.346 280 2HB SER 31 1HB SER 31 -8.147 11.875 -5.529 281 HG SER 31 HG SER 31 -6.708 12.367 -7.097 282 H TRP 32 H TRP 32 -7.198 13.933 -2.309 283 HA TRP 32 HA TRP 32 -10.083 13.751 -1.790 284 1HB TRP 32 2HB TRP 32 -7.904 13.451 0.270 285 2HB TRP 32 1HB TRP 32 -9.573 12.898 0.359 286 HD1 TRP 32 HD TRP 32 -6.450 12.141 -1.834 287 HE1 TRP 32 1HE TRP 32 -6.438 9.618 -2.338 288 HE3 TRP 32 3HE TRP 32 -10.801 10.824 0.508 289 HZ2 TRP 32 2HZ TRP 32 -8.058 7.366 -1.811 290 HZ3 TRP 32 3HZ TRP 32 -11.498 8.465 0.461 291 HH2 TRP 32 HH TRP 32 -10.154 6.773 -0.675 292 H ALA 33 H ALA 33 -8.060 16.149 -2.334 293 HA ALA 33 HA ALA 33 -8.034 17.821 -0.122 294 1HB ALA 33 1HB ALA 33 -7.409 19.527 -1.555 295 2HB ALA 33 2HB ALA 33 -8.427 18.936 -2.868 296 3HB ALA 33 3HB ALA 33 -6.938 18.086 -2.456 297 H ASP 34 H ASP 34 -10.380 17.918 -2.815 298 HA ASP 34 HA ASP 34 -12.143 19.637 -1.325 299 1HB ASP 34 2HB ASP 34 -13.675 19.253 -3.326 300 2HB ASP 34 1HB ASP 34 -12.127 20.022 -3.660 301 H GLY 35 H GLY 35 -11.549 16.387 -1.138 302 1HA GLY 35 2HA GLY 35 -12.650 14.774 0.095 303 2HA GLY 35 1HA GLY 35 -13.946 15.927 0.377 304 H LEU 36 H LEU 36 -12.906 15.214 -2.864 305 HA LEU 36 HA LEU 36 -15.537 14.339 -3.577 306 1HB LEU 36 2HB LEU 36 -13.064 15.059 -4.956 307 2HB LEU 36 1HB LEU 36 -13.922 13.740 -5.730 308 HG LEU 36 HG LEU 36 -15.599 16.048 -4.993 309 1HD1 LEU 36 1HD1 LEU 36 -13.149 16.400 -6.524 310 2HD1 LEU 36 2HD1 LEU 36 -14.235 17.600 -5.827 311 3HD1 LEU 36 3HD1 LEU 36 -14.594 16.896 -7.403 312 1HD2 LEU 36 1HD2 LEU 36 -16.774 15.468 -6.893 313 2HD2 LEU 36 2HD2 LEU 36 -16.134 13.910 -6.371 314 3HD2 LEU 36 3HD2 LEU 36 -15.357 14.786 -7.689 315 H ALA 37 H ALA 37 -12.432 12.775 -3.033 316 HA ALA 37 HA ALA 37 -13.096 10.241 -4.068 317 1HB ALA 37 1HB ALA 37 -11.245 9.470 -2.463 318 2HB ALA 37 2HB ALA 37 -11.054 11.181 -2.085 319 3HB ALA 37 3HB ALA 37 -10.818 10.613 -3.737 320 H LEU 38 H LEU 38 -13.275 11.539 -0.763 321 HA LEU 38 HA LEU 38 -14.303 9.158 0.390 322 1HB LEU 38 2HB LEU 38 -13.238 11.363 1.438 323 2HB LEU 38 1HB LEU 38 -14.927 11.807 1.594 324 HG LEU 38 HG LEU 38 -15.204 9.518 2.765 325 1HD1 LEU 38 1HD1 LEU 38 -13.383 8.375 3.498 326 2HD1 LEU 38 2HD1 LEU 38 -12.368 9.815 3.569 327 3HD1 LEU 38 3HD1 LEU 38 -12.700 9.045 2.017 328 1HD2 LEU 38 1HD2 LEU 38 -13.548 11.252 4.480 329 2HD2 LEU 38 2HD2 LEU 38 -15.182 10.635 4.724 330 3HD2 LEU 38 3HD2 LEU 38 -14.913 12.033 3.683 331 H CYS 39 H CYS 39 -15.838 12.157 -0.732 332 HA CYS 39 HA CYS 39 -18.475 11.409 -0.039 333 1HB CYS 39 2HB CYS 39 -17.351 13.434 -1.965 334 2HB CYS 39 1HB CYS 39 -19.083 13.194 -1.782 335 HG CYS 39 HG CYS 39 -18.712 13.881 0.792 336 H ALA 40 H ALA 40 -16.531 10.977 -2.938 337 HA ALA 40 HA ALA 40 -18.534 10.106 -4.686 338 1HB ALA 40 1HB ALA 40 -16.673 8.979 -5.909 339 2HB ALA 40 2HB ALA 40 -15.603 9.415 -4.578 340 3HB ALA 40 3HB ALA 40 -16.375 10.677 -5.540 341 H LEU 41 H LEU 41 -16.486 8.279 -2.436 342 HA LEU 41 HA LEU 41 -17.426 5.718 -3.128 343 1HB LEU 41 2HB LEU 41 -16.275 6.751 -0.536 344 2HB LEU 41 1HB LEU 41 -16.571 5.055 -0.872 345 HG LEU 41 HG LEU 41 -14.821 6.645 -2.709 346 1HD1 LEU 41 1HD1 LEU 41 -14.195 5.750 0.055 347 2HD1 LEU 41 2HD1 LEU 41 -13.634 7.167 -0.831 348 3HD1 LEU 41 3HD1 LEU 41 -12.956 5.578 -1.189 349 1HD2 LEU 41 1HD2 LEU 41 -14.440 3.804 -1.870 350 2HD2 LEU 41 2HD2 LEU 41 -14.020 4.595 -3.389 351 3HD2 LEU 41 3HD2 LEU 41 -15.704 4.211 -3.031 352 H VAL 42 H VAL 42 -18.364 7.868 -0.445 353 HA VAL 42 HA VAL 42 -20.398 6.245 0.592 354 HB VAL 42 HB VAL 42 -20.450 9.259 0.644 355 1HG1 VAL 42 1HG1 VAL 42 -21.969 9.081 2.289 356 2HG1 VAL 42 2HG1 VAL 42 -21.169 7.688 3.017 357 3HG1 VAL 42 3HG1 VAL 42 -22.237 7.469 1.629 358 1HG2 VAL 42 1HG2 VAL 42 -18.359 7.580 1.564 359 2HG2 VAL 42 2HG2 VAL 42 -19.219 8.187 2.978 360 3HG2 VAL 42 3HG2 VAL 42 -18.553 9.316 1.798 361 H TYR 43 H TYR 43 -20.485 8.787 -1.871 362 HA TYR 43 HA TYR 43 -23.259 8.873 -2.246 363 1HB TYR 43 2HB TYR 43 -21.758 10.575 -3.162 364 2HB TYR 43 1HB TYR 43 -21.048 9.385 -4.249 365 HD1 TYR 43 1HD TYR 43 -22.132 8.773 -6.288 366 HD2 TYR 43 2HD TYR 43 -24.086 11.344 -3.520 367 HE1 TYR 43 1HE TYR 43 -23.818 9.316 -7.993 368 HE2 TYR 43 2HE TYR 43 -25.778 11.894 -5.215 369 HH TYR 43 HH TYR 43 -26.721 10.908 -7.265 370 H ARG 44 H ARG 44 -20.787 6.773 -3.619 371 HA ARG 44 HA ARG 44 -22.382 5.536 -5.580 372 1HB ARG 44 2HB ARG 44 -19.810 5.432 -5.176 373 2HB ARG 44 1HB ARG 44 -20.199 4.075 -4.129 374 1HG ARG 44 2HG ARG 44 -21.523 3.826 -6.679 375 2HG ARG 44 1HG ARG 44 -19.780 4.017 -6.877 376 1HD ARG 44 2HD ARG 44 -19.397 2.173 -5.324 377 2HD ARG 44 1HD ARG 44 -21.135 1.994 -5.095 378 HE ARG 44 HE ARG 44 -21.248 0.869 -7.086 379 1HH1 ARG 44 1HH1 ARG 44 -18.181 2.524 -6.896 380 2HH1 ARG 44 2HH1 ARG 44 -17.543 1.768 -8.317 381 1HH2 ARG 44 1HH2 ARG 44 -20.410 -0.127 -8.954 382 2HH2 ARG 44 2HH2 ARG 44 -18.809 0.263 -9.487 383 H LEU 45 H LEU 45 -21.789 4.764 -2.182 384 HA LEU 45 HA LEU 45 -23.372 2.374 -2.230 385 1HB LEU 45 2HB LEU 45 -21.974 3.980 -0.147 386 2HB LEU 45 1HB LEU 45 -23.242 2.886 0.376 387 HG LEU 45 HG LEU 45 -20.958 1.912 0.503 388 1HD1 LEU 45 1HD1 LEU 45 -21.740 -0.159 0.066 389 2HD1 LEU 45 2HD1 LEU 45 -22.293 0.271 -1.552 390 3HD1 LEU 45 3HD1 LEU 45 -23.264 0.703 -0.145 391 1HD2 LEU 45 1HD2 LEU 45 -21.045 1.859 -2.503 392 2HD2 LEU 45 2HD2 LEU 45 -19.720 1.380 -1.441 393 3HD2 LEU 45 3HD2 LEU 45 -20.162 3.081 -1.587 394 H GLN 46 H GLN 46 -23.929 5.751 -1.577 395 HA GLN 46 HA GLN 46 -26.793 5.274 -1.538 396 1HB GLN 46 2HB GLN 46 -25.325 5.733 0.866 397 2HB GLN 46 1HB GLN 46 -26.305 7.158 0.546 398 1HG GLN 46 2HG GLN 46 -28.056 6.110 1.385 399 2HG GLN 46 1HG GLN 46 -27.956 4.934 0.076 400 1HE2 GLN 46 1HE2 GLN 46 -28.827 4.517 2.794 401 2HE2 GLN 46 2HE2 GLN 46 -27.777 3.326 3.475 402 HA PRO 47 HA PRO 47 -25.537 9.013 -3.944 403 1HB PRO 47 2HB PRO 47 -27.316 8.611 -5.954 404 2HB PRO 47 1HB PRO 47 -25.722 7.852 -5.914 405 1HG PRO 47 2HG PRO 47 -28.381 6.713 -5.143 406 2HG PRO 47 1HG PRO 47 -27.068 5.962 -6.071 407 1HD PRO 47 2HD PRO 47 -27.474 5.436 -3.450 408 2HD PRO 47 1HD PRO 47 -25.856 5.445 -4.179 409 H GLY 48 H GLY 48 -28.642 7.800 -2.869 410 1HA GLY 48 2HA GLY 48 -30.056 10.254 -3.351 411 2HA GLY 48 1HA GLY 48 -30.643 8.874 -2.436 412 H LEU 49 H LEU 49 -28.386 8.825 -0.609 413 HA LEU 49 HA LEU 49 -29.220 11.064 1.087 414 1HB LEU 49 2HB LEU 49 -28.105 8.347 1.601 415 2HB LEU 49 1HB LEU 49 -27.823 9.605 2.790 416 HG LEU 49 HG LEU 49 -30.590 8.931 1.817 417 1HD1 LEU 49 1HD1 LEU 49 -30.199 6.903 2.737 418 2HD1 LEU 49 2HD1 LEU 49 -30.523 7.782 4.231 419 3HD1 LEU 49 3HD1 LEU 49 -28.859 7.486 3.724 420 1HD2 LEU 49 1HD2 LEU 49 -30.026 9.925 4.538 421 2HD2 LEU 49 2HD2 LEU 49 -31.338 10.324 3.429 422 3HD2 LEU 49 3HD2 LEU 49 -29.750 11.060 3.217 423 H LEU 50 H LEU 50 -27.252 11.315 -1.117 424 HA LEU 50 HA LEU 50 -25.124 12.535 0.474 425 1HB LEU 50 2HB LEU 50 -24.812 10.311 -1.443 426 2HB LEU 50 1HB LEU 50 -23.662 11.623 -1.619 427 HG LEU 50 HG LEU 50 -22.664 9.970 -0.223 428 1HD1 LEU 50 1HD1 LEU 50 -21.886 11.358 1.376 429 2HD1 LEU 50 2HD1 LEU 50 -23.499 11.822 1.915 430 3HD1 LEU 50 3HD1 LEU 50 -22.809 12.555 0.467 431 1HD2 LEU 50 1HD2 LEU 50 -24.497 10.059 2.025 432 2HD2 LEU 50 2HD2 LEU 50 -23.769 8.674 1.211 433 3HD2 LEU 50 3HD2 LEU 50 -25.246 9.393 0.575 434 H GLU 51 H GLU 51 -23.763 14.018 -0.849 435 HA GLU 51 HA GLU 51 -24.883 14.958 -3.343 436 1HB GLU 51 2HB GLU 51 -25.124 16.509 -0.783 437 2HB GLU 51 1HB GLU 51 -24.983 17.350 -2.321 438 1HG GLU 51 2HG GLU 51 -27.121 15.369 -1.568 439 2HG GLU 51 1HG GLU 51 -27.303 17.121 -1.658 440 HA PRO 52 HA PRO 52 -20.222 15.298 -2.616 441 1HB PRO 52 2HB PRO 52 -19.678 14.277 -5.135 442 2HB PRO 52 1HB PRO 52 -19.694 13.336 -3.642 443 1HG PRO 52 2HG PRO 52 -21.821 13.633 -5.719 444 2HG PRO 52 1HG PRO 52 -21.322 12.187 -4.822 445 1HD PRO 52 2HD PRO 52 -23.543 13.527 -4.166 446 2HD PRO 52 1HD PRO 52 -22.501 12.810 -2.919 447 H SER 53 H SER 53 -22.062 15.834 -5.624 448 HA SER 53 HA SER 53 -20.386 17.712 -6.789 449 1HB SER 53 2HB SER 53 -22.427 18.494 -8.008 450 2HB SER 53 1HB SER 53 -22.211 16.744 -8.039 451 HG SER 53 HG SER 53 -23.836 18.053 -6.126 452 H GLU 54 H GLU 54 -22.714 18.096 -4.211 453 HA GLU 54 HA GLU 54 -22.832 20.941 -4.309 454 1HB GLU 54 2HB GLU 54 -24.499 19.342 -3.213 455 2HB GLU 54 1HB GLU 54 -23.366 19.258 -1.870 456 1HG GLU 54 2HG GLU 54 -23.534 21.708 -1.622 457 2HG GLU 54 1HG GLU 54 -24.747 21.725 -2.900 458 H LEU 55 H LEU 55 -21.080 18.672 -2.197 459 HA LEU 55 HA LEU 55 -19.613 20.829 -0.951 460 1HB LEU 55 2HB LEU 55 -19.068 17.891 -0.639 461 2HB LEU 55 1HB LEU 55 -18.692 19.188 0.478 462 HG LEU 55 HG LEU 55 -21.561 18.801 -0.131 463 1HD1 LEU 55 1HD1 LEU 55 -20.253 16.502 0.227 464 2HD1 LEU 55 2HD1 LEU 55 -21.872 16.792 0.865 465 3HD1 LEU 55 3HD1 LEU 55 -20.466 16.968 1.915 466 1HD2 LEU 55 1HD2 LEU 55 -21.514 19.021 2.455 467 2HD2 LEU 55 2HD2 LEU 55 -21.177 20.436 1.457 468 3HD2 LEU 55 3HD2 LEU 55 -19.850 19.547 2.205 469 H GLN 56 H GLN 56 -19.266 19.056 -3.772 470 HA GLN 56 HA GLN 56 -16.526 18.558 -3.900 471 1HB GLN 56 2HB GLN 56 -18.074 17.614 -5.507 472 2HB GLN 56 1HB GLN 56 -18.486 19.218 -6.099 473 1HG GLN 56 2HG GLN 56 -15.666 18.868 -6.289 474 2HG GLN 56 1HG GLN 56 -16.466 17.472 -7.010 475 1HE2 GLN 56 1HE2 GLN 56 -15.225 20.391 -7.691 476 2HE2 GLN 56 2HE2 GLN 56 -16.162 20.810 -9.081 477 H GLY 57 H GLY 57 -18.344 21.502 -4.540 478 1HA GLY 57 2HA GLY 57 -15.766 22.861 -5.040 479 2HA GLY 57 1HA GLY 57 -17.275 23.351 -5.793 480 H LEU 58 H LEU 58 -18.700 22.864 -3.177 481 HA LEU 58 HA LEU 58 -18.790 25.461 -2.242 482 1HB LEU 58 2HB LEU 58 -19.794 22.871 -1.395 483 2HB LEU 58 1HB LEU 58 -19.441 23.913 -0.029 484 HG LEU 58 HG LEU 58 -20.822 25.687 -1.247 485 1HD1 LEU 58 1HD1 LEU 58 -22.373 23.565 -2.542 486 2HD1 LEU 58 2HD1 LEU 58 -20.812 23.900 -3.292 487 3HD1 LEU 58 3HD1 LEU 58 -21.993 25.197 -3.094 488 1HD2 LEU 58 1HD2 LEU 58 -21.920 25.001 0.607 489 2HD2 LEU 58 2HD2 LEU 58 -21.737 23.291 0.215 490 3HD2 LEU 58 3HD2 LEU 58 -22.985 24.248 -0.581 491 H GLY 59 H GLY 59 -16.680 22.828 -1.260 492 1HA GLY 59 2HA GLY 59 -14.591 24.369 -0.378 493 2HA GLY 59 1HA GLY 59 -15.629 24.200 1.028 494 H ALA 60 H ALA 60 -12.909 23.217 0.575 495 HA ALA 60 HA ALA 60 -13.085 20.366 0.254 496 1HB ALA 60 1HB ALA 60 -10.643 20.676 1.281 497 2HB ALA 60 2HB ALA 60 -10.931 22.332 0.750 498 3HB ALA 60 3HB ALA 60 -11.014 21.008 -0.410 499 H LEU 61 H LEU 61 -12.245 22.489 2.998 500 HA LEU 61 HA LEU 61 -12.127 20.490 4.943 501 1HB LEU 61 2HB LEU 61 -12.667 23.438 5.055 502 2HB LEU 61 1HB LEU 61 -12.745 22.464 6.510 503 HG LEU 61 HG LEU 61 -10.290 22.245 4.849 504 1HD1 LEU 61 1HD1 LEU 61 -9.343 24.215 6.060 505 2HD1 LEU 61 2HD1 LEU 61 -10.986 24.635 6.541 506 3HD1 LEU 61 3HD1 LEU 61 -10.545 24.614 4.834 507 1HD2 LEU 61 1HD2 LEU 61 -10.323 20.863 6.743 508 2HD2 LEU 61 2HD2 LEU 61 -10.996 22.133 7.765 509 3HD2 LEU 61 3HD2 LEU 61 -9.326 22.240 7.210 510 H GLU 62 H GLU 62 -14.850 22.420 3.788 511 HA GLU 62 HA GLU 62 -16.714 21.440 5.701 512 1HB GLU 62 2HB GLU 62 -16.718 23.479 3.879 513 2HB GLU 62 1HB GLU 62 -17.796 22.323 3.110 514 1HG GLU 62 2HG GLU 62 -19.347 22.430 4.820 515 2HG GLU 62 1HG GLU 62 -18.172 23.044 5.983 516 H ALA 63 H ALA 63 -15.720 20.424 2.491 517 HA ALA 63 HA ALA 63 -17.797 18.551 2.049 518 1HB ALA 63 1HB ALA 63 -16.328 17.647 0.299 519 2HB ALA 63 2HB ALA 63 -15.009 18.649 0.902 520 3HB ALA 63 3HB ALA 63 -16.449 19.405 0.221 521 H THR 64 H THR 64 -14.533 18.249 3.401 522 HA THR 64 HA THR 64 -14.583 15.446 3.731 523 HB THR 64 HB THR 64 -13.029 17.205 5.587 524 HG1 THR 64 1HG THR 64 -12.485 16.869 2.824 525 1HG2 THR 64 1HG2 THR 64 -11.215 15.618 5.011 526 2HG2 THR 64 2HG2 THR 64 -12.381 14.699 4.060 527 3HG2 THR 64 3HG2 THR 64 -12.602 14.869 5.801 528 H ALA 65 H ALA 65 -15.204 18.086 6.039 529 HA ALA 65 HA ALA 65 -15.804 16.495 8.255 530 1HB ALA 65 1HB ALA 65 -16.311 19.297 7.467 531 2HB ALA 65 2HB ALA 65 -15.569 18.643 8.927 532 3HB ALA 65 3HB ALA 65 -17.325 18.643 8.754 533 H TRP 66 H TRP 66 -17.916 17.760 5.704 534 HA TRP 66 HA TRP 66 -20.334 16.791 6.808 535 1HB TRP 66 2HB TRP 66 -19.856 18.524 4.872 536 2HB TRP 66 1HB TRP 66 -20.001 17.095 3.853 537 HD1 TRP 66 HD TRP 66 -22.074 19.203 6.326 538 HE1 TRP 66 1HE TRP 66 -24.567 18.827 5.813 539 HE3 TRP 66 3HE TRP 66 -21.632 15.543 2.785 540 HZ2 TRP 66 2HZ TRP 66 -26.140 17.193 4.130 541 HZ3 TRP 66 3HZ TRP 66 -23.678 14.626 1.772 542 HH2 TRP 66 HH TRP 66 -25.885 15.436 2.433 543 H ALA 67 H ALA 67 -18.111 15.468 4.379 544 HA ALA 67 HA ALA 67 -19.622 13.176 3.759 545 1HB ALA 67 1HB ALA 67 -16.673 12.983 3.623 546 2HB ALA 67 2HB ALA 67 -17.434 14.272 2.690 547 3HB ALA 67 3HB ALA 67 -17.895 12.592 2.413 548 H LEU 68 H LEU 68 -17.143 13.779 6.203 549 HA LEU 68 HA LEU 68 -16.843 11.118 7.071 550 1HB LEU 68 2HB LEU 68 -16.411 13.737 8.501 551 2HB LEU 68 1HB LEU 68 -15.975 12.179 9.181 552 HG LEU 68 HG LEU 68 -14.889 12.964 6.508 553 1HD1 LEU 68 1HD1 LEU 68 -14.235 14.191 9.114 554 2HD1 LEU 68 2HD1 LEU 68 -14.089 14.842 7.482 555 3HD1 LEU 68 3HD1 LEU 68 -12.876 13.718 8.094 556 1HD2 LEU 68 1HD2 LEU 68 -13.853 11.295 8.795 557 2HD2 LEU 68 2HD2 LEU 68 -13.005 11.581 7.275 558 3HD2 LEU 68 3HD2 LEU 68 -14.531 10.694 7.282 559 H LYS 69 H LYS 69 -18.965 13.729 8.197 560 HA LYS 69 HA LYS 69 -20.096 12.253 10.337 561 1HB LYS 69 2HB LYS 69 -20.737 14.796 8.924 562 2HB LYS 69 1HB LYS 69 -21.997 14.063 9.909 563 1HG LYS 69 2HG LYS 69 -20.367 14.030 11.808 564 2HG LYS 69 1HG LYS 69 -19.277 14.983 10.799 565 1HD LYS 69 2HD LYS 69 -21.365 16.538 10.536 566 2HD LYS 69 1HD LYS 69 -21.893 15.745 12.022 567 1HE LYS 69 2HE LYS 69 -20.709 17.366 13.033 568 2HE LYS 69 1HE LYS 69 -19.324 16.348 12.642 569 1HZ LYS 69 1HZ LYS 69 -18.592 18.237 11.696 570 2HZ LYS 69 2HZ LYS 69 -20.139 18.888 11.495 571 3HZ LYS 69 3HZ LYS 69 -19.555 17.744 10.394 572 H VAL 70 H VAL 70 -21.262 12.962 7.049 573 HA VAL 70 HA VAL 70 -23.670 11.486 7.319 574 HB VAL 70 HB VAL 70 -23.819 11.625 4.859 575 1HG1 VAL 70 1HG1 VAL 70 -24.697 13.484 6.009 576 2HG1 VAL 70 2HG1 VAL 70 -23.691 14.159 4.725 577 3HG1 VAL 70 3HG1 VAL 70 -23.092 14.110 6.384 578 1HG2 VAL 70 1HG2 VAL 70 -21.770 11.452 3.889 579 2HG2 VAL 70 2HG2 VAL 70 -20.968 12.376 5.159 580 3HG2 VAL 70 3HG2 VAL 70 -21.900 13.210 3.915 581 H ALA 71 H ALA 71 -20.465 10.676 6.050 582 HA ALA 71 HA ALA 71 -21.044 8.190 4.941 583 1HB ALA 71 1HB ALA 71 -18.897 9.277 4.619 584 2HB ALA 71 2HB ALA 71 -18.666 7.663 5.290 585 3HB ALA 71 3HB ALA 71 -18.516 9.079 6.330 586 H GLU 72 H GLU 72 -20.127 9.038 8.255 587 HA GLU 72 HA GLU 72 -20.224 6.373 9.242 588 1HB GLU 72 2HB GLU 72 -18.949 8.197 10.338 589 2HB GLU 72 1HB GLU 72 -20.466 8.978 10.761 590 1HG GLU 72 2HG GLU 72 -20.134 6.170 11.614 591 2HG GLU 72 1HG GLU 72 -19.133 7.375 12.421 592 H ASN 73 H ASN 73 -22.536 9.022 9.049 593 HA ASN 73 HA ASN 73 -24.532 7.802 10.654 594 1HB ASN 73 2HB ASN 73 -24.317 10.174 8.924 595 2HB ASN 73 1HB ASN 73 -25.937 9.496 9.045 596 1HD2 ASN 73 1HD2 ASN 73 -26.186 8.674 11.541 597 2HD2 ASN 73 2HD2 ASN 73 -25.970 9.969 12.664 598 H GLU 74 H GLU 74 -23.932 7.873 7.173 599 HA GLU 74 HA GLU 74 -26.301 6.356 6.569 600 1HB GLU 74 2HB GLU 74 -24.197 7.738 5.065 601 2HB GLU 74 1HB GLU 74 -24.773 6.264 4.296 602 1HG GLU 74 2HG GLU 74 -26.180 7.830 3.401 603 2HG GLU 74 1HG GLU 74 -27.126 7.254 4.772 604 H LEU 75 H LEU 75 -22.815 5.680 6.675 605 HA LEU 75 HA LEU 75 -23.386 2.862 6.108 606 1HB LEU 75 2HB LEU 75 -21.576 4.343 4.929 607 2HB LEU 75 1HB LEU 75 -20.620 3.955 6.347 608 HG LEU 75 HG LEU 75 -21.888 1.657 4.990 609 1HD1 LEU 75 1HD1 LEU 75 -19.734 1.749 3.456 610 2HD1 LEU 75 2HD1 LEU 75 -19.978 3.486 3.642 611 3HD1 LEU 75 3HD1 LEU 75 -21.260 2.482 2.963 612 1HD2 LEU 75 1HD2 LEU 75 -19.002 1.809 5.613 613 2HD2 LEU 75 2HD2 LEU 75 -20.159 0.507 5.890 614 3HD2 LEU 75 3HD2 LEU 75 -20.117 1.895 6.978 615 H GLY 76 H GLY 76 -21.740 4.896 8.515 616 1HA GLY 76 2HA GLY 76 -21.758 4.385 10.843 617 2HA GLY 76 1HA GLY 76 -22.073 2.706 10.440 618 H ILE 77 H ILE 77 -19.602 4.534 8.808 619 HA ILE 77 HA ILE 77 -17.590 2.717 9.885 620 HB ILE 77 HB ILE 77 -17.716 3.060 7.440 621 1HG1 ILE 77 2HG1 ILE 77 -15.117 4.147 7.617 622 2HG1 ILE 77 1HG1 ILE 77 -15.380 3.258 9.113 623 1HG2 ILE 77 1HG2 ILE 77 -16.698 5.844 7.960 624 2HG2 ILE 77 2HG2 ILE 77 -18.379 5.469 7.587 625 3HG2 ILE 77 3HG2 ILE 77 -17.116 5.121 6.407 626 1HD1 ILE 77 1HD1 ILE 77 -15.013 1.349 8.064 627 2HD1 ILE 77 2HD1 ILE 77 -14.679 2.250 6.585 628 3HD1 ILE 77 3HD1 ILE 77 -16.317 1.690 6.926 629 H THR 78 H THR 78 -16.291 3.291 11.490 630 HA THR 78 HA THR 78 -16.320 5.939 12.559 631 HB THR 78 HB THR 78 -14.517 3.616 13.256 632 HG1 THR 78 1HG THR 78 -16.866 3.317 13.466 633 1HG2 THR 78 1HG2 THR 78 -13.960 6.007 14.090 634 2HG2 THR 78 2HG2 THR 78 -13.949 4.655 15.221 635 3HG2 THR 78 3HG2 THR 78 -15.330 5.749 15.168 636 HA PRO 79 HA PRO 79 -13.045 7.360 9.811 637 1HB PRO 79 2HB PRO 79 -12.967 9.909 10.760 638 2HB PRO 79 1HB PRO 79 -14.189 9.340 9.615 639 1HG PRO 79 2HG PRO 79 -14.384 9.678 12.583 640 2HG PRO 79 1HG PRO 79 -15.564 10.102 11.328 641 1HD PRO 79 2HD PRO 79 -15.783 7.859 12.819 642 2HD PRO 79 1HD PRO 79 -16.321 7.932 11.129 643 H VAL 80 H VAL 80 -10.986 6.864 10.193 644 HA VAL 80 HA VAL 80 -9.889 7.288 12.883 645 HB VAL 80 HB VAL 80 -8.634 5.680 10.663 646 1HG1 VAL 80 1HG1 VAL 80 -8.017 6.229 13.495 647 2HG1 VAL 80 2HG1 VAL 80 -6.940 5.871 12.145 648 3HG1 VAL 80 3HG1 VAL 80 -7.800 4.563 12.958 649 1HG2 VAL 80 1HG2 VAL 80 -10.588 4.490 10.943 650 2HG2 VAL 80 2HG2 VAL 80 -10.739 4.933 12.644 651 3HG2 VAL 80 3HG2 VAL 80 -9.544 3.735 12.148 652 H VAL 81 H VAL 81 -10.183 9.288 10.574 653 HA VAL 81 HA VAL 81 -7.532 10.432 10.896 654 HB VAL 81 HB VAL 81 -7.318 9.111 8.837 655 1HG1 VAL 81 1HG1 VAL 81 -8.623 9.934 6.821 656 2HG1 VAL 81 2HG1 VAL 81 -9.701 10.727 7.971 657 3HG1 VAL 81 3HG1 VAL 81 -9.515 8.973 8.001 658 1HG2 VAL 81 1HG2 VAL 81 -6.004 11.110 8.984 659 2HG2 VAL 81 2HG2 VAL 81 -7.365 12.100 8.460 660 3HG2 VAL 81 3HG2 VAL 81 -6.612 10.971 7.335 661 H SER 82 H SER 82 -7.468 12.676 10.608 662 HA SER 82 HA SER 82 -10.027 13.983 10.907 663 1HB SER 82 2HB SER 82 -7.271 15.230 10.817 664 2HB SER 82 1HB SER 82 -8.748 15.971 11.433 665 HG SER 82 HG SER 82 -7.024 14.635 12.817 666 H ALA 83 H ALA 83 -10.594 15.915 9.661 667 HA ALA 83 HA ALA 83 -10.548 15.416 6.884 668 1HB ALA 83 1HB ALA 83 -11.363 17.962 6.951 669 2HB ALA 83 2HB ALA 83 -11.601 17.545 8.647 670 3HB ALA 83 3HB ALA 83 -12.408 16.611 7.387 671 H GLN 84 H GLN 84 -8.798 17.739 8.911 672 HA GLN 84 HA GLN 84 -7.492 19.097 6.823 673 1HB GLN 84 2HB GLN 84 -7.690 19.538 9.452 674 2HB GLN 84 1HB GLN 84 -6.103 18.782 9.432 675 1HG GLN 84 2HG GLN 84 -5.472 20.465 7.652 676 2HG GLN 84 1HG GLN 84 -6.975 21.298 8.049 677 1HE2 GLN 84 1HE2 GLN 84 -6.796 22.858 9.478 678 2HE2 GLN 84 2HE2 GLN 84 -5.582 22.994 10.699 679 H ALA 85 H ALA 85 -6.730 16.142 8.553 680 HA ALA 85 HA ALA 85 -4.056 15.892 7.644 681 1HB ALA 85 1HB ALA 85 -6.034 13.937 8.776 682 2HB ALA 85 2HB ALA 85 -4.612 14.640 9.547 683 3HB ALA 85 3HB ALA 85 -4.418 13.446 8.264 684 H VAL 86 H VAL 86 -7.125 14.521 6.483 685 HA VAL 86 HA VAL 86 -5.940 13.086 4.333 686 HB VAL 86 HB VAL 86 -8.113 12.432 5.239 687 1HG1 VAL 86 1HG1 VAL 86 -9.135 15.004 4.043 688 2HG1 VAL 86 2HG1 VAL 86 -8.985 14.647 5.763 689 3HG1 VAL 86 3HG1 VAL 86 -10.122 13.738 4.770 690 1HG2 VAL 86 1HG2 VAL 86 -9.347 12.229 3.060 691 2HG2 VAL 86 2HG2 VAL 86 -7.670 11.685 3.023 692 3HG2 VAL 86 3HG2 VAL 86 -8.105 13.252 2.341 693 H VAL 87 H VAL 87 -7.517 16.249 4.587 694 HA VAL 87 HA VAL 87 -7.461 16.832 1.814 695 HB VAL 87 HB VAL 87 -7.513 18.773 4.132 696 1HG1 VAL 87 1HG1 VAL 87 -8.418 20.371 2.581 697 2HG1 VAL 87 2HG1 VAL 87 -8.430 19.173 1.287 698 3HG1 VAL 87 3HG1 VAL 87 -6.897 19.754 1.935 699 1HG2 VAL 87 1HG2 VAL 87 -9.654 18.265 4.479 700 2HG2 VAL 87 2HG2 VAL 87 -9.407 16.853 3.453 701 3HG2 VAL 87 3HG2 VAL 87 -10.024 18.351 2.757 702 H ALA 88 H ALA 88 -5.194 17.375 4.451 703 HA ALA 88 HA ALA 88 -3.384 18.863 2.728 704 1HB ALA 88 1HB ALA 88 -2.765 17.998 5.531 705 2HB ALA 88 2HB ALA 88 -3.842 19.357 5.207 706 3HB ALA 88 3HB ALA 88 -2.172 19.402 4.644 707 H GLY 89 H GLY 89 -3.953 15.617 3.550 708 1HA GLY 89 2HA GLY 89 -2.803 13.680 3.123 709 2HA GLY 89 1HA GLY 89 -1.927 14.608 1.916 710 H SER 90 H SER 90 -1.862 15.478 5.293 711 HA SER 90 HA SER 90 1.003 15.226 5.339 712 1HB SER 90 2HB SER 90 -0.436 17.036 6.492 713 2HB SER 90 1HB SER 90 -0.709 15.824 7.743 714 HG SER 90 HG SER 90 1.512 15.741 8.093 715 H ASP 91 H ASP 91 -1.738 13.447 6.595 716 HA ASP 91 HA ASP 91 0.097 11.564 7.916 717 1HB ASP 91 2HB ASP 91 -2.688 12.437 8.461 718 2HB ASP 91 1HB ASP 91 -2.313 10.747 8.782 719 HA PRO 92 HA PRO 92 -1.225 9.423 4.000 720 1HB PRO 92 2HB PRO 92 1.130 8.019 3.812 721 2HB PRO 92 1HB PRO 92 0.852 9.598 3.067 722 1HG PRO 92 2HG PRO 92 2.239 8.930 5.632 723 2HG PRO 92 1HG PRO 92 2.691 10.109 4.387 724 1HD PRO 92 2HD PRO 92 1.508 10.861 6.677 725 2HD PRO 92 1HD PRO 92 1.160 11.677 5.138 726 H LEU 93 H LEU 93 0.568 8.097 6.773 727 HA LEU 93 HA LEU 93 -0.191 5.426 6.473 728 1HB LEU 93 2HB LEU 93 0.402 6.954 9.009 729 2HB LEU 93 1HB LEU 93 0.327 5.207 8.883 730 HG LEU 93 HG LEU 93 2.336 7.006 7.528 731 1HD1 LEU 93 1HD1 LEU 93 3.828 5.412 9.000 732 2HD1 LEU 93 2HD1 LEU 93 2.360 5.317 9.973 733 3HD1 LEU 93 3HD1 LEU 93 3.118 6.881 9.670 734 1HD2 LEU 93 1HD2 LEU 93 1.718 4.098 7.250 735 2HD2 LEU 93 2HD2 LEU 93 3.379 4.664 7.076 736 3HD2 LEU 93 3HD2 LEU 93 2.119 5.284 6.009 737 H GLY 94 H GLY 94 -1.782 8.098 8.160 738 1HA GLY 94 2HA GLY 94 -3.843 6.557 9.336 739 2HA GLY 94 1HA GLY 94 -3.885 8.293 9.062 740 H LEU 95 H LEU 95 -3.577 8.197 6.225 741 HA LEU 95 HA LEU 95 -6.257 7.980 5.437 742 1HB LEU 95 2HB LEU 95 -3.857 8.890 4.308 743 2HB LEU 95 1HB LEU 95 -4.451 7.664 3.204 744 HG LEU 95 HG LEU 95 -6.350 9.765 4.141 745 1HD1 LEU 95 1HD1 LEU 95 -5.635 11.330 2.497 746 2HD1 LEU 95 2HD1 LEU 95 -4.417 10.215 1.877 747 3HD1 LEU 95 3HD1 LEU 95 -4.231 10.920 3.483 748 1HD2 LEU 95 1HD2 LEU 95 -7.122 7.892 2.762 749 2HD2 LEU 95 2HD2 LEU 95 -5.961 8.336 1.513 750 3HD2 LEU 95 3HD2 LEU 95 -7.281 9.432 1.919 751 H ILE 96 H ILE 96 -3.531 5.755 5.031 752 HA ILE 96 HA ILE 96 -4.899 3.847 3.462 753 HB ILE 96 HB ILE 96 -2.597 3.320 5.346 754 1HG1 ILE 96 2HG1 ILE 96 -2.046 5.167 3.847 755 2HG1 ILE 96 1HG1 ILE 96 -1.148 3.724 3.390 756 1HG2 ILE 96 1HG2 ILE 96 -2.390 1.284 4.417 757 2HG2 ILE 96 2HG2 ILE 96 -2.826 1.860 2.808 758 3HG2 ILE 96 3HG2 ILE 96 -4.086 1.508 3.989 759 1HD1 ILE 96 1HD1 ILE 96 -3.377 3.508 1.841 760 2HD1 ILE 96 2HD1 ILE 96 -1.839 4.202 1.327 761 3HD1 ILE 96 3HD1 ILE 96 -3.134 5.254 1.900 762 H ALA 97 H ALA 97 -4.448 4.189 6.954 763 HA ALA 97 HA ALA 97 -5.560 1.752 7.755 764 1HB ALA 97 1HB ALA 97 -6.061 3.000 9.908 765 2HB ALA 97 2HB ALA 97 -5.375 4.422 9.124 766 3HB ALA 97 3HB ALA 97 -4.380 2.988 9.376 767 H TYR 98 H TYR 98 -7.087 4.904 7.197 768 HA TYR 98 HA TYR 98 -9.696 4.072 7.945 769 1HB TYR 98 2HB TYR 98 -8.953 6.445 7.896 770 2HB TYR 98 1HB TYR 98 -8.904 6.365 6.137 771 HD1 TYR 98 1HD TYR 98 -10.556 7.921 5.533 772 HD2 TYR 98 2HD TYR 98 -11.472 4.902 8.387 773 HE1 TYR 98 1HE TYR 98 -12.929 8.558 5.437 774 HE2 TYR 98 2HE TYR 98 -13.847 5.529 8.298 775 HH TYR 98 HH TYR 98 -15.396 6.652 6.671 776 H LEU 99 H LEU 99 -7.959 4.215 4.881 777 HA LEU 99 HA LEU 99 -10.085 3.702 3.146 778 1HB LEU 99 2HB LEU 99 -7.392 4.096 2.875 779 2HB LEU 99 1HB LEU 99 -7.547 2.405 2.434 780 HG LEU 99 HG LEU 99 -7.658 3.723 0.437 781 1HD1 LEU 99 1HD1 LEU 99 -10.369 2.697 1.254 782 2HD1 LEU 99 2HD1 LEU 99 -9.093 1.801 0.429 783 3HD1 LEU 99 3HD1 LEU 99 -9.916 3.126 -0.396 784 1HD2 LEU 99 1HD2 LEU 99 -10.146 5.133 1.107 785 2HD2 LEU 99 2HD2 LEU 99 -8.733 5.684 0.209 786 3HD2 LEU 99 3HD2 LEU 99 -8.714 5.691 1.973 787 H SER 100 H SER 100 -8.071 1.504 5.027 788 HA SER 100 HA SER 100 -8.916 -0.910 3.888 789 1HB SER 100 2HB SER 100 -6.993 -0.517 5.531 790 2HB SER 100 1HB SER 100 -8.212 -0.580 6.803 791 HG SER 100 HG SER 100 -7.599 -2.641 6.634 792 H HIS 101 H HIS 101 -10.251 0.998 6.549 793 HA HIS 101 HA HIS 101 -12.243 -0.847 7.317 794 1HB HIS 101 2HB HIS 101 -11.338 1.566 8.274 795 2HB HIS 101 1HB HIS 101 -12.939 1.982 7.675 796 HD1 HIS 101 1HD HIS 101 -12.196 -1.363 9.219 797 HD2 HIS 101 2HD HIS 101 -14.076 2.210 10.194 798 HE1 HIS 101 1HE HIS 101 -13.424 -1.814 11.365 799 HE2 HIS 101 2HE HIS 101 -14.479 0.388 11.983 800 H PHE 102 H PHE 102 -12.246 1.844 5.022 801 HA PHE 102 HA PHE 102 -15.005 1.688 4.387 802 1HB PHE 102 2HB PHE 102 -12.708 3.226 3.537 803 2HB PHE 102 1HB PHE 102 -13.669 2.734 2.146 804 HD1 PHE 102 1HD PHE 102 -13.153 5.393 4.117 805 HD2 PHE 102 2HD PHE 102 -16.375 2.877 2.932 806 HE1 PHE 102 1HE PHE 102 -14.741 7.215 4.578 807 HE2 PHE 102 2HE PHE 102 -17.969 4.696 3.390 808 HZ PHE 102 HZ PHE 102 -17.152 6.869 4.214 809 H HIS 103 H HIS 103 -12.094 0.324 2.903 810 HA HIS 103 HA HIS 103 -13.343 -0.839 0.670 811 1HB HIS 103 2HB HIS 103 -10.857 -0.501 1.038 812 2HB HIS 103 1HB HIS 103 -10.899 -1.929 2.068 813 HD1 HIS 103 1HD HIS 103 -9.256 -3.070 0.359 814 HD2 HIS 103 2HD HIS 103 -13.013 -2.149 -1.157 815 HE1 HIS 103 1HE HIS 103 -9.450 -4.364 -1.787 816 HE2 HIS 103 2HE HIS 103 -11.693 -3.716 -2.735 817 H SER 104 H SER 104 -12.656 -2.111 3.904 818 HA SER 104 HA SER 104 -13.474 -4.748 3.487 819 1HB SER 104 2HB SER 104 -13.464 -3.012 5.957 820 2HB SER 104 1HB SER 104 -13.940 -4.709 5.999 821 HG SER 104 HG SER 104 -11.455 -3.754 5.014 822 H ALA 105 H ALA 105 -15.324 -1.843 4.120 823 HA ALA 105 HA ALA 105 -17.794 -3.266 4.561 824 1HB ALA 105 1HB ALA 105 -17.963 -1.327 5.713 825 2HB ALA 105 2HB ALA 105 -18.603 -0.736 4.179 826 3HB ALA 105 3HB ALA 105 -16.916 -0.449 4.597 827 H PHE 106 H PHE 106 -16.373 -1.316 1.962 828 HA PHE 106 HA PHE 106 -18.598 -1.469 0.224 829 1HB PHE 106 2HB PHE 106 -15.703 -0.772 -0.112 830 2HB PHE 106 1HB PHE 106 -16.725 -0.966 -1.532 831 HD1 PHE 106 1HD PHE 106 -17.665 0.466 1.760 832 HD2 PHE 106 2HD PHE 106 -16.858 1.208 -2.349 833 HE1 PHE 106 1HE PHE 106 -18.469 2.776 2.026 834 HE2 PHE 106 2HE PHE 106 -17.659 3.520 -2.094 835 HZ PHE 106 HZ PHE 106 -18.466 4.307 0.096 836 H LYS 107 H LYS 107 -15.832 -3.546 0.777 837 HA LYS 107 HA LYS 107 -16.213 -5.150 -1.557 838 1HB LYS 107 2HB LYS 107 -14.104 -4.834 -0.014 839 2HB LYS 107 1HB LYS 107 -14.809 -6.175 0.879 840 1HG LYS 107 2HG LYS 107 -13.352 -7.216 -0.585 841 2HG LYS 107 1HG LYS 107 -14.909 -7.360 -1.403 842 1HD LYS 107 2HD LYS 107 -14.343 -5.338 -2.726 843 2HD LYS 107 1HD LYS 107 -12.748 -5.332 -1.971 844 1HE LYS 107 2HE LYS 107 -12.021 -7.103 -3.184 845 2HE LYS 107 1HE LYS 107 -13.606 -7.871 -3.212 846 1HZ LYS 107 1HZ LYS 107 -13.534 -7.225 -5.353 847 2HZ LYS 107 2HZ LYS 107 -12.434 -5.971 -5.071 848 3HZ LYS 107 3HZ LYS 107 -14.075 -5.747 -4.729 849 H SER 108 H SER 108 -17.392 -5.222 1.731 850 HA SER 108 HA SER 108 -18.558 -7.866 1.390 851 1HB SER 108 2HB SER 108 -18.230 -5.972 3.683 852 2HB SER 108 1HB SER 108 -19.495 -7.197 3.769 853 HG SER 108 HG SER 108 -16.815 -7.828 3.123 854 H MET 109 H MET 109 -19.519 -4.500 1.472 855 HA MET 109 HA MET 109 -22.279 -5.327 0.855 856 1HB MET 109 2HB MET 109 -21.276 -2.952 2.417 857 2HB MET 109 1HB MET 109 -22.911 -3.039 1.777 858 1HG MET 109 2HG MET 109 -23.058 -5.272 3.046 859 2HG MET 109 1HG MET 109 -21.637 -4.696 3.915 860 1HE MET 109 1HE MET 109 -23.146 -1.176 5.113 861 2HE MET 109 2HE MET 109 -22.072 -1.689 3.812 862 3HE MET 109 3HE MET 109 -21.779 -2.234 5.463 Start of MODEL 16 1 1H MET -8 1HT MET -8 28.095 1.301 0.854 2 2H MET -8 2HT MET -8 26.747 0.242 0.786 3 3H MET -8 3HT MET -8 26.991 1.400 -0.454 4 HA MET -8 HA MET -8 28.880 0.320 -1.234 5 1HB MET -8 2HB MET -8 29.634 -0.254 1.115 6 2HB MET -8 1HB MET -8 28.550 -1.637 1.046 7 1HG MET -8 2HG MET -8 29.889 -2.797 -0.352 8 2HG MET -8 1HG MET -8 30.462 -1.352 -1.183 9 1HE MET -8 1HE MET -8 32.441 0.348 1.394 10 2HE MET -8 2HE MET -8 31.768 0.328 -0.237 11 3HE MET -8 3HE MET -8 33.408 -0.256 0.048 12 H GLY -7 H GLY -7 28.130 -0.582 -3.033 13 1HA GLY -7 2HA GLY -7 27.089 -2.087 -4.430 14 2HA GLY -7 1HA GLY -7 26.767 -3.087 -3.022 15 H HIS -6 H HIS -6 24.835 -3.137 -4.782 16 HA HIS -6 HA HIS -6 22.652 -1.838 -3.426 17 1HB HIS -6 2HB HIS -6 23.507 -0.146 -5.115 18 2HB HIS -6 1HB HIS -6 22.989 -1.266 -6.371 19 HD1 HIS -6 1HD HIS -6 21.858 1.704 -5.210 20 HD2 HIS -6 2HD HIS -6 20.030 -2.026 -5.346 21 HE1 HIS -6 1HE HIS -6 19.387 2.162 -5.131 22 HE2 HIS -6 2HE HIS -6 18.304 -0.112 -5.126 23 H HIS -5 H HIS -5 22.353 -4.162 -3.082 24 HA HIS -5 HA HIS -5 20.509 -5.236 -5.012 25 1HB HIS -5 2HB HIS -5 22.885 -5.928 -5.746 26 2HB HIS -5 1HB HIS -5 22.863 -6.987 -4.341 27 HD1 HIS -5 1HD HIS -5 22.114 -7.004 -7.825 28 HD2 HIS -5 2HD HIS -5 20.428 -8.767 -4.460 29 HE1 HIS -5 1HE HIS -5 20.726 -8.914 -8.691 30 HE2 HIS -5 2HE HIS -5 19.646 -9.911 -6.644 31 H HIS -4 H HIS -4 19.239 -4.839 -3.063 32 HA HIS -4 HA HIS -4 19.734 -6.408 -0.712 33 1HB HIS -4 2HB HIS -4 18.149 -4.178 -1.358 34 2HB HIS -4 1HB HIS -4 17.014 -5.446 -0.906 35 HD1 HIS -4 1HD HIS -4 19.354 -3.007 0.499 36 HD2 HIS -4 2HD HIS -4 17.453 -6.476 1.772 37 HE1 HIS -4 1HE HIS -4 19.553 -3.001 3.005 38 HE2 HIS -4 2HE HIS -4 18.479 -5.156 3.745 39 H HIS -3 H HIS -3 17.622 -7.621 0.141 40 HA HIS -3 HA HIS -3 17.368 -9.921 -1.515 41 1HB HIS -3 2HB HIS -3 17.308 -9.844 1.032 42 2HB HIS -3 1HB HIS -3 15.650 -9.271 0.880 43 HD1 HIS -3 1HD HIS -3 16.269 -11.938 2.277 44 HD2 HIS -3 2HD HIS -3 15.297 -11.585 -1.748 45 HE1 HIS -3 1HE HIS -3 15.373 -14.190 1.600 46 HE2 HIS -3 2HE HIS -3 14.876 -13.976 -0.860 47 H HIS -2 H HIS -2 14.880 -7.670 -0.293 48 HA HIS -2 HA HIS -2 13.286 -8.294 -2.692 49 1HB HIS -2 2HB HIS -2 11.325 -7.530 -1.254 50 2HB HIS -2 1HB HIS -2 12.063 -9.069 -0.819 51 HD1 HIS -2 1HD HIS -2 11.195 -5.787 0.533 52 HD2 HIS -2 2HD HIS -2 13.789 -8.881 1.518 53 HE1 HIS -2 1HE HIS -2 11.855 -5.375 2.924 54 HE2 HIS -2 2HE HIS -2 13.488 -7.214 3.473 55 H HIS -1 H HIS -1 12.843 -6.682 -4.048 56 HA HIS -1 HA HIS -1 13.467 -3.940 -3.182 57 1HB HIS -1 2HB HIS -1 13.309 -4.984 -6.014 58 2HB HIS -1 1HB HIS -1 13.909 -3.411 -5.496 59 HD1 HIS -1 1HD HIS -1 15.790 -5.013 -7.153 60 HD2 HIS -1 2HD HIS -1 15.596 -5.416 -3.022 61 HE1 HIS -1 1HE HIS -1 18.008 -5.978 -6.467 62 HE2 HIS -1 2HE HIS -1 17.833 -6.299 -3.974 63 H MET 0 H MET 0 11.217 -5.755 -5.263 64 HA MET 0 HA MET 0 9.334 -3.538 -5.208 65 1HB MET 0 2HB MET 0 9.909 -5.080 -7.238 66 2HB MET 0 1HB MET 0 8.773 -6.191 -6.485 67 1HG MET 0 2HG MET 0 6.974 -4.907 -6.971 68 2HG MET 0 1HG MET 0 7.876 -3.398 -6.845 69 1HE MET 0 1HE MET 0 6.451 -2.559 -8.998 70 2HE MET 0 2HE MET 0 7.508 -2.473 -10.407 71 3HE MET 0 3HE MET 0 8.103 -1.970 -8.824 72 H GLY 1 H GLY 1 6.976 -4.110 -4.837 73 1HA GLY 1 2HA GLY 1 5.606 -5.929 -3.691 74 2HA GLY 1 1HA GLY 1 6.811 -5.794 -2.420 75 H SER 2 H SER 2 7.001 -2.856 -2.809 76 HA SER 2 HA SER 2 4.670 -2.167 -1.189 77 1HB SER 2 2HB SER 2 7.421 -1.126 -1.479 78 2HB SER 2 1HB SER 2 6.177 0.093 -1.198 79 HG SER 2 HG SER 2 6.133 -0.523 0.799 80 H ALA 3 H ALA 3 6.241 -1.313 -4.218 81 HA ALA 3 HA ALA 3 4.491 0.872 -4.808 82 1HB ALA 3 1HB ALA 3 5.579 0.965 -6.929 83 2HB ALA 3 2HB ALA 3 6.200 -0.675 -6.747 84 3HB ALA 3 3HB ALA 3 6.807 0.619 -5.713 85 H GLY 4 H GLY 4 4.485 -2.568 -5.427 86 1HA GLY 4 2HA GLY 4 2.505 -2.549 -7.470 87 2HA GLY 4 1HA GLY 4 2.984 -3.937 -6.506 88 H THR 5 H THR 5 2.312 -3.255 -3.983 89 HA THR 5 HA THR 5 -0.449 -3.721 -3.903 90 HB THR 5 HB THR 5 -0.038 -2.830 -1.420 91 HG1 THR 5 1HG THR 5 1.962 -2.024 -1.548 92 1HG2 THR 5 1HG2 THR 5 -0.470 -5.177 -2.048 93 2HG2 THR 5 2HG2 THR 5 0.704 -5.001 -0.744 94 3HG2 THR 5 3HG2 THR 5 1.252 -5.369 -2.379 95 H GLN 6 H GLN 6 1.407 -0.742 -3.389 96 HA GLN 6 HA GLN 6 -0.782 0.901 -2.732 97 1HB GLN 6 2HB GLN 6 1.880 1.256 -2.699 98 2HB GLN 6 1HB GLN 6 1.503 2.107 -4.190 99 1HG GLN 6 2HG GLN 6 0.520 3.815 -3.120 100 2HG GLN 6 1HG GLN 6 -0.228 2.767 -1.916 101 1HE2 GLN 6 1HE2 GLN 6 1.324 1.821 -0.308 102 2HE2 GLN 6 2HE2 GLN 6 2.561 2.864 0.296 103 H GLU 7 H GLU 7 0.574 -0.105 -5.798 104 HA GLU 7 HA GLU 7 -0.757 1.801 -7.417 105 1HB GLU 7 2HB GLU 7 0.813 -0.655 -7.836 106 2HB GLU 7 1HB GLU 7 -0.369 -0.313 -9.093 107 1HG GLU 7 2HG GLU 7 0.706 1.566 -9.795 108 2HG GLU 7 1HG GLU 7 1.391 1.902 -8.205 109 H GLU 8 H GLU 8 -1.543 -1.567 -6.565 110 HA GLU 8 HA GLU 8 -3.910 -1.685 -8.098 111 1HB GLU 8 2HB GLU 8 -4.355 -3.746 -7.030 112 2HB GLU 8 1HB GLU 8 -2.607 -3.642 -7.157 113 1HG GLU 8 2HG GLU 8 -2.482 -4.069 -4.993 114 2HG GLU 8 1HG GLU 8 -3.243 -2.513 -4.682 115 H LEU 9 H LEU 9 -3.231 -0.520 -4.877 116 HA LEU 9 HA LEU 9 -5.903 -0.426 -3.942 117 1HB LEU 9 2HB LEU 9 -3.424 1.089 -3.145 118 2HB LEU 9 1HB LEU 9 -4.960 1.278 -2.321 119 HG LEU 9 HG LEU 9 -3.570 -1.383 -2.579 120 1HD1 LEU 9 1HD1 LEU 9 -2.445 0.667 -1.260 121 2HD1 LEU 9 2HD1 LEU 9 -2.317 -1.013 -0.742 122 3HD1 LEU 9 3HD1 LEU 9 -3.516 0.049 -0.004 123 1HD2 LEU 9 1HD2 LEU 9 -6.006 -0.361 -1.251 124 2HD2 LEU 9 2HD2 LEU 9 -5.039 -1.530 -0.353 125 3HD2 LEU 9 3HD2 LEU 9 -5.670 -1.948 -1.945 126 H LEU 10 H LEU 10 -3.812 2.000 -5.475 127 HA LEU 10 HA LEU 10 -5.661 4.121 -5.391 128 1HB LEU 10 2HB LEU 10 -3.042 3.758 -6.256 129 2HB LEU 10 1HB LEU 10 -3.914 4.189 -7.715 130 HG LEU 10 HG LEU 10 -3.935 5.816 -5.172 131 1HD1 LEU 10 1HD1 LEU 10 -2.395 6.222 -7.731 132 2HD1 LEU 10 2HD1 LEU 10 -1.719 5.814 -6.155 133 3HD1 LEU 10 3HD1 LEU 10 -2.498 7.377 -6.401 134 1HD2 LEU 10 1HD2 LEU 10 -5.829 5.828 -7.061 135 2HD2 LEU 10 2HD2 LEU 10 -4.681 6.944 -7.801 136 3HD2 LEU 10 3HD2 LEU 10 -5.327 7.280 -6.195 137 H ARG 11 H ARG 11 -5.157 1.507 -7.672 138 HA ARG 11 HA ARG 11 -6.777 2.515 -9.757 139 1HB ARG 11 2HB ARG 11 -5.983 -0.305 -9.028 140 2HB ARG 11 1HB ARG 11 -6.871 0.106 -10.489 141 1HG ARG 11 2HG ARG 11 -4.739 1.814 -10.606 142 2HG ARG 11 1HG ARG 11 -4.031 0.370 -9.879 143 1HD ARG 11 2HD ARG 11 -5.415 -0.805 -11.820 144 2HD ARG 11 1HD ARG 11 -5.198 0.772 -12.579 145 HE ARG 11 HE ARG 11 -2.772 -0.350 -11.518 146 1HH1 ARG 11 1HH1 ARG 11 -4.902 -0.226 -14.282 147 2HH1 ARG 11 2HH1 ARG 11 -3.663 -0.667 -15.411 148 1HH2 ARG 11 1HH2 ARG 11 -1.145 -0.930 -13.002 149 2HH2 ARG 11 2HH2 ARG 11 -1.532 -1.067 -14.685 150 H TRP 12 H TRP 12 -7.466 0.534 -6.925 151 HA TRP 12 HA TRP 12 -10.137 -0.107 -7.618 152 1HB TRP 12 2HB TRP 12 -8.838 -1.361 -5.932 153 2HB TRP 12 1HB TRP 12 -8.868 0.047 -4.875 154 HD1 TRP 12 HD TRP 12 -11.357 -2.443 -6.494 155 HE1 TRP 12 1HE TRP 12 -13.378 -2.682 -4.919 156 HE3 TRP 12 3HE TRP 12 -10.050 1.019 -2.965 157 HZ2 TRP 12 2HZ TRP 12 -14.297 -1.551 -2.501 158 HZ3 TRP 12 3HZ TRP 12 -11.554 1.379 -1.053 159 HH2 TRP 12 HH TRP 12 -13.634 0.120 -0.827 160 H CYS 13 H CYS 13 -8.677 2.532 -5.788 161 HA CYS 13 HA CYS 13 -11.126 3.662 -4.897 162 1HB CYS 13 2HB CYS 13 -8.949 4.118 -3.815 163 2HB CYS 13 1HB CYS 13 -8.434 4.996 -5.251 164 HG CYS 13 HG CYS 13 -9.279 6.875 -3.854 165 H GLN 14 H GLN 14 -8.967 4.383 -7.620 166 HA GLN 14 HA GLN 14 -10.366 6.596 -8.616 167 1HB GLN 14 2HB GLN 14 -8.073 5.923 -9.306 168 2HB GLN 14 1HB GLN 14 -8.768 4.577 -10.199 169 1HG GLN 14 2HG GLN 14 -10.178 6.587 -11.265 170 2HG GLN 14 1HG GLN 14 -8.700 7.452 -10.844 171 1HE2 GLN 14 1HE2 GLN 14 -10.216 5.531 -13.120 172 2HE2 GLN 14 2HE2 GLN 14 -8.838 5.118 -14.076 173 H GLU 15 H GLU 15 -10.763 3.139 -9.198 174 HA GLU 15 HA GLU 15 -12.651 3.369 -11.290 175 1HB GLU 15 2HB GLU 15 -11.292 1.309 -10.575 176 2HB GLU 15 1HB GLU 15 -12.530 1.070 -9.350 177 1HG GLU 15 2HG GLU 15 -14.214 0.755 -10.992 178 2HG GLU 15 1HG GLU 15 -13.138 1.286 -12.284 179 H GLN 16 H GLN 16 -12.997 2.945 -7.789 180 HA GLN 16 HA GLN 16 -15.830 2.856 -7.797 181 1HB GLN 16 2HB GLN 16 -13.971 3.639 -5.546 182 2HB GLN 16 1HB GLN 16 -15.656 3.167 -5.378 183 1HG GLN 16 2HG GLN 16 -13.759 1.285 -6.686 184 2HG GLN 16 1HG GLN 16 -13.722 1.464 -4.932 185 1HE2 GLN 16 1HE2 GLN 16 -16.224 1.669 -4.160 186 2HE2 GLN 16 2HE2 GLN 16 -17.164 0.299 -4.633 187 H THR 17 H THR 17 -13.515 5.452 -7.792 188 HA THR 17 HA THR 17 -15.536 7.434 -7.118 189 HB THR 17 HB THR 17 -12.665 7.932 -7.899 190 HG1 THR 17 1HG THR 17 -12.067 7.360 -5.969 191 1HG2 THR 17 1HG2 THR 17 -14.684 9.726 -7.402 192 2HG2 THR 17 2HG2 THR 17 -12.952 10.050 -7.310 193 3HG2 THR 17 3HG2 THR 17 -13.846 9.612 -5.854 194 H ALA 18 H ALA 18 -14.888 5.789 -9.834 195 HA ALA 18 HA ALA 18 -14.835 7.988 -11.713 196 1HB ALA 18 1HB ALA 18 -15.270 5.909 -13.305 197 2HB ALA 18 2HB ALA 18 -14.687 5.031 -11.892 198 3HB ALA 18 3HB ALA 18 -13.675 6.265 -12.642 199 H GLY 19 H GLY 19 -16.529 8.837 -12.793 200 1HA GLY 19 2HA GLY 19 -18.788 8.080 -13.780 201 2HA GLY 19 1HA GLY 19 -19.192 7.796 -12.095 202 H TYR 20 H TYR 20 -17.531 10.209 -11.345 203 HA TYR 20 HA TYR 20 -19.682 12.124 -11.653 204 1HB TYR 20 2HB TYR 20 -17.070 12.503 -10.186 205 2HB TYR 20 1HB TYR 20 -18.555 13.425 -9.981 206 HD1 TYR 20 1HD TYR 20 -20.240 12.702 -8.487 207 HD2 TYR 20 2HD TYR 20 -17.017 10.099 -9.451 208 HE1 TYR 20 1HE TYR 20 -20.945 11.173 -6.694 209 HE2 TYR 20 2HE TYR 20 -17.713 8.563 -7.661 210 HH TYR 20 HH TYR 20 -19.858 8.032 -6.423 211 HA PRO 21 HA PRO 21 -17.821 14.317 -15.020 212 1HB PRO 21 2HB PRO 21 -19.025 16.732 -14.710 213 2HB PRO 21 1HB PRO 21 -19.867 15.313 -15.345 214 1HG PRO 21 2HG PRO 21 -19.894 16.449 -12.575 215 2HG PRO 21 1HG PRO 21 -21.246 15.836 -13.545 216 1HD PRO 21 2HD PRO 21 -20.075 14.369 -11.598 217 2HD PRO 21 1HD PRO 21 -20.758 13.635 -13.062 218 H GLY 22 H GLY 22 -15.878 14.087 -13.313 219 1HA GLY 22 2HA GLY 22 -14.104 16.036 -13.563 220 2HA GLY 22 1HA GLY 22 -15.084 16.689 -12.259 221 H VAL 23 H VAL 23 -14.217 13.313 -12.843 222 HA VAL 23 HA VAL 23 -13.144 13.175 -10.137 223 HB VAL 23 HB VAL 23 -14.766 11.461 -10.859 224 1HG1 VAL 23 1HG1 VAL 23 -12.616 10.420 -12.689 225 2HG1 VAL 23 2HG1 VAL 23 -13.961 11.416 -13.245 226 3HG1 VAL 23 3HG1 VAL 23 -14.274 9.840 -12.519 227 1HG2 VAL 23 1HG2 VAL 23 -13.147 9.453 -10.346 228 2HG2 VAL 23 2HG2 VAL 23 -13.527 10.653 -9.110 229 3HG2 VAL 23 3HG2 VAL 23 -12.006 10.752 -9.997 230 H HIS 24 H HIS 24 -11.061 13.329 -9.759 231 HA HIS 24 HA HIS 24 -9.155 12.379 -11.784 232 1HB HIS 24 2HB HIS 24 -9.556 15.078 -11.055 233 2HB HIS 24 1HB HIS 24 -8.040 14.589 -10.309 234 HD1 HIS 24 1HD HIS 24 -9.624 14.162 -13.753 235 HD2 HIS 24 2HD HIS 24 -5.975 15.048 -11.974 236 HE1 HIS 24 1HE HIS 24 -8.028 14.561 -15.655 237 HE2 HIS 24 2HE HIS 24 -5.806 15.007 -14.555 238 H VAL 25 H VAL 25 -9.275 10.487 -10.334 239 HA VAL 25 HA VAL 25 -7.886 10.837 -7.780 240 HB VAL 25 HB VAL 25 -9.166 8.320 -8.842 241 1HG1 VAL 25 1HG1 VAL 25 -8.632 9.041 -5.977 242 2HG1 VAL 25 2HG1 VAL 25 -7.416 8.247 -6.978 243 3HG1 VAL 25 3HG1 VAL 25 -8.962 7.455 -6.675 244 1HG2 VAL 25 1HG2 VAL 25 -10.332 10.681 -7.474 245 2HG2 VAL 25 2HG2 VAL 25 -10.898 9.085 -6.982 246 3HG2 VAL 25 3HG2 VAL 25 -11.046 9.595 -8.665 247 H SER 26 H SER 26 -5.758 11.106 -8.479 248 HA SER 26 HA SER 26 -4.438 8.627 -9.228 249 1HB SER 26 2HB SER 26 -4.504 11.080 -10.930 250 2HB SER 26 1HB SER 26 -3.006 10.152 -10.858 251 HG SER 26 HG SER 26 -4.061 8.388 -11.667 252 H ASP 27 H ASP 27 -4.658 10.578 -6.927 253 HA ASP 27 HA ASP 27 -1.778 10.769 -6.426 254 1HB ASP 27 2HB ASP 27 -3.716 12.996 -5.768 255 2HB ASP 27 1HB ASP 27 -1.978 12.995 -5.487 256 H LEU 28 H LEU 28 -1.179 10.592 -4.240 257 HA LEU 28 HA LEU 28 -3.274 9.439 -2.544 258 1HB LEU 28 2HB LEU 28 -0.267 9.255 -2.340 259 2HB LEU 28 1HB LEU 28 -1.400 8.482 -1.247 260 HG LEU 28 HG LEU 28 -2.289 7.449 -3.553 261 1HD1 LEU 28 1HD1 LEU 28 -0.907 8.166 -5.194 262 2HD1 LEU 28 2HD1 LEU 28 0.068 6.806 -4.639 263 3HD1 LEU 28 3HD1 LEU 28 0.441 8.441 -4.093 264 1HD2 LEU 28 1HD2 LEU 28 -1.210 6.445 -1.359 265 2HD2 LEU 28 2HD2 LEU 28 0.155 6.173 -2.443 266 3HD2 LEU 28 3HD2 LEU 28 -1.421 5.472 -2.814 267 H SER 29 H SER 29 -3.225 12.237 -2.765 268 HA SER 29 HA SER 29 -3.200 12.981 -0.048 269 1HB SER 29 2HB SER 29 -0.820 13.047 -0.149 270 2HB SER 29 1HB SER 29 -0.839 13.888 -1.699 271 HG SER 29 HG SER 29 -1.619 15.714 -0.668 272 H SER 30 H SER 30 -2.133 15.021 -2.745 273 HA SER 30 HA SER 30 -3.962 17.062 -2.276 274 1HB SER 30 2HB SER 30 -2.193 16.290 -4.535 275 2HB SER 30 1HB SER 30 -3.486 17.435 -4.893 276 HG SER 30 HG SER 30 -2.056 18.807 -4.149 277 H SER 31 H SER 31 -4.422 14.033 -3.848 278 HA SER 31 HA SER 31 -6.606 14.699 -5.509 279 1HB SER 31 2HB SER 31 -5.216 12.303 -4.673 280 2HB SER 31 1HB SER 31 -6.957 12.032 -4.718 281 HG SER 31 HG SER 31 -6.447 11.702 -6.764 282 H TRP 32 H TRP 32 -6.348 13.941 -2.111 283 HA TRP 32 HA TRP 32 -9.252 13.797 -1.836 284 1HB TRP 32 2HB TRP 32 -7.231 13.522 0.385 285 2HB TRP 32 1HB TRP 32 -8.890 12.935 0.344 286 HD1 TRP 32 HD TRP 32 -5.546 12.250 -1.509 287 HE1 TRP 32 1HE TRP 32 -5.465 9.745 -2.093 288 HE3 TRP 32 3HE TRP 32 -10.156 10.866 0.219 289 HZ2 TRP 32 2HZ TRP 32 -7.134 7.481 -1.850 290 HZ3 TRP 32 3HZ TRP 32 -10.836 8.510 0.005 291 HH2 TRP 32 HH TRP 32 -9.356 6.854 -1.008 292 H ALA 33 H ALA 33 -7.406 16.291 -2.274 293 HA ALA 33 HA ALA 33 -7.527 17.935 -0.034 294 1HB ALA 33 1HB ALA 33 -7.774 19.742 -2.014 295 2HB ALA 33 2HB ALA 33 -7.219 18.343 -2.936 296 3HB ALA 33 3HB ALA 33 -6.254 18.953 -1.590 297 H ASP 34 H ASP 34 -9.806 17.901 -2.789 298 HA ASP 34 HA ASP 34 -11.704 19.507 -1.340 299 1HB ASP 34 2HB ASP 34 -13.161 19.049 -3.374 300 2HB ASP 34 1HB ASP 34 -11.645 19.892 -3.680 301 H GLY 35 H GLY 35 -10.915 16.313 -1.098 302 1HA GLY 35 2HA GLY 35 -11.946 14.566 -0.021 303 2HA GLY 35 1HA GLY 35 -13.221 15.686 0.429 304 H LEU 36 H LEU 36 -12.300 15.020 -2.888 305 HA LEU 36 HA LEU 36 -14.995 14.330 -3.562 306 1HB LEU 36 2HB LEU 36 -12.518 14.928 -4.965 307 2HB LEU 36 1HB LEU 36 -13.407 13.624 -5.727 308 HG LEU 36 HG LEU 36 -15.101 15.902 -5.036 309 1HD1 LEU 36 1HD1 LEU 36 -12.553 16.410 -6.322 310 2HD1 LEU 36 2HD1 LEU 36 -13.764 17.543 -5.717 311 3HD1 LEU 36 3HD1 LEU 36 -13.918 16.870 -7.340 312 1HD2 LEU 36 1HD2 LEU 36 -16.085 15.448 -7.099 313 2HD2 LEU 36 2HD2 LEU 36 -15.557 13.865 -6.531 314 3HD2 LEU 36 3HD2 LEU 36 -14.615 14.725 -7.749 315 H ALA 37 H ALA 37 -11.963 12.547 -3.218 316 HA ALA 37 HA ALA 37 -12.826 10.079 -4.210 317 1HB ALA 37 1HB ALA 37 -10.674 10.893 -2.302 318 2HB ALA 37 2HB ALA 37 -10.533 10.248 -3.937 319 3HB ALA 37 3HB ALA 37 -10.999 9.187 -2.607 320 H LEU 38 H LEU 38 -12.851 11.337 -0.884 321 HA LEU 38 HA LEU 38 -13.969 9.013 0.280 322 1HB LEU 38 2HB LEU 38 -12.764 11.053 1.363 323 2HB LEU 38 1HB LEU 38 -14.370 11.753 1.418 324 HG LEU 38 HG LEU 38 -14.327 9.050 2.496 325 1HD1 LEU 38 1HD1 LEU 38 -13.145 9.749 4.603 326 2HD1 LEU 38 2HD1 LEU 38 -12.507 11.122 3.698 327 3HD1 LEU 38 3HD1 LEU 38 -12.106 9.477 3.204 328 1HD2 LEU 38 1HD2 LEU 38 -16.201 10.180 3.109 329 2HD2 LEU 38 2HD2 LEU 38 -15.374 11.738 3.181 330 3HD2 LEU 38 3HD2 LEU 38 -15.183 10.575 4.495 331 H CYS 39 H CYS 39 -15.419 12.064 -0.815 332 HA CYS 39 HA CYS 39 -18.058 11.455 -0.043 333 1HB CYS 39 2HB CYS 39 -16.817 13.663 -1.038 334 2HB CYS 39 1HB CYS 39 -17.735 13.139 -2.443 335 HG CYS 39 HG CYS 39 -19.064 14.826 -0.807 336 H ALA 40 H ALA 40 -16.303 10.936 -3.071 337 HA ALA 40 HA ALA 40 -18.422 10.047 -4.650 338 1HB ALA 40 1HB ALA 40 -16.596 10.345 -5.952 339 2HB ALA 40 2HB ALA 40 -16.408 8.613 -5.678 340 3HB ALA 40 3HB ALA 40 -15.482 9.765 -4.715 341 H LEU 41 H LEU 41 -16.227 8.184 -2.562 342 HA LEU 41 HA LEU 41 -17.244 5.642 -3.137 343 1HB LEU 41 2HB LEU 41 -16.093 6.590 -0.511 344 2HB LEU 41 1HB LEU 41 -16.205 4.928 -1.059 345 HG LEU 41 HG LEU 41 -14.694 6.787 -2.800 346 1HD1 LEU 41 1HD1 LEU 41 -14.163 7.055 -0.180 347 2HD1 LEU 41 2HD1 LEU 41 -12.937 7.184 -1.441 348 3HD1 LEU 41 3HD1 LEU 41 -13.138 5.670 -0.558 349 1HD2 LEU 41 1HD2 LEU 41 -13.671 4.896 -3.500 350 2HD2 LEU 41 2HD2 LEU 41 -15.123 4.142 -2.841 351 3HD2 LEU 41 3HD2 LEU 41 -13.642 4.184 -1.885 352 H VAL 42 H VAL 42 -18.047 7.832 -0.445 353 HA VAL 42 HA VAL 42 -20.031 6.244 0.720 354 HB VAL 42 HB VAL 42 -20.009 9.263 0.693 355 1HG1 VAL 42 1HG1 VAL 42 -22.011 7.991 1.600 356 2HG1 VAL 42 2HG1 VAL 42 -21.250 9.148 2.692 357 3HG1 VAL 42 3HG1 VAL 42 -20.940 7.423 2.881 358 1HG2 VAL 42 1HG2 VAL 42 -18.802 7.990 3.010 359 2HG2 VAL 42 2HG2 VAL 42 -18.209 9.316 2.010 360 3HG2 VAL 42 3HG2 VAL 42 -17.923 7.646 1.521 361 H TYR 43 H TYR 43 -20.247 8.744 -1.778 362 HA TYR 43 HA TYR 43 -23.031 8.829 -2.029 363 1HB TYR 43 2HB TYR 43 -21.532 10.486 -3.046 364 2HB TYR 43 1HB TYR 43 -20.928 9.265 -4.163 365 HD1 TYR 43 1HD TYR 43 -23.799 11.387 -3.293 366 HD2 TYR 43 2HD TYR 43 -22.222 8.586 -6.079 367 HE1 TYR 43 1HE TYR 43 -25.583 11.972 -4.880 368 HE2 TYR 43 2HE TYR 43 -24.003 9.163 -7.675 369 HH TYR 43 HH TYR 43 -26.027 11.879 -7.267 370 H ARG 44 H ARG 44 -20.638 6.682 -3.483 371 HA ARG 44 HA ARG 44 -22.346 5.423 -5.333 372 1HB ARG 44 2HB ARG 44 -19.847 5.267 -5.322 373 2HB ARG 44 1HB ARG 44 -19.964 4.194 -3.933 374 1HG ARG 44 2HG ARG 44 -20.901 2.475 -5.180 375 2HG ARG 44 1HG ARG 44 -21.413 3.559 -6.472 376 1HD ARG 44 2HD ARG 44 -18.525 3.547 -6.030 377 2HD ARG 44 1HD ARG 44 -19.174 1.976 -6.499 378 HE ARG 44 HE ARG 44 -20.040 4.211 -8.122 379 1HH1 ARG 44 1HH1 ARG 44 -17.716 1.635 -7.717 380 2HH1 ARG 44 2HH1 ARG 44 -17.274 1.605 -9.391 381 1HH2 ARG 44 1HH2 ARG 44 -19.456 4.170 -10.321 382 2HH2 ARG 44 2HH2 ARG 44 -18.260 3.043 -10.868 383 H LEU 45 H LEU 45 -21.559 4.688 -1.963 384 HA LEU 45 HA LEU 45 -23.208 2.330 -1.913 385 1HB LEU 45 2HB LEU 45 -21.643 3.873 0.120 386 2HB LEU 45 1HB LEU 45 -22.822 2.690 0.652 387 HG LEU 45 HG LEU 45 -20.487 1.826 0.543 388 1HD1 LEU 45 1HD1 LEU 45 -21.131 -0.213 -0.885 389 2HD1 LEU 45 2HD1 LEU 45 -22.689 0.593 -1.070 390 3HD1 LEU 45 3HD1 LEU 45 -22.107 0.158 0.537 391 1HD2 LEU 45 1HD2 LEU 45 -19.781 3.081 -1.446 392 2HD2 LEU 45 2HD2 LEU 45 -20.869 2.107 -2.437 393 3HD2 LEU 45 3HD2 LEU 45 -19.499 1.350 -1.621 394 H GLN 46 H GLN 46 -23.512 5.697 -0.962 395 HA GLN 46 HA GLN 46 -26.402 5.355 -0.760 396 1HB GLN 46 2HB GLN 46 -24.617 6.274 1.470 397 2HB GLN 46 1HB GLN 46 -26.255 6.902 1.340 398 1HG GLN 46 2HG GLN 46 -25.915 3.966 1.204 399 2HG GLN 46 1HG GLN 46 -25.649 4.745 2.763 400 1HE2 GLN 46 1HE2 GLN 46 -27.400 4.316 3.920 401 2HE2 GLN 46 2HE2 GLN 46 -29.030 4.595 3.421 402 HA PRO 47 HA PRO 47 -25.097 9.161 -3.050 403 1HB PRO 47 2HB PRO 47 -26.874 8.875 -5.075 404 2HB PRO 47 1HB PRO 47 -25.295 8.082 -5.069 405 1HG PRO 47 2HG PRO 47 -27.978 6.964 -4.347 406 2HG PRO 47 1HG PRO 47 -26.681 6.229 -5.307 407 1HD PRO 47 2HD PRO 47 -27.107 5.610 -2.702 408 2HD PRO 47 1HD PRO 47 -25.491 5.592 -3.439 409 H GLY 48 H GLY 48 -28.365 7.923 -2.486 410 1HA GLY 48 2HA GLY 48 -29.743 10.352 -2.707 411 2HA GLY 48 1HA GLY 48 -30.288 8.962 -1.782 412 H LEU 49 H LEU 49 -27.915 8.999 -0.049 413 HA LEU 49 HA LEU 49 -28.825 11.128 1.735 414 1HB LEU 49 2HB LEU 49 -27.209 8.629 2.167 415 2HB LEU 49 1HB LEU 49 -27.356 9.865 3.401 416 HG LEU 49 HG LEU 49 -28.913 7.941 3.686 417 1HD1 LEU 49 1HD1 LEU 49 -31.020 9.586 3.680 418 2HD1 LEU 49 2HD1 LEU 49 -29.728 10.775 3.514 419 3HD1 LEU 49 3HD1 LEU 49 -29.738 9.670 4.888 420 1HD2 LEU 49 1HD2 LEU 49 -29.336 7.579 1.272 421 2HD2 LEU 49 2HD2 LEU 49 -30.288 9.062 1.250 422 3HD2 LEU 49 3HD2 LEU 49 -30.812 7.694 2.231 423 H LEU 50 H LEU 50 -26.994 11.550 -0.609 424 HA LEU 50 HA LEU 50 -25.052 13.158 0.819 425 1HB LEU 50 2HB LEU 50 -24.342 10.746 -0.756 426 2HB LEU 50 1HB LEU 50 -23.320 12.158 -0.955 427 HG LEU 50 HG LEU 50 -23.478 11.994 1.766 428 1HD1 LEU 50 1HD1 LEU 50 -23.142 9.684 2.405 429 2HD1 LEU 50 2HD1 LEU 50 -23.363 9.165 0.734 430 3HD1 LEU 50 3HD1 LEU 50 -24.711 9.872 1.622 431 1HD2 LEU 50 1HD2 LEU 50 -21.513 10.938 -0.231 432 2HD2 LEU 50 2HD2 LEU 50 -21.224 10.766 1.500 433 3HD2 LEU 50 3HD2 LEU 50 -21.405 12.371 0.792 434 H GLU 51 H GLU 51 -23.639 14.380 -0.847 435 HA GLU 51 HA GLU 51 -24.822 14.822 -3.431 436 1HB GLU 51 2HB GLU 51 -25.010 16.964 -1.303 437 2HB GLU 51 1HB GLU 51 -25.281 17.241 -3.018 438 1HG GLU 51 2HG GLU 51 -27.081 15.447 -2.853 439 2HG GLU 51 1HG GLU 51 -26.928 15.626 -1.106 440 HA PRO 52 HA PRO 52 -20.176 15.575 -2.662 441 1HB PRO 52 2HB PRO 52 -19.567 14.115 -4.962 442 2HB PRO 52 1HB PRO 52 -19.465 13.519 -3.305 443 1HG PRO 52 2HG PRO 52 -21.643 13.168 -5.315 444 2HG PRO 52 1HG PRO 52 -21.014 12.013 -4.126 445 1HD PRO 52 2HD PRO 52 -23.332 13.269 -3.719 446 2HD PRO 52 1HD PRO 52 -22.206 12.983 -2.375 447 H SER 53 H SER 53 -22.305 15.696 -5.463 448 HA SER 53 HA SER 53 -20.744 17.137 -7.231 449 1HB SER 53 2HB SER 53 -23.269 16.191 -7.303 450 2HB SER 53 1HB SER 53 -23.599 17.911 -7.102 451 HG SER 53 HG SER 53 -23.407 17.226 -9.316 452 H GLU 54 H GLU 54 -22.895 18.370 -4.703 453 HA GLU 54 HA GLU 54 -22.333 21.109 -5.246 454 1HB GLU 54 2HB GLU 54 -23.813 19.592 -3.173 455 2HB GLU 54 1HB GLU 54 -23.264 21.202 -2.728 456 1HG GLU 54 2HG GLU 54 -24.353 21.804 -5.069 457 2HG GLU 54 1HG GLU 54 -25.305 20.366 -4.702 458 H LEU 55 H LEU 55 -21.271 18.896 -2.670 459 HA LEU 55 HA LEU 55 -19.527 20.778 -1.454 460 1HB LEU 55 2HB LEU 55 -19.355 17.785 -1.218 461 2HB LEU 55 1HB LEU 55 -18.800 18.985 -0.066 462 HG LEU 55 HG LEU 55 -21.708 18.887 -0.730 463 1HD1 LEU 55 1HD1 LEU 55 -22.055 17.217 1.036 464 2HD1 LEU 55 2HD1 LEU 55 -20.311 16.986 1.145 465 3HD1 LEU 55 3HD1 LEU 55 -21.165 16.559 -0.337 466 1HD2 LEU 55 1HD2 LEU 55 -20.262 20.479 0.883 467 2HD2 LEU 55 2HD2 LEU 55 -20.679 19.194 2.016 468 3HD2 LEU 55 3HD2 LEU 55 -21.953 20.074 1.174 469 H GLN 56 H GLN 56 -19.224 19.046 -4.320 470 HA GLN 56 HA GLN 56 -16.532 18.300 -4.312 471 1HB GLN 56 2HB GLN 56 -18.065 17.533 -6.033 472 2HB GLN 56 1HB GLN 56 -18.288 19.179 -6.609 473 1HG GLN 56 2HG GLN 56 -15.783 19.166 -7.083 474 2HG GLN 56 1HG GLN 56 -15.873 17.421 -6.851 475 1HE2 GLN 56 1HE2 GLN 56 -17.761 16.407 -8.115 476 2HE2 GLN 56 2HE2 GLN 56 -17.903 16.905 -9.763 477 H GLY 57 H GLY 57 -18.057 21.377 -5.114 478 1HA GLY 57 2HA GLY 57 -15.347 22.547 -5.255 479 2HA GLY 57 1HA GLY 57 -16.689 23.119 -6.238 480 H LEU 58 H LEU 58 -18.329 22.577 -3.602 481 HA LEU 58 HA LEU 58 -18.491 25.256 -2.802 482 1HB LEU 58 2HB LEU 58 -19.704 22.744 -2.053 483 2HB LEU 58 1HB LEU 58 -19.378 23.717 -0.633 484 HG LEU 58 HG LEU 58 -20.511 25.562 -2.281 485 1HD1 LEU 58 1HD1 LEU 58 -20.996 23.794 -3.950 486 2HD1 LEU 58 2HD1 LEU 58 -22.439 24.604 -3.341 487 3HD1 LEU 58 3HD1 LEU 58 -22.017 22.996 -2.753 488 1HD2 LEU 58 1HD2 LEU 58 -21.690 23.744 -0.204 489 2HD2 LEU 58 2HD2 LEU 58 -22.629 25.034 -0.954 490 3HD2 LEU 58 3HD2 LEU 58 -21.173 25.423 -0.039 491 H GLY 59 H GLY 59 -16.443 22.645 -1.738 492 1HA GLY 59 2HA GLY 59 -14.476 24.169 -0.613 493 2HA GLY 59 1HA GLY 59 -15.626 23.945 0.697 494 H ALA 60 H ALA 60 -12.876 23.019 0.488 495 HA ALA 60 HA ALA 60 -12.929 20.189 0.027 496 1HB ALA 60 1HB ALA 60 -10.915 22.171 0.928 497 2HB ALA 60 2HB ALA 60 -10.812 20.945 -0.335 498 3HB ALA 60 3HB ALA 60 -10.648 20.482 1.359 499 H LEU 61 H LEU 61 -12.484 22.172 2.959 500 HA LEU 61 HA LEU 61 -12.604 20.046 4.781 501 1HB LEU 61 2HB LEU 61 -13.136 22.992 5.042 502 2HB LEU 61 1HB LEU 61 -13.312 21.910 6.409 503 HG LEU 61 HG LEU 61 -11.128 23.081 6.350 504 1HD1 LEU 61 1HD1 LEU 61 -11.107 20.082 6.090 505 2HD1 LEU 61 2HD1 LEU 61 -11.256 21.034 7.568 506 3HD1 LEU 61 3HD1 LEU 61 -9.739 21.034 6.668 507 1HD2 LEU 61 1HD2 LEU 61 -10.543 21.367 3.943 508 2HD2 LEU 61 2HD2 LEU 61 -9.484 22.559 4.700 509 3HD2 LEU 61 3HD2 LEU 61 -10.943 23.082 3.858 510 H GLU 62 H GLU 62 -15.122 22.059 3.369 511 HA GLU 62 HA GLU 62 -17.246 21.202 5.014 512 1HB GLU 62 2HB GLU 62 -17.073 23.158 3.261 513 2HB GLU 62 1HB GLU 62 -17.703 21.947 2.154 514 1HG GLU 62 2HG GLU 62 -19.504 21.604 4.008 515 2HG GLU 62 1HG GLU 62 -19.001 23.216 4.514 516 H ALA 63 H ALA 63 -16.070 20.036 1.873 517 HA ALA 63 HA ALA 63 -18.047 18.068 1.493 518 1HB ALA 63 1HB ALA 63 -17.002 18.262 -0.478 519 2HB ALA 63 2HB ALA 63 -15.872 17.073 0.170 520 3HB ALA 63 3HB ALA 63 -15.494 18.793 0.265 521 H THR 64 H THR 64 -14.833 17.923 2.979 522 HA THR 64 HA THR 64 -14.864 15.138 3.479 523 HB THR 64 HB THR 64 -13.339 17.033 5.221 524 HG1 THR 64 1HG THR 64 -12.807 17.995 3.395 525 1HG2 THR 64 1HG2 THR 64 -12.182 15.217 5.698 526 2HG2 THR 64 2HG2 THR 64 -11.719 15.072 4.002 527 3HG2 THR 64 3HG2 THR 64 -13.177 14.271 4.593 528 H ALA 65 H ALA 65 -15.676 17.941 5.500 529 HA ALA 65 HA ALA 65 -16.233 16.494 7.851 530 1HB ALA 65 1HB ALA 65 -16.003 18.687 8.366 531 2HB ALA 65 2HB ALA 65 -17.757 18.659 8.200 532 3HB ALA 65 3HB ALA 65 -16.756 19.233 6.868 533 H TRP 66 H TRP 66 -18.341 17.576 5.206 534 HA TRP 66 HA TRP 66 -20.750 16.658 6.373 535 1HB TRP 66 2HB TRP 66 -20.126 18.169 4.177 536 2HB TRP 66 1HB TRP 66 -20.657 16.664 3.433 537 HD1 TRP 66 HD TRP 66 -21.963 19.345 5.897 538 HE1 TRP 66 1HE TRP 66 -24.530 19.413 5.713 539 HE3 TRP 66 3HE TRP 66 -22.648 15.449 2.659 540 HZ2 TRP 66 2HZ TRP 66 -26.574 18.000 4.373 541 HZ3 TRP 66 3HZ TRP 66 -24.942 14.871 1.977 542 HH2 TRP 66 HH TRP 66 -26.862 16.122 2.816 543 H ALA 67 H ALA 67 -18.630 15.239 3.894 544 HA ALA 67 HA ALA 67 -20.099 12.876 3.525 545 1HB ALA 67 1HB ALA 67 -17.331 13.754 2.908 546 2HB ALA 67 2HB ALA 67 -18.601 13.174 1.832 547 3HB ALA 67 3HB ALA 67 -17.694 12.031 2.822 548 H LEU 68 H LEU 68 -17.470 13.675 5.750 549 HA LEU 68 HA LEU 68 -17.063 11.077 6.755 550 1HB LEU 68 2HB LEU 68 -15.543 13.063 7.028 551 2HB LEU 68 1HB LEU 68 -16.650 13.660 8.250 552 HG LEU 68 HG LEU 68 -15.981 10.976 8.926 553 1HD1 LEU 68 1HD1 LEU 68 -13.453 12.481 8.988 554 2HD1 LEU 68 2HD1 LEU 68 -13.949 11.886 7.404 555 3HD1 LEU 68 3HD1 LEU 68 -13.749 10.760 8.745 556 1HD2 LEU 68 1HD2 LEU 68 -14.960 12.146 10.907 557 2HD2 LEU 68 2HD2 LEU 68 -16.646 12.545 10.575 558 3HD2 LEU 68 3HD2 LEU 68 -15.366 13.670 10.118 559 H LYS 69 H LYS 69 -19.111 13.742 7.908 560 HA LYS 69 HA LYS 69 -20.066 12.390 10.202 561 1HB LYS 69 2HB LYS 69 -20.178 14.831 9.942 562 2HB LYS 69 1HB LYS 69 -21.339 14.640 8.637 563 1HG LYS 69 2HG LYS 69 -22.961 13.706 10.156 564 2HG LYS 69 1HG LYS 69 -21.789 13.743 11.475 565 1HD LYS 69 2HD LYS 69 -22.749 15.719 11.962 566 2HD LYS 69 1HD LYS 69 -21.732 16.330 10.654 567 1HE LYS 69 2HE LYS 69 -24.531 15.294 10.245 568 2HE LYS 69 1HE LYS 69 -24.155 16.991 10.538 569 1HZ LYS 69 1HZ LYS 69 -23.741 15.388 8.155 570 2HZ LYS 69 2HZ LYS 69 -22.489 16.458 8.539 571 3HZ LYS 69 3HZ LYS 69 -24.059 17.044 8.307 572 H VAL 70 H VAL 70 -21.483 12.854 6.969 573 HA VAL 70 HA VAL 70 -23.829 11.351 7.515 574 HB VAL 70 HB VAL 70 -22.594 11.857 4.805 575 1HG1 VAL 70 1HG1 VAL 70 -24.287 10.461 4.266 576 2HG1 VAL 70 2HG1 VAL 70 -25.254 11.928 4.423 577 3HG1 VAL 70 3HG1 VAL 70 -25.171 10.781 5.760 578 1HG2 VAL 70 1HG2 VAL 70 -23.263 13.997 4.840 579 2HG2 VAL 70 2HG2 VAL 70 -23.289 13.808 6.593 580 3HG2 VAL 70 3HG2 VAL 70 -24.775 13.608 5.662 581 H ALA 71 H ALA 71 -20.688 10.527 6.126 582 HA ALA 71 HA ALA 71 -21.266 7.974 5.178 583 1HB ALA 71 1HB ALA 71 -18.849 7.508 5.493 584 2HB ALA 71 2HB ALA 71 -18.705 9.031 6.370 585 3HB ALA 71 3HB ALA 71 -19.165 9.034 4.668 586 H GLU 72 H GLU 72 -20.208 9.008 8.398 587 HA GLU 72 HA GLU 72 -20.213 6.392 9.511 588 1HB GLU 72 2HB GLU 72 -20.017 7.529 11.678 589 2HB GLU 72 1HB GLU 72 -18.885 8.182 10.504 590 1HG GLU 72 2HG GLU 72 -20.167 10.144 10.216 591 2HG GLU 72 1HG GLU 72 -21.540 9.457 11.084 592 H ASN 73 H ASN 73 -22.576 8.991 9.305 593 HA ASN 73 HA ASN 73 -24.467 7.820 11.065 594 1HB ASN 73 2HB ASN 73 -24.312 10.157 9.343 595 2HB ASN 73 1HB ASN 73 -25.916 9.431 9.327 596 1HD2 ASN 73 1HD2 ASN 73 -27.238 9.789 10.989 597 2HD2 ASN 73 2HD2 ASN 73 -26.801 10.602 12.449 598 H GLU 74 H GLU 74 -24.044 7.736 7.558 599 HA GLU 74 HA GLU 74 -26.413 6.154 7.150 600 1HB GLU 74 2HB GLU 74 -24.523 7.604 5.507 601 2HB GLU 74 1HB GLU 74 -24.853 6.014 4.833 602 1HG GLU 74 2HG GLU 74 -26.339 7.772 3.962 603 2HG GLU 74 1HG GLU 74 -27.206 6.465 4.767 604 H LEU 75 H LEU 75 -22.913 5.544 7.106 605 HA LEU 75 HA LEU 75 -23.421 2.708 6.620 606 1HB LEU 75 2HB LEU 75 -20.726 4.007 6.881 607 2HB LEU 75 1HB LEU 75 -21.131 2.495 6.091 608 HG LEU 75 HG LEU 75 -22.136 5.146 5.081 609 1HD1 LEU 75 1HD1 LEU 75 -20.241 4.678 3.336 610 2HD1 LEU 75 2HD1 LEU 75 -19.500 3.815 4.682 611 3HD1 LEU 75 3HD1 LEU 75 -19.886 5.529 4.840 612 1HD2 LEU 75 1HD2 LEU 75 -23.008 2.710 4.455 613 2HD2 LEU 75 2HD2 LEU 75 -21.630 2.792 3.356 614 3HD2 LEU 75 3HD2 LEU 75 -22.901 4.010 3.271 615 H GLY 76 H GLY 76 -22.002 4.815 9.089 616 1HA GLY 76 2HA GLY 76 -22.067 4.306 11.408 617 2HA GLY 76 1HA GLY 76 -22.293 2.613 11.001 618 H ILE 77 H ILE 77 -19.833 4.469 9.406 619 HA ILE 77 HA ILE 77 -17.795 2.770 10.618 620 HB ILE 77 HB ILE 77 -17.409 4.801 8.423 621 1HG1 ILE 77 2HG1 ILE 77 -19.145 3.144 7.801 622 2HG1 ILE 77 1HG1 ILE 77 -17.688 2.989 6.824 623 1HG2 ILE 77 1HG2 ILE 77 -15.793 2.460 9.403 624 2HG2 ILE 77 2HG2 ILE 77 -15.338 4.164 9.391 625 3HG2 ILE 77 3HG2 ILE 77 -15.488 3.281 7.872 626 1HD1 ILE 77 1HD1 ILE 77 -18.535 1.233 9.112 627 2HD1 ILE 77 2HD1 ILE 77 -16.979 1.120 8.290 628 3HD1 ILE 77 3HD1 ILE 77 -18.469 0.809 7.402 629 H THR 78 H THR 78 -16.498 3.436 12.194 630 HA THR 78 HA THR 78 -16.695 6.085 13.244 631 HB THR 78 HB THR 78 -14.741 3.891 13.959 632 HG1 THR 78 1HG THR 78 -16.364 2.972 14.878 633 1HG2 THR 78 1HG2 THR 78 -13.868 5.689 15.069 634 2HG2 THR 78 2HG2 THR 78 -15.032 5.094 16.252 635 3HG2 THR 78 3HG2 THR 78 -15.434 6.483 15.242 636 HA PRO 79 HA PRO 79 -13.675 8.075 10.640 637 1HB PRO 79 2HB PRO 79 -13.282 9.750 13.072 638 2HB PRO 79 1HB PRO 79 -13.601 10.242 11.405 639 1HG PRO 79 2HG PRO 79 -15.523 10.354 13.239 640 2HG PRO 79 1HG PRO 79 -15.878 9.837 11.581 641 1HD PRO 79 2HD PRO 79 -15.610 8.198 14.062 642 2HD PRO 79 1HD PRO 79 -16.708 7.989 12.684 643 H VAL 80 H VAL 80 -11.495 7.961 10.357 644 HA VAL 80 HA VAL 80 -9.933 6.809 12.575 645 HB VAL 80 HB VAL 80 -9.348 6.546 9.625 646 1HG1 VAL 80 1HG1 VAL 80 -8.189 5.141 12.030 647 2HG1 VAL 80 2HG1 VAL 80 -7.380 6.363 11.047 648 3HG1 VAL 80 3HG1 VAL 80 -7.791 4.798 10.347 649 1HG2 VAL 80 1HG2 VAL 80 -10.174 4.166 11.138 650 2HG2 VAL 80 2HG2 VAL 80 -10.583 4.669 9.497 651 3HG2 VAL 80 3HG2 VAL 80 -11.445 5.359 10.872 652 H VAL 81 H VAL 81 -10.176 9.414 10.322 653 HA VAL 81 HA VAL 81 -7.829 10.658 11.529 654 HB VAL 81 HB VAL 81 -7.018 11.436 9.306 655 1HG1 VAL 81 1HG1 VAL 81 -6.046 9.202 8.634 656 2HG1 VAL 81 2HG1 VAL 81 -7.037 8.489 9.906 657 3HG1 VAL 81 3HG1 VAL 81 -5.800 9.678 10.313 658 1HG2 VAL 81 1HG2 VAL 81 -7.962 10.852 7.340 659 2HG2 VAL 81 2HG2 VAL 81 -9.400 10.626 8.336 660 3HG2 VAL 81 3HG2 VAL 81 -8.398 9.241 7.906 661 H SER 82 H SER 82 -7.789 12.952 11.329 662 HA SER 82 HA SER 82 -10.402 14.124 11.296 663 1HB SER 82 2HB SER 82 -9.233 16.215 11.860 664 2HB SER 82 1HB SER 82 -8.689 14.886 12.883 665 HG SER 82 HG SER 82 -7.256 16.432 11.224 666 H ALA 83 H ALA 83 -11.187 15.730 9.907 667 HA ALA 83 HA ALA 83 -10.710 15.363 7.182 668 1HB ALA 83 1HB ALA 83 -12.241 17.291 8.814 669 2HB ALA 83 2HB ALA 83 -12.756 16.289 7.458 670 3HB ALA 83 3HB ALA 83 -11.861 17.780 7.164 671 H GLN 84 H GLN 84 -9.529 17.873 9.390 672 HA GLN 84 HA GLN 84 -8.261 19.526 7.559 673 1HB GLN 84 2HB GLN 84 -8.284 19.176 10.402 674 2HB GLN 84 1HB GLN 84 -6.626 19.424 9.874 675 1HG GLN 84 2HG GLN 84 -6.969 21.581 9.465 676 2HG GLN 84 1HG GLN 84 -8.482 21.269 8.616 677 1HE2 GLN 84 1HE2 GLN 84 -7.006 22.211 11.564 678 2HE2 GLN 84 2HE2 GLN 84 -8.456 22.531 12.449 679 H ALA 85 H ALA 85 -7.098 16.565 9.090 680 HA ALA 85 HA ALA 85 -4.446 16.724 8.093 681 1HB ALA 85 1HB ALA 85 -5.612 14.058 8.625 682 2HB ALA 85 2HB ALA 85 -5.602 15.206 9.963 683 3HB ALA 85 3HB ALA 85 -4.090 14.762 9.170 684 H VAL 86 H VAL 86 -7.357 15.040 6.958 685 HA VAL 86 HA VAL 86 -6.186 13.715 4.782 686 HB VAL 86 HB VAL 86 -9.029 14.721 4.897 687 1HG1 VAL 86 1HG1 VAL 86 -8.693 13.883 2.761 688 2HG1 VAL 86 2HG1 VAL 86 -9.327 12.485 3.632 689 3HG1 VAL 86 3HG1 VAL 86 -7.596 12.620 3.319 690 1HG2 VAL 86 1HG2 VAL 86 -9.212 12.166 5.723 691 2HG2 VAL 86 2HG2 VAL 86 -9.097 13.540 6.823 692 3HG2 VAL 86 3HG2 VAL 86 -7.656 12.604 6.427 693 H VAL 87 H VAL 87 -7.835 16.862 4.955 694 HA VAL 87 HA VAL 87 -7.655 17.502 2.231 695 HB VAL 87 HB VAL 87 -7.623 19.459 4.533 696 1HG1 VAL 87 1HG1 VAL 87 -7.121 20.258 2.167 697 2HG1 VAL 87 2HG1 VAL 87 -8.427 21.071 3.026 698 3HG1 VAL 87 3HG1 VAL 87 -8.799 19.861 1.798 699 1HG2 VAL 87 1HG2 VAL 87 -9.525 17.548 4.144 700 2HG2 VAL 87 2HG2 VAL 87 -10.176 18.892 3.206 701 3HG2 VAL 87 3HG2 VAL 87 -9.808 19.107 4.918 702 H ALA 88 H ALA 88 -5.371 17.877 4.869 703 HA ALA 88 HA ALA 88 -3.531 19.432 3.258 704 1HB ALA 88 1HB ALA 88 -2.062 19.238 5.289 705 2HB ALA 88 2HB ALA 88 -3.379 18.357 6.064 706 3HB ALA 88 3HB ALA 88 -3.617 20.028 5.552 707 H GLY 89 H GLY 89 -4.198 16.133 3.736 708 1HA GLY 89 2HA GLY 89 -3.120 14.217 3.083 709 2HA GLY 89 1HA GLY 89 -2.252 15.242 1.949 710 H SER 90 H SER 90 -2.146 15.506 5.460 711 HA SER 90 HA SER 90 0.734 14.935 5.333 712 1HB SER 90 2HB SER 90 -0.948 16.713 7.030 713 2HB SER 90 1HB SER 90 0.490 16.005 7.767 714 HG SER 90 HG SER 90 1.696 16.887 6.012 715 H ASP 91 H ASP 91 -1.160 12.803 5.344 716 HA ASP 91 HA ASP 91 -0.130 11.297 7.554 717 1HB ASP 91 2HB ASP 91 -2.891 12.374 7.630 718 2HB ASP 91 1HB ASP 91 -2.705 10.681 8.075 719 HA PRO 92 HA PRO 92 -1.141 9.157 3.439 720 1HB PRO 92 2HB PRO 92 1.518 8.028 4.172 721 2HB PRO 92 1HB PRO 92 0.904 8.526 2.592 722 1HG PRO 92 2HG PRO 92 2.650 10.044 3.907 723 2HG PRO 92 1HG PRO 92 1.316 10.773 2.992 724 1HD PRO 92 2HD PRO 92 1.623 10.416 5.940 725 2HD PRO 92 1HD PRO 92 0.878 11.748 5.035 726 H LEU 93 H LEU 93 0.398 7.933 6.406 727 HA LEU 93 HA LEU 93 -0.324 5.250 6.138 728 1HB LEU 93 2HB LEU 93 0.997 6.801 8.024 729 2HB LEU 93 1HB LEU 93 -0.391 6.177 8.896 730 HG LEU 93 HG LEU 93 1.540 4.730 9.197 731 1HD1 LEU 93 1HD1 LEU 93 -0.958 3.917 8.708 732 2HD1 LEU 93 2HD1 LEU 93 0.361 2.803 9.072 733 3HD1 LEU 93 3HD1 LEU 93 -0.125 3.079 7.398 734 1HD2 LEU 93 1HD2 LEU 93 1.651 4.942 6.249 735 2HD2 LEU 93 2HD2 LEU 93 2.045 3.370 6.949 736 3HD2 LEU 93 3HD2 LEU 93 2.955 4.802 7.430 737 H GLY 94 H GLY 94 -2.068 7.961 7.604 738 1HA GLY 94 2HA GLY 94 -4.224 6.461 8.637 739 2HA GLY 94 1HA GLY 94 -4.255 8.179 8.268 740 H LEU 95 H LEU 95 -3.670 7.924 5.479 741 HA LEU 95 HA LEU 95 -6.265 7.633 4.454 742 1HB LEU 95 2HB LEU 95 -3.555 8.028 3.322 743 2HB LEU 95 1HB LEU 95 -4.770 7.395 2.228 744 HG LEU 95 HG LEU 95 -4.655 9.797 2.011 745 1HD1 LEU 95 1HD1 LEU 95 -6.901 10.182 1.972 746 2HD1 LEU 95 2HD1 LEU 95 -7.165 9.474 3.566 747 3HD1 LEU 95 3HD1 LEU 95 -6.911 8.429 2.168 748 1HD2 LEU 95 1HD2 LEU 95 -5.582 11.033 4.178 749 2HD2 LEU 95 2HD2 LEU 95 -3.860 10.770 3.902 750 3HD2 LEU 95 3HD2 LEU 95 -4.758 9.690 4.969 751 H ILE 96 H ILE 96 -3.481 5.443 4.426 752 HA ILE 96 HA ILE 96 -4.639 3.440 2.816 753 HB ILE 96 HB ILE 96 -2.574 3.028 4.980 754 1HG1 ILE 96 2HG1 ILE 96 -1.836 4.818 3.513 755 2HG1 ILE 96 1HG1 ILE 96 -0.909 3.362 3.170 756 1HG2 ILE 96 1HG2 ILE 96 -3.756 1.047 3.848 757 2HG2 ILE 96 2HG2 ILE 96 -1.993 1.043 3.902 758 3HG2 ILE 96 3HG2 ILE 96 -2.827 1.495 2.416 759 1HD1 ILE 96 1HD1 ILE 96 -1.499 4.462 1.117 760 2HD1 ILE 96 2HD1 ILE 96 -3.205 4.448 1.561 761 3HD1 ILE 96 3HD1 ILE 96 -2.366 2.932 1.233 762 H ALA 97 H ALA 97 -4.586 3.930 6.322 763 HA ALA 97 HA ALA 97 -5.855 1.500 7.007 764 1HB ALA 97 1HB ALA 97 -6.313 3.825 8.765 765 2HB ALA 97 2HB ALA 97 -4.627 3.424 8.431 766 3HB ALA 97 3HB ALA 97 -5.698 2.217 9.143 767 H TYR 98 H TYR 98 -7.080 4.702 6.197 768 HA TYR 98 HA TYR 98 -9.764 4.275 6.937 769 1HB TYR 98 2HB TYR 98 -8.501 6.466 6.260 770 2HB TYR 98 1HB TYR 98 -9.018 6.044 4.632 771 HD1 TYR 98 1HD TYR 98 -11.408 6.018 4.055 772 HD2 TYR 98 2HD TYR 98 -10.073 7.250 7.902 773 HE1 TYR 98 1HE TYR 98 -13.602 7.047 4.481 774 HE2 TYR 98 2HE TYR 98 -12.263 8.281 8.338 775 HH TYR 98 HH TYR 98 -14.986 7.706 6.392 776 H LEU 99 H LEU 99 -8.111 3.926 3.810 777 HA LEU 99 HA LEU 99 -10.324 3.152 2.295 778 1HB LEU 99 2HB LEU 99 -7.402 3.004 2.037 779 2HB LEU 99 1HB LEU 99 -8.264 1.768 1.141 780 HG LEU 99 HG LEU 99 -9.266 4.531 0.820 781 1HD1 LEU 99 1HD1 LEU 99 -7.399 4.651 -1.060 782 2HD1 LEU 99 2HD1 LEU 99 -6.502 3.710 0.132 783 3HD1 LEU 99 3HD1 LEU 99 -7.142 5.296 0.561 784 1HD2 LEU 99 1HD2 LEU 99 -10.040 3.740 -1.147 785 2HD2 LEU 99 2HD2 LEU 99 -9.823 2.179 -0.356 786 3HD2 LEU 99 3HD2 LEU 99 -8.588 2.789 -1.460 787 H SER 100 H SER 100 -8.132 1.248 4.300 788 HA SER 100 HA SER 100 -9.003 -1.305 3.536 789 1HB SER 100 2HB SER 100 -7.656 -0.197 5.974 790 2HB SER 100 1HB SER 100 -8.224 -1.866 5.978 791 HG SER 100 HG SER 100 -6.791 -2.382 4.452 792 H HIS 101 H HIS 101 -10.201 0.930 5.995 793 HA HIS 101 HA HIS 101 -12.091 -0.855 7.130 794 1HB HIS 101 2HB HIS 101 -11.123 1.490 7.943 795 2HB HIS 101 1HB HIS 101 -12.590 2.083 7.172 796 HD1 HIS 101 1HD HIS 101 -14.132 -0.674 8.117 797 HD2 HIS 101 2HD HIS 101 -12.228 2.181 10.460 798 HE1 HIS 101 1HE HIS 101 -15.164 -0.883 10.400 799 HE2 HIS 101 2HE HIS 101 -14.057 0.912 11.779 800 H PHE 102 H PHE 102 -12.348 1.684 4.666 801 HA PHE 102 HA PHE 102 -15.131 1.398 4.248 802 1HB PHE 102 2HB PHE 102 -12.901 2.828 2.970 803 2HB PHE 102 1HB PHE 102 -14.196 2.377 1.866 804 HD1 PHE 102 1HD PHE 102 -15.757 4.001 1.498 805 HD2 PHE 102 2HD PHE 102 -13.923 3.750 5.330 806 HE1 PHE 102 1HE PHE 102 -17.077 5.937 2.253 807 HE2 PHE 102 2HE PHE 102 -15.241 5.684 6.092 808 HZ PHE 102 HZ PHE 102 -16.820 6.780 4.552 809 H HIS 103 H HIS 103 -12.303 -0.095 2.774 810 HA HIS 103 HA HIS 103 -13.565 -1.357 0.618 811 1HB HIS 103 2HB HIS 103 -11.022 -1.145 1.295 812 2HB HIS 103 1HB HIS 103 -11.311 -2.712 2.042 813 HD1 HIS 103 1HD HIS 103 -10.000 -1.432 -0.924 814 HD2 HIS 103 2HD HIS 103 -12.761 -4.429 -0.109 815 HE1 HIS 103 1HE HIS 103 -10.033 -2.891 -2.972 816 HE2 HIS 103 2HE HIS 103 -11.775 -4.647 -2.490 817 H SER 104 H SER 104 -13.085 -2.410 3.961 818 HA SER 104 HA SER 104 -14.016 -5.031 3.709 819 1HB SER 104 2HB SER 104 -13.706 -3.097 5.943 820 2HB SER 104 1HB SER 104 -14.774 -4.471 6.227 821 HG SER 104 HG SER 104 -13.096 -5.731 6.323 822 H ALA 105 H ALA 105 -15.779 -2.032 4.383 823 HA ALA 105 HA ALA 105 -18.316 -3.320 4.643 824 1HB ALA 105 1HB ALA 105 -18.143 -1.279 5.771 825 2HB ALA 105 2HB ALA 105 -19.158 -0.915 4.376 826 3HB ALA 105 3HB ALA 105 -17.454 -0.459 4.371 827 H PHE 106 H PHE 106 -16.632 -1.629 2.037 828 HA PHE 106 HA PHE 106 -18.776 -1.619 0.202 829 1HB PHE 106 2HB PHE 106 -15.798 -1.336 -0.051 830 2HB PHE 106 1HB PHE 106 -16.804 -1.441 -1.492 831 HD1 PHE 106 1HD PHE 106 -17.469 0.266 1.748 832 HD2 PHE 106 2HD PHE 106 -16.746 0.669 -2.423 833 HE1 PHE 106 1HE PHE 106 -17.940 2.676 1.904 834 HE2 PHE 106 2HE PHE 106 -17.214 3.081 -2.277 835 HZ PHE 106 HZ PHE 106 -17.814 4.087 -0.110 836 H LYS 107 H LYS 107 -16.368 -4.008 1.040 837 HA LYS 107 HA LYS 107 -16.697 -5.679 -1.222 838 1HB LYS 107 2HB LYS 107 -15.112 -5.662 1.108 839 2HB LYS 107 1HB LYS 107 -15.992 -7.184 1.131 840 1HG LYS 107 2HG LYS 107 -14.408 -6.210 -1.234 841 2HG LYS 107 1HG LYS 107 -13.760 -7.268 0.022 842 1HD LYS 107 2HD LYS 107 -16.082 -8.542 -0.655 843 2HD LYS 107 1HD LYS 107 -15.568 -7.869 -2.204 844 1HE LYS 107 2HE LYS 107 -13.225 -8.864 -1.272 845 2HE LYS 107 1HE LYS 107 -14.373 -10.006 -0.572 846 1HZ LYS 107 1HZ LYS 107 -14.039 -9.337 -3.444 847 2HZ LYS 107 2HZ LYS 107 -15.307 -10.280 -2.842 848 3HZ LYS 107 3HZ LYS 107 -13.710 -10.817 -2.693 849 H SER 108 H SER 108 -18.313 -5.491 1.900 850 HA SER 108 HA SER 108 -20.024 -7.756 1.179 851 1HB SER 108 2HB SER 108 -19.240 -6.449 3.726 852 2HB SER 108 1HB SER 108 -20.880 -7.097 3.646 853 HG SER 108 HG SER 108 -18.508 -8.407 3.850 854 H MET 109 H MET 109 -20.248 -5.194 -0.169 855 HA MET 109 HA MET 109 -23.039 -4.916 -0.185 856 1HB MET 109 2HB MET 109 -21.631 -3.285 1.775 857 2HB MET 109 1HB MET 109 -22.548 -2.305 0.638 858 1HG MET 109 2HG MET 109 -24.531 -2.984 1.443 859 2HG MET 109 1HG MET 109 -23.970 -4.629 1.737 860 1HE MET 109 1HE MET 109 -25.630 -2.051 3.906 861 2HE MET 109 2HE MET 109 -24.535 -1.181 2.832 862 3HE MET 109 3HE MET 109 -24.269 -1.153 4.575 Start of MODEL 17 1 1H MET -8 1HT MET -8 -4.059 -17.170 11.117 2 2H MET -8 2HT MET -8 -5.043 -17.442 9.738 3 3H MET -8 3HT MET -8 -4.268 -15.927 9.955 4 HA MET -8 HA MET -8 -2.129 -17.173 9.905 5 1HB MET -8 2HB MET -8 -4.146 -19.270 9.305 6 2HB MET -8 1HB MET -8 -2.674 -19.300 8.343 7 1HG MET -8 2HG MET -8 -1.523 -20.204 10.001 8 2HG MET -8 1HG MET -8 -2.045 -18.952 11.125 9 1HE MET -8 1HE MET -8 -4.678 -19.002 11.980 10 2HE MET -8 2HE MET -8 -3.485 -19.491 13.186 11 3HE MET -8 3HE MET -8 -4.977 -20.412 12.996 12 H GLY -7 H GLY -7 -1.912 -15.287 8.643 13 1HA GLY -7 2HA GLY -7 -1.466 -15.567 5.962 14 2HA GLY -7 1HA GLY -7 -3.151 -15.076 6.059 15 H HIS -6 H HIS -6 -0.031 -14.140 7.516 16 HA HIS -6 HA HIS -6 -0.879 -11.358 7.533 17 1HB HIS -6 2HB HIS -6 1.204 -12.953 8.877 18 2HB HIS -6 1HB HIS -6 1.691 -11.317 8.444 19 HD1 HIS -6 1HD HIS -6 -1.871 -11.655 9.275 20 HD2 HIS -6 2HD HIS -6 1.672 -10.839 11.288 21 HE1 HIS -6 1HE HIS -6 -2.564 -10.694 11.494 22 HE2 HIS -6 2HE HIS -6 -0.403 -10.131 12.660 23 H HIS -5 H HIS -5 1.292 -9.896 7.089 24 HA HIS -5 HA HIS -5 2.476 -10.714 4.545 25 1HB HIS -5 2HB HIS -5 0.998 -8.098 4.916 26 2HB HIS -5 1HB HIS -5 1.906 -8.571 3.483 27 HD1 HIS -5 1HD HIS -5 -1.401 -8.212 4.358 28 HD2 HIS -5 2HD HIS -5 0.710 -11.396 2.727 29 HE1 HIS -5 1HE HIS -5 -3.127 -9.657 3.236 30 HE2 HIS -5 2HE HIS -5 -1.837 -11.623 2.331 31 H HIS -4 H HIS -4 4.588 -10.520 4.836 32 HA HIS -4 HA HIS -4 5.768 -8.955 6.872 33 1HB HIS -4 2HB HIS -4 7.910 -9.580 5.827 34 2HB HIS -4 1HB HIS -4 6.846 -10.970 6.014 35 HD1 HIS -4 1HD HIS -4 5.703 -11.865 3.797 36 HD2 HIS -4 2HD HIS -4 8.683 -9.024 3.247 37 HE1 HIS -4 1HE HIS -4 6.319 -12.002 1.364 38 HE2 HIS -4 2HE HIS -4 8.187 -10.336 1.073 39 H HIS -3 H HIS -3 6.730 -6.978 6.849 40 HA HIS -3 HA HIS -3 6.423 -5.405 4.377 41 1HB HIS -3 2HB HIS -3 6.383 -3.415 5.931 42 2HB HIS -3 1HB HIS -3 4.998 -4.494 6.064 43 HD1 HIS -3 1HD HIS -3 4.566 -5.548 8.312 44 HD2 HIS -3 2HD HIS -3 8.237 -3.609 8.121 45 HE1 HIS -3 1HE HIS -3 5.434 -5.517 10.672 46 HE2 HIS -3 2HE HIS -3 7.619 -4.269 10.543 47 H HIS -2 H HIS -2 8.663 -6.909 4.504 48 HA HIS -2 HA HIS -2 10.825 -5.299 5.598 49 1HB HIS -2 2HB HIS -2 10.506 -8.067 4.661 50 2HB HIS -2 1HB HIS -2 12.040 -7.330 4.214 51 HD1 HIS -2 1HD HIS -2 10.412 -9.062 6.929 52 HD2 HIS -2 2HD HIS -2 13.445 -6.243 6.588 53 HE1 HIS -2 1HE HIS -2 11.655 -9.145 9.112 54 HE2 HIS -2 2HE HIS -2 13.545 -7.499 8.846 55 H HIS -1 H HIS -1 9.821 -6.555 2.422 56 HA HIS -1 HA HIS -1 10.558 -4.168 1.077 57 1HB HIS -1 2HB HIS -1 12.419 -5.031 -0.258 58 2HB HIS -1 1HB HIS -1 12.822 -5.048 1.455 59 HD1 HIS -1 1HD HIS -1 10.715 -7.834 1.143 60 HD2 HIS -1 2HD HIS -1 14.629 -7.066 -0.025 61 HE1 HIS -1 1HE HIS -1 11.778 -10.090 0.829 62 HE2 HIS -1 2HE HIS -1 14.123 -9.600 0.050 63 H MET 0 H MET 0 8.311 -5.949 1.269 64 HA MET 0 HA MET 0 7.529 -6.051 -1.422 65 1HB MET 0 2HB MET 0 9.193 -8.121 -0.944 66 2HB MET 0 1HB MET 0 7.665 -8.852 -0.475 67 1HG MET 0 2HG MET 0 7.471 -7.429 -2.992 68 2HG MET 0 1HG MET 0 8.705 -8.688 -3.025 69 1HE MET 0 1HE MET 0 6.156 -9.131 -5.053 70 2HE MET 0 2HE MET 0 6.187 -10.865 -4.736 71 3HE MET 0 3HE MET 0 7.694 -9.950 -4.790 72 H GLY 1 H GLY 1 5.473 -5.499 -1.145 73 1HA GLY 1 2HA GLY 1 3.249 -6.415 -0.640 74 2HA GLY 1 1HA GLY 1 3.909 -6.960 0.893 75 H SER 2 H SER 2 5.050 -3.898 -0.030 76 HA SER 2 HA SER 2 3.009 -2.575 1.631 77 1HB SER 2 2HB SER 2 6.008 -2.251 1.674 78 2HB SER 2 1HB SER 2 4.926 -1.018 2.323 79 HG SER 2 HG SER 2 4.153 -2.510 3.799 80 H ALA 3 H ALA 3 5.451 -2.166 -0.902 81 HA ALA 3 HA ALA 3 4.330 0.387 -1.702 82 1HB ALA 3 1HB ALA 3 6.125 0.410 -3.369 83 2HB ALA 3 2HB ALA 3 6.580 -1.228 -2.899 84 3HB ALA 3 3HB ALA 3 6.746 0.098 -1.749 85 H GLY 4 H GLY 4 4.230 -2.958 -2.681 86 1HA GLY 4 2HA GLY 4 3.133 -2.452 -5.288 87 2HA GLY 4 1HA GLY 4 3.227 -4.010 -4.479 88 H THR 5 H THR 5 1.830 -2.893 -2.090 89 HA THR 5 HA THR 5 -0.806 -3.595 -2.849 90 HB THR 5 HB THR 5 -1.197 -2.430 -0.454 91 HG1 THR 5 1HG THR 5 0.902 -1.651 -0.264 92 1HG2 THR 5 1HG2 THR 5 -1.669 -4.591 -0.198 93 2HG2 THR 5 2HG2 THR 5 -0.015 -4.721 0.401 94 3HG2 THR 5 3HG2 THR 5 -0.375 -5.105 -1.281 95 H GLN 6 H GLN 6 0.873 -0.554 -2.494 96 HA GLN 6 HA GLN 6 -1.358 1.158 -2.416 97 1HB GLN 6 2HB GLN 6 1.416 1.443 -2.369 98 2HB GLN 6 1HB GLN 6 0.912 2.312 -3.812 99 1HG GLN 6 2HG GLN 6 -0.477 3.759 -2.571 100 2HG GLN 6 1HG GLN 6 -0.359 2.753 -1.128 101 1HE2 GLN 6 1HE2 GLN 6 2.210 2.315 -0.756 102 2HE2 GLN 6 2HE2 GLN 6 3.097 3.785 -0.566 103 H GLU 7 H GLU 7 0.336 -0.378 -5.072 104 HA GLU 7 HA GLU 7 -0.771 1.192 -7.154 105 1HB GLU 7 2HB GLU 7 1.151 -0.764 -6.989 106 2HB GLU 7 1HB GLU 7 -0.144 -1.586 -7.850 107 1HG GLU 7 2HG GLU 7 0.736 -0.675 -9.678 108 2HG GLU 7 1HG GLU 7 -0.037 0.817 -9.141 109 H GLU 8 H GLU 8 -1.707 -1.960 -5.795 110 HA GLU 8 HA GLU 8 -3.958 -2.257 -7.521 111 1HB GLU 8 2HB GLU 8 -4.516 -4.189 -6.198 112 2HB GLU 8 1HB GLU 8 -2.777 -4.166 -6.449 113 1HG GLU 8 2HG GLU 8 -2.494 -3.209 -4.198 114 2HG GLU 8 1HG GLU 8 -4.234 -3.336 -3.952 115 H LEU 9 H LEU 9 -3.431 -0.850 -4.370 116 HA LEU 9 HA LEU 9 -6.168 -0.672 -3.615 117 1HB LEU 9 2HB LEU 9 -3.998 -0.457 -2.185 118 2HB LEU 9 1HB LEU 9 -4.067 1.233 -2.648 119 HG LEU 9 HG LEU 9 -6.334 1.383 -1.650 120 1HD1 LEU 9 1HD1 LEU 9 -5.748 -1.447 -0.801 121 2HD1 LEU 9 2HD1 LEU 9 -7.061 -0.896 -1.842 122 3HD1 LEU 9 3HD1 LEU 9 -7.041 -0.449 -0.136 123 1HD2 LEU 9 1HD2 LEU 9 -4.192 0.372 0.218 124 2HD2 LEU 9 2HD2 LEU 9 -5.594 1.339 0.671 125 3HD2 LEU 9 3HD2 LEU 9 -4.350 2.027 -0.372 126 H LEU 10 H LEU 10 -3.889 1.636 -5.068 127 HA LEU 10 HA LEU 10 -5.675 3.807 -5.210 128 1HB LEU 10 2HB LEU 10 -3.055 3.564 -5.629 129 2HB LEU 10 1HB LEU 10 -3.582 3.483 -7.299 130 HG LEU 10 HG LEU 10 -2.951 5.759 -6.670 131 1HD1 LEU 10 1HD1 LEU 10 -5.095 5.036 -8.119 132 2HD1 LEU 10 2HD1 LEU 10 -4.588 6.710 -7.894 133 3HD1 LEU 10 3HD1 LEU 10 -5.876 6.036 -6.895 134 1HD2 LEU 10 1HD2 LEU 10 -3.700 6.859 -4.847 135 2HD2 LEU 10 2HD2 LEU 10 -3.959 5.226 -4.235 136 3HD2 LEU 10 3HD2 LEU 10 -5.303 6.130 -4.930 137 H ARG 11 H ARG 11 -5.036 1.123 -7.389 138 HA ARG 11 HA ARG 11 -6.476 2.113 -9.611 139 1HB ARG 11 2HB ARG 11 -5.724 -0.682 -8.763 140 2HB ARG 11 1HB ARG 11 -6.567 -0.340 -10.268 141 1HG ARG 11 2HG ARG 11 -4.288 1.366 -10.069 142 2HG ARG 11 1HG ARG 11 -3.797 -0.302 -9.772 143 1HD ARG 11 2HD ARG 11 -4.073 -0.865 -11.914 144 2HD ARG 11 1HD ARG 11 -5.649 -0.079 -11.997 145 HE ARG 11 HE ARG 11 -3.120 1.006 -12.832 146 1HH1 ARG 11 1HH1 ARG 11 -6.365 1.769 -11.799 147 2HH1 ARG 11 2HH1 ARG 11 -6.375 3.324 -12.561 148 1HH2 ARG 11 1HH2 ARG 11 -3.132 3.052 -13.833 149 2HH2 ARG 11 2HH2 ARG 11 -4.540 4.052 -13.716 150 H TRP 12 H TRP 12 -7.407 0.097 -6.862 151 HA TRP 12 HA TRP 12 -10.033 -0.458 -7.759 152 1HB TRP 12 2HB TRP 12 -8.872 -1.791 -6.031 153 2HB TRP 12 1HB TRP 12 -8.966 -0.420 -4.929 154 HD1 TRP 12 HD TRP 12 -11.007 -3.293 -6.299 155 HE1 TRP 12 1HE TRP 12 -13.275 -3.376 -5.088 156 HE3 TRP 12 3HE TRP 12 -10.755 1.158 -3.797 157 HZ2 TRP 12 2HZ TRP 12 -14.763 -1.768 -3.308 158 HZ3 TRP 12 3HZ TRP 12 -12.642 1.812 -2.361 159 HH2 TRP 12 HH TRP 12 -14.605 0.379 -2.122 160 H CYS 13 H CYS 13 -8.642 2.127 -5.814 161 HA CYS 13 HA CYS 13 -11.112 3.250 -4.979 162 1HB CYS 13 2HB CYS 13 -8.287 4.272 -5.097 163 2HB CYS 13 1HB CYS 13 -9.613 5.335 -4.636 164 HG CYS 13 HG CYS 13 -9.626 2.871 -2.917 165 H GLN 14 H GLN 14 -8.892 4.016 -7.643 166 HA GLN 14 HA GLN 14 -10.320 6.226 -8.634 167 1HB GLN 14 2HB GLN 14 -7.968 5.636 -9.228 168 2HB GLN 14 1HB GLN 14 -8.590 4.318 -10.212 169 1HG GLN 14 2HG GLN 14 -9.794 6.905 -10.819 170 2HG GLN 14 1HG GLN 14 -8.053 6.845 -11.090 171 1HE2 GLN 14 1HE2 GLN 14 -7.243 5.121 -12.459 172 2HE2 GLN 14 2HE2 GLN 14 -8.232 4.531 -13.747 173 H GLU 15 H GLU 15 -10.538 2.775 -9.326 174 HA GLU 15 HA GLU 15 -12.346 2.984 -11.491 175 1HB GLU 15 2HB GLU 15 -10.919 0.970 -10.756 176 2HB GLU 15 1HB GLU 15 -12.218 0.631 -9.621 177 1HG GLU 15 2HG GLU 15 -13.101 1.083 -12.375 178 2HG GLU 15 1HG GLU 15 -12.066 -0.327 -12.155 179 H GLN 16 H GLN 16 -12.828 2.434 -8.021 180 HA GLN 16 HA GLN 16 -15.656 2.225 -8.179 181 1HB GLN 16 2HB GLN 16 -13.656 2.539 -5.989 182 2HB GLN 16 1HB GLN 16 -15.340 2.889 -5.626 183 1HG GLN 16 2HG GLN 16 -14.462 0.312 -6.889 184 2HG GLN 16 1HG GLN 16 -14.532 0.547 -5.143 185 1HE2 GLN 16 1HE2 GLN 16 -16.055 -1.271 -5.338 186 2HE2 GLN 16 2HE2 GLN 16 -17.717 -0.916 -5.652 187 H THR 17 H THR 17 -13.438 4.903 -7.818 188 HA THR 17 HA THR 17 -15.577 6.771 -7.209 189 HB THR 17 HB THR 17 -12.689 7.430 -7.770 190 HG1 THR 17 1HG THR 17 -13.876 6.714 -5.296 191 1HG2 THR 17 1HG2 THR 17 -14.059 9.386 -7.661 192 2HG2 THR 17 2HG2 THR 17 -13.113 9.272 -6.177 193 3HG2 THR 17 3HG2 THR 17 -14.819 8.825 -6.173 194 H ALA 18 H ALA 18 -14.818 5.291 -9.943 195 HA ALA 18 HA ALA 18 -14.635 7.573 -11.716 196 1HB ALA 18 1HB ALA 18 -14.159 6.088 -13.391 197 2HB ALA 18 2HB ALA 18 -15.203 4.833 -12.726 198 3HB ALA 18 3HB ALA 18 -13.631 5.153 -11.992 199 H GLY 19 H GLY 19 -16.311 8.632 -12.553 200 1HA GLY 19 2HA GLY 19 -18.551 7.831 -13.745 201 2HA GLY 19 1HA GLY 19 -19.000 7.627 -12.060 202 H TYR 20 H TYR 20 -17.493 9.920 -11.120 203 HA TYR 20 HA TYR 20 -19.470 11.931 -11.657 204 1HB TYR 20 2HB TYR 20 -16.926 12.184 -10.042 205 2HB TYR 20 1HB TYR 20 -18.328 13.249 -9.976 206 HD1 TYR 20 1HD TYR 20 -20.214 12.711 -8.633 207 HD2 TYR 20 2HD TYR 20 -17.110 9.855 -9.174 208 HE1 TYR 20 1HE TYR 20 -21.184 11.326 -6.847 209 HE2 TYR 20 2HE TYR 20 -18.070 8.462 -7.391 210 HH TYR 20 HH TYR 20 -20.511 8.193 -6.381 211 HA PRO 21 HA PRO 21 -17.237 13.934 -14.930 212 1HB PRO 21 2HB PRO 21 -18.644 16.221 -15.083 213 2HB PRO 21 1HB PRO 21 -19.323 14.670 -15.593 214 1HG PRO 21 2HG PRO 21 -19.733 16.168 -13.033 215 2HG PRO 21 1HG PRO 21 -20.926 15.326 -14.039 216 1HD PRO 21 2HD PRO 21 -19.833 14.250 -11.778 217 2HD PRO 21 1HD PRO 21 -20.417 13.277 -13.143 218 H GLY 22 H GLY 22 -15.223 14.254 -13.878 219 1HA GLY 22 2HA GLY 22 -13.788 16.309 -13.786 220 2HA GLY 22 1HA GLY 22 -14.933 16.899 -12.592 221 H VAL 23 H VAL 23 -14.761 13.707 -11.973 222 HA VAL 23 HA VAL 23 -13.071 14.111 -9.683 223 HB VAL 23 HB VAL 23 -15.077 12.708 -9.528 224 1HG1 VAL 23 1HG1 VAL 23 -13.852 10.414 -10.902 225 2HG1 VAL 23 2HG1 VAL 23 -14.399 11.723 -11.950 226 3HG1 VAL 23 3HG1 VAL 23 -15.533 10.943 -10.848 227 1HG2 VAL 23 1HG2 VAL 23 -14.162 11.384 -7.953 228 2HG2 VAL 23 2HG2 VAL 23 -12.683 12.258 -8.348 229 3HG2 VAL 23 3HG2 VAL 23 -12.995 10.682 -9.072 230 H HIS 24 H HIS 24 -10.953 13.876 -9.650 231 HA HIS 24 HA HIS 24 -9.686 12.072 -11.606 232 1HB HIS 24 2HB HIS 24 -9.236 14.854 -11.108 233 2HB HIS 24 1HB HIS 24 -7.785 13.962 -10.659 234 HD1 HIS 24 1HD HIS 24 -8.092 15.898 -13.163 235 HD2 HIS 24 2HD HIS 24 -8.221 11.744 -13.228 236 HE1 HIS 24 1HE HIS 24 -7.464 15.242 -15.508 237 HE2 HIS 24 2HE HIS 24 -7.452 12.723 -15.495 238 H VAL 25 H VAL 25 -9.568 10.276 -10.289 239 HA VAL 25 HA VAL 25 -8.250 10.549 -7.690 240 HB VAL 25 HB VAL 25 -9.467 8.057 -8.880 241 1HG1 VAL 25 1HG1 VAL 25 -9.662 7.779 -6.213 242 2HG1 VAL 25 2HG1 VAL 25 -8.196 8.754 -6.310 243 3HG1 VAL 25 3HG1 VAL 25 -8.284 7.208 -7.154 244 1HG2 VAL 25 1HG2 VAL 25 -11.297 8.700 -7.112 245 2HG2 VAL 25 2HG2 VAL 25 -11.339 9.382 -8.738 246 3HG2 VAL 25 3HG2 VAL 25 -10.699 10.333 -7.398 247 H SER 26 H SER 26 -6.128 10.939 -8.461 248 HA SER 26 HA SER 26 -4.699 8.493 -9.088 249 1HB SER 26 2HB SER 26 -5.144 9.326 -11.317 250 2HB SER 26 1HB SER 26 -4.573 10.933 -10.873 251 HG SER 26 HG SER 26 -2.996 9.682 -12.006 252 H ASP 27 H ASP 27 -4.970 10.616 -6.941 253 HA ASP 27 HA ASP 27 -2.095 10.966 -6.521 254 1HB ASP 27 2HB ASP 27 -4.161 13.146 -6.161 255 2HB ASP 27 1HB ASP 27 -2.484 13.255 -5.639 256 H LEU 28 H LEU 28 -1.436 10.800 -4.398 257 HA LEU 28 HA LEU 28 -3.475 9.810 -2.547 258 1HB LEU 28 2HB LEU 28 -1.016 8.817 -3.216 259 2HB LEU 28 1HB LEU 28 -0.661 9.666 -1.724 260 HG LEU 28 HG LEU 28 -3.041 7.940 -1.605 261 1HD1 LEU 28 1HD1 LEU 28 -1.063 6.824 -3.032 262 2HD1 LEU 28 2HD1 LEU 28 -2.108 5.912 -1.941 263 3HD1 LEU 28 3HD1 LEU 28 -0.512 6.435 -1.402 264 1HD2 LEU 28 1HD2 LEU 28 -2.464 8.732 0.457 265 2HD2 LEU 28 2HD2 LEU 28 -0.736 8.726 0.100 266 3HD2 LEU 28 3HD2 LEU 28 -1.569 7.213 0.459 267 H SER 29 H SER 29 -3.397 12.595 -2.981 268 HA SER 29 HA SER 29 -3.234 13.511 -0.300 269 1HB SER 29 2HB SER 29 -0.902 13.710 -0.524 270 2HB SER 29 1HB SER 29 -1.020 14.270 -2.192 271 HG SER 29 HG SER 29 -1.329 16.245 -1.510 272 H SER 30 H SER 30 -2.500 15.335 -3.252 273 HA SER 30 HA SER 30 -4.320 17.379 -2.767 274 1HB SER 30 2HB SER 30 -2.509 17.667 -4.348 275 2HB SER 30 1HB SER 30 -3.173 16.413 -5.395 276 HG SER 30 HG SER 30 -3.788 19.036 -5.272 277 H SER 31 H SER 31 -4.730 14.400 -4.626 278 HA SER 31 HA SER 31 -7.170 14.921 -5.824 279 1HB SER 31 2HB SER 31 -5.684 12.486 -5.049 280 2HB SER 31 1HB SER 31 -7.414 12.273 -5.319 281 HG SER 31 HG SER 31 -7.028 12.393 -7.369 282 H TRP 32 H TRP 32 -6.475 14.210 -2.492 283 HA TRP 32 HA TRP 32 -9.336 13.899 -1.915 284 1HB TRP 32 2HB TRP 32 -7.020 13.484 -0.021 285 2HB TRP 32 1HB TRP 32 -8.691 12.981 0.211 286 HD1 TRP 32 HD TRP 32 -5.815 12.236 -2.296 287 HE1 TRP 32 1HE TRP 32 -5.956 9.749 -2.940 288 HE3 TRP 32 3HE TRP 32 -10.002 10.955 0.340 289 HZ2 TRP 32 2HZ TRP 32 -7.624 7.535 -2.402 290 HZ3 TRP 32 3HZ TRP 32 -10.805 8.631 0.222 291 HH2 TRP 32 HH TRP 32 -9.640 6.959 -1.122 292 H ALA 33 H ALA 33 -7.607 16.446 -2.410 293 HA ALA 33 HA ALA 33 -7.558 17.928 -0.023 294 1HB ALA 33 1HB ALA 33 -6.442 18.425 -2.291 295 2HB ALA 33 2HB ALA 33 -7.028 19.779 -1.323 296 3HB ALA 33 3HB ALA 33 -7.971 19.206 -2.700 297 H ASP 34 H ASP 34 -9.999 17.779 -2.612 298 HA ASP 34 HA ASP 34 -11.796 19.478 -1.100 299 1HB ASP 34 2HB ASP 34 -13.285 19.300 -3.025 300 2HB ASP 34 1HB ASP 34 -11.653 19.701 -3.551 301 H GLY 35 H GLY 35 -10.971 16.393 -0.663 302 1HA GLY 35 2HA GLY 35 -11.974 14.574 0.304 303 2HA GLY 35 1HA GLY 35 -13.158 15.716 0.920 304 H LEU 36 H LEU 36 -12.796 15.453 -2.506 305 HA LEU 36 HA LEU 36 -15.511 14.671 -2.828 306 1HB LEU 36 2HB LEU 36 -14.136 16.102 -4.402 307 2HB LEU 36 1HB LEU 36 -13.370 14.623 -4.945 308 HG LEU 36 HG LEU 36 -15.570 13.766 -5.674 309 1HD1 LEU 36 1HD1 LEU 36 -17.126 14.826 -4.285 310 2HD1 LEU 36 2HD1 LEU 36 -17.390 15.545 -5.874 311 3HD1 LEU 36 3HD1 LEU 36 -16.487 16.429 -4.643 312 1HD2 LEU 36 1HD2 LEU 36 -14.365 14.713 -7.418 313 2HD2 LEU 36 2HD2 LEU 36 -14.499 16.343 -6.757 314 3HD2 LEU 36 3HD2 LEU 36 -15.905 15.571 -7.490 315 H ALA 37 H ALA 37 -12.467 12.967 -2.800 316 HA ALA 37 HA ALA 37 -13.271 10.592 -4.064 317 1HB ALA 37 1HB ALA 37 -11.193 9.891 -3.608 318 2HB ALA 37 2HB ALA 37 -11.348 10.242 -1.887 319 3HB ALA 37 3HB ALA 37 -10.931 11.532 -3.016 320 H LEU 38 H LEU 38 -13.271 11.508 -0.628 321 HA LEU 38 HA LEU 38 -14.328 9.052 0.308 322 1HB LEU 38 2HB LEU 38 -13.221 11.188 1.516 323 2HB LEU 38 1HB LEU 38 -14.913 11.533 1.818 324 HG LEU 38 HG LEU 38 -14.837 8.954 2.602 325 1HD1 LEU 38 1HD1 LEU 38 -12.058 9.950 2.648 326 2HD1 LEU 38 2HD1 LEU 38 -12.676 8.301 2.530 327 3HD1 LEU 38 3HD1 LEU 38 -12.618 9.112 4.096 328 1HD2 LEU 38 1HD2 LEU 38 -15.754 10.291 4.176 329 2HD2 LEU 38 2HD2 LEU 38 -14.546 11.557 3.961 330 3HD2 LEU 38 3HD2 LEU 38 -14.162 10.128 4.921 331 H CYS 39 H CYS 39 -15.824 12.176 -0.463 332 HA CYS 39 HA CYS 39 -18.455 11.464 0.236 333 1HB CYS 39 2HB CYS 39 -17.328 13.783 -0.428 334 2HB CYS 39 1HB CYS 39 -17.991 13.375 -2.006 335 HG CYS 39 HG CYS 39 -19.792 13.700 0.513 336 H ALA 40 H ALA 40 -16.628 11.154 -2.761 337 HA ALA 40 HA ALA 40 -18.711 10.382 -4.462 338 1HB ALA 40 1HB ALA 40 -15.774 9.719 -4.495 339 2HB ALA 40 2HB ALA 40 -16.615 10.966 -5.415 340 3HB ALA 40 3HB ALA 40 -16.886 9.265 -5.787 341 H LEU 41 H LEU 41 -16.663 8.494 -2.286 342 HA LEU 41 HA LEU 41 -17.541 5.939 -3.066 343 1HB LEU 41 2HB LEU 41 -16.396 6.992 -0.488 344 2HB LEU 41 1HB LEU 41 -16.804 5.300 -0.706 345 HG LEU 41 HG LEU 41 -15.002 6.578 -2.707 346 1HD1 LEU 41 1HD1 LEU 41 -13.119 6.564 -1.394 347 2HD1 LEU 41 2HD1 LEU 41 -13.811 5.443 -0.221 348 3HD1 LEU 41 3HD1 LEU 41 -14.327 7.128 -0.240 349 1HD2 LEU 41 1HD2 LEU 41 -14.031 4.342 -2.743 350 2HD2 LEU 41 2HD2 LEU 41 -15.774 4.277 -3.002 351 3HD2 LEU 41 3HD2 LEU 41 -15.101 3.847 -1.431 352 H VAL 42 H VAL 42 -18.603 8.021 -0.377 353 HA VAL 42 HA VAL 42 -20.615 6.344 0.600 354 HB VAL 42 HB VAL 42 -20.694 9.362 0.634 355 1HG1 VAL 42 1HG1 VAL 42 -21.871 7.283 2.476 356 2HG1 VAL 42 2HG1 VAL 42 -22.758 8.317 1.356 357 3HG1 VAL 42 3HG1 VAL 42 -21.926 9.027 2.738 358 1HG2 VAL 42 1HG2 VAL 42 -19.023 9.444 2.114 359 2HG2 VAL 42 2HG2 VAL 42 -18.626 7.807 1.589 360 3HG2 VAL 42 3HG2 VAL 42 -19.638 8.056 3.011 361 H TYR 43 H TYR 43 -20.785 8.962 -1.793 362 HA TYR 43 HA TYR 43 -23.539 8.871 -2.265 363 1HB TYR 43 2HB TYR 43 -22.157 10.708 -3.067 364 2HB TYR 43 1HB TYR 43 -21.294 9.622 -4.149 365 HD1 TYR 43 1HD TYR 43 -24.309 11.585 -3.645 366 HD2 TYR 43 2HD TYR 43 -22.431 8.701 -6.144 367 HE1 TYR 43 1HE TYR 43 -25.953 12.055 -5.412 368 HE2 TYR 43 2HE TYR 43 -24.067 9.163 -7.918 369 HH TYR 43 HH TYR 43 -26.674 10.191 -7.795 370 H ARG 44 H ARG 44 -20.892 6.987 -3.635 371 HA ARG 44 HA ARG 44 -22.334 5.749 -5.705 372 1HB ARG 44 2HB ARG 44 -19.750 5.762 -5.038 373 2HB ARG 44 1HB ARG 44 -20.192 4.222 -4.314 374 1HG ARG 44 2HG ARG 44 -21.292 4.342 -6.939 375 2HG ARG 44 1HG ARG 44 -19.585 4.784 -7.012 376 1HD ARG 44 2HD ARG 44 -19.554 2.470 -7.248 377 2HD ARG 44 1HD ARG 44 -19.200 2.713 -5.538 378 HE ARG 44 HE ARG 44 -21.183 1.691 -5.014 379 1HH1 ARG 44 1HH1 ARG 44 -21.189 2.508 -8.407 380 2HH1 ARG 44 2HH1 ARG 44 -22.643 1.632 -8.744 381 1HH2 ARG 44 1HH2 ARG 44 -23.096 0.537 -5.455 382 2HH2 ARG 44 2HH2 ARG 44 -23.728 0.513 -7.068 383 H LEU 45 H LEU 45 -21.917 4.926 -2.303 384 HA LEU 45 HA LEU 45 -23.437 2.471 -2.591 385 1HB LEU 45 2HB LEU 45 -22.032 3.835 -0.322 386 2HB LEU 45 1HB LEU 45 -23.183 2.551 0.001 387 HG LEU 45 HG LEU 45 -20.810 1.800 -0.065 388 1HD1 LEU 45 1HD1 LEU 45 -21.421 -0.232 -0.823 389 2HD1 LEU 45 2HD1 LEU 45 -22.037 0.402 -2.349 390 3HD1 LEU 45 3HD1 LEU 45 -23.019 0.508 -0.888 391 1HD2 LEU 45 1HD2 LEU 45 -19.749 1.566 -2.284 392 2HD2 LEU 45 2HD2 LEU 45 -19.960 3.249 -1.798 393 3HD2 LEU 45 3HD2 LEU 45 -21.053 2.528 -2.980 394 H GLN 46 H GLN 46 -23.909 5.761 -1.560 395 HA GLN 46 HA GLN 46 -26.778 5.287 -1.382 396 1HB GLN 46 2HB GLN 46 -25.039 6.067 0.892 397 2HB GLN 46 1HB GLN 46 -26.553 6.947 0.727 398 1HG GLN 46 2HG GLN 46 -27.838 5.006 0.992 399 2HG GLN 46 1HG GLN 46 -26.453 3.951 0.715 400 1HE2 GLN 46 1HE2 GLN 46 -28.422 5.305 3.014 401 2HE2 GLN 46 2HE2 GLN 46 -27.430 5.056 4.408 402 HA PRO 47 HA PRO 47 -25.561 9.176 -3.619 403 1HB PRO 47 2HB PRO 47 -27.156 8.758 -5.771 404 2HB PRO 47 1HB PRO 47 -25.521 8.096 -5.650 405 1HG PRO 47 2HG PRO 47 -28.151 6.760 -5.131 406 2HG PRO 47 1HG PRO 47 -26.728 6.138 -5.992 407 1HD PRO 47 2HD PRO 47 -27.296 5.468 -3.427 408 2HD PRO 47 1HD PRO 47 -25.635 5.587 -4.040 409 H GLY 48 H GLY 48 -28.666 7.655 -2.987 410 1HA GLY 48 2HA GLY 48 -30.268 9.956 -3.416 411 2HA GLY 48 1HA GLY 48 -30.735 8.530 -2.502 412 H LEU 49 H LEU 49 -28.242 8.988 -0.795 413 HA LEU 49 HA LEU 49 -29.410 11.121 0.874 414 1HB LEU 49 2HB LEU 49 -28.146 8.500 1.593 415 2HB LEU 49 1HB LEU 49 -28.173 9.822 2.747 416 HG LEU 49 HG LEU 49 -30.652 8.685 1.459 417 1HD1 LEU 49 1HD1 LEU 49 -29.313 7.087 2.930 418 2HD1 LEU 49 2HD1 LEU 49 -31.008 7.346 3.345 419 3HD1 LEU 49 3HD1 LEU 49 -29.741 8.155 4.267 420 1HD2 LEU 49 1HD2 LEU 49 -30.714 10.101 4.045 421 2HD2 LEU 49 2HD2 LEU 49 -31.849 10.145 2.695 422 3HD2 LEU 49 3HD2 LEU 49 -30.359 11.089 2.627 423 H LEU 50 H LEU 50 -27.519 11.706 -1.144 424 HA LEU 50 HA LEU 50 -25.548 13.047 0.449 425 1HB LEU 50 2HB LEU 50 -24.870 10.504 -0.502 426 2HB LEU 50 1HB LEU 50 -24.071 11.623 -1.590 427 HG LEU 50 HG LEU 50 -23.340 12.747 0.715 428 1HD1 LEU 50 1HD1 LEU 50 -22.726 10.790 2.242 429 2HD1 LEU 50 2HD1 LEU 50 -23.974 9.893 1.379 430 3HD1 LEU 50 3HD1 LEU 50 -24.396 11.357 2.266 431 1HD2 LEU 50 1HD2 LEU 50 -22.104 10.397 -0.697 432 2HD2 LEU 50 2HD2 LEU 50 -21.285 11.274 0.595 433 3HD2 LEU 50 3HD2 LEU 50 -21.732 12.110 -0.893 434 H GLU 51 H GLU 51 -23.975 14.275 -1.010 435 HA GLU 51 HA GLU 51 -24.857 14.825 -3.692 436 1HB GLU 51 2HB GLU 51 -25.271 16.863 -1.501 437 2HB GLU 51 1HB GLU 51 -25.258 17.268 -3.212 438 1HG GLU 51 2HG GLU 51 -27.115 15.533 -3.453 439 2HG GLU 51 1HG GLU 51 -27.239 15.609 -1.697 440 HA PRO 52 HA PRO 52 -20.318 15.456 -2.478 441 1HB PRO 52 2HB PRO 52 -19.452 14.023 -4.687 442 2HB PRO 52 1HB PRO 52 -19.634 13.365 -3.059 443 1HG PRO 52 2HG PRO 52 -21.500 13.203 -5.387 444 2HG PRO 52 1HG PRO 52 -21.083 11.960 -4.191 445 1HD PRO 52 2HD PRO 52 -23.391 13.302 -4.044 446 2HD PRO 52 1HD PRO 52 -22.490 12.867 -2.577 447 H SER 53 H SER 53 -22.334 15.961 -5.250 448 HA SER 53 HA SER 53 -20.517 17.280 -6.932 449 1HB SER 53 2HB SER 53 -22.554 18.294 -7.964 450 2HB SER 53 1HB SER 53 -22.659 16.543 -7.783 451 HG SER 53 HG SER 53 -24.572 17.515 -7.080 452 H GLU 54 H GLU 54 -22.702 18.512 -4.436 453 HA GLU 54 HA GLU 54 -21.955 21.238 -4.796 454 1HB GLU 54 2HB GLU 54 -23.892 19.809 -3.315 455 2HB GLU 54 1HB GLU 54 -22.958 20.736 -2.150 456 1HG GLU 54 2HG GLU 54 -24.385 22.380 -2.641 457 2HG GLU 54 1HG GLU 54 -23.383 22.595 -4.077 458 H LEU 55 H LEU 55 -21.142 18.807 -2.328 459 HA LEU 55 HA LEU 55 -19.401 20.426 -0.833 460 1HB LEU 55 2HB LEU 55 -19.814 17.482 -1.111 461 2HB LEU 55 1HB LEU 55 -18.422 18.068 -0.222 462 HG LEU 55 HG LEU 55 -20.171 17.603 1.343 463 1HD1 LEU 55 1HD1 LEU 55 -18.824 19.924 1.275 464 2HD1 LEU 55 2HD1 LEU 55 -19.938 19.481 2.567 465 3HD1 LEU 55 3HD1 LEU 55 -20.479 20.532 1.259 466 1HD2 LEU 55 1HD2 LEU 55 -21.977 19.597 0.027 467 2HD2 LEU 55 2HD2 LEU 55 -22.372 18.327 1.186 468 3HD2 LEU 55 3HD2 LEU 55 -21.973 17.907 -0.481 469 H GLN 56 H GLN 56 -18.979 18.975 -3.896 470 HA GLN 56 HA GLN 56 -16.232 18.455 -3.892 471 1HB GLN 56 2HB GLN 56 -17.657 17.657 -5.679 472 2HB GLN 56 1HB GLN 56 -18.055 19.303 -6.145 473 1HG GLN 56 2HG GLN 56 -15.224 18.997 -6.195 474 2HG GLN 56 1HG GLN 56 -15.962 17.670 -7.090 475 1HE2 GLN 56 1HE2 GLN 56 -15.882 21.180 -6.785 476 2HE2 GLN 56 2HE2 GLN 56 -16.291 21.514 -8.430 477 H GLY 57 H GLY 57 -18.014 21.428 -4.530 478 1HA GLY 57 2HA GLY 57 -15.420 22.841 -4.597 479 2HA GLY 57 1HA GLY 57 -16.825 23.360 -5.516 480 H LEU 58 H LEU 58 -18.269 22.426 -2.829 481 HA LEU 58 HA LEU 58 -18.735 25.016 -1.862 482 1HB LEU 58 2HB LEU 58 -19.596 22.338 -1.247 483 2HB LEU 58 1HB LEU 58 -19.295 23.224 0.234 484 HG LEU 58 HG LEU 58 -20.740 25.060 -1.106 485 1HD1 LEU 58 1HD1 LEU 58 -21.046 23.522 -3.020 486 2HD1 LEU 58 2HD1 LEU 58 -22.565 24.015 -2.272 487 3HD1 LEU 58 3HD1 LEU 58 -21.901 22.413 -1.950 488 1HD2 LEU 58 1HD2 LEU 58 -21.045 23.975 1.192 489 2HD2 LEU 58 2HD2 LEU 58 -22.115 22.838 0.369 490 3HD2 LEU 58 3HD2 LEU 58 -22.488 24.563 0.366 491 H GLY 59 H GLY 59 -16.368 22.591 -1.005 492 1HA GLY 59 2HA GLY 59 -14.522 24.279 0.108 493 2HA GLY 59 1HA GLY 59 -15.577 23.860 1.449 494 H ALA 60 H ALA 60 -12.776 23.253 1.161 495 HA ALA 60 HA ALA 60 -12.481 20.499 0.457 496 1HB ALA 60 1HB ALA 60 -10.768 22.664 1.120 497 2HB ALA 60 2HB ALA 60 -10.347 21.097 0.431 498 3HB ALA 60 3HB ALA 60 -10.379 21.311 2.180 499 H LEU 61 H LEU 61 -12.078 22.118 3.614 500 HA LEU 61 HA LEU 61 -12.183 19.752 5.124 501 1HB LEU 61 2HB LEU 61 -11.357 22.101 5.786 502 2HB LEU 61 1HB LEU 61 -13.034 22.433 6.174 503 HG LEU 61 HG LEU 61 -11.839 19.996 7.375 504 1HD1 LEU 61 1HD1 LEU 61 -10.810 21.265 9.180 505 2HD1 LEU 61 2HD1 LEU 61 -11.187 22.775 8.348 506 3HD1 LEU 61 3HD1 LEU 61 -10.044 21.636 7.634 507 1HD2 LEU 61 1HD2 LEU 61 -14.225 21.130 7.623 508 2HD2 LEU 61 2HD2 LEU 61 -13.376 22.044 8.869 509 3HD2 LEU 61 3HD2 LEU 61 -13.444 20.284 8.959 510 H GLU 62 H GLU 62 -14.689 22.003 4.104 511 HA GLU 62 HA GLU 62 -16.784 21.034 5.697 512 1HB GLU 62 2HB GLU 62 -16.707 23.154 4.263 513 2HB GLU 62 1HB GLU 62 -17.145 22.120 2.909 514 1HG GLU 62 2HG GLU 62 -19.237 22.656 3.483 515 2HG GLU 62 1HG GLU 62 -19.028 21.407 4.709 516 H ALA 63 H ALA 63 -15.723 20.103 2.441 517 HA ALA 63 HA ALA 63 -17.766 18.229 1.946 518 1HB ALA 63 1HB ALA 63 -16.519 17.556 0.078 519 2HB ALA 63 2HB ALA 63 -14.990 18.018 0.825 520 3HB ALA 63 3HB ALA 63 -16.121 19.259 0.294 521 H THR 64 H THR 64 -14.521 17.873 3.328 522 HA THR 64 HA THR 64 -14.620 15.057 3.594 523 HB THR 64 HB THR 64 -12.993 16.910 5.326 524 HG1 THR 64 1HG THR 64 -12.311 16.001 2.732 525 1HG2 THR 64 1HG2 THR 64 -11.367 14.884 4.530 526 2HG2 THR 64 2HG2 THR 64 -12.917 14.060 4.705 527 3HG2 THR 64 3HG2 THR 64 -12.232 14.951 6.064 528 H ALA 65 H ALA 65 -15.135 17.674 5.953 529 HA ALA 65 HA ALA 65 -15.759 16.035 8.139 530 1HB ALA 65 1HB ALA 65 -17.130 18.641 7.991 531 2HB ALA 65 2HB ALA 65 -15.374 18.679 7.832 532 3HB ALA 65 3HB ALA 65 -16.115 17.961 9.263 533 H TRP 66 H TRP 66 -17.841 17.519 5.684 534 HA TRP 66 HA TRP 66 -20.288 16.657 6.808 535 1HB TRP 66 2HB TRP 66 -19.939 18.480 5.061 536 2HB TRP 66 1HB TRP 66 -19.804 17.184 3.876 537 HD1 TRP 66 HD TRP 66 -22.366 18.725 6.314 538 HE1 TRP 66 1HE TRP 66 -24.728 18.167 5.455 539 HE3 TRP 66 3HE TRP 66 -21.114 15.641 2.432 540 HZ2 TRP 66 2HZ TRP 66 -25.905 16.625 3.405 541 HZ3 TRP 66 3HZ TRP 66 -22.917 14.665 1.072 542 HH2 TRP 66 HH TRP 66 -25.263 15.148 1.550 543 H ALA 67 H ALA 67 -18.150 15.270 4.355 544 HA ALA 67 HA ALA 67 -19.845 13.075 3.728 545 1HB ALA 67 1HB ALA 67 -17.015 13.800 3.144 546 2HB ALA 67 2HB ALA 67 -18.352 13.486 2.036 547 3HB ALA 67 3HB ALA 67 -17.552 12.144 2.858 548 H LEU 68 H LEU 68 -17.189 13.550 6.000 549 HA LEU 68 HA LEU 68 -16.901 10.840 6.749 550 1HB LEU 68 2HB LEU 68 -15.928 13.441 7.675 551 2HB LEU 68 1HB LEU 68 -16.128 12.272 8.967 552 HG LEU 68 HG LEU 68 -14.796 10.752 7.177 553 1HD1 LEU 68 1HD1 LEU 68 -14.633 12.703 5.628 554 2HD1 LEU 68 2HD1 LEU 68 -13.081 12.004 6.090 555 3HD1 LEU 68 3HD1 LEU 68 -13.627 13.506 6.835 556 1HD2 LEU 68 1HD2 LEU 68 -12.710 11.529 8.465 557 2HD2 LEU 68 2HD2 LEU 68 -14.042 10.823 9.379 558 3HD2 LEU 68 3HD2 LEU 68 -13.823 12.572 9.350 559 H LYS 69 H LYS 69 -18.754 13.517 8.176 560 HA LYS 69 HA LYS 69 -19.759 12.053 10.365 561 1HB LYS 69 2HB LYS 69 -20.063 14.681 9.272 562 2HB LYS 69 1HB LYS 69 -21.658 14.032 9.627 563 1HG LYS 69 2HG LYS 69 -20.165 13.379 11.862 564 2HG LYS 69 1HG LYS 69 -19.603 14.993 11.424 565 1HD LYS 69 2HD LYS 69 -22.522 14.592 11.343 566 2HD LYS 69 1HD LYS 69 -21.785 14.512 12.944 567 1HE LYS 69 2HE LYS 69 -20.560 16.704 11.947 568 2HE LYS 69 1HE LYS 69 -22.112 16.801 11.115 569 1HZ LYS 69 1HZ LYS 69 -22.024 17.976 13.287 570 2HZ LYS 69 2HZ LYS 69 -21.840 16.478 14.052 571 3HZ LYS 69 3HZ LYS 69 -23.253 16.817 13.185 572 H VAL 70 H VAL 70 -21.179 12.789 7.187 573 HA VAL 70 HA VAL 70 -23.575 11.336 7.646 574 HB VAL 70 HB VAL 70 -23.922 11.495 5.208 575 1HG1 VAL 70 1HG1 VAL 70 -24.680 13.357 6.431 576 2HG1 VAL 70 2HG1 VAL 70 -23.772 14.027 5.075 577 3HG1 VAL 70 3HG1 VAL 70 -23.043 13.963 6.680 578 1HG2 VAL 70 1HG2 VAL 70 -21.952 11.295 4.084 579 2HG2 VAL 70 2HG2 VAL 70 -21.047 12.223 5.279 580 3HG2 VAL 70 3HG2 VAL 70 -22.071 13.054 4.110 581 H ALA 71 H ALA 71 -20.469 10.509 6.187 582 HA ALA 71 HA ALA 71 -21.119 8.051 5.061 583 1HB ALA 71 1HB ALA 71 -18.547 8.973 6.335 584 2HB ALA 71 2HB ALA 71 -18.981 9.029 4.626 585 3HB ALA 71 3HB ALA 71 -18.711 7.476 5.415 586 H GLU 72 H GLU 72 -20.133 8.845 8.362 587 HA GLU 72 HA GLU 72 -20.185 6.168 9.317 588 1HB GLU 72 2HB GLU 72 -18.897 7.914 10.451 589 2HB GLU 72 1HB GLU 72 -20.380 8.786 10.817 590 1HG GLU 72 2HG GLU 72 -20.578 6.097 11.777 591 2HG GLU 72 1HG GLU 72 -19.093 6.838 12.368 592 H ASN 73 H ASN 73 -22.526 8.787 9.178 593 HA ASN 73 HA ASN 73 -24.489 7.506 10.786 594 1HB ASN 73 2HB ASN 73 -24.350 9.925 9.088 595 2HB ASN 73 1HB ASN 73 -25.955 9.246 9.341 596 1HD2 ASN 73 1HD2 ASN 73 -26.182 8.506 11.781 597 2HD2 ASN 73 2HD2 ASN 73 -25.795 9.748 12.918 598 H GLU 74 H GLU 74 -23.943 7.710 7.301 599 HA GLU 74 HA GLU 74 -26.327 6.228 6.674 600 1HB GLU 74 2HB GLU 74 -24.007 6.971 4.891 601 2HB GLU 74 1HB GLU 74 -25.578 6.387 4.361 602 1HG GLU 74 2HG GLU 74 -25.211 8.920 5.934 603 2HG GLU 74 1HG GLU 74 -25.201 8.862 4.173 604 H LEU 75 H LEU 75 -22.841 5.515 6.704 605 HA LEU 75 HA LEU 75 -23.462 2.726 6.050 606 1HB LEU 75 2HB LEU 75 -21.052 4.439 5.776 607 2HB LEU 75 1HB LEU 75 -20.804 2.721 6.017 608 HG LEU 75 HG LEU 75 -22.754 3.430 3.919 609 1HD1 LEU 75 1HD1 LEU 75 -20.543 3.638 2.425 610 2HD1 LEU 75 2HD1 LEU 75 -19.975 4.423 3.897 611 3HD1 LEU 75 3HD1 LEU 75 -21.408 5.033 3.071 612 1HD2 LEU 75 1HD2 LEU 75 -20.442 1.675 3.418 613 2HD2 LEU 75 2HD2 LEU 75 -22.153 1.430 3.068 614 3HD2 LEU 75 3HD2 LEU 75 -21.539 1.157 4.698 615 H GLY 76 H GLY 76 -21.661 4.635 8.457 616 1HA GLY 76 2HA GLY 76 -21.862 3.988 10.800 617 2HA GLY 76 1HA GLY 76 -21.899 2.317 10.271 618 H ILE 77 H ILE 77 -19.648 4.389 8.697 619 HA ILE 77 HA ILE 77 -17.451 2.890 9.857 620 HB ILE 77 HB ILE 77 -17.282 5.089 7.799 621 1HG1 ILE 77 2HG1 ILE 77 -17.400 2.127 7.228 622 2HG1 ILE 77 1HG1 ILE 77 -18.831 3.153 7.195 623 1HG2 ILE 77 1HG2 ILE 77 -15.277 3.379 7.245 624 2HG2 ILE 77 2HG2 ILE 77 -15.390 3.172 8.991 625 3HG2 ILE 77 3HG2 ILE 77 -15.109 4.774 8.311 626 1HD1 ILE 77 1HD1 ILE 77 -17.977 2.847 4.966 627 2HD1 ILE 77 2HD1 ILE 77 -16.389 3.433 5.461 628 3HD1 ILE 77 3HD1 ILE 77 -17.770 4.529 5.455 629 H THR 78 H THR 78 -16.440 3.552 11.625 630 HA THR 78 HA THR 78 -16.808 6.171 12.700 631 HB THR 78 HB THR 78 -16.580 4.326 14.223 632 HG1 THR 78 1HG THR 78 -14.181 5.827 14.353 633 1HG2 THR 78 1HG2 THR 78 -13.977 3.527 14.296 634 2HG2 THR 78 2HG2 THR 78 -14.291 3.620 12.562 635 3HG2 THR 78 3HG2 THR 78 -15.309 2.611 13.592 636 HA PRO 79 HA PRO 79 -13.583 8.331 10.538 637 1HB PRO 79 2HB PRO 79 -13.371 9.869 13.075 638 2HB PRO 79 1HB PRO 79 -13.609 10.449 11.424 639 1HG PRO 79 2HG PRO 79 -15.626 10.432 13.162 640 2HG PRO 79 1HG PRO 79 -15.886 10.018 11.458 641 1HD PRO 79 2HD PRO 79 -15.714 8.224 13.842 642 2HD PRO 79 1HD PRO 79 -16.755 8.102 12.408 643 H VAL 80 H VAL 80 -11.467 7.941 10.328 644 HA VAL 80 HA VAL 80 -9.998 6.954 12.686 645 HB VAL 80 HB VAL 80 -9.415 6.312 9.793 646 1HG1 VAL 80 1HG1 VAL 80 -7.401 5.930 10.778 647 2HG1 VAL 80 2HG1 VAL 80 -8.176 4.392 11.158 648 3HG1 VAL 80 3HG1 VAL 80 -8.107 5.668 12.374 649 1HG2 VAL 80 1HG2 VAL 80 -11.588 5.402 10.913 650 2HG2 VAL 80 2HG2 VAL 80 -10.473 4.322 11.750 651 3HG2 VAL 80 3HG2 VAL 80 -10.551 4.316 9.989 652 H VAL 81 H VAL 81 -10.070 9.266 10.115 653 HA VAL 81 HA VAL 81 -7.532 10.386 11.096 654 HB VAL 81 HB VAL 81 -7.074 11.186 8.771 655 1HG1 VAL 81 1HG1 VAL 81 -6.034 9.183 8.069 656 2HG1 VAL 81 2HG1 VAL 81 -7.233 8.185 8.891 657 3HG1 VAL 81 3HG1 VAL 81 -6.071 9.120 9.832 658 1HG2 VAL 81 1HG2 VAL 81 -8.203 10.059 6.909 659 2HG2 VAL 81 2HG2 VAL 81 -9.332 11.010 7.873 660 3HG2 VAL 81 3HG2 VAL 81 -9.281 9.256 8.052 661 H SER 82 H SER 82 -7.306 12.719 10.687 662 HA SER 82 HA SER 82 -9.857 14.056 11.099 663 1HB SER 82 2HB SER 82 -8.485 16.004 11.729 664 2HB SER 82 1HB SER 82 -8.012 14.566 12.633 665 HG SER 82 HG SER 82 -6.224 14.351 11.328 666 H ALA 83 H ALA 83 -10.542 15.866 9.893 667 HA ALA 83 HA ALA 83 -10.228 15.644 7.113 668 1HB ALA 83 1HB ALA 83 -11.572 17.628 6.947 669 2HB ALA 83 2HB ALA 83 -11.223 18.056 8.624 670 3HB ALA 83 3HB ALA 83 -12.198 16.632 8.261 671 H GLN 84 H GLN 84 -8.804 17.905 9.444 672 HA GLN 84 HA GLN 84 -7.505 19.607 7.676 673 1HB GLN 84 2HB GLN 84 -7.540 19.176 10.462 674 2HB GLN 84 1HB GLN 84 -5.849 19.128 9.984 675 1HG GLN 84 2HG GLN 84 -7.748 21.351 9.275 676 2HG GLN 84 1HG GLN 84 -6.656 21.373 10.658 677 1HE2 GLN 84 1HE2 GLN 84 -5.468 23.106 9.963 678 2HE2 GLN 84 2HE2 GLN 84 -4.418 23.045 8.592 679 H ALA 85 H ALA 85 -6.524 16.458 8.908 680 HA ALA 85 HA ALA 85 -3.885 16.513 7.873 681 1HB ALA 85 1HB ALA 85 -4.910 14.970 9.670 682 2HB ALA 85 2HB ALA 85 -3.705 14.305 8.568 683 3HB ALA 85 3HB ALA 85 -5.418 13.978 8.303 684 H VAL 86 H VAL 86 -6.955 15.273 6.624 685 HA VAL 86 HA VAL 86 -5.889 14.068 4.298 686 HB VAL 86 HB VAL 86 -8.679 15.178 4.616 687 1HG1 VAL 86 1HG1 VAL 86 -7.403 13.183 2.778 688 2HG1 VAL 86 2HG1 VAL 86 -8.417 14.570 2.383 689 3HG1 VAL 86 3HG1 VAL 86 -9.133 13.135 3.114 690 1HG2 VAL 86 1HG2 VAL 86 -7.365 12.821 5.828 691 2HG2 VAL 86 2HG2 VAL 86 -8.984 12.577 5.170 692 3HG2 VAL 86 3HG2 VAL 86 -8.712 13.798 6.413 693 H VAL 87 H VAL 87 -7.496 17.213 4.788 694 HA VAL 87 HA VAL 87 -7.222 18.106 2.134 695 HB VAL 87 HB VAL 87 -7.334 19.858 4.589 696 1HG1 VAL 87 1HG1 VAL 87 -6.792 21.008 2.494 697 2HG1 VAL 87 2HG1 VAL 87 -8.384 21.469 3.098 698 3HG1 VAL 87 3HG1 VAL 87 -8.244 20.336 1.753 699 1HG2 VAL 87 1HG2 VAL 87 -9.266 18.788 5.008 700 2HG2 VAL 87 2HG2 VAL 87 -9.345 18.088 3.392 701 3HG2 VAL 87 3HG2 VAL 87 -9.889 19.743 3.663 702 H ALA 88 H ALA 88 -5.016 18.081 4.824 703 HA ALA 88 HA ALA 88 -3.187 19.962 3.610 704 1HB ALA 88 1HB ALA 88 -1.864 19.726 5.550 705 2HB ALA 88 2HB ALA 88 -2.626 18.193 5.975 706 3HB ALA 88 3HB ALA 88 -3.540 19.697 6.097 707 H GLY 89 H GLY 89 -3.813 16.637 3.312 708 1HA GLY 89 2HA GLY 89 -2.717 14.937 2.231 709 2HA GLY 89 1HA GLY 89 -1.849 16.204 1.378 710 H SER 90 H SER 90 -1.679 15.920 4.844 711 HA SER 90 HA SER 90 1.116 15.028 4.576 712 1HB SER 90 2HB SER 90 0.075 16.476 6.994 713 2HB SER 90 1HB SER 90 1.725 16.388 6.377 714 HG SER 90 HG SER 90 1.305 18.184 5.393 715 H ASP 91 H ASP 91 -1.197 13.283 4.731 716 HA ASP 91 HA ASP 91 -0.287 11.617 6.906 717 1HB ASP 91 2HB ASP 91 -2.101 13.216 7.814 718 2HB ASP 91 1HB ASP 91 -3.227 12.259 6.857 719 HA PRO 92 HA PRO 92 -1.899 9.633 2.901 720 1HB PRO 92 2HB PRO 92 0.452 8.305 2.386 721 2HB PRO 92 1HB PRO 92 0.026 9.875 1.698 722 1HG PRO 92 2HG PRO 92 1.767 9.243 4.047 723 2HG PRO 92 1HG PRO 92 2.009 10.443 2.763 724 1HD PRO 92 2HD PRO 92 1.122 11.144 5.200 725 2HD PRO 92 1HD PRO 92 0.544 11.955 3.729 726 H LEU 93 H LEU 93 0.223 8.385 5.463 727 HA LEU 93 HA LEU 93 -0.410 5.678 5.220 728 1HB LEU 93 2HB LEU 93 1.357 6.912 6.688 729 2HB LEU 93 1HB LEU 93 0.083 6.941 7.892 730 HG LEU 93 HG LEU 93 0.572 4.297 6.695 731 1HD1 LEU 93 1HD1 LEU 93 2.605 5.353 8.633 732 2HD1 LEU 93 2HD1 LEU 93 2.864 5.385 6.888 733 3HD1 LEU 93 3HD1 LEU 93 2.631 3.846 7.716 734 1HD2 LEU 93 1HD2 LEU 93 -0.907 5.024 8.703 735 2HD2 LEU 93 2HD2 LEU 93 0.611 4.997 9.600 736 3HD2 LEU 93 3HD2 LEU 93 0.029 3.533 8.807 737 H GLY 94 H GLY 94 -1.959 8.223 7.149 738 1HA GLY 94 2HA GLY 94 -3.867 6.527 8.385 739 2HA GLY 94 1HA GLY 94 -3.975 8.276 8.252 740 H LEU 95 H LEU 95 -3.879 8.374 5.387 741 HA LEU 95 HA LEU 95 -6.616 8.152 4.800 742 1HB LEU 95 2HB LEU 95 -4.433 9.334 3.624 743 2HB LEU 95 1HB LEU 95 -4.826 8.064 2.481 744 HG LEU 95 HG LEU 95 -5.913 10.131 1.839 745 1HD1 LEU 95 1HD1 LEU 95 -7.117 7.693 2.018 746 2HD1 LEU 95 2HD1 LEU 95 -7.777 9.093 1.173 747 3HD1 LEU 95 3HD1 LEU 95 -8.287 8.738 2.824 748 1HD2 LEU 95 1HD2 LEU 95 -6.012 11.143 4.081 749 2HD2 LEU 95 2HD2 LEU 95 -7.300 10.019 4.515 750 3HD2 LEU 95 3HD2 LEU 95 -7.563 11.213 3.245 751 H ILE 96 H ILE 96 -3.873 6.059 3.992 752 HA ILE 96 HA ILE 96 -5.307 4.234 2.391 753 HB ILE 96 HB ILE 96 -2.834 3.699 4.044 754 1HG1 ILE 96 2HG1 ILE 96 -2.983 4.450 1.123 755 2HG1 ILE 96 1HG1 ILE 96 -2.724 5.632 2.402 756 1HG2 ILE 96 1HG2 ILE 96 -2.639 2.125 1.844 757 2HG2 ILE 96 2HG2 ILE 96 -4.380 2.100 2.127 758 3HG2 ILE 96 3HG2 ILE 96 -3.272 1.590 3.400 759 1HD1 ILE 96 1HD1 ILE 96 -0.940 3.288 1.792 760 2HD1 ILE 96 2HD1 ILE 96 -0.674 4.497 3.050 761 3HD1 ILE 96 3HD1 ILE 96 -0.634 4.968 1.350 762 H ALA 97 H ALA 97 -4.607 4.331 5.855 763 HA ALA 97 HA ALA 97 -5.613 1.813 6.546 764 1HB ALA 97 1HB ALA 97 -5.425 4.372 8.119 765 2HB ALA 97 2HB ALA 97 -4.322 2.997 8.148 766 3HB ALA 97 3HB ALA 97 -5.945 2.840 8.821 767 H TYR 98 H TYR 98 -7.210 4.881 5.980 768 HA TYR 98 HA TYR 98 -9.742 4.159 7.036 769 1HB TYR 98 2HB TYR 98 -8.687 6.499 6.276 770 2HB TYR 98 1HB TYR 98 -9.582 6.123 4.807 771 HD1 TYR 98 1HD TYR 98 -10.479 5.441 8.358 772 HD2 TYR 98 2HD TYR 98 -11.380 7.607 4.810 773 HE1 TYR 98 1HE TYR 98 -12.535 6.289 9.405 774 HE2 TYR 98 2HE TYR 98 -13.438 8.463 5.848 775 HH TYR 98 HH TYR 98 -14.298 8.859 8.180 776 H LEU 99 H LEU 99 -8.387 4.125 3.755 777 HA LEU 99 HA LEU 99 -10.683 3.285 2.401 778 1HB LEU 99 2HB LEU 99 -7.829 2.583 1.715 779 2HB LEU 99 1HB LEU 99 -9.196 2.585 0.618 780 HG LEU 99 HG LEU 99 -8.064 5.035 1.969 781 1HD1 LEU 99 1HD1 LEU 99 -6.439 4.670 0.436 782 2HD1 LEU 99 2HD1 LEU 99 -7.613 5.450 -0.623 783 3HD1 LEU 99 3HD1 LEU 99 -7.481 3.692 -0.600 784 1HD2 LEU 99 1HD2 LEU 99 -10.550 4.946 1.336 785 2HD2 LEU 99 2HD2 LEU 99 -9.983 4.971 -0.334 786 3HD2 LEU 99 3HD2 LEU 99 -9.594 6.306 0.750 787 H SER 100 H SER 100 -8.309 1.493 4.242 788 HA SER 100 HA SER 100 -8.902 -1.097 3.361 789 1HB SER 100 2HB SER 100 -8.114 -0.389 6.190 790 2HB SER 100 1HB SER 100 -7.766 -1.877 5.310 791 HG SER 100 HG SER 100 -6.442 -0.621 3.907 792 H HIS 101 H HIS 101 -10.440 0.948 5.774 793 HA HIS 101 HA HIS 101 -12.172 -1.093 6.777 794 1HB HIS 101 2HB HIS 101 -11.783 1.805 7.205 795 2HB HIS 101 1HB HIS 101 -13.418 1.214 7.482 796 HD1 HIS 101 1HD HIS 101 -13.227 -1.227 9.015 797 HD2 HIS 101 2HD HIS 101 -10.416 1.790 9.521 798 HE1 HIS 101 1HE HIS 101 -12.209 -1.631 11.277 799 HE2 HIS 101 2HE HIS 101 -10.571 0.256 11.598 800 H PHE 102 H PHE 102 -12.493 1.531 4.424 801 HA PHE 102 HA PHE 102 -15.247 1.224 3.929 802 1HB PHE 102 2HB PHE 102 -12.964 2.523 2.533 803 2HB PHE 102 1HB PHE 102 -14.416 2.212 1.586 804 HD1 PHE 102 1HD PHE 102 -16.298 3.590 1.775 805 HD2 PHE 102 2HD PHE 102 -13.167 3.886 4.642 806 HE1 PHE 102 1HE PHE 102 -17.336 5.624 2.692 807 HE2 PHE 102 2HE PHE 102 -14.200 5.919 5.565 808 HZ PHE 102 HZ PHE 102 -16.287 6.791 4.590 809 H HIS 103 H HIS 103 -12.402 -0.326 2.551 810 HA HIS 103 HA HIS 103 -13.687 -1.633 0.410 811 1HB HIS 103 2HB HIS 103 -11.128 -1.336 1.035 812 2HB HIS 103 1HB HIS 103 -11.363 -2.914 1.779 813 HD1 HIS 103 1HD HIS 103 -9.455 -2.761 -0.539 814 HD2 HIS 103 2HD HIS 103 -13.519 -3.479 -1.018 815 HE1 HIS 103 1HE HIS 103 -9.678 -3.914 -2.763 816 HE2 HIS 103 2HE HIS 103 -12.153 -4.260 -3.070 817 H SER 104 H SER 104 -12.979 -2.671 3.727 818 HA SER 104 HA SER 104 -13.922 -5.292 3.531 819 1HB SER 104 2HB SER 104 -13.423 -3.377 5.742 820 2HB SER 104 1HB SER 104 -14.483 -4.738 6.107 821 HG SER 104 HG SER 104 -12.841 -6.139 5.497 822 H ALA 105 H ALA 105 -15.627 -2.276 4.181 823 HA ALA 105 HA ALA 105 -18.141 -3.583 4.688 824 1HB ALA 105 1HB ALA 105 -18.863 -1.034 4.293 825 2HB ALA 105 2HB ALA 105 -17.149 -0.801 4.644 826 3HB ALA 105 3HB ALA 105 -18.185 -1.621 5.813 827 H PHE 106 H PHE 106 -16.668 -1.812 2.002 828 HA PHE 106 HA PHE 106 -18.938 -1.812 0.324 829 1HB PHE 106 2HB PHE 106 -15.998 -1.428 -0.111 830 2HB PHE 106 1HB PHE 106 -17.070 -1.579 -1.498 831 HD1 PHE 106 1HD PHE 106 -17.862 0.067 1.724 832 HD2 PHE 106 2HD PHE 106 -16.922 0.577 -2.395 833 HE1 PHE 106 1HE PHE 106 -18.419 2.457 1.897 834 HE2 PHE 106 2HE PHE 106 -17.477 2.968 -2.230 835 HZ PHE 106 HZ PHE 106 -18.227 3.912 -0.082 836 H LYS 107 H LYS 107 -16.426 -4.160 0.941 837 HA LYS 107 HA LYS 107 -17.072 -5.811 -1.321 838 1HB LYS 107 2HB LYS 107 -14.827 -5.627 -0.003 839 2HB LYS 107 1HB LYS 107 -15.574 -6.786 1.088 840 1HG LYS 107 2HG LYS 107 -16.030 -7.952 -1.323 841 2HG LYS 107 1HG LYS 107 -14.479 -7.157 -1.600 842 1HD LYS 107 2HD LYS 107 -14.068 -8.259 0.845 843 2HD LYS 107 1HD LYS 107 -15.156 -9.446 0.121 844 1HE LYS 107 2HE LYS 107 -13.327 -8.848 -1.888 845 2HE LYS 107 1HE LYS 107 -12.359 -8.926 -0.415 846 1HZ LYS 107 1HZ LYS 107 -12.365 -11.111 -0.892 847 2HZ LYS 107 2HZ LYS 107 -13.784 -11.037 -1.811 848 3HZ LYS 107 3HZ LYS 107 -13.873 -11.090 -0.122 849 H SER 108 H SER 108 -17.990 -5.632 2.048 850 HA SER 108 HA SER 108 -19.520 -8.118 1.823 851 1HB SER 108 2HB SER 108 -17.992 -7.414 3.847 852 2HB SER 108 1HB SER 108 -19.411 -6.487 4.333 853 HG SER 108 HG SER 108 -19.925 -8.352 5.200 854 H MET 109 H MET 109 -20.391 -5.869 0.321 855 HA MET 109 HA MET 109 -23.122 -5.827 1.003 856 1HB MET 109 2HB MET 109 -21.503 -3.835 2.304 857 2HB MET 109 1HB MET 109 -22.630 -3.053 1.204 858 1HG MET 109 2HG MET 109 -23.834 -5.152 2.837 859 2HG MET 109 1HG MET 109 -23.175 -3.807 3.765 860 1HE MET 109 1HE MET 109 -25.346 -4.737 0.687 861 2HE MET 109 2HE MET 109 -26.807 -3.801 1.004 862 3HE MET 109 3HE MET 109 -26.325 -5.086 2.113 Start of MODEL 18 1 1H MET -8 1HT MET -8 27.328 3.294 -13.405 2 2H MET -8 2HT MET -8 28.983 2.930 -13.135 3 3H MET -8 3HT MET -8 28.545 4.288 -14.087 4 HA MET -8 HA MET -8 29.141 5.174 -12.083 5 1HB MET -8 2HB MET -8 26.336 5.016 -12.836 6 2HB MET -8 1HB MET -8 26.526 5.340 -11.119 7 1HG MET -8 2HG MET -8 27.364 7.403 -11.460 8 2HG MET -8 1HG MET -8 28.211 6.937 -12.934 9 1HE MET -8 1HE MET -8 25.681 9.980 -13.423 10 2HE MET -8 2HE MET -8 26.860 9.491 -12.206 11 3HE MET -8 3HE MET -8 25.136 9.282 -11.898 12 H GLY -7 H GLY -7 28.112 5.312 -9.655 13 1HA GLY -7 2HA GLY -7 28.482 2.592 -8.569 14 2HA GLY -7 1HA GLY -7 28.986 4.062 -7.750 15 H HIS -6 H HIS -6 25.917 3.800 -9.400 16 HA HIS -6 HA HIS -6 24.575 3.884 -6.779 17 1HB HIS -6 2HB HIS -6 24.468 5.840 -8.596 18 2HB HIS -6 1HB HIS -6 23.168 4.834 -9.222 19 HD1 HIS -6 1HD HIS -6 24.044 5.708 -5.623 20 HD2 HIS -6 2HD HIS -6 20.909 6.029 -8.333 21 HE1 HIS -6 1HE HIS -6 22.130 6.692 -4.323 22 HE2 HIS -6 2HE HIS -6 20.219 6.800 -5.962 23 H HIS -5 H HIS -5 24.382 1.628 -6.607 24 HA HIS -5 HA HIS -5 23.254 0.003 -8.641 25 1HB HIS -5 2HB HIS -5 23.467 -0.482 -5.663 26 2HB HIS -5 1HB HIS -5 23.055 -1.703 -6.863 27 HD1 HIS -5 1HD HIS -5 25.723 -1.170 -4.880 28 HD2 HIS -5 2HD HIS -5 25.419 -1.225 -9.025 29 HE1 HIS -5 1HE HIS -5 28.042 -1.664 -5.718 30 HE2 HIS -5 2HE HIS -5 27.843 -1.654 -8.230 31 H HIS -4 H HIS -4 21.198 -0.344 -9.186 32 HA HIS -4 HA HIS -4 19.109 0.833 -7.487 33 1HB HIS -4 2HB HIS -4 19.211 0.256 -10.446 34 2HB HIS -4 1HB HIS -4 17.712 0.657 -9.613 35 HD1 HIS -4 1HD HIS -4 17.834 3.066 -8.284 36 HD2 HIS -4 2HD HIS -4 20.561 2.420 -11.352 37 HE1 HIS -4 1HE HIS -4 18.670 5.348 -8.932 38 HE2 HIS -4 2HE HIS -4 20.387 4.924 -10.727 39 H HIS -3 H HIS -3 18.075 -0.581 -6.252 40 HA HIS -3 HA HIS -3 16.890 -2.937 -7.375 41 1HB HIS -3 2HB HIS -3 19.395 -3.429 -6.636 42 2HB HIS -3 1HB HIS -3 18.647 -3.564 -5.048 43 HD1 HIS -3 1HD HIS -3 16.996 -4.739 -8.226 44 HD2 HIS -3 2HD HIS -3 18.833 -6.308 -4.846 45 HE1 HIS -3 1HE HIS -3 16.555 -7.214 -8.308 46 HE2 HIS -3 2HE HIS -3 17.745 -8.152 -6.295 47 H HIS -2 H HIS -2 15.155 -3.642 -6.198 48 HA HIS -2 HA HIS -2 14.714 -3.244 -3.471 49 1HB HIS -2 2HB HIS -2 13.025 -1.414 -3.554 50 2HB HIS -2 1HB HIS -2 14.658 -0.872 -3.922 51 HD1 HIS -2 1HD HIS -2 11.715 0.282 -4.864 52 HD2 HIS -2 2HD HIS -2 14.629 -1.604 -7.149 53 HE1 HIS -2 1HE HIS -2 11.298 1.021 -7.229 54 HE2 HIS -2 2HE HIS -2 13.008 -0.212 -8.607 55 H HIS -1 H HIS -1 13.288 -3.450 -6.681 56 HA HIS -1 HA HIS -1 11.645 -4.780 -7.524 57 1HB HIS -1 2HB HIS -1 12.814 -6.384 -5.723 58 2HB HIS -1 1HB HIS -1 11.225 -6.255 -4.976 59 HD1 HIS -1 1HD HIS -1 13.040 -8.157 -7.432 60 HD2 HIS -1 2HD HIS -1 9.081 -7.016 -6.898 61 HE1 HIS -1 1HE HIS -1 11.691 -9.713 -8.877 62 HE2 HIS -1 2HE HIS -1 9.306 -8.947 -8.603 63 H MET 0 H MET 0 11.090 -2.305 -6.044 64 HA MET 0 HA MET 0 9.321 -1.076 -5.318 65 1HB MET 0 2HB MET 0 7.668 -3.312 -6.503 66 2HB MET 0 1HB MET 0 7.123 -1.675 -6.165 67 1HG MET 0 2HG MET 0 9.167 -2.510 -8.209 68 2HG MET 0 1HG MET 0 7.533 -1.923 -8.517 69 1HE MET 0 1HE MET 0 6.701 0.168 -8.408 70 2HE MET 0 2HE MET 0 7.738 0.731 -9.720 71 3HE MET 0 3HE MET 0 7.559 1.702 -8.258 72 H GLY 1 H GLY 1 7.273 -1.148 -3.926 73 1HA GLY 1 2HA GLY 1 6.739 -3.374 -2.274 74 2HA GLY 1 1HA GLY 1 7.881 -2.313 -1.461 75 H SER 2 H SER 2 7.203 0.047 -1.416 76 HA SER 2 HA SER 2 4.652 0.213 -0.170 77 1HB SER 2 2HB SER 2 6.949 1.699 -0.049 78 2HB SER 2 1HB SER 2 5.892 2.758 -0.983 79 HG SER 2 HG SER 2 5.305 1.604 1.544 80 H ALA 3 H ALA 3 5.914 1.162 -3.318 81 HA ALA 3 HA ALA 3 3.559 2.549 -4.145 82 1HB ALA 3 1HB ALA 3 6.017 1.572 -5.546 83 2HB ALA 3 2HB ALA 3 5.469 3.226 -5.278 84 3HB ALA 3 3HB ALA 3 4.651 2.207 -6.462 85 H GLY 4 H GLY 4 4.680 -0.759 -4.320 86 1HA GLY 4 2HA GLY 4 2.990 -1.746 -6.317 87 2HA GLY 4 1HA GLY 4 3.640 -2.691 -4.987 88 H THR 5 H THR 5 2.452 -1.688 -2.793 89 HA THR 5 HA THR 5 -0.161 -2.772 -2.952 90 HB THR 5 HB THR 5 -0.310 -1.701 -0.581 91 HG1 THR 5 1HG THR 5 1.549 -0.303 -1.089 92 1HG2 THR 5 1HG2 THR 5 0.104 -3.807 -0.058 93 2HG2 THR 5 2HG2 THR 5 1.823 -3.408 -0.069 94 3HG2 THR 5 3HG2 THR 5 1.057 -4.045 -1.525 95 H GLN 6 H GLN 6 1.112 0.498 -2.953 96 HA GLN 6 HA GLN 6 -1.309 1.872 -2.559 97 1HB GLN 6 2HB GLN 6 1.384 2.544 -3.001 98 2HB GLN 6 1HB GLN 6 0.485 3.326 -4.292 99 1HG GLN 6 2HG GLN 6 -0.270 4.886 -2.920 100 2HG GLN 6 1HG GLN 6 -0.850 3.681 -1.771 101 1HE2 GLN 6 1HE2 GLN 6 2.082 5.342 -2.840 102 2HE2 GLN 6 2HE2 GLN 6 2.844 5.369 -1.290 103 H GLU 7 H GLU 7 0.179 0.486 -5.405 104 HA GLU 7 HA GLU 7 -1.347 1.786 -7.371 105 1HB GLU 7 2HB GLU 7 0.745 0.335 -7.655 106 2HB GLU 7 1HB GLU 7 -0.348 -1.043 -7.612 107 1HG GLU 7 2HG GLU 7 -1.574 -0.061 -9.529 108 2HG GLU 7 1HG GLU 7 -0.348 1.204 -9.611 109 H GLU 8 H GLU 8 -1.888 -1.313 -5.700 110 HA GLU 8 HA GLU 8 -4.268 -1.952 -7.085 111 1HB GLU 8 2HB GLU 8 -4.639 -3.602 -5.310 112 2HB GLU 8 1HB GLU 8 -2.984 -3.650 -5.900 113 1HG GLU 8 2HG GLU 8 -2.126 -2.741 -3.959 114 2HG GLU 8 1HG GLU 8 -3.669 -2.033 -3.485 115 H LEU 9 H LEU 9 -3.615 -0.073 -4.198 116 HA LEU 9 HA LEU 9 -6.346 0.123 -3.378 117 1HB LEU 9 2HB LEU 9 -3.978 1.855 -2.668 118 2HB LEU 9 1HB LEU 9 -5.531 1.870 -1.852 119 HG LEU 9 HG LEU 9 -3.701 -0.527 -1.959 120 1HD1 LEU 9 1HD1 LEU 9 -3.828 1.796 -0.131 121 2HD1 LEU 9 2HD1 LEU 9 -2.463 0.771 -0.578 122 3HD1 LEU 9 3HD1 LEU 9 -3.641 0.203 0.604 123 1HD2 LEU 9 1HD2 LEU 9 -5.813 -1.374 -1.557 124 2HD2 LEU 9 2HD2 LEU 9 -6.333 0.058 -0.669 125 3HD2 LEU 9 3HD2 LEU 9 -5.216 -1.084 0.077 126 H LEU 10 H LEU 10 -4.106 2.282 -5.087 127 HA LEU 10 HA LEU 10 -5.903 4.424 -5.409 128 1HB LEU 10 2HB LEU 10 -3.325 3.597 -6.612 129 2HB LEU 10 1HB LEU 10 -4.285 4.741 -7.531 130 HG LEU 10 HG LEU 10 -4.238 5.698 -4.875 131 1HD1 LEU 10 1HD1 LEU 10 -2.363 4.713 -4.089 132 2HD1 LEU 10 2HD1 LEU 10 -1.589 6.016 -4.988 133 3HD1 LEU 10 3HD1 LEU 10 -1.713 4.407 -5.700 134 1HD2 LEU 10 1HD2 LEU 10 -3.691 7.630 -5.902 135 2HD2 LEU 10 2HD2 LEU 10 -4.081 6.721 -7.361 136 3HD2 LEU 10 3HD2 LEU 10 -2.402 6.888 -6.848 137 H ARG 11 H ARG 11 -5.089 1.708 -7.547 138 HA ARG 11 HA ARG 11 -6.682 2.468 -9.718 139 1HB ARG 11 2HB ARG 11 -6.480 0.199 -10.493 140 2HB ARG 11 1HB ARG 11 -4.951 0.682 -9.772 141 1HG ARG 11 2HG ARG 11 -5.485 -0.549 -7.754 142 2HG ARG 11 1HG ARG 11 -7.059 -0.990 -8.418 143 1HD ARG 11 2HD ARG 11 -5.828 -2.092 -10.314 144 2HD ARG 11 1HD ARG 11 -4.340 -1.824 -9.408 145 HE ARG 11 HE ARG 11 -4.892 -3.592 -8.076 146 1HH1 ARG 11 1HH1 ARG 11 -7.776 -2.499 -9.710 147 2HH1 ARG 11 2HH1 ARG 11 -8.750 -3.812 -9.136 148 1HH2 ARG 11 1HH2 ARG 11 -6.170 -5.320 -7.321 149 2HH2 ARG 11 2HH2 ARG 11 -7.838 -5.412 -7.780 150 H TRP 12 H TRP 12 -7.460 0.517 -6.864 151 HA TRP 12 HA TRP 12 -10.061 -0.213 -7.660 152 1HB TRP 12 2HB TRP 12 -8.848 -1.321 -5.819 153 2HB TRP 12 1HB TRP 12 -8.986 0.147 -4.854 154 HD1 TRP 12 HD TRP 12 -10.917 -2.927 -5.903 155 HE1 TRP 12 1HE TRP 12 -13.179 -2.970 -4.675 156 HE3 TRP 12 3HE TRP 12 -10.839 1.771 -3.884 157 HZ2 TRP 12 2HZ TRP 12 -14.726 -1.244 -3.065 158 HZ3 TRP 12 3HZ TRP 12 -12.750 2.496 -2.513 159 HH2 TRP 12 HH TRP 12 -14.652 1.019 -2.115 160 H CYS 13 H CYS 13 -8.855 2.520 -5.753 161 HA CYS 13 HA CYS 13 -11.376 3.624 -5.141 162 1HB CYS 13 2HB CYS 13 -9.088 4.167 -4.103 163 2HB CYS 13 1HB CYS 13 -8.861 5.246 -5.475 164 HG CYS 13 HG CYS 13 -10.465 6.865 -4.503 165 H GLN 14 H GLN 14 -9.083 4.284 -7.770 166 HA GLN 14 HA GLN 14 -10.514 6.375 -8.971 167 1HB GLN 14 2HB GLN 14 -8.136 5.709 -9.460 168 2HB GLN 14 1HB GLN 14 -8.771 4.367 -10.401 169 1HG GLN 14 2HG GLN 14 -9.958 6.896 -11.169 170 2HG GLN 14 1HG GLN 14 -8.201 6.905 -11.321 171 1HE2 GLN 14 1HE2 GLN 14 -8.298 6.981 -13.560 172 2HE2 GLN 14 2HE2 GLN 14 -8.754 5.612 -14.511 173 H GLU 15 H GLU 15 -10.672 2.875 -9.437 174 HA GLU 15 HA GLU 15 -12.471 2.926 -11.620 175 1HB GLU 15 2HB GLU 15 -11.076 0.965 -10.979 176 2HB GLU 15 1HB GLU 15 -12.098 0.738 -9.567 177 1HG GLU 15 2HG GLU 15 -13.191 -0.691 -10.895 178 2HG GLU 15 1HG GLU 15 -13.964 0.769 -11.511 179 H GLN 16 H GLN 16 -12.958 2.571 -8.127 180 HA GLN 16 HA GLN 16 -15.797 2.361 -8.315 181 1HB GLN 16 2HB GLN 16 -13.796 2.230 -6.251 182 2HB GLN 16 1HB GLN 16 -15.110 3.278 -5.734 183 1HG GLN 16 2HG GLN 16 -15.530 1.029 -5.008 184 2HG GLN 16 1HG GLN 16 -16.712 1.485 -6.234 185 1HE2 GLN 16 1HE2 GLN 16 -16.845 -0.967 -6.131 186 2HE2 GLN 16 2HE2 GLN 16 -15.856 -1.831 -7.254 187 H THR 17 H THR 17 -13.538 4.999 -8.052 188 HA THR 17 HA THR 17 -15.645 6.919 -7.464 189 HB THR 17 HB THR 17 -12.686 7.351 -7.909 190 HG1 THR 17 1HG THR 17 -12.651 7.519 -5.628 191 1HG2 THR 17 1HG2 THR 17 -14.847 9.218 -7.586 192 2HG2 THR 17 2HG2 THR 17 -13.142 9.511 -7.919 193 3HG2 THR 17 3HG2 THR 17 -13.696 9.339 -6.256 194 H ALA 18 H ALA 18 -14.887 5.373 -10.162 195 HA ALA 18 HA ALA 18 -14.575 7.572 -11.995 196 1HB ALA 18 1HB ALA 18 -14.689 4.626 -12.190 197 2HB ALA 18 2HB ALA 18 -13.589 5.774 -12.954 198 3HB ALA 18 3HB ALA 18 -15.209 5.533 -13.611 199 H GLY 19 H GLY 19 -16.103 8.417 -13.387 200 1HA GLY 19 2HA GLY 19 -18.403 7.946 -14.363 201 2HA GLY 19 1HA GLY 19 -18.897 7.780 -12.684 202 H TYR 20 H TYR 20 -17.282 9.934 -11.683 203 HA TYR 20 HA TYR 20 -19.077 12.085 -12.153 204 1HB TYR 20 2HB TYR 20 -16.397 12.129 -10.748 205 2HB TYR 20 1HB TYR 20 -17.661 13.349 -10.617 206 HD1 TYR 20 1HD TYR 20 -19.511 13.049 -9.146 207 HD2 TYR 20 2HD TYR 20 -16.767 9.862 -9.782 208 HE1 TYR 20 1HE TYR 20 -20.503 11.825 -7.258 209 HE2 TYR 20 2HE TYR 20 -17.751 8.630 -7.896 210 HH TYR 20 HH TYR 20 -20.150 8.659 -6.730 211 HA PRO 21 HA PRO 21 -17.048 13.732 -15.769 212 1HB PRO 21 2HB PRO 21 -18.402 16.082 -15.908 213 2HB PRO 21 1HB PRO 21 -19.105 14.536 -16.398 214 1HG PRO 21 2HG PRO 21 -19.441 16.038 -13.829 215 2HG PRO 21 1HG PRO 21 -20.666 15.214 -14.812 216 1HD PRO 21 2HD PRO 21 -19.606 14.101 -12.588 217 2HD PRO 21 1HD PRO 21 -20.108 13.133 -13.988 218 H GLY 22 H GLY 22 -15.169 13.877 -14.071 219 1HA GLY 22 2HA GLY 22 -13.511 15.862 -14.407 220 2HA GLY 22 1HA GLY 22 -14.642 16.663 -13.326 221 H VAL 23 H VAL 23 -13.616 13.288 -13.198 222 HA VAL 23 HA VAL 23 -12.371 13.865 -10.592 223 HB VAL 23 HB VAL 23 -14.439 12.541 -10.395 224 1HG1 VAL 23 1HG1 VAL 23 -14.908 10.693 -11.589 225 2HG1 VAL 23 2HG1 VAL 23 -13.244 10.112 -11.539 226 3HG1 VAL 23 3HG1 VAL 23 -13.711 11.345 -12.710 227 1HG2 VAL 23 1HG2 VAL 23 -12.069 12.125 -9.133 228 2HG2 VAL 23 2HG2 VAL 23 -12.440 10.503 -9.717 229 3HG2 VAL 23 3HG2 VAL 23 -13.591 11.354 -8.686 230 H HIS 24 H HIS 24 -10.271 13.562 -10.540 231 HA HIS 24 HA HIS 24 -9.062 11.564 -12.336 232 1HB HIS 24 2HB HIS 24 -8.619 14.089 -12.781 233 2HB HIS 24 1HB HIS 24 -7.567 13.987 -11.374 234 HD1 HIS 24 1HD HIS 24 -8.016 12.098 -14.654 235 HD2 HIS 24 2HD HIS 24 -5.033 13.333 -12.039 236 HE1 HIS 24 1HE HIS 24 -5.851 11.399 -15.726 237 HE2 HIS 24 2HE HIS 24 -4.062 12.105 -14.098 238 H VAL 25 H VAL 25 -9.597 10.241 -10.345 239 HA VAL 25 HA VAL 25 -8.083 10.641 -7.965 240 HB VAL 25 HB VAL 25 -9.332 8.057 -8.896 241 1HG1 VAL 25 1HG1 VAL 25 -7.704 8.244 -6.870 242 2HG1 VAL 25 2HG1 VAL 25 -9.199 7.323 -6.715 243 3HG1 VAL 25 3HG1 VAL 25 -9.098 8.956 -6.057 244 1HG2 VAL 25 1HG2 VAL 25 -10.908 9.555 -6.996 245 2HG2 VAL 25 2HG2 VAL 25 -11.374 8.873 -8.554 246 3HG2 VAL 25 3HG2 VAL 25 -10.651 10.480 -8.475 247 H SER 26 H SER 26 -5.906 10.782 -8.434 248 HA SER 26 HA SER 26 -4.596 8.242 -8.954 249 1HB SER 26 2HB SER 26 -3.894 10.691 -10.586 250 2HB SER 26 1HB SER 26 -3.169 9.088 -10.718 251 HG SER 26 HG SER 26 -5.297 8.334 -11.314 252 H ASP 27 H ASP 27 -4.947 10.337 -6.794 253 HA ASP 27 HA ASP 27 -2.116 10.476 -6.063 254 1HB ASP 27 2HB ASP 27 -4.020 12.798 -5.696 255 2HB ASP 27 1HB ASP 27 -2.306 12.761 -5.295 256 H LEU 28 H LEU 28 -1.703 10.214 -3.887 257 HA LEU 28 HA LEU 28 -3.999 9.349 -2.292 258 1HB LEU 28 2HB LEU 28 -1.554 8.190 -2.715 259 2HB LEU 28 1HB LEU 28 -1.314 8.980 -1.167 260 HG LEU 28 HG LEU 28 -3.791 7.386 -1.433 261 1HD1 LEU 28 1HD1 LEU 28 -1.303 5.863 -0.859 262 2HD1 LEU 28 2HD1 LEU 28 -1.749 6.153 -2.540 263 3HD1 LEU 28 3HD1 LEU 28 -2.859 5.301 -1.469 264 1HD2 LEU 28 1HD2 LEU 28 -3.042 8.591 0.628 265 2HD2 LEU 28 2HD2 LEU 28 -1.692 7.461 0.724 266 3HD2 LEU 28 3HD2 LEU 28 -3.347 6.869 0.849 267 H SER 29 H SER 29 -3.678 12.123 -2.646 268 HA SER 29 HA SER 29 -3.731 12.981 0.062 269 1HB SER 29 2HB SER 29 -1.265 13.502 -1.550 270 2HB SER 29 1HB SER 29 -1.821 14.732 -0.416 271 HG SER 29 HG SER 29 -0.321 13.173 0.473 272 H SER 30 H SER 30 -2.601 14.774 -2.787 273 HA SER 30 HA SER 30 -4.291 16.948 -2.441 274 1HB SER 30 2HB SER 30 -3.084 15.909 -5.016 275 2HB SER 30 1HB SER 30 -3.749 17.526 -4.781 276 HG SER 30 HG SER 30 -1.549 16.400 -3.383 277 H SER 31 H SER 31 -4.793 13.987 -4.290 278 HA SER 31 HA SER 31 -7.080 14.684 -5.695 279 1HB SER 31 2HB SER 31 -5.748 12.210 -4.914 280 2HB SER 31 1HB SER 31 -7.496 12.023 -5.051 281 HG SER 31 HG SER 31 -5.609 12.459 -7.002 282 H TRP 32 H TRP 32 -6.699 14.064 -2.313 283 HA TRP 32 HA TRP 32 -9.608 13.901 -1.950 284 1HB TRP 32 2HB TRP 32 -7.471 13.489 0.145 285 2HB TRP 32 1HB TRP 32 -9.174 13.057 0.254 286 HD1 TRP 32 HD TRP 32 -6.284 12.140 -2.189 287 HE1 TRP 32 1HE TRP 32 -6.409 9.609 -2.634 288 HE3 TRP 32 3HE TRP 32 -10.356 11.011 0.687 289 HZ2 TRP 32 2HZ TRP 32 -8.020 7.423 -1.865 290 HZ3 TRP 32 3HZ TRP 32 -11.125 8.676 0.779 291 HH2 TRP 32 HH TRP 32 -9.980 6.919 -0.473 292 H ALA 33 H ALA 33 -7.730 16.339 -2.432 293 HA ALA 33 HA ALA 33 -7.722 17.950 -0.152 294 1HB ALA 33 1HB ALA 33 -8.027 19.006 -2.949 295 2HB ALA 33 2HB ALA 33 -6.511 18.338 -2.343 296 3HB ALA 33 3HB ALA 33 -7.220 19.759 -1.575 297 H ASP 34 H ASP 34 -10.071 17.937 -2.845 298 HA ASP 34 HA ASP 34 -11.875 19.608 -1.304 299 1HB ASP 34 2HB ASP 34 -13.320 19.428 -3.375 300 2HB ASP 34 1HB ASP 34 -11.743 20.177 -3.612 301 H GLY 35 H GLY 35 -11.213 16.521 -0.947 302 1HA GLY 35 2HA GLY 35 -12.359 14.763 -0.022 303 2HA GLY 35 1HA GLY 35 -13.695 15.873 0.238 304 H LEU 36 H LEU 36 -12.355 15.212 -2.930 305 HA LEU 36 HA LEU 36 -14.925 14.455 -3.928 306 1HB LEU 36 2HB LEU 36 -12.289 15.065 -5.020 307 2HB LEU 36 1HB LEU 36 -13.086 13.759 -5.877 308 HG LEU 36 HG LEU 36 -13.466 16.026 -6.853 309 1HD1 LEU 36 1HD1 LEU 36 -16.051 14.854 -5.886 310 2HD1 LEU 36 2HD1 LEU 36 -15.026 14.012 -7.047 311 3HD1 LEU 36 3HD1 LEU 36 -15.687 15.600 -7.442 312 1HD2 LEU 36 1HD2 LEU 36 -13.932 16.760 -4.222 313 2HD2 LEU 36 2HD2 LEU 36 -15.535 16.767 -4.960 314 3HD2 LEU 36 3HD2 LEU 36 -14.239 17.740 -5.657 315 H ALA 37 H ALA 37 -12.014 12.748 -2.976 316 HA ALA 37 HA ALA 37 -12.715 10.231 -4.081 317 1HB ALA 37 1HB ALA 37 -10.496 10.234 -3.628 318 2HB ALA 37 2HB ALA 37 -11.054 9.517 -2.117 319 3HB ALA 37 3HB ALA 37 -10.677 11.239 -2.190 320 H LEU 38 H LEU 38 -13.046 11.596 -0.815 321 HA LEU 38 HA LEU 38 -14.257 9.288 0.303 322 1HB LEU 38 2HB LEU 38 -14.425 12.153 1.240 323 2HB LEU 38 1HB LEU 38 -14.811 10.732 2.193 324 HG LEU 38 HG LEU 38 -12.163 10.386 1.251 325 1HD1 LEU 38 1HD1 LEU 38 -12.726 13.148 2.297 326 2HD1 LEU 38 2HD1 LEU 38 -11.885 12.689 0.816 327 3HD1 LEU 38 3HD1 LEU 38 -11.133 12.395 2.382 328 1HD2 LEU 38 1HD2 LEU 38 -11.837 10.938 3.845 329 2HD2 LEU 38 2HD2 LEU 38 -12.505 9.412 3.266 330 3HD2 LEU 38 3HD2 LEU 38 -13.584 10.692 3.826 331 H CYS 39 H CYS 39 -15.581 12.339 -0.944 332 HA CYS 39 HA CYS 39 -18.283 11.731 -0.379 333 1HB CYS 39 2HB CYS 39 -17.048 13.635 -2.374 334 2HB CYS 39 1HB CYS 39 -18.774 13.552 -2.037 335 HG CYS 39 HG CYS 39 -16.760 14.339 0.199 336 H ALA 40 H ALA 40 -16.295 11.308 -3.282 337 HA ALA 40 HA ALA 40 -18.276 10.450 -5.042 338 1HB ALA 40 1HB ALA 40 -15.338 9.870 -4.870 339 2HB ALA 40 2HB ALA 40 -16.194 10.931 -5.988 340 3HB ALA 40 3HB ALA 40 -16.345 9.181 -6.143 341 H LEU 41 H LEU 41 -16.267 8.550 -2.809 342 HA LEU 41 HA LEU 41 -17.281 6.025 -3.538 343 1HB LEU 41 2HB LEU 41 -15.949 7.039 -1.038 344 2HB LEU 41 1HB LEU 41 -16.449 5.367 -1.211 345 HG LEU 41 HG LEU 41 -14.659 6.605 -3.270 346 1HD1 LEU 41 1HD1 LEU 41 -12.785 6.484 -2.018 347 2HD1 LEU 41 2HD1 LEU 41 -13.381 5.131 -1.057 348 3HD1 LEU 41 3HD1 LEU 41 -13.917 6.773 -0.697 349 1HD2 LEU 41 1HD2 LEU 41 -14.460 3.816 -2.266 350 2HD2 LEU 41 2HD2 LEU 41 -14.212 4.456 -3.891 351 3HD2 LEU 41 3HD2 LEU 41 -15.848 4.243 -3.267 352 H VAL 42 H VAL 42 -18.132 8.171 -0.826 353 HA VAL 42 HA VAL 42 -20.124 6.570 0.294 354 HB VAL 42 HB VAL 42 -20.127 9.589 0.264 355 1HG1 VAL 42 1HG1 VAL 42 -22.175 8.597 1.120 356 2HG1 VAL 42 2HG1 VAL 42 -21.257 9.345 2.427 357 3HG1 VAL 42 3HG1 VAL 42 -21.243 7.592 2.229 358 1HG2 VAL 42 1HG2 VAL 42 -18.980 8.333 2.615 359 2HG2 VAL 42 2HG2 VAL 42 -18.355 9.646 1.618 360 3HG2 VAL 42 3HG2 VAL 42 -18.063 7.971 1.152 361 H TYR 43 H TYR 43 -20.299 8.958 -2.305 362 HA TYR 43 HA TYR 43 -23.128 8.930 -2.539 363 1HB TYR 43 2HB TYR 43 -21.756 10.775 -3.405 364 2HB TYR 43 1HB TYR 43 -21.032 9.688 -4.583 365 HD1 TYR 43 1HD TYR 43 -21.970 9.510 -6.702 366 HD2 TYR 43 2HD TYR 43 -24.346 11.024 -3.513 367 HE1 TYR 43 1HE TYR 43 -23.765 10.038 -8.298 368 HE2 TYR 43 2HE TYR 43 -26.146 11.557 -5.100 369 HH TYR 43 HH TYR 43 -26.227 12.074 -7.688 370 H ARG 44 H ARG 44 -20.537 7.141 -4.145 371 HA ARG 44 HA ARG 44 -22.124 5.866 -6.083 372 1HB ARG 44 2HB ARG 44 -19.515 5.997 -5.766 373 2HB ARG 44 1HB ARG 44 -19.751 4.491 -4.890 374 1HG ARG 44 2HG ARG 44 -19.445 3.578 -6.915 375 2HG ARG 44 1HG ARG 44 -21.155 3.960 -7.122 376 1HD ARG 44 2HD ARG 44 -20.359 6.211 -8.028 377 2HD ARG 44 1HD ARG 44 -18.762 5.470 -8.128 378 HE ARG 44 HE ARG 44 -19.468 4.259 -9.941 379 1HH1 ARG 44 1HH1 ARG 44 -22.245 5.650 -8.351 380 2HH1 ARG 44 2HH1 ARG 44 -23.345 5.211 -9.613 381 1HH2 ARG 44 1HH2 ARG 44 -20.914 3.678 -11.603 382 2HH2 ARG 44 2HH2 ARG 44 -22.591 4.090 -11.458 383 H LEU 45 H LEU 45 -21.538 5.176 -2.714 384 HA LEU 45 HA LEU 45 -22.881 2.593 -2.901 385 1HB LEU 45 2HB LEU 45 -21.878 3.887 -0.381 386 2HB LEU 45 1HB LEU 45 -22.151 2.184 -0.695 387 HG LEU 45 HG LEU 45 -20.099 3.577 -2.339 388 1HD1 LEU 45 1HD1 LEU 45 -20.038 3.647 0.501 389 2HD1 LEU 45 2HD1 LEU 45 -18.814 4.187 -0.645 390 3HD1 LEU 45 3HD1 LEU 45 -18.797 2.525 -0.058 391 1HD2 LEU 45 1HD2 LEU 45 -20.958 1.043 -2.262 392 2HD2 LEU 45 2HD2 LEU 45 -19.673 0.950 -1.058 393 3HD2 LEU 45 3HD2 LEU 45 -19.308 1.488 -2.697 394 H GLN 46 H GLN 46 -23.240 5.663 -1.139 395 HA GLN 46 HA GLN 46 -26.110 5.061 -0.863 396 1HB GLN 46 2HB GLN 46 -26.051 6.467 1.208 397 2HB GLN 46 1HB GLN 46 -25.136 4.971 1.330 398 1HG GLN 46 2HG GLN 46 -23.078 6.090 1.170 399 2HG GLN 46 1HG GLN 46 -23.840 7.579 0.614 400 1HE2 GLN 46 1HE2 GLN 46 -25.456 8.505 2.205 401 2HE2 GLN 46 2HE2 GLN 46 -24.980 8.515 3.865 402 HA PRO 47 HA PRO 47 -25.447 8.960 -3.361 403 1HB PRO 47 2HB PRO 47 -27.151 8.264 -5.367 404 2HB PRO 47 1HB PRO 47 -25.432 7.856 -5.372 405 1HG PRO 47 2HG PRO 47 -27.780 6.158 -4.638 406 2HG PRO 47 1HG PRO 47 -26.334 5.729 -5.569 407 1HD PRO 47 2HD PRO 47 -26.646 5.065 -2.961 408 2HD PRO 47 1HD PRO 47 -25.059 5.407 -3.676 409 H GLY 48 H GLY 48 -28.248 7.116 -2.347 410 1HA GLY 48 2HA GLY 48 -30.165 9.185 -2.740 411 2HA GLY 48 1HA GLY 48 -30.376 7.752 -1.746 412 H LEU 49 H LEU 49 -27.730 8.726 -0.387 413 HA LEU 49 HA LEU 49 -28.975 10.820 1.268 414 1HB LEU 49 2HB LEU 49 -27.443 8.412 2.247 415 2HB LEU 49 1HB LEU 49 -27.945 9.753 3.258 416 HG LEU 49 HG LEU 49 -29.793 7.868 1.794 417 1HD1 LEU 49 1HD1 LEU 49 -30.131 6.743 3.755 418 2HD1 LEU 49 2HD1 LEU 49 -29.660 8.118 4.754 419 3HD1 LEU 49 3HD1 LEU 49 -28.428 7.165 3.927 420 1HD2 LEU 49 1HD2 LEU 49 -30.216 10.413 3.249 421 2HD2 LEU 49 2HD2 LEU 49 -31.372 9.113 3.541 422 3HD2 LEU 49 3HD2 LEU 49 -31.113 9.711 1.902 423 H LEU 50 H LEU 50 -27.070 11.127 -0.871 424 HA LEU 50 HA LEU 50 -25.007 12.528 0.620 425 1HB LEU 50 2HB LEU 50 -24.498 10.026 -0.565 426 2HB LEU 50 1HB LEU 50 -23.748 11.214 -1.609 427 HG LEU 50 HG LEU 50 -22.212 10.302 0.098 428 1HD1 LEU 50 1HD1 LEU 50 -22.562 13.150 0.853 429 2HD1 LEU 50 2HD1 LEU 50 -22.281 12.769 -0.846 430 3HD1 LEU 50 3HD1 LEU 50 -21.110 12.273 0.374 431 1HD2 LEU 50 1HD2 LEU 50 -23.997 11.728 2.066 432 2HD2 LEU 50 2HD2 LEU 50 -22.475 10.919 2.429 433 3HD2 LEU 50 3HD2 LEU 50 -23.864 9.980 1.886 434 H GLU 51 H GLU 51 -23.802 14.049 -0.691 435 HA GLU 51 HA GLU 51 -24.845 14.643 -3.337 436 1HB GLU 51 2HB GLU 51 -25.223 16.415 -0.941 437 2HB GLU 51 1HB GLU 51 -25.084 17.111 -2.550 438 1HG GLU 51 2HG GLU 51 -27.011 15.863 -3.300 439 2HG GLU 51 1HG GLU 51 -27.122 15.051 -1.738 440 HA PRO 52 HA PRO 52 -20.226 15.168 -2.674 441 1HB PRO 52 2HB PRO 52 -19.710 14.241 -5.240 442 2HB PRO 52 1HB PRO 52 -19.667 13.259 -3.774 443 1HG PRO 52 2HG PRO 52 -21.849 13.558 -5.792 444 2HG PRO 52 1HG PRO 52 -21.295 12.102 -4.944 445 1HD PRO 52 2HD PRO 52 -23.532 13.365 -4.204 446 2HD PRO 52 1HD PRO 52 -22.440 12.656 -2.994 447 H SER 53 H SER 53 -22.097 15.762 -5.653 448 HA SER 53 HA SER 53 -20.472 17.699 -6.780 449 1HB SER 53 2HB SER 53 -22.834 18.577 -7.646 450 2HB SER 53 1HB SER 53 -22.135 17.066 -8.231 451 HG SER 53 HG SER 53 -24.235 17.477 -6.411 452 H GLU 54 H GLU 54 -22.785 17.992 -4.169 453 HA GLU 54 HA GLU 54 -22.903 20.837 -4.170 454 1HB GLU 54 2HB GLU 54 -24.642 19.400 -3.158 455 2HB GLU 54 1HB GLU 54 -23.494 18.907 -1.923 456 1HG GLU 54 2HG GLU 54 -23.343 21.212 -1.136 457 2HG GLU 54 1HG GLU 54 -24.487 21.711 -2.381 458 H LEU 55 H LEU 55 -21.148 18.504 -2.132 459 HA LEU 55 HA LEU 55 -19.679 20.621 -0.822 460 1HB LEU 55 2HB LEU 55 -19.658 17.626 -0.591 461 2HB LEU 55 1HB LEU 55 -18.493 18.628 0.251 462 HG LEU 55 HG LEU 55 -20.248 18.088 1.782 463 1HD1 LEU 55 1HD1 LEU 55 -19.335 20.419 1.771 464 2HD1 LEU 55 2HD1 LEU 55 -20.939 20.253 2.486 465 3HD1 LEU 55 3HD1 LEU 55 -20.762 20.906 0.857 466 1HD2 LEU 55 1HD2 LEU 55 -21.917 17.613 -0.072 467 2HD2 LEU 55 2HD2 LEU 55 -22.252 19.344 -0.075 468 3HD2 LEU 55 3HD2 LEU 55 -22.548 18.392 1.379 469 H GLN 56 H GLN 56 -19.315 18.931 -3.698 470 HA GLN 56 HA GLN 56 -16.571 18.438 -3.810 471 1HB GLN 56 2HB GLN 56 -18.140 17.552 -5.452 472 2HB GLN 56 1HB GLN 56 -18.472 19.175 -6.036 473 1HG GLN 56 2HG GLN 56 -15.722 18.939 -6.241 474 2HG GLN 56 1HG GLN 56 -16.331 17.355 -6.721 475 1HE2 GLN 56 1HE2 GLN 56 -15.065 18.725 -8.597 476 2HE2 GLN 56 2HE2 GLN 56 -16.160 19.381 -9.758 477 H GLY 57 H GLY 57 -18.384 21.390 -4.469 478 1HA GLY 57 2HA GLY 57 -15.798 22.757 -4.888 479 2HA GLY 57 1HA GLY 57 -17.300 23.267 -5.642 480 H LEU 58 H LEU 58 -18.768 22.752 -3.072 481 HA LEU 58 HA LEU 58 -18.874 25.311 -2.077 482 1HB LEU 58 2HB LEU 58 -19.837 22.697 -1.266 483 2HB LEU 58 1HB LEU 58 -19.479 23.712 0.119 484 HG LEU 58 HG LEU 58 -20.894 25.498 -1.042 485 1HD1 LEU 58 1HD1 LEU 58 -22.075 25.040 -2.889 486 2HD1 LEU 58 2HD1 LEU 58 -22.437 23.394 -2.371 487 3HD1 LEU 58 3HD1 LEU 58 -20.886 23.758 -3.128 488 1HD2 LEU 58 1HD2 LEU 58 -23.039 24.066 -0.376 489 2HD2 LEU 58 2HD2 LEU 58 -21.931 24.730 0.826 490 3HD2 LEU 58 3HD2 LEU 58 -21.796 23.040 0.340 491 H GLY 59 H GLY 59 -16.704 22.706 -1.159 492 1HA GLY 59 2HA GLY 59 -14.657 24.302 -0.243 493 2HA GLY 59 1HA GLY 59 -15.674 24.025 1.162 494 H ALA 60 H ALA 60 -12.922 23.182 0.662 495 HA ALA 60 HA ALA 60 -12.960 20.351 0.184 496 1HB ALA 60 1HB ALA 60 -10.917 22.393 0.796 497 2HB ALA 60 2HB ALA 60 -10.904 21.095 -0.397 498 3HB ALA 60 3HB ALA 60 -10.550 20.741 1.295 499 H LEU 61 H LEU 61 -12.140 22.301 3.059 500 HA LEU 61 HA LEU 61 -12.047 20.174 4.869 501 1HB LEU 61 2HB LEU 61 -12.881 23.001 5.508 502 2HB LEU 61 1HB LEU 61 -12.181 21.830 6.611 503 HG LEU 61 HG LEU 61 -10.545 22.513 4.243 504 1HD1 LEU 61 1HD1 LEU 61 -9.696 24.544 5.553 505 2HD1 LEU 61 2HD1 LEU 61 -11.253 24.489 6.382 506 3HD1 LEU 61 3HD1 LEU 61 -11.192 24.719 4.634 507 1HD2 LEU 61 1HD2 LEU 61 -10.100 21.054 6.433 508 2HD2 LEU 61 2HD2 LEU 61 -9.554 22.623 7.028 509 3HD2 LEU 61 3HD2 LEU 61 -8.819 21.921 5.586 510 H GLU 62 H GLU 62 -14.737 22.165 3.782 511 HA GLU 62 HA GLU 62 -16.630 21.221 5.668 512 1HB GLU 62 2HB GLU 62 -16.646 22.879 3.249 513 2HB GLU 62 1HB GLU 62 -18.123 21.952 3.474 514 1HG GLU 62 2HG GLU 62 -18.467 24.044 4.503 515 2HG GLU 62 1HG GLU 62 -18.232 22.876 5.801 516 H ALA 63 H ALA 63 -15.732 20.182 2.411 517 HA ALA 63 HA ALA 63 -17.778 18.275 2.066 518 1HB ALA 63 1HB ALA 63 -16.278 19.205 0.277 519 2HB ALA 63 2HB ALA 63 -16.520 17.459 0.222 520 3HB ALA 63 3HB ALA 63 -15.020 18.122 0.869 521 H THR 64 H THR 64 -14.504 18.009 3.392 522 HA THR 64 HA THR 64 -14.530 15.212 3.762 523 HB THR 64 HB THR 64 -12.977 16.874 5.665 524 HG1 THR 64 1HG THR 64 -12.628 16.991 2.858 525 1HG2 THR 64 1HG2 THR 64 -12.277 14.622 3.803 526 2HG2 THR 64 2HG2 THR 64 -12.447 14.551 5.556 527 3HG2 THR 64 3HG2 THR 64 -11.119 15.459 4.835 528 H ALA 65 H ALA 65 -15.273 17.896 5.966 529 HA ALA 65 HA ALA 65 -15.854 16.283 8.210 530 1HB ALA 65 1HB ALA 65 -15.327 18.623 8.474 531 2HB ALA 65 2HB ALA 65 -16.939 18.311 9.115 532 3HB ALA 65 3HB ALA 65 -16.751 19.083 7.542 533 H TRP 66 H TRP 66 -17.921 17.685 5.687 534 HA TRP 66 HA TRP 66 -20.376 16.839 6.789 535 1HB TRP 66 2HB TRP 66 -19.797 18.510 4.813 536 2HB TRP 66 1HB TRP 66 -20.060 17.072 3.831 537 HD1 TRP 66 HD TRP 66 -21.912 19.568 6.051 538 HE1 TRP 66 1HE TRP 66 -24.444 19.285 5.679 539 HE3 TRP 66 3HE TRP 66 -21.845 15.356 3.152 540 HZ2 TRP 66 2HZ TRP 66 -26.181 17.513 4.335 541 HZ3 TRP 66 3HZ TRP 66 -23.985 14.432 2.366 542 HH2 TRP 66 HH TRP 66 -26.108 15.489 2.946 543 H ALA 67 H ALA 67 -18.340 15.412 4.242 544 HA ALA 67 HA ALA 67 -19.970 13.154 3.796 545 1HB ALA 67 1HB ALA 67 -17.666 12.213 2.944 546 2HB ALA 67 2HB ALA 67 -17.162 13.892 3.136 547 3HB ALA 67 3HB ALA 67 -18.506 13.490 2.067 548 H LEU 68 H LEU 68 -17.245 13.728 5.969 549 HA LEU 68 HA LEU 68 -16.940 11.063 6.844 550 1HB LEU 68 2HB LEU 68 -15.278 12.914 7.133 551 2HB LEU 68 1HB LEU 68 -16.306 13.573 8.391 552 HG LEU 68 HG LEU 68 -16.022 11.117 9.386 553 1HD1 LEU 68 1HD1 LEU 68 -13.451 10.699 8.996 554 2HD1 LEU 68 2HD1 LEU 68 -13.796 11.466 7.446 555 3HD1 LEU 68 3HD1 LEU 68 -14.666 10.007 7.922 556 1HD2 LEU 68 1HD2 LEU 68 -15.231 13.566 10.114 557 2HD2 LEU 68 2HD2 LEU 68 -13.655 12.834 9.819 558 3HD2 LEU 68 3HD2 LEU 68 -14.761 12.106 10.985 559 H LYS 69 H LYS 69 -18.791 13.792 8.162 560 HA LYS 69 HA LYS 69 -19.724 12.445 10.458 561 1HB LYS 69 2HB LYS 69 -19.881 15.017 9.478 562 2HB LYS 69 1HB LYS 69 -21.548 14.469 9.389 563 1HG LYS 69 2HG LYS 69 -20.249 13.802 11.913 564 2HG LYS 69 1HG LYS 69 -20.318 15.536 11.593 565 1HD LYS 69 2HD LYS 69 -22.838 14.550 10.883 566 2HD LYS 69 1HD LYS 69 -22.423 13.730 12.389 567 1HE LYS 69 2HE LYS 69 -22.014 15.853 13.474 568 2HE LYS 69 1HE LYS 69 -22.295 16.713 11.962 569 1HZ LYS 69 1HZ LYS 69 -24.356 16.911 12.797 570 2HZ LYS 69 2HZ LYS 69 -24.205 15.579 13.827 571 3HZ LYS 69 3HZ LYS 69 -24.567 15.344 12.192 572 H VAL 70 H VAL 70 -21.235 12.993 7.282 573 HA VAL 70 HA VAL 70 -23.612 11.567 7.899 574 HB VAL 70 HB VAL 70 -24.040 11.582 5.471 575 1HG1 VAL 70 1HG1 VAL 70 -23.226 14.055 6.917 576 2HG1 VAL 70 2HG1 VAL 70 -24.825 13.529 6.392 577 3HG1 VAL 70 3HG1 VAL 70 -23.678 14.173 5.217 578 1HG2 VAL 70 1HG2 VAL 70 -21.167 12.376 5.390 579 2HG2 VAL 70 2HG2 VAL 70 -22.264 13.009 4.164 580 3HG2 VAL 70 3HG2 VAL 70 -22.061 11.268 4.350 581 H ALA 71 H ALA 71 -20.603 10.665 6.249 582 HA ALA 71 HA ALA 71 -21.319 8.115 5.400 583 1HB ALA 71 1HB ALA 71 -19.280 8.918 4.594 584 2HB ALA 71 2HB ALA 71 -18.814 7.627 5.702 585 3HB ALA 71 3HB ALA 71 -18.691 9.312 6.209 586 H GLU 72 H GLU 72 -19.943 9.160 8.494 587 HA GLU 72 HA GLU 72 -19.895 6.558 9.639 588 1HB GLU 72 2HB GLU 72 -19.373 7.658 11.721 589 2HB GLU 72 1HB GLU 72 -18.474 8.439 10.427 590 1HG GLU 72 2HG GLU 72 -19.887 10.326 10.455 591 2HG GLU 72 1HG GLU 72 -21.082 9.509 11.463 592 H ASN 73 H ASN 73 -22.211 9.197 9.607 593 HA ASN 73 HA ASN 73 -23.961 8.112 11.555 594 1HB ASN 73 2HB ASN 73 -23.964 10.373 9.686 595 2HB ASN 73 1HB ASN 73 -25.563 9.715 10.018 596 1HD2 ASN 73 1HD2 ASN 73 -25.853 11.874 10.956 597 2HD2 ASN 73 2HD2 ASN 73 -25.391 12.121 12.603 598 H GLU 74 H GLU 74 -23.865 7.938 8.023 599 HA GLU 74 HA GLU 74 -26.310 6.427 7.874 600 1HB GLU 74 2HB GLU 74 -24.546 7.781 6.035 601 2HB GLU 74 1HB GLU 74 -24.945 6.176 5.435 602 1HG GLU 74 2HG GLU 74 -26.583 7.561 4.536 603 2HG GLU 74 1HG GLU 74 -27.371 6.785 5.909 604 H LEU 75 H LEU 75 -22.850 5.692 7.537 605 HA LEU 75 HA LEU 75 -23.455 2.881 7.107 606 1HB LEU 75 2HB LEU 75 -21.516 4.436 6.096 607 2HB LEU 75 1HB LEU 75 -20.658 3.773 7.475 608 HG LEU 75 HG LEU 75 -20.284 2.495 5.392 609 1HD1 LEU 75 1HD1 LEU 75 -20.160 1.462 7.660 610 2HD1 LEU 75 2HD1 LEU 75 -20.527 0.329 6.360 611 3HD1 LEU 75 3HD1 LEU 75 -21.811 0.890 7.429 612 1HD2 LEU 75 1HD2 LEU 75 -22.626 2.899 4.528 613 2HD2 LEU 75 2HD2 LEU 75 -23.151 1.618 5.619 614 3HD2 LEU 75 3HD2 LEU 75 -21.999 1.263 4.333 615 H GLY 76 H GLY 76 -22.147 4.959 9.623 616 1HA GLY 76 2HA GLY 76 -22.242 4.449 11.926 617 2HA GLY 76 1HA GLY 76 -22.456 2.755 11.516 618 H ILE 77 H ILE 77 -19.942 4.639 10.026 619 HA ILE 77 HA ILE 77 -17.950 2.977 11.389 620 HB ILE 77 HB ILE 77 -17.532 4.768 8.994 621 1HG1 ILE 77 2HG1 ILE 77 -17.785 1.777 8.858 622 2HG1 ILE 77 1HG1 ILE 77 -19.220 2.795 8.790 623 1HG2 ILE 77 1HG2 ILE 77 -15.627 2.977 8.738 624 2HG2 ILE 77 2HG2 ILE 77 -15.853 2.808 10.478 625 3HG2 ILE 77 3HG2 ILE 77 -15.422 4.375 9.793 626 1HD1 ILE 77 1HD1 ILE 77 -17.561 2.050 6.682 627 2HD1 ILE 77 2HD1 ILE 77 -17.225 3.758 6.966 628 3HD1 ILE 77 3HD1 ILE 77 -18.876 3.224 6.650 629 H THR 78 H THR 78 -16.696 3.791 12.931 630 HA THR 78 HA THR 78 -16.898 6.535 13.698 631 HB THR 78 HB THR 78 -16.626 4.777 15.370 632 HG1 THR 78 1HG THR 78 -14.317 6.416 15.319 633 1HG2 THR 78 1HG2 THR 78 -13.877 4.375 14.218 634 2HG2 THR 78 2HG2 THR 78 -15.207 3.219 14.172 635 3HG2 THR 78 3HG2 THR 78 -14.483 3.669 15.715 636 HA PRO 79 HA PRO 79 -13.752 8.283 11.095 637 1HB PRO 79 2HB PRO 79 -13.310 10.092 13.415 638 2HB PRO 79 1HB PRO 79 -13.637 10.489 11.725 639 1HG PRO 79 2HG PRO 79 -15.531 10.762 13.576 640 2HG PRO 79 1HG PRO 79 -15.922 10.165 11.952 641 1HD PRO 79 2HD PRO 79 -15.657 8.655 14.516 642 2HD PRO 79 1HD PRO 79 -16.793 8.413 13.175 643 H VAL 80 H VAL 80 -11.559 8.151 10.858 644 HA VAL 80 HA VAL 80 -10.046 7.115 13.166 645 HB VAL 80 HB VAL 80 -9.477 6.525 10.260 646 1HG1 VAL 80 1HG1 VAL 80 -8.187 5.825 12.836 647 2HG1 VAL 80 2HG1 VAL 80 -7.472 6.117 11.250 648 3HG1 VAL 80 3HG1 VAL 80 -8.253 4.574 11.593 649 1HG2 VAL 80 1HG2 VAL 80 -10.584 4.527 12.196 650 2HG2 VAL 80 2HG2 VAL 80 -10.590 4.496 10.433 651 3HG2 VAL 80 3HG2 VAL 80 -11.663 5.595 11.299 652 H VAL 81 H VAL 81 -10.126 9.382 10.522 653 HA VAL 81 HA VAL 81 -7.703 10.646 11.594 654 HB VAL 81 HB VAL 81 -8.244 10.403 8.634 655 1HG1 VAL 81 1HG1 VAL 81 -5.932 11.477 10.239 656 2HG1 VAL 81 2HG1 VAL 81 -6.974 12.355 9.118 657 3HG1 VAL 81 3HG1 VAL 81 -5.848 11.142 8.509 658 1HG2 VAL 81 1HG2 VAL 81 -6.652 8.683 8.482 659 2HG2 VAL 81 2HG2 VAL 81 -7.678 8.229 9.843 660 3HG2 VAL 81 3HG2 VAL 81 -6.090 8.941 10.133 661 H SER 82 H SER 82 -7.505 12.929 11.026 662 HA SER 82 HA SER 82 -10.099 14.221 11.075 663 1HB SER 82 2HB SER 82 -7.840 14.785 12.405 664 2HB SER 82 1HB SER 82 -7.601 15.833 11.006 665 HG SER 82 HG SER 82 -8.724 16.951 12.602 666 H ALA 83 H ALA 83 -10.646 16.004 9.681 667 HA ALA 83 HA ALA 83 -10.315 15.428 6.951 668 1HB ALA 83 1HB ALA 83 -12.272 16.572 7.524 669 2HB ALA 83 2HB ALA 83 -11.307 17.768 6.659 670 3HB ALA 83 3HB ALA 83 -11.393 17.811 8.419 671 H GLN 84 H GLN 84 -8.794 17.872 9.022 672 HA GLN 84 HA GLN 84 -7.380 19.277 7.090 673 1HB GLN 84 2HB GLN 84 -6.941 18.744 9.999 674 2HB GLN 84 1HB GLN 84 -5.676 19.547 9.078 675 1HG GLN 84 2HG GLN 84 -8.432 20.603 8.829 676 2HG GLN 84 1HG GLN 84 -7.578 20.881 10.347 677 1HE2 GLN 84 1HE2 GLN 84 -5.853 22.267 10.398 678 2HE2 GLN 84 2HE2 GLN 84 -5.415 23.284 9.071 679 H ALA 85 H ALA 85 -6.593 16.248 8.704 680 HA ALA 85 HA ALA 85 -3.940 16.037 7.719 681 1HB ALA 85 1HB ALA 85 -3.898 13.911 8.664 682 2HB ALA 85 2HB ALA 85 -5.628 13.667 8.431 683 3HB ALA 85 3HB ALA 85 -5.055 14.781 9.672 684 H VAL 86 H VAL 86 -7.051 14.756 6.593 685 HA VAL 86 HA VAL 86 -5.988 13.282 4.421 686 HB VAL 86 HB VAL 86 -8.774 14.422 4.620 687 1HG1 VAL 86 1HG1 VAL 86 -8.853 13.515 2.565 688 2HG1 VAL 86 2HG1 VAL 86 -8.988 11.989 3.440 689 3HG1 VAL 86 3HG1 VAL 86 -7.420 12.524 2.835 690 1HG2 VAL 86 1HG2 VAL 86 -9.095 11.912 5.469 691 2HG2 VAL 86 2HG2 VAL 86 -8.784 13.256 6.568 692 3HG2 VAL 86 3HG2 VAL 86 -7.462 12.199 6.072 693 H VAL 87 H VAL 87 -7.591 16.462 4.560 694 HA VAL 87 HA VAL 87 -7.331 17.055 1.823 695 HB VAL 87 HB VAL 87 -7.473 19.007 4.127 696 1HG1 VAL 87 1HG1 VAL 87 -7.154 20.520 2.512 697 2HG1 VAL 87 2HG1 VAL 87 -8.784 20.110 1.975 698 3HG1 VAL 87 3HG1 VAL 87 -7.388 19.330 1.231 699 1HG2 VAL 87 1HG2 VAL 87 -9.734 17.892 2.474 700 2HG2 VAL 87 2HG2 VAL 87 -9.857 18.979 3.858 701 3HG2 VAL 87 3HG2 VAL 87 -9.305 17.320 4.087 702 H ALA 88 H ALA 88 -5.189 17.587 4.564 703 HA ALA 88 HA ALA 88 -3.306 19.120 2.994 704 1HB ALA 88 1HB ALA 88 -1.967 19.181 5.036 705 2HB ALA 88 2HB ALA 88 -3.077 18.045 5.802 706 3HB ALA 88 3HB ALA 88 -3.636 19.656 5.349 707 H GLY 89 H GLY 89 -3.930 15.823 3.515 708 1HA GLY 89 2HA GLY 89 -2.816 13.928 2.855 709 2HA GLY 89 1HA GLY 89 -1.810 14.976 1.867 710 H SER 90 H SER 90 -2.027 15.390 5.319 711 HA SER 90 HA SER 90 0.803 14.671 5.532 712 1HB SER 90 2HB SER 90 -0.224 16.920 6.350 713 2HB SER 90 1HB SER 90 -0.782 15.972 7.728 714 HG SER 90 HG SER 90 1.626 16.997 7.318 715 H ASP 91 H ASP 91 -1.289 12.649 5.372 716 HA ASP 91 HA ASP 91 -0.467 11.048 7.605 717 1HB ASP 91 2HB ASP 91 -3.141 12.325 7.571 718 2HB ASP 91 1HB ASP 91 -3.106 10.616 7.993 719 HA PRO 92 HA PRO 92 -1.443 8.913 3.539 720 1HB PRO 92 2HB PRO 92 0.872 7.429 3.593 721 2HB PRO 92 1HB PRO 92 0.711 8.992 2.786 722 1HG PRO 92 2HG PRO 92 1.848 8.356 5.479 723 2HG PRO 92 1HG PRO 92 2.447 9.484 4.247 724 1HD PRO 92 2HD PRO 92 1.097 10.341 6.404 725 2HD PRO 92 1HD PRO 92 0.910 11.120 4.818 726 H LEU 93 H LEU 93 0.001 7.642 6.526 727 HA LEU 93 HA LEU 93 -0.759 4.974 6.231 728 1HB LEU 93 2HB LEU 93 -0.703 6.350 8.897 729 2HB LEU 93 1HB LEU 93 -0.264 4.698 8.510 730 HG LEU 93 HG LEU 93 1.521 6.217 7.019 731 1HD1 LEU 93 1HD1 LEU 93 1.055 7.477 9.712 732 2HD1 LEU 93 2HD1 LEU 93 0.993 8.254 8.130 733 3HD1 LEU 93 3HD1 LEU 93 2.533 7.686 8.775 734 1HD2 LEU 93 1HD2 LEU 93 3.129 5.493 8.864 735 2HD2 LEU 93 2HD2 LEU 93 2.223 4.225 8.036 736 3HD2 LEU 93 3HD2 LEU 93 1.723 4.765 9.639 737 H GLY 94 H GLY 94 -2.533 7.751 7.460 738 1HA GLY 94 2HA GLY 94 -4.746 6.239 8.457 739 2HA GLY 94 1HA GLY 94 -4.710 7.975 8.189 740 H LEU 95 H LEU 95 -4.076 7.912 5.418 741 HA LEU 95 HA LEU 95 -6.638 7.746 4.308 742 1HB LEU 95 2HB LEU 95 -4.018 8.491 3.453 743 2HB LEU 95 1HB LEU 95 -4.718 7.443 2.233 744 HG LEU 95 HG LEU 95 -6.711 9.330 2.964 745 1HD1 LEU 95 1HD1 LEU 95 -4.490 10.527 3.708 746 2HD1 LEU 95 2HD1 LEU 95 -5.760 11.403 2.853 747 3HD1 LEU 95 3HD1 LEU 95 -4.341 10.830 1.977 748 1HD2 LEU 95 1HD2 LEU 95 -6.557 8.247 0.808 749 2HD2 LEU 95 2HD2 LEU 95 -5.008 9.029 0.494 750 3HD2 LEU 95 3HD2 LEU 95 -6.479 9.997 0.602 751 H ILE 96 H ILE 96 -3.920 5.477 4.187 752 HA ILE 96 HA ILE 96 -5.172 3.613 2.457 753 HB ILE 96 HB ILE 96 -3.007 3.052 4.488 754 1HG1 ILE 96 2HG1 ILE 96 -2.431 4.939 2.986 755 2HG1 ILE 96 1HG1 ILE 96 -1.409 3.529 2.719 756 1HG2 ILE 96 1HG2 ILE 96 -2.491 1.430 2.405 757 2HG2 ILE 96 2HG2 ILE 96 -4.251 1.511 2.302 758 3HG2 ILE 96 3HG2 ILE 96 -3.477 0.958 3.788 759 1HD1 ILE 96 1HD1 ILE 96 -3.830 4.081 1.042 760 2HD1 ILE 96 2HD1 ILE 96 -2.472 3.011 0.697 761 3HD1 ILE 96 3HD1 ILE 96 -2.247 4.760 0.671 762 H ALA 97 H ALA 97 -4.834 3.752 5.993 763 HA ALA 97 HA ALA 97 -6.123 1.341 6.583 764 1HB ALA 97 1HB ALA 97 -4.825 3.123 8.073 765 2HB ALA 97 2HB ALA 97 -5.948 1.952 8.763 766 3HB ALA 97 3HB ALA 97 -6.476 3.607 8.460 767 H TYR 98 H TYR 98 -7.417 4.610 6.168 768 HA TYR 98 HA TYR 98 -10.086 3.946 6.869 769 1HB TYR 98 2HB TYR 98 -8.783 6.284 6.523 770 2HB TYR 98 1HB TYR 98 -9.633 6.188 4.985 771 HD1 TYR 98 1HD TYR 98 -10.320 5.746 8.633 772 HD2 TYR 98 2HD TYR 98 -11.739 7.123 4.866 773 HE1 TYR 98 1HE TYR 98 -12.359 6.593 9.717 774 HE2 TYR 98 2HE TYR 98 -13.782 7.972 5.940 775 HH TYR 98 HH TYR 98 -14.105 8.497 9.125 776 H LEU 99 H LEU 99 -8.447 4.356 3.741 777 HA LEU 99 HA LEU 99 -10.639 3.862 2.089 778 1HB LEU 99 2HB LEU 99 -8.135 4.584 1.604 779 2HB LEU 99 1HB LEU 99 -7.947 2.871 1.284 780 HG LEU 99 HG LEU 99 -10.136 4.415 -0.059 781 1HD1 LEU 99 1HD1 LEU 99 -8.782 5.292 -1.671 782 2HD1 LEU 99 2HD1 LEU 99 -7.522 4.082 -1.430 783 3HD1 LEU 99 3HD1 LEU 99 -7.702 5.410 -0.283 784 1HD2 LEU 99 1HD2 LEU 99 -10.092 2.683 -1.634 785 2HD2 LEU 99 2HD2 LEU 99 -9.908 1.872 -0.079 786 3HD2 LEU 99 3HD2 LEU 99 -8.501 2.128 -1.111 787 H SER 100 H SER 100 -8.320 1.622 3.546 788 HA SER 100 HA SER 100 -9.202 -0.714 2.263 789 1HB SER 100 2HB SER 100 -7.082 -0.377 3.657 790 2HB SER 100 1HB SER 100 -8.103 -0.639 5.071 791 HG SER 100 HG SER 100 -8.596 -2.688 4.289 792 H HIS 101 H HIS 101 -10.316 0.933 5.164 793 HA HIS 101 HA HIS 101 -12.058 -1.122 6.054 794 1HB HIS 101 2HB HIS 101 -11.146 1.194 7.144 795 2HB HIS 101 1HB HIS 101 -12.786 1.664 6.711 796 HD1 HIS 101 1HD HIS 101 -11.866 -1.781 7.930 797 HD2 HIS 101 2HD HIS 101 -13.810 1.637 9.271 798 HE1 HIS 101 1HE HIS 101 -12.950 -2.433 10.102 799 HE2 HIS 101 2HE HIS 101 -14.050 -0.326 10.938 800 H PHE 102 H PHE 102 -12.517 1.743 4.030 801 HA PHE 102 HA PHE 102 -15.316 1.521 3.760 802 1HB PHE 102 2HB PHE 102 -13.145 3.017 2.425 803 2HB PHE 102 1HB PHE 102 -14.589 2.754 1.454 804 HD1 PHE 102 1HD PHE 102 -16.735 2.936 3.404 805 HD2 PHE 102 2HD PHE 102 -13.168 5.231 3.060 806 HE1 PHE 102 1HE PHE 102 -17.841 4.819 4.538 807 HE2 PHE 102 2HE PHE 102 -14.268 7.118 4.195 808 HZ PHE 102 HZ PHE 102 -16.607 6.913 4.936 809 H HIS 103 H HIS 103 -12.651 0.368 1.717 810 HA HIS 103 HA HIS 103 -14.291 -0.802 -0.266 811 1HB HIS 103 2HB HIS 103 -11.977 -0.271 -0.741 812 2HB HIS 103 1HB HIS 103 -11.426 -1.367 0.520 813 HD1 HIS 103 1HD HIS 103 -10.036 -2.367 -1.598 814 HD2 HIS 103 2HD HIS 103 -14.138 -3.024 -1.557 815 HE1 HIS 103 1HE HIS 103 -10.430 -4.256 -3.210 816 HE2 HIS 103 2HE HIS 103 -12.905 -4.704 -3.089 817 H SER 104 H SER 104 -12.536 -2.250 2.476 818 HA SER 104 HA SER 104 -13.436 -4.879 2.052 819 1HB SER 104 2HB SER 104 -12.648 -5.332 4.314 820 2HB SER 104 1HB SER 104 -11.495 -4.293 3.476 821 HG SER 104 HG SER 104 -12.527 -3.825 5.782 822 H ALA 105 H ALA 105 -14.729 -2.261 4.058 823 HA ALA 105 HA ALA 105 -16.767 -3.783 5.283 824 1HB ALA 105 1HB ALA 105 -16.060 -1.696 6.248 825 2HB ALA 105 2HB ALA 105 -17.771 -1.586 5.836 826 3HB ALA 105 3HB ALA 105 -16.565 -0.814 4.806 827 H PHE 106 H PHE 106 -16.764 -1.723 2.391 828 HA PHE 106 HA PHE 106 -19.543 -2.309 1.858 829 1HB PHE 106 2HB PHE 106 -17.449 -0.606 0.576 830 2HB PHE 106 1HB PHE 106 -18.868 -1.058 -0.360 831 HD1 PHE 106 1HD PHE 106 -17.540 1.136 2.132 832 HD2 PHE 106 2HD PHE 106 -21.149 -0.484 0.569 833 HE1 PHE 106 1HE PHE 106 -18.809 2.960 3.185 834 HE2 PHE 106 2HE PHE 106 -22.426 1.338 1.618 835 HZ PHE 106 HZ PHE 106 -21.256 3.065 2.928 836 H LYS 107 H LYS 107 -16.865 -4.130 1.535 837 HA LYS 107 HA LYS 107 -17.366 -5.159 -1.125 838 1HB LYS 107 2HB LYS 107 -15.219 -5.292 0.804 839 2HB LYS 107 1HB LYS 107 -15.628 -6.903 0.230 840 1HG LYS 107 2HG LYS 107 -15.230 -4.679 -1.723 841 2HG LYS 107 1HG LYS 107 -13.840 -5.505 -1.017 842 1HD LYS 107 2HD LYS 107 -14.370 -7.524 -2.016 843 2HD LYS 107 1HD LYS 107 -16.071 -7.099 -2.209 844 1HE LYS 107 2HE LYS 107 -14.818 -5.193 -3.721 845 2HE LYS 107 1HE LYS 107 -13.793 -6.603 -3.976 846 1HZ LYS 107 1HZ LYS 107 -15.433 -7.718 -5.049 847 2HZ LYS 107 2HZ LYS 107 -15.925 -6.146 -5.432 848 3HZ LYS 107 3HZ LYS 107 -16.682 -6.984 -4.174 849 H SER 108 H SER 108 -18.092 -5.969 2.188 850 HA SER 108 HA SER 108 -19.208 -8.553 1.387 851 1HB SER 108 2HB SER 108 -18.355 -7.343 3.975 852 2HB SER 108 1HB SER 108 -19.642 -8.548 4.018 853 HG SER 108 HG SER 108 -18.134 -9.867 2.711 854 H MET 109 H MET 109 -20.515 -6.238 0.441 855 HA MET 109 HA MET 109 -22.870 -5.897 2.124 856 1HB MET 109 2HB MET 109 -21.654 -4.025 0.808 857 2HB MET 109 1HB MET 109 -22.495 -4.673 -0.595 858 1HG MET 109 2HG MET 109 -23.963 -3.059 0.046 859 2HG MET 109 1HG MET 109 -24.598 -4.429 0.955 860 1HE MET 109 1HE MET 109 -23.733 -0.461 2.277 861 2HE MET 109 2HE MET 109 -25.311 -1.230 2.439 862 3HE MET 109 3HE MET 109 -24.485 -1.235 0.882 Start of MODEL 19 1 1H MET -8 1HT MET -8 25.297 -6.923 -6.308 2 2H MET -8 2HT MET -8 25.757 -6.679 -7.945 3 3H MET -8 3HT MET -8 25.792 -8.255 -7.266 4 HA MET -8 HA MET -8 23.466 -6.585 -7.912 5 1HB MET -8 2HB MET -8 22.908 -8.424 -9.369 6 2HB MET -8 1HB MET -8 24.569 -7.944 -9.689 7 1HG MET -8 2HG MET -8 25.394 -9.823 -8.412 8 2HG MET -8 1HG MET -8 23.748 -10.278 -7.975 9 1HE MET -8 1HE MET -8 23.244 -12.186 -8.552 10 2HE MET -8 2HE MET -8 24.298 -13.132 -9.602 11 3HE MET -8 3HE MET -8 22.700 -12.642 -10.166 12 H GLY -7 H GLY -7 24.683 -9.309 -6.037 13 1HA GLY -7 2HA GLY -7 22.166 -9.281 -4.519 14 2HA GLY -7 1HA GLY -7 22.766 -10.809 -5.146 15 H HIS -6 H HIS -6 22.705 -8.815 -2.497 16 HA HIS -6 HA HIS -6 24.814 -10.368 -1.212 17 1HB HIS -6 2HB HIS -6 24.887 -7.436 -1.674 18 2HB HIS -6 1HB HIS -6 25.387 -7.999 -0.083 19 HD1 HIS -6 1HD HIS -6 27.210 -10.157 -0.356 20 HD2 HIS -6 2HD HIS -6 26.982 -7.293 -3.358 21 HE1 HIS -6 1HE HIS -6 29.376 -10.335 -1.620 22 HE2 HIS -6 2HE HIS -6 29.251 -8.536 -3.379 23 H HIS -5 H HIS -5 22.594 -7.642 -0.587 24 HA HIS -5 HA HIS -5 21.785 -8.997 1.899 25 1HB HIS -5 2HB HIS -5 22.859 -6.636 1.933 26 2HB HIS -5 1HB HIS -5 21.298 -6.084 1.335 27 HD1 HIS -5 1HD HIS -5 19.742 -8.266 3.178 28 HD2 HIS -5 2HD HIS -5 22.455 -5.365 4.400 29 HE1 HIS -5 1HE HIS -5 19.235 -7.853 5.606 30 HE2 HIS -5 2HE HIS -5 20.836 -6.036 6.302 31 H HIS -4 H HIS -4 20.623 -9.943 -0.367 32 HA HIS -4 HA HIS -4 18.606 -10.425 -1.299 33 1HB HIS -4 2HB HIS -4 17.594 -8.972 1.152 34 2HB HIS -4 1HB HIS -4 16.573 -9.887 0.047 35 HD1 HIS -4 1HD HIS -4 18.391 -10.244 3.112 36 HD2 HIS -4 2HD HIS -4 17.491 -12.738 -0.088 37 HE1 HIS -4 1HE HIS -4 18.731 -12.584 3.969 38 HE2 HIS -4 2HE HIS -4 18.264 -14.072 1.990 39 H HIS -3 H HIS -3 16.776 -9.499 -2.456 40 HA HIS -3 HA HIS -3 16.889 -6.592 -2.803 41 1HB HIS -3 2HB HIS -3 18.316 -7.672 -4.546 42 2HB HIS -3 1HB HIS -3 16.895 -8.540 -5.117 43 HD1 HIS -3 1HD HIS -3 16.225 -5.073 -4.106 44 HD2 HIS -3 2HD HIS -3 17.318 -7.087 -7.573 45 HE1 HIS -3 1HE HIS -3 15.799 -3.458 -5.985 46 HE2 HIS -3 2HE HIS -3 16.546 -4.668 -8.065 47 H HIS -2 H HIS -2 14.922 -5.773 -2.612 48 HA HIS -2 HA HIS -2 12.612 -7.497 -3.210 49 1HB HIS -2 2HB HIS -2 12.968 -6.555 -0.847 50 2HB HIS -2 1HB HIS -2 12.527 -4.994 -1.534 51 HD1 HIS -2 1HD HIS -2 10.759 -8.044 -2.739 52 HD2 HIS -2 2HD HIS -2 10.156 -4.964 -0.017 53 HE1 HIS -2 1HE HIS -2 8.333 -8.186 -2.089 54 HE2 HIS -2 2HE HIS -2 8.015 -6.370 -0.373 55 H HIS -1 H HIS -1 14.117 -4.411 -3.837 56 HA HIS -1 HA HIS -1 13.778 -2.848 -5.452 57 1HB HIS -1 2HB HIS -1 12.927 -5.273 -6.613 58 2HB HIS -1 1HB HIS -1 11.701 -4.080 -7.024 59 HD1 HIS -1 1HD HIS -1 13.858 -1.691 -7.183 60 HD2 HIS -1 2HD HIS -1 13.981 -5.327 -9.192 61 HE1 HIS -1 1HE HIS -1 15.305 -1.296 -9.202 62 HE2 HIS -1 2HE HIS -1 15.297 -3.487 -10.445 63 H MET 0 H MET 0 10.531 -4.294 -5.424 64 HA MET 0 HA MET 0 9.472 -1.669 -4.630 65 1HB MET 0 2HB MET 0 8.432 -3.880 -6.339 66 2HB MET 0 1HB MET 0 7.267 -2.905 -5.453 67 1HG MET 0 2HG MET 0 9.364 -1.732 -7.255 68 2HG MET 0 1HG MET 0 7.749 -2.175 -7.803 69 1HE MET 0 1HE MET 0 8.843 0.238 -8.429 70 2HE MET 0 2HE MET 0 8.806 1.631 -7.347 71 3HE MET 0 3HE MET 0 7.364 1.184 -8.260 72 H GLY 1 H GLY 1 7.096 -2.125 -3.613 73 1HA GLY 1 2HA GLY 1 6.419 -4.187 -2.019 74 2HA GLY 1 1HA GLY 1 7.693 -3.413 -1.089 75 H SER 2 H SER 2 7.350 -0.871 -1.080 76 HA SER 2 HA SER 2 4.876 -0.464 0.307 77 1HB SER 2 2HB SER 2 7.322 0.657 0.549 78 2HB SER 2 1HB SER 2 6.523 1.890 -0.426 79 HG SER 2 HG SER 2 5.504 0.832 2.003 80 H ALA 3 H ALA 3 6.317 1.325 -2.424 81 HA ALA 3 HA ALA 3 3.974 2.648 -3.176 82 1HB ALA 3 1HB ALA 3 6.214 1.887 -5.039 83 2HB ALA 3 2HB ALA 3 6.307 3.221 -3.888 84 3HB ALA 3 3HB ALA 3 5.108 3.254 -5.181 85 H GLY 4 H GLY 4 5.135 -0.557 -3.925 86 1HA GLY 4 2HA GLY 4 3.549 -1.106 -6.177 87 2HA GLY 4 1HA GLY 4 4.186 -2.308 -5.065 88 H THR 5 H THR 5 2.868 -1.504 -2.723 89 HA THR 5 HA THR 5 0.321 -2.721 -3.154 90 HB THR 5 HB THR 5 0.094 -1.911 -0.631 91 HG1 THR 5 1HG THR 5 2.164 -1.735 0.297 92 1HG2 THR 5 1HG2 THR 5 1.982 -4.072 -1.527 93 2HG2 THR 5 2HG2 THR 5 0.261 -4.238 -1.186 94 3HG2 THR 5 3HG2 THR 5 1.387 -3.868 0.120 95 H GLN 6 H GLN 6 1.469 0.551 -2.681 96 HA GLN 6 HA GLN 6 -0.999 1.784 -2.132 97 1HB GLN 6 2HB GLN 6 1.462 2.920 -3.471 98 2HB GLN 6 1HB GLN 6 0.123 3.872 -2.845 99 1HG GLN 6 2HG GLN 6 1.902 2.080 -1.206 100 2HG GLN 6 1HG GLN 6 2.042 3.835 -1.326 101 1HE2 GLN 6 1HE2 GLN 6 0.984 1.456 0.597 102 2HE2 GLN 6 2HE2 GLN 6 -0.282 2.274 1.440 103 H GLU 7 H GLU 7 0.548 0.841 -5.127 104 HA GLU 7 HA GLU 7 -1.020 2.345 -6.907 105 1HB GLU 7 2HB GLU 7 1.117 1.038 -7.393 106 2HB GLU 7 1HB GLU 7 0.096 -0.389 -7.505 107 1HG GLU 7 2HG GLU 7 -1.110 0.546 -9.351 108 2HG GLU 7 1HG GLU 7 -0.271 2.085 -9.176 109 H GLU 8 H GLU 8 -1.451 -0.966 -5.677 110 HA GLU 8 HA GLU 8 -3.820 -1.476 -7.139 111 1HB GLU 8 2HB GLU 8 -4.090 -3.414 -5.708 112 2HB GLU 8 1HB GLU 8 -2.407 -3.260 -6.187 113 1HG GLU 8 2HG GLU 8 -1.723 -2.650 -4.070 114 2HG GLU 8 1HG GLU 8 -3.330 -2.109 -3.593 115 H LEU 9 H LEU 9 -3.189 0.031 -4.047 116 HA LEU 9 HA LEU 9 -5.851 -0.065 -3.065 117 1HB LEU 9 2HB LEU 9 -3.333 1.282 -2.332 118 2HB LEU 9 1HB LEU 9 -4.794 2.113 -1.833 119 HG LEU 9 HG LEU 9 -5.404 -0.336 -0.946 120 1HD1 LEU 9 1HD1 LEU 9 -3.508 -1.494 -0.086 121 2HD1 LEU 9 2HD1 LEU 9 -2.414 -0.215 -0.617 122 3HD1 LEU 9 3HD1 LEU 9 -3.234 -1.228 -1.807 123 1HD2 LEU 9 1HD2 LEU 9 -4.021 0.520 1.190 124 2HD2 LEU 9 2HD2 LEU 9 -5.564 1.213 0.690 125 3HD2 LEU 9 3HD2 LEU 9 -4.054 2.005 0.239 126 H LEU 10 H LEU 10 -3.991 2.476 -4.717 127 HA LEU 10 HA LEU 10 -6.064 4.381 -4.778 128 1HB LEU 10 2HB LEU 10 -3.408 4.319 -5.509 129 2HB LEU 10 1HB LEU 10 -4.225 4.473 -7.052 130 HG LEU 10 HG LEU 10 -5.443 6.465 -6.111 131 1HD1 LEU 10 1HD1 LEU 10 -3.418 6.155 -3.901 132 2HD1 LEU 10 2HD1 LEU 10 -5.164 5.964 -3.747 133 3HD1 LEU 10 3HD1 LEU 10 -4.481 7.542 -4.138 134 1HD2 LEU 10 1HD2 LEU 10 -3.277 7.893 -6.104 135 2HD2 LEU 10 2HD2 LEU 10 -3.740 7.028 -7.571 136 3HD2 LEU 10 3HD2 LEU 10 -2.483 6.373 -6.522 137 H ARG 11 H ARG 11 -5.139 1.807 -6.994 138 HA ARG 11 HA ARG 11 -6.782 2.488 -9.153 139 1HB ARG 11 2HB ARG 11 -5.364 0.075 -8.229 140 2HB ARG 11 1HB ARG 11 -6.744 -0.233 -9.274 141 1HG ARG 11 2HG ARG 11 -4.539 1.685 -9.981 142 2HG ARG 11 1HG ARG 11 -4.526 -0.023 -10.427 143 1HD ARG 11 2HD ARG 11 -6.849 1.750 -11.102 144 2HD ARG 11 1HD ARG 11 -5.420 1.681 -12.135 145 HE ARG 11 HE ARG 11 -7.458 -0.325 -11.856 146 1HH1 ARG 11 1HH1 ARG 11 -4.140 0.278 -12.747 147 2HH1 ARG 11 2HH1 ARG 11 -4.023 -1.125 -13.755 148 1HH2 ARG 11 1HH2 ARG 11 -7.309 -2.171 -13.181 149 2HH2 ARG 11 2HH2 ARG 11 -5.824 -2.516 -14.001 150 H TRP 12 H TRP 12 -7.444 0.520 -6.283 151 HA TRP 12 HA TRP 12 -10.051 -0.266 -7.068 152 1HB TRP 12 2HB TRP 12 -8.613 -1.350 -5.283 153 2HB TRP 12 1HB TRP 12 -9.059 -0.012 -4.228 154 HD1 TRP 12 HD TRP 12 -10.362 -3.270 -5.624 155 HE1 TRP 12 1HE TRP 12 -12.657 -3.788 -4.581 156 HE3 TRP 12 3HE TRP 12 -11.227 1.203 -3.301 157 HZ2 TRP 12 2HZ TRP 12 -14.580 -2.474 -2.986 158 HZ3 TRP 12 3HZ TRP 12 -13.320 1.490 -2.038 159 HH2 TRP 12 HH TRP 12 -14.960 -0.312 -1.884 160 H CYS 13 H CYS 13 -8.798 2.465 -5.229 161 HA CYS 13 HA CYS 13 -11.314 3.444 -4.363 162 1HB CYS 13 2HB CYS 13 -8.763 4.033 -3.714 163 2HB CYS 13 1HB CYS 13 -9.117 5.386 -4.785 164 HG CYS 13 HG CYS 13 -10.642 6.361 -3.093 165 H GLN 14 H GLN 14 -9.228 4.280 -7.115 166 HA GLN 14 HA GLN 14 -10.869 6.341 -8.122 167 1HB GLN 14 2HB GLN 14 -9.573 6.113 -10.187 168 2HB GLN 14 1HB GLN 14 -8.526 6.106 -8.774 169 1HG GLN 14 2HG GLN 14 -8.341 3.684 -8.909 170 2HG GLN 14 1HG GLN 14 -9.414 3.672 -10.306 171 1HE2 GLN 14 1HE2 GLN 14 -6.302 4.810 -9.126 172 2HE2 GLN 14 2HE2 GLN 14 -5.534 4.879 -10.672 173 H GLU 15 H GLU 15 -10.842 2.863 -8.614 174 HA GLU 15 HA GLU 15 -12.574 2.781 -10.839 175 1HB GLU 15 2HB GLU 15 -11.202 0.867 -10.149 176 2HB GLU 15 1HB GLU 15 -12.142 0.716 -8.672 177 1HG GLU 15 2HG GLU 15 -12.968 -0.932 -10.115 178 2HG GLU 15 1HG GLU 15 -14.161 0.365 -10.152 179 H GLN 16 H GLN 16 -13.195 2.558 -7.352 180 HA GLN 16 HA GLN 16 -16.011 2.253 -7.625 181 1HB GLN 16 2HB GLN 16 -14.214 2.971 -5.321 182 2HB GLN 16 1HB GLN 16 -15.964 2.960 -5.152 183 1HG GLN 16 2HG GLN 16 -14.392 0.590 -6.121 184 2HG GLN 16 1HG GLN 16 -14.770 0.875 -4.422 185 1HE2 GLN 16 1HE2 GLN 16 -15.957 -1.056 -4.356 186 2HE2 GLN 16 2HE2 GLN 16 -17.535 -1.171 -5.048 187 H THR 17 H THR 17 -13.856 4.986 -7.436 188 HA THR 17 HA THR 17 -16.043 6.866 -7.066 189 HB THR 17 HB THR 17 -14.121 8.555 -7.267 190 HG1 THR 17 1HG THR 17 -12.427 7.570 -8.070 191 1HG2 THR 17 1HG2 THR 17 -15.023 7.127 -5.095 192 2HG2 THR 17 2HG2 THR 17 -13.979 8.548 -5.056 193 3HG2 THR 17 3HG2 THR 17 -13.271 6.934 -5.025 194 H ALA 18 H ALA 18 -15.156 5.164 -9.625 195 HA ALA 18 HA ALA 18 -14.879 7.258 -11.592 196 1HB ALA 18 1HB ALA 18 -15.199 5.201 -13.159 197 2HB ALA 18 2HB ALA 18 -14.963 4.274 -11.677 198 3HB ALA 18 3HB ALA 18 -13.708 5.380 -12.235 199 H GLY 19 H GLY 19 -16.435 8.103 -12.871 200 1HA GLY 19 2HA GLY 19 -18.637 7.425 -14.003 201 2HA GLY 19 1HA GLY 19 -19.194 7.207 -12.350 202 H TYR 20 H TYR 20 -17.606 9.531 -11.419 203 HA TYR 20 HA TYR 20 -19.606 11.527 -11.903 204 1HB TYR 20 2HB TYR 20 -16.985 11.769 -10.409 205 2HB TYR 20 1HB TYR 20 -18.333 12.899 -10.333 206 HD1 TYR 20 1HD TYR 20 -20.149 12.528 -8.858 207 HD2 TYR 20 2HD TYR 20 -17.281 9.450 -9.487 208 HE1 TYR 20 1HE TYR 20 -21.108 11.258 -6.984 209 HE2 TYR 20 2HE TYR 20 -18.231 8.172 -7.615 210 HH TYR 20 HH TYR 20 -20.954 8.345 -6.464 211 HA PRO 21 HA PRO 21 -17.562 13.468 -15.335 212 1HB PRO 21 2HB PRO 21 -18.960 15.768 -15.431 213 2HB PRO 21 1HB PRO 21 -19.672 14.218 -15.895 214 1HG PRO 21 2HG PRO 21 -19.940 15.732 -13.326 215 2HG PRO 21 1HG PRO 21 -21.188 14.892 -14.265 216 1HD PRO 21 2HD PRO 21 -19.996 13.820 -12.059 217 2HD PRO 21 1HD PRO 21 -20.636 12.840 -13.393 218 H GLY 22 H GLY 22 -15.486 13.798 -14.436 219 1HA GLY 22 2HA GLY 22 -14.039 15.844 -14.444 220 2HA GLY 22 1HA GLY 22 -15.103 16.446 -13.182 221 H VAL 23 H VAL 23 -14.883 13.239 -12.593 222 HA VAL 23 HA VAL 23 -13.078 13.643 -10.395 223 HB VAL 23 HB VAL 23 -15.062 12.219 -10.145 224 1HG1 VAL 23 1HG1 VAL 23 -13.883 9.941 -11.583 225 2HG1 VAL 23 2HG1 VAL 23 -14.491 11.246 -12.602 226 3HG1 VAL 23 3HG1 VAL 23 -15.565 10.454 -11.448 227 1HG2 VAL 23 1HG2 VAL 23 -12.615 11.800 -9.080 228 2HG2 VAL 23 2HG2 VAL 23 -12.923 10.224 -9.809 229 3HG2 VAL 23 3HG2 VAL 23 -14.055 10.888 -8.629 230 H HIS 24 H HIS 24 -10.964 13.427 -10.474 231 HA HIS 24 HA HIS 24 -9.784 11.515 -12.374 232 1HB HIS 24 2HB HIS 24 -9.168 14.405 -11.985 233 2HB HIS 24 1HB HIS 24 -7.823 13.318 -12.316 234 HD1 HIS 24 1HD HIS 24 -10.437 15.224 -13.960 235 HD2 HIS 24 2HD HIS 24 -8.179 11.850 -14.838 236 HE1 HIS 24 1HE HIS 24 -10.657 14.897 -16.443 237 HE2 HIS 24 2HE HIS 24 -9.214 12.898 -16.963 238 H VAL 25 H VAL 25 -10.121 10.413 -10.117 239 HA VAL 25 HA VAL 25 -8.245 11.039 -8.064 240 HB VAL 25 HB VAL 25 -9.691 8.424 -8.486 241 1HG1 VAL 25 1HG1 VAL 25 -8.602 9.685 -5.973 242 2HG1 VAL 25 2HG1 VAL 25 -7.830 8.379 -6.870 243 3HG1 VAL 25 3HG1 VAL 25 -9.396 8.116 -6.104 244 1HG2 VAL 25 1HG2 VAL 25 -10.650 10.636 -6.706 245 2HG2 VAL 25 2HG2 VAL 25 -11.538 9.248 -7.332 246 3HG2 VAL 25 3HG2 VAL 25 -11.106 10.575 -8.408 247 H SER 26 H SER 26 -6.134 10.955 -8.597 248 HA SER 26 HA SER 26 -5.022 8.350 -9.237 249 1HB SER 26 2HB SER 26 -4.918 10.700 -11.082 250 2HB SER 26 1HB SER 26 -3.509 9.644 -10.981 251 HG SER 26 HG SER 26 -5.042 9.013 -12.603 252 H ASP 27 H ASP 27 -5.042 10.427 -7.046 253 HA ASP 27 HA ASP 27 -2.144 10.435 -6.620 254 1HB ASP 27 2HB ASP 27 -3.963 12.822 -6.242 255 2HB ASP 27 1HB ASP 27 -2.310 12.732 -5.643 256 H LEU 28 H LEU 28 -1.505 10.188 -4.486 257 HA LEU 28 HA LEU 28 -3.620 9.293 -2.682 258 1HB LEU 28 2HB LEU 28 -1.138 8.261 -3.301 259 2HB LEU 28 1HB LEU 28 -0.866 9.023 -1.746 260 HG LEU 28 HG LEU 28 -3.158 7.127 -2.156 261 1HD1 LEU 28 1HD1 LEU 28 -1.874 5.268 -1.756 262 2HD1 LEU 28 2HD1 LEU 28 -0.564 6.195 -1.024 263 3HD1 LEU 28 3HD1 LEU 28 -0.787 6.215 -2.774 264 1HD2 LEU 28 1HD2 LEU 28 -2.327 6.800 0.369 265 2HD2 LEU 28 2HD2 LEU 28 -3.506 8.022 -0.108 266 3HD2 LEU 28 3HD2 LEU 28 -1.814 8.466 0.108 267 H SER 29 H SER 29 -3.317 12.111 -3.116 268 HA SER 29 HA SER 29 -3.231 12.978 -0.404 269 1HB SER 29 2HB SER 29 -1.000 13.877 -2.241 270 2HB SER 29 1HB SER 29 -1.384 14.633 -0.695 271 HG SER 29 HG SER 29 -1.094 12.403 0.169 272 H SER 30 H SER 30 -2.425 14.634 -3.450 273 HA SER 30 HA SER 30 -4.030 16.862 -3.012 274 1HB SER 30 2HB SER 30 -2.699 15.652 -5.375 275 2HB SER 30 1HB SER 30 -3.963 16.838 -5.695 276 HG SER 30 HG SER 30 -1.873 17.784 -5.478 277 H SER 31 H SER 31 -4.772 13.867 -4.757 278 HA SER 31 HA SER 31 -7.251 14.554 -5.790 279 1HB SER 31 2HB SER 31 -5.768 12.104 -5.303 280 2HB SER 31 1HB SER 31 -7.502 11.866 -5.089 281 HG SER 31 HG SER 31 -7.780 12.809 -7.177 282 H TRP 32 H TRP 32 -6.367 13.684 -2.528 283 HA TRP 32 HA TRP 32 -9.140 13.426 -1.697 284 1HB TRP 32 2HB TRP 32 -6.647 13.357 0.010 285 2HB TRP 32 1HB TRP 32 -8.260 12.825 0.474 286 HD1 TRP 32 HD TRP 32 -5.416 11.837 -1.953 287 HE1 TRP 32 1HE TRP 32 -5.575 9.305 -2.381 288 HE3 TRP 32 3HE TRP 32 -9.725 10.847 0.612 289 HZ2 TRP 32 2HZ TRP 32 -7.297 7.170 -1.719 290 HZ3 TRP 32 3HZ TRP 32 -10.561 8.533 0.665 291 HH2 TRP 32 HH TRP 32 -9.371 6.733 -0.478 292 H ALA 33 H ALA 33 -7.202 15.988 -2.332 293 HA ALA 33 HA ALA 33 -7.321 17.693 -0.163 294 1HB ALA 33 1HB ALA 33 -7.378 19.532 -1.920 295 2HB ALA 33 2HB ALA 33 -7.409 18.235 -3.115 296 3HB ALA 33 3HB ALA 33 -6.044 18.382 -2.009 297 H ASP 34 H ASP 34 -9.663 17.605 -2.861 298 HA ASP 34 HA ASP 34 -11.532 19.228 -1.393 299 1HB ASP 34 2HB ASP 34 -13.027 18.764 -3.385 300 2HB ASP 34 1HB ASP 34 -11.500 19.563 -3.749 301 H GLY 35 H GLY 35 -10.763 15.977 -1.281 302 1HA GLY 35 2HA GLY 35 -11.751 14.257 -0.115 303 2HA GLY 35 1HA GLY 35 -13.015 15.378 0.366 304 H LEU 36 H LEU 36 -12.138 14.626 -2.955 305 HA LEU 36 HA LEU 36 -14.854 13.997 -3.596 306 1HB LEU 36 2HB LEU 36 -12.351 14.440 -5.035 307 2HB LEU 36 1HB LEU 36 -13.343 13.190 -5.762 308 HG LEU 36 HG LEU 36 -13.738 15.419 -6.742 309 1HD1 LEU 36 1HD1 LEU 36 -16.289 14.889 -5.369 310 2HD1 LEU 36 2HD1 LEU 36 -15.552 13.510 -6.185 311 3HD1 LEU 36 3HD1 LEU 36 -15.919 14.979 -7.090 312 1HD2 LEU 36 1HD2 LEU 36 -13.948 17.233 -5.482 313 2HD2 LEU 36 2HD2 LEU 36 -13.726 16.240 -4.042 314 3HD2 LEU 36 3HD2 LEU 36 -15.348 16.540 -4.664 315 H ALA 37 H ALA 37 -11.993 12.152 -2.837 316 HA ALA 37 HA ALA 37 -12.828 9.667 -3.898 317 1HB ALA 37 1HB ALA 37 -10.872 10.362 -1.719 318 2HB ALA 37 2HB ALA 37 -10.525 9.955 -3.398 319 3HB ALA 37 3HB ALA 37 -11.136 8.718 -2.299 320 H LEU 38 H LEU 38 -13.066 11.051 -0.630 321 HA LEU 38 HA LEU 38 -14.450 8.799 0.451 322 1HB LEU 38 2HB LEU 38 -13.735 11.531 1.379 323 2HB LEU 38 1HB LEU 38 -15.057 10.725 2.202 324 HG LEU 38 HG LEU 38 -13.010 8.818 2.089 325 1HD1 LEU 38 1HD1 LEU 38 -11.341 10.394 3.469 326 2HD1 LEU 38 2HD1 LEU 38 -11.949 11.564 2.299 327 3HD1 LEU 38 3HD1 LEU 38 -11.171 10.082 1.743 328 1HD2 LEU 38 1HD2 LEU 38 -14.260 8.751 3.993 329 2HD2 LEU 38 2HD2 LEU 38 -14.311 10.506 4.157 330 3HD2 LEU 38 3HD2 LEU 38 -12.854 9.620 4.608 331 H CYS 39 H CYS 39 -15.391 11.843 -0.999 332 HA CYS 39 HA CYS 39 -18.136 11.729 -0.290 333 1HB CYS 39 2HB CYS 39 -16.509 13.287 -2.260 334 2HB CYS 39 1HB CYS 39 -18.263 13.322 -2.378 335 HG CYS 39 HG CYS 39 -17.237 14.053 0.396 336 H ALA 40 H ALA 40 -16.386 10.899 -3.273 337 HA ALA 40 HA ALA 40 -18.586 10.072 -4.781 338 1HB ALA 40 1HB ALA 40 -15.661 9.598 -4.896 339 2HB ALA 40 2HB ALA 40 -16.746 10.291 -6.101 340 3HB ALA 40 3HB ALA 40 -16.702 8.545 -5.855 341 H LEU 41 H LEU 41 -16.522 8.253 -2.547 342 HA LEU 41 HA LEU 41 -17.568 5.702 -3.065 343 1HB LEU 41 2HB LEU 41 -16.294 6.883 -0.602 344 2HB LEU 41 1HB LEU 41 -16.757 5.195 -0.714 345 HG LEU 41 HG LEU 41 -14.838 6.500 -2.637 346 1HD1 LEU 41 1HD1 LEU 41 -13.108 5.224 -1.299 347 2HD1 LEU 41 2HD1 LEU 41 -14.327 5.093 -0.032 348 3HD1 LEU 41 3HD1 LEU 41 -13.762 6.680 -0.550 349 1HD2 LEU 41 1HD2 LEU 41 -14.233 4.222 -3.186 350 2HD2 LEU 41 2HD2 LEU 41 -15.968 4.451 -3.404 351 3HD2 LEU 41 3HD2 LEU 41 -15.362 3.604 -1.981 352 H VAL 42 H VAL 42 -18.413 8.022 -0.495 353 HA VAL 42 HA VAL 42 -20.489 6.501 0.629 354 HB VAL 42 HB VAL 42 -20.310 9.515 0.607 355 1HG1 VAL 42 1HG1 VAL 42 -21.682 9.497 2.501 356 2HG1 VAL 42 2HG1 VAL 42 -21.432 7.772 2.776 357 3HG1 VAL 42 3HG1 VAL 42 -22.420 8.315 1.420 358 1HG2 VAL 42 1HG2 VAL 42 -18.632 9.479 2.095 359 2HG2 VAL 42 2HG2 VAL 42 -18.330 7.853 1.483 360 3HG2 VAL 42 3HG2 VAL 42 -19.286 8.081 2.947 361 H TYR 43 H TYR 43 -20.607 9.153 -1.744 362 HA TYR 43 HA TYR 43 -23.356 9.280 -2.101 363 1HB TYR 43 2HB TYR 43 -21.625 10.849 -3.045 364 2HB TYR 43 1HB TYR 43 -21.310 9.650 -4.294 365 HD1 TYR 43 1HD TYR 43 -22.590 9.628 -6.247 366 HD2 TYR 43 2HD TYR 43 -24.026 11.744 -2.847 367 HE1 TYR 43 1HE TYR 43 -24.415 10.562 -7.606 368 HE2 TYR 43 2HE TYR 43 -25.855 12.683 -4.197 369 HH TYR 43 HH TYR 43 -27.095 12.127 -6.260 370 H ARG 44 H ARG 44 -20.998 7.101 -3.559 371 HA ARG 44 HA ARG 44 -22.703 5.945 -5.482 372 1HB ARG 44 2HB ARG 44 -20.073 5.756 -5.000 373 2HB ARG 44 1HB ARG 44 -20.595 4.260 -4.239 374 1HG ARG 44 2HG ARG 44 -21.488 4.925 -7.011 375 2HG ARG 44 1HG ARG 44 -19.882 4.250 -6.724 376 1HD ARG 44 2HD ARG 44 -22.343 2.967 -5.587 377 2HD ARG 44 1HD ARG 44 -21.817 2.633 -7.237 378 HE ARG 44 HE ARG 44 -19.595 2.225 -5.693 379 1HH1 ARG 44 1HH1 ARG 44 -22.838 0.940 -5.753 380 2HH1 ARG 44 2HH1 ARG 44 -22.372 -0.606 -5.125 381 1HH2 ARG 44 1HH2 ARG 44 -18.980 0.192 -4.868 382 2HH2 ARG 44 2HH2 ARG 44 -20.181 -1.029 -4.622 383 H LEU 45 H LEU 45 -21.953 5.038 -2.139 384 HA LEU 45 HA LEU 45 -23.620 2.709 -2.195 385 1HB LEU 45 2HB LEU 45 -22.047 4.168 -0.127 386 2HB LEU 45 1HB LEU 45 -23.296 3.060 0.409 387 HG LEU 45 HG LEU 45 -22.206 1.241 -0.852 388 1HD1 LEU 45 1HD1 LEU 45 -21.132 2.479 -2.601 389 2HD1 LEU 45 2HD1 LEU 45 -19.898 1.620 -1.679 390 3HD1 LEU 45 3HD1 LEU 45 -20.137 3.351 -1.433 391 1HD2 LEU 45 1HD2 LEU 45 -20.063 1.239 0.575 392 2HD2 LEU 45 2HD2 LEU 45 -21.622 1.256 1.399 393 3HD2 LEU 45 3HD2 LEU 45 -20.688 2.744 1.248 394 H GLN 46 H GLN 46 -24.027 6.066 -1.323 395 HA GLN 46 HA GLN 46 -26.893 5.664 -1.134 396 1HB GLN 46 2HB GLN 46 -25.175 6.285 1.189 397 2HB GLN 46 1HB GLN 46 -26.612 7.286 1.023 398 1HG GLN 46 2HG GLN 46 -27.929 5.661 1.755 399 2HG GLN 46 1HG GLN 46 -27.236 4.499 0.625 400 1HE2 GLN 46 1HE2 GLN 46 -27.969 4.601 3.624 401 2HE2 GLN 46 2HE2 GLN 46 -26.602 3.863 4.382 402 HA PRO 47 HA PRO 47 -25.610 9.598 -3.225 403 1HB PRO 47 2HB PRO 47 -27.153 9.284 -5.420 404 2HB PRO 47 1HB PRO 47 -25.553 8.545 -5.276 405 1HG PRO 47 2HG PRO 47 -28.251 7.318 -4.851 406 2HG PRO 47 1HG PRO 47 -26.841 6.655 -5.698 407 1HD PRO 47 2HD PRO 47 -27.501 5.962 -3.154 408 2HD PRO 47 1HD PRO 47 -25.829 5.983 -3.746 409 H GLY 48 H GLY 48 -28.721 8.118 -2.579 410 1HA GLY 48 2HA GLY 48 -30.293 10.453 -3.011 411 2HA GLY 48 1HA GLY 48 -30.795 9.013 -2.139 412 H LEU 49 H LEU 49 -28.472 9.248 -0.295 413 HA LEU 49 HA LEU 49 -29.606 11.359 1.408 414 1HB LEU 49 2HB LEU 49 -27.902 9.015 2.244 415 2HB LEU 49 1HB LEU 49 -28.745 10.132 3.301 416 HG LEU 49 HG LEU 49 -30.147 8.280 1.376 417 1HD1 LEU 49 1HD1 LEU 49 -29.381 6.694 2.793 418 2HD1 LEU 49 2HD1 LEU 49 -30.725 7.262 3.783 419 3HD1 LEU 49 3HD1 LEU 49 -29.090 7.842 4.099 420 1HD2 LEU 49 1HD2 LEU 49 -32.100 9.086 2.173 421 2HD2 LEU 49 2HD2 LEU 49 -31.121 10.515 2.505 422 3HD2 LEU 49 3HD2 LEU 49 -31.456 9.355 3.792 423 H LEU 50 H LEU 50 -27.531 11.701 -0.719 424 HA LEU 50 HA LEU 50 -25.618 13.138 0.949 425 1HB LEU 50 2HB LEU 50 -24.991 10.837 -0.796 426 2HB LEU 50 1HB LEU 50 -23.913 12.213 -0.929 427 HG LEU 50 HG LEU 50 -24.011 11.936 1.765 428 1HD1 LEU 50 1HD1 LEU 50 -24.114 9.130 0.675 429 2HD1 LEU 50 2HD1 LEU 50 -25.434 9.919 1.540 430 3HD1 LEU 50 3HD1 LEU 50 -23.902 9.615 2.359 431 1HD2 LEU 50 1HD2 LEU 50 -22.113 10.228 0.219 432 2HD2 LEU 50 2HD2 LEU 50 -21.811 11.271 1.609 433 3HD2 LEU 50 3HD2 LEU 50 -22.081 11.979 0.017 434 H GLU 51 H GLU 51 -24.260 14.643 -0.345 435 HA GLU 51 HA GLU 51 -25.162 15.330 -2.995 436 1HB GLU 51 2HB GLU 51 -25.778 17.102 -0.631 437 2HB GLU 51 1HB GLU 51 -25.724 17.705 -2.282 438 1HG GLU 51 2HG GLU 51 -27.404 15.703 -2.684 439 2HG GLU 51 1HG GLU 51 -27.713 15.946 -0.965 440 HA PRO 52 HA PRO 52 -20.752 16.415 -1.481 441 1HB PRO 52 2HB PRO 52 -19.514 14.788 -3.325 442 2HB PRO 52 1HB PRO 52 -19.850 14.333 -1.654 443 1HG PRO 52 2HG PRO 52 -21.388 13.692 -4.137 444 2HG PRO 52 1HG PRO 52 -21.001 12.649 -2.753 445 1HD PRO 52 2HD PRO 52 -23.425 13.751 -3.028 446 2HD PRO 52 1HD PRO 52 -22.667 13.575 -1.431 447 H SER 53 H SER 53 -22.551 16.312 -4.433 448 HA SER 53 HA SER 53 -20.769 17.452 -6.234 449 1HB SER 53 2HB SER 53 -23.747 17.443 -5.968 450 2HB SER 53 1HB SER 53 -23.010 18.529 -7.147 451 HG SER 53 HG SER 53 -23.194 16.734 -8.300 452 H GLU 54 H GLU 54 -22.847 18.966 -3.828 453 HA GLU 54 HA GLU 54 -22.210 21.646 -4.560 454 1HB GLU 54 2HB GLU 54 -24.115 20.473 -2.981 455 2HB GLU 54 1HB GLU 54 -23.046 21.184 -1.780 456 1HG GLU 54 2HG GLU 54 -23.779 23.235 -2.202 457 2HG GLU 54 1HG GLU 54 -23.614 23.021 -3.944 458 H LEU 55 H LEU 55 -21.160 19.536 -1.897 459 HA LEU 55 HA LEU 55 -19.277 21.420 -0.873 460 1HB LEU 55 2HB LEU 55 -19.386 18.452 -0.360 461 2HB LEU 55 1HB LEU 55 -18.611 19.668 0.639 462 HG LEU 55 HG LEU 55 -21.500 20.069 0.195 463 1HD1 LEU 55 1HD1 LEU 55 -21.964 17.886 0.555 464 2HD1 LEU 55 2HD1 LEU 55 -21.701 18.349 2.237 465 3HD1 LEU 55 3HD1 LEU 55 -20.409 17.568 1.324 466 1HD2 LEU 55 1HD2 LEU 55 -21.112 20.199 2.835 467 2HD2 LEU 55 2HD2 LEU 55 -20.761 21.543 1.747 468 3HD2 LEU 55 3HD2 LEU 55 -19.459 20.485 2.294 469 H GLN 56 H GLN 56 -19.175 19.398 -3.563 470 HA GLN 56 HA GLN 56 -16.543 18.454 -3.534 471 1HB GLN 56 2HB GLN 56 -18.214 17.676 -5.142 472 2HB GLN 56 1HB GLN 56 -18.246 19.263 -5.896 473 1HG GLN 56 2HG GLN 56 -15.555 18.354 -5.843 474 2HG GLN 56 1HG GLN 56 -16.570 17.059 -6.476 475 1HE2 GLN 56 1HE2 GLN 56 -15.193 20.141 -7.056 476 2HE2 GLN 56 2HE2 GLN 56 -15.782 20.352 -8.665 477 H GLY 57 H GLY 57 -17.857 21.587 -4.412 478 1HA GLY 57 2HA GLY 57 -15.086 22.521 -4.854 479 2HA GLY 57 1HA GLY 57 -16.454 23.143 -5.765 480 H LEU 58 H LEU 58 -18.035 22.990 -3.129 481 HA LEU 58 HA LEU 58 -17.832 25.686 -2.433 482 1HB LEU 58 2HB LEU 58 -19.296 23.351 -1.516 483 2HB LEU 58 1HB LEU 58 -18.875 24.413 -0.187 484 HG LEU 58 HG LEU 58 -19.850 26.276 -1.752 485 1HD1 LEU 58 1HD1 LEU 58 -21.374 25.649 -3.356 486 2HD1 LEU 58 2HD1 LEU 58 -21.612 24.048 -2.658 487 3HD1 LEU 58 3HD1 LEU 58 -20.137 24.408 -3.554 488 1HD2 LEU 58 1HD2 LEU 58 -21.152 24.382 0.106 489 2HD2 LEU 58 2HD2 LEU 58 -22.216 25.409 -0.855 490 3HD2 LEU 58 3HD2 LEU 58 -20.998 26.136 0.194 491 H GLY 59 H GLY 59 -16.213 22.852 -1.156 492 1HA GLY 59 2HA GLY 59 -14.060 24.276 -0.090 493 2HA GLY 59 1HA GLY 59 -15.208 24.011 1.216 494 H ALA 60 H ALA 60 -12.438 22.947 0.562 495 HA ALA 60 HA ALA 60 -12.685 20.176 0.023 496 1HB ALA 60 1HB ALA 60 -10.509 20.531 -0.273 497 2HB ALA 60 2HB ALA 60 -10.338 20.504 1.482 498 3HB ALA 60 3HB ALA 60 -10.567 22.037 0.642 499 H LEU 61 H LEU 61 -11.979 21.877 3.081 500 HA LEU 61 HA LEU 61 -12.155 19.619 4.728 501 1HB LEU 61 2HB LEU 61 -11.421 22.179 5.117 502 2HB LEU 61 1HB LEU 61 -13.011 22.218 5.856 503 HG LEU 61 HG LEU 61 -12.201 20.138 7.176 504 1HD1 LEU 61 1HD1 LEU 61 -9.628 21.250 6.098 505 2HD1 LEU 61 2HD1 LEU 61 -10.203 19.583 6.073 506 3HD1 LEU 61 3HD1 LEU 61 -9.702 20.321 7.595 507 1HD2 LEU 61 1HD2 LEU 61 -12.546 21.886 8.572 508 2HD2 LEU 61 2HD2 LEU 61 -11.621 23.009 7.575 509 3HD2 LEU 61 3HD2 LEU 61 -10.784 21.879 8.639 510 H GLU 62 H GLU 62 -14.614 21.885 3.623 511 HA GLU 62 HA GLU 62 -16.701 21.067 5.311 512 1HB GLU 62 2HB GLU 62 -16.462 22.579 2.786 513 2HB GLU 62 1HB GLU 62 -18.027 21.827 3.066 514 1HG GLU 62 2HG GLU 62 -18.014 24.100 3.883 515 2HG GLU 62 1HG GLU 62 -18.187 22.964 5.221 516 H ALA 63 H ALA 63 -15.691 19.909 2.121 517 HA ALA 63 HA ALA 63 -17.811 18.064 1.785 518 1HB ALA 63 1HB ALA 63 -15.910 17.005 0.225 519 2HB ALA 63 2HB ALA 63 -15.235 18.620 0.451 520 3HB ALA 63 3HB ALA 63 -16.850 18.426 -0.231 521 H THR 64 H THR 64 -14.515 17.730 3.048 522 HA THR 64 HA THR 64 -14.635 14.930 3.438 523 HB THR 64 HB THR 64 -12.925 16.778 5.083 524 HG1 THR 64 1HG THR 64 -12.044 17.482 3.335 525 1HG2 THR 64 1HG2 THR 64 -11.395 14.720 4.058 526 2HG2 THR 64 2HG2 THR 64 -12.924 13.954 4.491 527 3HG2 THR 64 3HG2 THR 64 -12.016 14.859 5.704 528 H ALA 65 H ALA 65 -15.037 17.647 5.706 529 HA ALA 65 HA ALA 65 -15.612 16.082 7.968 530 1HB ALA 65 1HB ALA 65 -16.794 18.272 8.716 531 2HB ALA 65 2HB ALA 65 -16.104 18.937 7.237 532 3HB ALA 65 3HB ALA 65 -15.047 18.263 8.478 533 H TRP 66 H TRP 66 -17.737 17.564 5.548 534 HA TRP 66 HA TRP 66 -20.167 16.794 6.779 535 1HB TRP 66 2HB TRP 66 -19.846 18.571 4.987 536 2HB TRP 66 1HB TRP 66 -19.764 17.252 3.823 537 HD1 TRP 66 HD TRP 66 -22.219 19.194 5.974 538 HE1 TRP 66 1HE TRP 66 -24.618 18.532 5.318 539 HE3 TRP 66 3HE TRP 66 -21.156 15.257 2.891 540 HZ2 TRP 66 2HZ TRP 66 -25.891 16.595 3.705 541 HZ3 TRP 66 3HZ TRP 66 -23.022 14.053 1.831 542 HH2 TRP 66 HH TRP 66 -25.340 14.709 2.231 543 H ALA 67 H ALA 67 -18.145 15.303 4.292 544 HA ALA 67 HA ALA 67 -19.889 13.152 3.715 545 1HB ALA 67 1HB ALA 67 -17.671 12.095 2.879 546 2HB ALA 67 2HB ALA 67 -16.990 13.686 3.219 547 3HB ALA 67 3HB ALA 67 -18.312 13.521 2.065 548 H LEU 68 H LEU 68 -17.279 13.581 6.044 549 HA LEU 68 HA LEU 68 -17.076 10.893 6.868 550 1HB LEU 68 2HB LEU 68 -16.334 13.521 8.090 551 2HB LEU 68 1HB LEU 68 -16.212 12.055 9.042 552 HG LEU 68 HG LEU 68 -14.800 12.519 6.415 553 1HD1 LEU 68 1HD1 LEU 68 -12.776 12.729 7.761 554 2HD1 LEU 68 2HD1 LEU 68 -13.736 12.602 9.234 555 3HD1 LEU 68 3HD1 LEU 68 -13.944 13.987 8.162 556 1HD2 LEU 68 1HD2 LEU 68 -13.469 10.520 7.588 557 2HD2 LEU 68 2HD2 LEU 68 -14.826 10.255 6.492 558 3HD2 LEU 68 3HD2 LEU 68 -15.078 10.208 8.237 559 H LYS 69 H LYS 69 -18.964 13.613 8.163 560 HA LYS 69 HA LYS 69 -20.089 12.185 10.322 561 1HB LYS 69 2HB LYS 69 -20.104 14.804 9.475 562 2HB LYS 69 1HB LYS 69 -21.774 14.314 9.224 563 1HG LYS 69 2HG LYS 69 -20.522 13.621 11.818 564 2HG LYS 69 1HG LYS 69 -20.914 15.314 11.521 565 1HD LYS 69 2HD LYS 69 -23.051 13.462 10.774 566 2HD LYS 69 1HD LYS 69 -22.648 13.426 12.491 567 1HE LYS 69 2HE LYS 69 -23.485 15.479 12.857 568 2HE LYS 69 1HE LYS 69 -22.840 16.117 11.345 569 1HZ LYS 69 1HZ LYS 69 -24.726 14.620 10.348 570 2HZ LYS 69 2HZ LYS 69 -25.059 16.181 10.906 571 3HZ LYS 69 3HZ LYS 69 -25.423 14.842 11.874 572 H VAL 70 H VAL 70 -21.358 12.933 7.083 573 HA VAL 70 HA VAL 70 -23.810 11.549 7.452 574 HB VAL 70 HB VAL 70 -24.052 11.689 5.002 575 1HG1 VAL 70 1HG1 VAL 70 -24.877 13.613 5.901 576 2HG1 VAL 70 2HG1 VAL 70 -23.568 14.294 4.935 577 3HG1 VAL 70 3HG1 VAL 70 -23.347 14.043 6.667 578 1HG2 VAL 70 1HG2 VAL 70 -22.142 13.153 3.926 579 2HG2 VAL 70 2HG2 VAL 70 -22.014 11.395 3.999 580 3HG2 VAL 70 3HG2 VAL 70 -21.165 12.391 5.182 581 H ALA 71 H ALA 71 -20.672 10.622 6.135 582 HA ALA 71 HA ALA 71 -21.333 8.170 5.004 583 1HB ALA 71 1HB ALA 71 -18.961 7.542 5.444 584 2HB ALA 71 2HB ALA 71 -18.792 9.025 6.383 585 3HB ALA 71 3HB ALA 71 -19.154 9.110 4.659 586 H GLU 72 H GLU 72 -20.472 8.972 8.338 587 HA GLU 72 HA GLU 72 -20.631 6.302 9.307 588 1HB GLU 72 2HB GLU 72 -19.386 8.198 10.406 589 2HB GLU 72 1HB GLU 72 -20.943 8.850 10.900 590 1HG GLU 72 2HG GLU 72 -21.120 6.288 11.793 591 2HG GLU 72 1HG GLU 72 -19.400 6.618 11.991 592 H ASN 73 H ASN 73 -22.890 8.990 9.062 593 HA ASN 73 HA ASN 73 -24.954 7.811 10.609 594 1HB ASN 73 2HB ASN 73 -24.526 10.284 9.494 595 2HB ASN 73 1HB ASN 73 -25.832 9.648 8.497 596 1HD2 ASN 73 1HD2 ASN 73 -26.200 11.842 10.091 597 2HD2 ASN 73 2HD2 ASN 73 -27.273 11.445 11.384 598 H GLU 74 H GLU 74 -24.251 7.845 7.144 599 HA GLU 74 HA GLU 74 -26.617 6.336 6.491 600 1HB GLU 74 2HB GLU 74 -24.380 7.576 4.999 601 2HB GLU 74 1HB GLU 74 -25.144 6.184 4.242 602 1HG GLU 74 2HG GLU 74 -26.593 7.651 3.411 603 2HG GLU 74 1HG GLU 74 -27.300 7.668 5.027 604 H LEU 75 H LEU 75 -23.148 5.682 6.725 605 HA LEU 75 HA LEU 75 -23.681 2.832 6.273 606 1HB LEU 75 2HB LEU 75 -21.618 4.581 5.429 607 2HB LEU 75 1HB LEU 75 -20.887 3.410 6.511 608 HG LEU 75 HG LEU 75 -20.795 2.762 4.114 609 1HD1 LEU 75 1HD1 LEU 75 -20.923 0.572 4.633 610 2HD1 LEU 75 2HD1 LEU 75 -22.549 0.712 5.301 611 3HD1 LEU 75 3HD1 LEU 75 -21.155 1.195 6.267 612 1HD2 LEU 75 1HD2 LEU 75 -22.609 2.546 2.794 613 2HD2 LEU 75 2HD2 LEU 75 -23.312 3.699 3.928 614 3HD2 LEU 75 3HD2 LEU 75 -23.635 1.975 4.109 615 H GLY 76 H GLY 76 -21.452 4.744 8.313 616 1HA GLY 76 2HA GLY 76 -21.694 4.534 10.764 617 2HA GLY 76 1HA GLY 76 -22.015 2.829 10.496 618 H ILE 77 H ILE 77 -19.525 4.706 8.863 619 HA ILE 77 HA ILE 77 -17.522 2.816 9.750 620 HB ILE 77 HB ILE 77 -17.065 5.282 8.079 621 1HG1 ILE 77 2HG1 ILE 77 -18.842 3.926 7.057 622 2HG1 ILE 77 1HG1 ILE 77 -17.362 3.856 6.104 623 1HG2 ILE 77 1HG2 ILE 77 -14.949 4.611 8.323 624 2HG2 ILE 77 2HG2 ILE 77 -15.370 3.289 7.234 625 3HG2 ILE 77 3HG2 ILE 77 -15.431 3.047 8.980 626 1HD1 ILE 77 1HD1 ILE 77 -17.529 1.729 8.072 627 2HD1 ILE 77 2HD1 ILE 77 -17.201 1.654 6.341 628 3HD1 ILE 77 3HD1 ILE 77 -18.866 1.714 6.921 629 H THR 78 H THR 78 -16.084 3.111 11.330 630 HA THR 78 HA THR 78 -16.307 5.377 13.056 631 HB THR 78 HB THR 78 -15.836 3.307 14.104 632 HG1 THR 78 1HG THR 78 -13.354 4.669 14.047 633 1HG2 THR 78 1HG2 THR 78 -13.650 2.113 13.660 634 2HG2 THR 78 2HG2 THR 78 -13.570 3.039 12.162 635 3HG2 THR 78 3HG2 THR 78 -14.916 1.935 12.444 636 HA PRO 79 HA PRO 79 -13.479 7.935 10.657 637 1HB PRO 79 2HB PRO 79 -13.599 9.565 13.136 638 2HB PRO 79 1HB PRO 79 -13.887 10.043 11.458 639 1HG PRO 79 2HG PRO 79 -15.914 9.763 13.165 640 2HG PRO 79 1HG PRO 79 -16.068 9.261 11.471 641 1HD PRO 79 2HD PRO 79 -15.648 7.590 13.916 642 2HD PRO 79 1HD PRO 79 -16.651 7.265 12.487 643 H VAL 80 H VAL 80 -11.314 7.905 10.560 644 HA VAL 80 HA VAL 80 -9.812 7.376 13.039 645 HB VAL 80 HB VAL 80 -9.085 6.257 10.332 646 1HG1 VAL 80 1HG1 VAL 80 -7.106 6.178 11.433 647 2HG1 VAL 80 2HG1 VAL 80 -7.814 4.712 12.109 648 3HG1 VAL 80 3HG1 VAL 80 -7.863 6.219 13.025 649 1HG2 VAL 80 1HG2 VAL 80 -9.798 4.066 11.317 650 2HG2 VAL 80 2HG2 VAL 80 -11.118 5.187 10.977 651 3HG2 VAL 80 3HG2 VAL 80 -10.547 4.972 12.632 652 H VAL 81 H VAL 81 -10.346 9.608 10.708 653 HA VAL 81 HA VAL 81 -7.777 10.880 11.193 654 HB VAL 81 HB VAL 81 -7.448 11.422 8.796 655 1HG1 VAL 81 1HG1 VAL 81 -6.385 9.445 10.027 656 2HG1 VAL 81 2HG1 VAL 81 -6.326 9.441 8.264 657 3HG1 VAL 81 3HG1 VAL 81 -7.507 8.439 9.111 658 1HG2 VAL 81 1HG2 VAL 81 -9.238 9.194 7.993 659 2HG2 VAL 81 2HG2 VAL 81 -8.761 10.642 7.103 660 3HG2 VAL 81 3HG2 VAL 81 -9.979 10.749 8.375 661 H SER 82 H SER 82 -7.762 13.155 10.521 662 HA SER 82 HA SER 82 -10.439 14.311 10.791 663 1HB SER 82 2HB SER 82 -7.997 16.016 10.877 664 2HB SER 82 1HB SER 82 -9.474 16.116 11.834 665 HG SER 82 HG SER 82 -7.143 14.832 12.378 666 H ALA 83 H ALA 83 -10.980 16.234 9.530 667 HA ALA 83 HA ALA 83 -10.621 15.822 6.766 668 1HB ALA 83 1HB ALA 83 -12.584 16.910 7.175 669 2HB ALA 83 2HB ALA 83 -11.571 18.289 6.748 670 3HB ALA 83 3HB ALA 83 -11.890 17.922 8.443 671 H GLN 84 H GLN 84 -9.182 18.162 9.008 672 HA GLN 84 HA GLN 84 -7.766 19.688 7.153 673 1HB GLN 84 2HB GLN 84 -6.352 20.369 9.023 674 2HB GLN 84 1HB GLN 84 -8.042 20.339 9.501 675 1HG GLN 84 2HG GLN 84 -7.747 18.302 10.696 676 2HG GLN 84 1HG GLN 84 -6.121 18.096 10.053 677 1HE2 GLN 84 1HE2 GLN 84 -7.729 18.865 12.740 678 2HE2 GLN 84 2HE2 GLN 84 -6.592 19.921 13.501 679 H ALA 85 H ALA 85 -6.969 16.623 8.677 680 HA ALA 85 HA ALA 85 -4.268 16.519 7.819 681 1HB ALA 85 1HB ALA 85 -5.448 15.146 9.651 682 2HB ALA 85 2HB ALA 85 -4.217 14.354 8.666 683 3HB ALA 85 3HB ALA 85 -5.927 14.078 8.331 684 H VAL 86 H VAL 86 -7.277 15.185 6.493 685 HA VAL 86 HA VAL 86 -6.133 13.801 4.335 686 HB VAL 86 HB VAL 86 -8.867 15.080 4.353 687 1HG1 VAL 86 1HG1 VAL 86 -7.671 12.763 2.849 688 2HG1 VAL 86 2HG1 VAL 86 -8.334 14.258 2.190 689 3HG1 VAL 86 3HG1 VAL 86 -9.404 13.073 2.937 690 1HG2 VAL 86 1HG2 VAL 86 -7.775 12.851 5.919 691 2HG2 VAL 86 2HG2 VAL 86 -9.280 12.489 5.070 692 3HG2 VAL 86 3HG2 VAL 86 -9.205 13.843 6.199 693 H VAL 87 H VAL 87 -7.509 17.079 4.506 694 HA VAL 87 HA VAL 87 -7.048 17.740 1.805 695 HB VAL 87 HB VAL 87 -7.202 19.636 4.153 696 1HG1 VAL 87 1HG1 VAL 87 -6.522 21.002 2.453 697 2HG1 VAL 87 2HG1 VAL 87 -8.263 21.031 2.176 698 3HG1 VAL 87 3HG1 VAL 87 -7.232 19.984 1.200 699 1HG2 VAL 87 1HG2 VAL 87 -9.481 18.846 2.363 700 2HG2 VAL 87 2HG2 VAL 87 -9.536 19.690 3.910 701 3HG2 VAL 87 3HG2 VAL 87 -9.121 17.979 3.855 702 H ALA 88 H ALA 88 -5.013 17.841 4.641 703 HA ALA 88 HA ALA 88 -2.969 19.432 3.354 704 1HB ALA 88 1HB ALA 88 -3.585 19.317 5.885 705 2HB ALA 88 2HB ALA 88 -1.902 19.509 5.392 706 3HB ALA 88 3HB ALA 88 -2.502 17.926 5.886 707 H GLY 89 H GLY 89 -3.831 16.144 3.402 708 1HA GLY 89 2HA GLY 89 -2.792 14.244 2.646 709 2HA GLY 89 1HA GLY 89 -1.825 15.330 1.657 710 H SER 90 H SER 90 -1.814 15.446 5.152 711 HA SER 90 HA SER 90 0.984 14.544 5.101 712 1HB SER 90 2HB SER 90 -0.496 16.543 6.757 713 2HB SER 90 1HB SER 90 0.880 15.708 7.479 714 HG SER 90 HG SER 90 2.023 16.386 5.479 715 H ASP 91 H ASP 91 -1.179 12.678 5.126 716 HA ASP 91 HA ASP 91 -0.416 11.162 7.455 717 1HB ASP 91 2HB ASP 91 -2.534 12.753 7.898 718 2HB ASP 91 1HB ASP 91 -3.366 11.378 7.177 719 HA PRO 92 HA PRO 92 -1.358 8.908 3.390 720 1HB PRO 92 2HB PRO 92 1.236 7.682 4.161 721 2HB PRO 92 1HB PRO 92 0.675 8.227 2.576 722 1HG PRO 92 2HG PRO 92 2.482 9.631 3.944 723 2HG PRO 92 1HG PRO 92 1.220 10.440 2.996 724 1HD PRO 92 2HD PRO 92 1.407 10.034 5.954 725 2HD PRO 92 1HD PRO 92 0.810 11.435 5.041 726 H LEU 93 H LEU 93 0.125 7.741 6.407 727 HA LEU 93 HA LEU 93 -0.698 5.079 6.235 728 1HB LEU 93 2HB LEU 93 0.269 6.882 8.343 729 2HB LEU 93 1HB LEU 93 -0.723 5.558 8.926 730 HG LEU 93 HG LEU 93 1.677 5.026 8.988 731 1HD1 LEU 93 1HD1 LEU 93 1.398 2.967 7.307 732 2HD1 LEU 93 2HD1 LEU 93 -0.286 3.482 7.409 733 3HD1 LEU 93 3HD1 LEU 93 0.593 3.044 8.874 734 1HD2 LEU 93 1HD2 LEU 93 2.824 6.006 7.302 735 2HD2 LEU 93 2HD2 LEU 93 1.488 5.859 6.160 736 3HD2 LEU 93 3HD2 LEU 93 2.510 4.465 6.505 737 H GLY 94 H GLY 94 -2.339 7.907 7.593 738 1HA GLY 94 2HA GLY 94 -4.544 6.537 8.691 739 2HA GLY 94 1HA GLY 94 -4.518 8.235 8.239 740 H LEU 95 H LEU 95 -3.969 7.861 5.470 741 HA LEU 95 HA LEU 95 -6.575 7.582 4.472 742 1HB LEU 95 2HB LEU 95 -3.889 7.990 3.361 743 2HB LEU 95 1HB LEU 95 -4.996 7.176 2.272 744 HG LEU 95 HG LEU 95 -6.596 9.173 2.953 745 1HD1 LEU 95 1HD1 LEU 95 -4.483 9.909 4.445 746 2HD1 LEU 95 2HD1 LEU 95 -5.654 11.047 3.774 747 3HD1 LEU 95 3HD1 LEU 95 -4.121 10.769 2.948 748 1HD2 LEU 95 1HD2 LEU 95 -4.320 9.474 0.998 749 2HD2 LEU 95 2HD2 LEU 95 -5.843 10.362 0.972 750 3HD2 LEU 95 3HD2 LEU 95 -5.831 8.621 0.689 751 H ILE 96 H ILE 96 -3.840 5.330 4.506 752 HA ILE 96 HA ILE 96 -5.055 3.297 2.977 753 HB ILE 96 HB ILE 96 -2.995 2.908 5.148 754 1HG1 ILE 96 2HG1 ILE 96 -2.204 4.624 3.628 755 2HG1 ILE 96 1HG1 ILE 96 -1.329 3.129 3.316 756 1HG2 ILE 96 1HG2 ILE 96 -4.172 1.196 3.072 757 2HG2 ILE 96 2HG2 ILE 96 -3.409 0.766 4.603 758 3HG2 ILE 96 3HG2 ILE 96 -2.414 1.127 3.192 759 1HD1 ILE 96 1HD1 ILE 96 -2.052 4.420 1.294 760 2HD1 ILE 96 2HD1 ILE 96 -3.712 3.994 1.710 761 3HD1 ILE 96 3HD1 ILE 96 -2.545 2.728 1.331 762 H ALA 97 H ALA 97 -4.892 3.823 6.486 763 HA ALA 97 HA ALA 97 -6.182 1.489 7.303 764 1HB ALA 97 1HB ALA 97 -6.767 3.925 8.861 765 2HB ALA 97 2HB ALA 97 -5.060 3.562 8.601 766 3HB ALA 97 3HB ALA 97 -6.107 2.375 9.379 767 H TYR 98 H TYR 98 -7.526 4.644 6.409 768 HA TYR 98 HA TYR 98 -10.222 3.965 6.990 769 1HB TYR 98 2HB TYR 98 -8.882 6.287 6.350 770 2HB TYR 98 1HB TYR 98 -9.847 5.992 4.908 771 HD1 TYR 98 1HD TYR 98 -10.639 5.313 8.486 772 HD2 TYR 98 2HD TYR 98 -11.574 7.549 4.990 773 HE1 TYR 98 1HE TYR 98 -12.609 6.252 9.619 774 HE2 TYR 98 2HE TYR 98 -13.545 8.494 6.114 775 HH TYR 98 HH TYR 98 -14.996 7.297 8.600 776 H LEU 99 H LEU 99 -8.347 4.061 3.973 777 HA LEU 99 HA LEU 99 -10.425 3.290 2.252 778 1HB LEU 99 2HB LEU 99 -7.821 4.033 1.937 779 2HB LEU 99 1HB LEU 99 -7.734 2.324 1.556 780 HG LEU 99 HG LEU 99 -9.635 4.246 0.218 781 1HD1 LEU 99 1HD1 LEU 99 -6.964 4.376 -0.072 782 2HD1 LEU 99 2HD1 LEU 99 -8.109 4.728 -1.367 783 3HD1 LEU 99 3HD1 LEU 99 -7.347 3.139 -1.271 784 1HD2 LEU 99 1HD2 LEU 99 -8.777 1.454 -0.529 785 2HD2 LEU 99 2HD2 LEU 99 -9.930 2.469 -1.397 786 3HD2 LEU 99 3HD2 LEU 99 -10.318 1.881 0.220 787 H SER 100 H SER 100 -8.268 1.433 4.289 788 HA SER 100 HA SER 100 -8.788 -1.108 3.148 789 1HB SER 100 2HB SER 100 -6.947 -0.281 4.875 790 2HB SER 100 1HB SER 100 -8.128 -0.863 6.050 791 HG SER 100 HG SER 100 -8.111 -2.853 4.708 792 H HIS 101 H HIS 101 -10.325 0.758 5.708 793 HA HIS 101 HA HIS 101 -12.067 -1.341 6.553 794 1HB HIS 101 2HB HIS 101 -11.525 1.407 7.297 795 2HB HIS 101 1HB HIS 101 -13.257 1.098 7.258 796 HD1 HIS 101 1HD HIS 101 -14.014 -1.079 8.728 797 HD2 HIS 101 2HD HIS 101 -10.304 0.586 9.577 798 HE1 HIS 101 1HE HIS 101 -13.401 -1.934 11.012 799 HE2 HIS 101 2HE HIS 101 -11.110 -0.987 11.465 800 H PHE 102 H PHE 102 -12.397 1.444 4.392 801 HA PHE 102 HA PHE 102 -15.149 1.067 3.840 802 1HB PHE 102 2HB PHE 102 -12.929 2.610 2.546 803 2HB PHE 102 1HB PHE 102 -14.469 2.440 1.711 804 HD1 PHE 102 1HD PHE 102 -15.896 4.208 1.947 805 HD2 PHE 102 2HD PHE 102 -13.316 3.207 5.180 806 HE1 PHE 102 1HE PHE 102 -16.811 6.083 3.252 807 HE2 PHE 102 2HE PHE 102 -14.226 5.080 6.491 808 HZ PHE 102 HZ PHE 102 -15.976 6.520 5.527 809 H HIS 103 H HIS 103 -12.190 -0.048 2.270 810 HA HIS 103 HA HIS 103 -13.408 -1.185 -0.006 811 1HB HIS 103 2HB HIS 103 -10.999 -0.716 0.123 812 2HB HIS 103 1HB HIS 103 -10.819 -1.953 1.361 813 HD1 HIS 103 1HD HIS 103 -9.043 -2.722 -0.651 814 HD2 HIS 103 2HD HIS 103 -13.102 -3.377 -1.247 815 HE1 HIS 103 1HE HIS 103 -9.185 -4.474 -2.448 816 HE2 HIS 103 2HE HIS 103 -11.651 -4.785 -2.859 817 H SER 104 H SER 104 -12.339 -2.677 3.048 818 HA SER 104 HA SER 104 -13.139 -5.285 2.491 819 1HB SER 104 2HB SER 104 -11.722 -4.591 4.425 820 2HB SER 104 1HB SER 104 -13.166 -3.950 5.206 821 HG SER 104 HG SER 104 -12.973 -6.634 4.333 822 H ALA 105 H ALA 105 -14.974 -2.574 3.802 823 HA ALA 105 HA ALA 105 -17.329 -4.158 4.281 824 1HB ALA 105 1HB ALA 105 -18.356 -1.815 4.592 825 2HB ALA 105 2HB ALA 105 -16.694 -1.238 4.469 826 3HB ALA 105 3HB ALA 105 -17.144 -2.366 5.748 827 H PHE 106 H PHE 106 -16.305 -1.771 1.865 828 HA PHE 106 HA PHE 106 -18.732 -1.743 0.419 829 1HB PHE 106 2HB PHE 106 -15.909 -0.940 -0.229 830 2HB PHE 106 1HB PHE 106 -17.157 -0.903 -1.469 831 HD1 PHE 106 1HD PHE 106 -17.549 -0.060 2.124 832 HD2 PHE 106 2HD PHE 106 -17.351 1.386 -1.873 833 HE1 PHE 106 1HE PHE 106 -18.250 2.165 2.899 834 HE2 PHE 106 2HE PHE 106 -18.051 3.616 -1.105 835 HZ PHE 106 HZ PHE 106 -18.501 4.008 1.283 836 H LYS 107 H LYS 107 -15.920 -3.815 0.334 837 HA LYS 107 HA LYS 107 -16.526 -5.061 -2.160 838 1HB LYS 107 2HB LYS 107 -14.265 -4.983 -0.973 839 2HB LYS 107 1HB LYS 107 -14.879 -6.272 0.054 840 1HG LYS 107 2HG LYS 107 -15.401 -7.417 -2.252 841 2HG LYS 107 1HG LYS 107 -14.139 -6.326 -2.825 842 1HD LYS 107 2HD LYS 107 -12.848 -7.247 -0.725 843 2HD LYS 107 1HD LYS 107 -13.963 -8.603 -0.907 844 1HE LYS 107 2HE LYS 107 -12.641 -9.428 -2.487 845 2HE LYS 107 1HE LYS 107 -12.995 -8.016 -3.482 846 1HZ LYS 107 1HZ LYS 107 -10.679 -8.088 -3.295 847 2HZ LYS 107 2HZ LYS 107 -10.718 -8.426 -1.639 848 3HZ LYS 107 3HZ LYS 107 -11.149 -6.890 -2.198 849 H SER 108 H SER 108 -16.771 -6.230 1.202 850 HA SER 108 HA SER 108 -18.160 -8.593 0.565 851 1HB SER 108 2HB SER 108 -18.366 -7.118 3.191 852 2HB SER 108 1HB SER 108 -18.510 -8.853 2.909 853 HG SER 108 HG SER 108 -16.443 -8.961 3.197 854 H MET 109 H MET 109 -19.349 -5.482 1.828 855 HA MET 109 HA MET 109 -22.091 -6.309 1.229 856 1HB MET 109 2HB MET 109 -21.248 -5.142 3.425 857 2HB MET 109 1HB MET 109 -21.391 -3.675 2.466 858 1HG MET 109 2HG MET 109 -23.664 -3.785 2.374 859 2HG MET 109 1HG MET 109 -23.696 -5.543 2.516 860 1HE MET 109 1HE MET 109 -23.834 -2.455 5.861 861 2HE MET 109 2HE MET 109 -24.505 -2.330 4.234 862 3HE MET 109 3HE MET 109 -22.760 -2.259 4.476 Start of MODEL 20 1 1H MET -8 1HT MET -8 -0.118 -22.493 2.546 2 2H MET -8 2HT MET -8 -0.353 -22.755 4.225 3 3H MET -8 3HT MET -8 -1.701 -22.705 3.164 4 HA MET -8 HA MET -8 -1.370 -24.920 3.613 5 1HB MET -8 2HB MET -8 -1.504 -24.039 1.164 6 2HB MET -8 1HB MET -8 0.171 -24.563 1.059 7 1HG MET -8 2HG MET -8 -0.483 -26.830 1.638 8 2HG MET -8 1HG MET -8 -2.161 -26.316 1.796 9 1HE MET -8 1HE MET -8 -0.392 -28.381 -1.323 10 2HE MET -8 2HE MET -8 -2.057 -28.724 -0.852 11 3HE MET -8 3HE MET -8 -0.810 -28.553 0.382 12 H GLY -7 H GLY -7 1.695 -23.368 2.736 13 1HA GLY -7 2HA GLY -7 3.163 -24.766 4.708 14 2HA GLY -7 1HA GLY -7 3.403 -25.535 3.146 15 H HIS -6 H HIS -6 4.355 -24.295 1.433 16 HA HIS -6 HA HIS -6 5.936 -22.909 0.568 17 1HB HIS -6 2HB HIS -6 4.795 -21.055 2.663 18 2HB HIS -6 1HB HIS -6 5.978 -20.553 1.459 19 HD1 HIS -6 1HD HIS -6 4.231 -18.875 0.487 20 HD2 HIS -6 2HD HIS -6 3.124 -22.871 0.231 21 HE1 HIS -6 1HE HIS -6 2.297 -18.935 -1.119 22 HE2 HIS -6 2HE HIS -6 1.701 -21.375 -1.325 23 H HIS -5 H HIS -5 7.934 -23.649 0.892 24 HA HIS -5 HA HIS -5 9.110 -23.486 3.570 25 1HB HIS -5 2HB HIS -5 9.406 -25.284 1.287 26 2HB HIS -5 1HB HIS -5 10.953 -24.767 1.946 27 HD1 HIS -5 1HD HIS -5 7.676 -25.938 3.513 28 HD2 HIS -5 2HD HIS -5 11.775 -26.566 3.771 29 HE1 HIS -5 1HE HIS -5 7.980 -27.653 5.326 30 HE2 HIS -5 2HE HIS -5 10.462 -28.081 5.404 31 H HIS -4 H HIS -4 8.757 -21.139 1.848 32 HA HIS -4 HA HIS -4 11.491 -20.173 1.985 33 1HB HIS -4 2HB HIS -4 10.059 -20.675 -0.543 34 2HB HIS -4 1HB HIS -4 10.799 -19.082 -0.417 35 HD1 HIS -4 1HD HIS -4 11.893 -22.679 0.225 36 HD2 HIS -4 2HD HIS -4 13.342 -19.100 -1.310 37 HE1 HIS -4 1HE HIS -4 14.227 -23.181 -0.563 38 HE2 HIS -4 2HE HIS -4 15.054 -21.022 -1.563 39 H HIS -3 H HIS -3 11.613 -18.059 2.537 40 HA HIS -3 HA HIS -3 9.203 -16.748 3.356 41 1HB HIS -3 2HB HIS -3 12.065 -15.771 3.313 42 2HB HIS -3 1HB HIS -3 10.726 -14.928 4.083 43 HD1 HIS -3 1HD HIS -3 10.113 -18.351 4.732 44 HD2 HIS -3 2HD HIS -3 12.755 -15.540 6.276 45 HE1 HIS -3 1HE HIS -3 10.830 -19.257 6.965 46 HE2 HIS -3 2HE HIS -3 12.494 -17.582 7.842 47 H HIS -2 H HIS -2 7.952 -15.492 2.152 48 HA HIS -2 HA HIS -2 8.803 -14.664 -0.478 49 1HB HIS -2 2HB HIS -2 6.281 -14.984 0.938 50 2HB HIS -2 1HB HIS -2 6.330 -13.480 0.023 51 HD1 HIS -2 1HD HIS -2 7.895 -14.438 -2.450 52 HD2 HIS -2 2HD HIS -2 4.765 -16.541 -0.705 53 HE1 HIS -2 1HE HIS -2 6.992 -15.928 -4.263 54 HE2 HIS -2 2HE HIS -2 5.154 -17.253 -3.160 55 H HIS -1 H HIS -1 8.996 -12.551 -1.226 56 HA HIS -1 HA HIS -1 9.076 -10.447 0.828 57 1HB HIS -1 2HB HIS -1 11.158 -11.092 -1.257 58 2HB HIS -1 1HB HIS -1 11.070 -9.518 -0.472 59 HD1 HIS -1 1HD HIS -1 10.551 -10.380 2.421 60 HD2 HIS -1 2HD HIS -1 13.348 -12.180 -0.069 61 HE1 HIS -1 1HE HIS -1 12.223 -11.459 3.958 62 HE2 HIS -1 2HE HIS -1 13.953 -12.467 2.429 63 H MET 0 H MET 0 9.209 -8.219 -0.231 64 HA MET 0 HA MET 0 8.218 -6.616 -1.505 65 1HB MET 0 2HB MET 0 9.518 -8.169 -3.260 66 2HB MET 0 1HB MET 0 7.877 -8.432 -3.831 67 1HG MET 0 2HG MET 0 7.635 -6.299 -4.566 68 2HG MET 0 1HG MET 0 8.723 -5.637 -3.348 69 1HE MET 0 1HE MET 0 8.743 -6.080 -7.320 70 2HE MET 0 2HE MET 0 9.893 -4.777 -7.013 71 3HE MET 0 3HE MET 0 8.356 -4.821 -6.148 72 H GLY 1 H GLY 1 6.357 -6.866 -0.080 73 1HA GLY 1 2HA GLY 1 3.984 -7.599 -1.631 74 2HA GLY 1 1HA GLY 1 4.201 -8.362 -0.065 75 H SER 2 H SER 2 5.217 -5.079 -0.640 76 HA SER 2 HA SER 2 2.872 -4.100 0.841 77 1HB SER 2 2HB SER 2 4.437 -2.484 1.991 78 2HB SER 2 1HB SER 2 4.637 -4.170 2.461 79 HG SER 2 HG SER 2 6.662 -3.438 2.062 80 H ALA 3 H ALA 3 5.632 -3.207 -1.202 81 HA ALA 3 HA ALA 3 4.565 -0.657 -1.913 82 1HB ALA 3 1HB ALA 3 6.524 -0.315 -2.979 83 2HB ALA 3 2HB ALA 3 6.521 -1.913 -3.726 84 3HB ALA 3 3HB ALA 3 7.030 -1.726 -2.048 85 H GLY 4 H GLY 4 4.439 -3.881 -3.305 86 1HA GLY 4 2HA GLY 4 3.332 -3.055 -5.810 87 2HA GLY 4 1HA GLY 4 3.382 -4.696 -5.185 88 H THR 5 H THR 5 1.995 -3.865 -2.693 89 HA THR 5 HA THR 5 -0.648 -4.408 -3.521 90 HB THR 5 HB THR 5 -0.000 -3.159 -0.869 91 HG1 THR 5 1HG THR 5 0.558 -5.829 -1.640 92 1HG2 THR 5 1HG2 THR 5 -2.090 -4.933 -1.938 93 2HG2 THR 5 2HG2 THR 5 -2.165 -3.716 -0.663 94 3HG2 THR 5 3HG2 THR 5 -1.495 -5.310 -0.323 95 H GLN 6 H GLN 6 1.109 -1.455 -3.030 96 HA GLN 6 HA GLN 6 -0.993 0.340 -2.637 97 1HB GLN 6 2HB GLN 6 1.368 0.946 -2.358 98 2HB GLN 6 1HB GLN 6 1.620 0.786 -4.090 99 1HG GLN 6 2HG GLN 6 1.380 3.046 -3.892 100 2HG GLN 6 1HG GLN 6 -0.282 2.568 -4.238 101 1HE2 GLN 6 1HE2 GLN 6 -1.025 4.476 -3.251 102 2HE2 GLN 6 2HE2 GLN 6 -1.071 4.640 -1.532 103 H GLU 7 H GLU 7 0.223 -1.167 -5.553 104 HA GLU 7 HA GLU 7 -1.004 0.510 -7.441 105 1HB GLU 7 2HB GLU 7 0.635 -1.706 -7.531 106 2HB GLU 7 1HB GLU 7 -0.866 -2.305 -8.227 107 1HG GLU 7 2HG GLU 7 -0.658 -1.062 -10.088 108 2HG GLU 7 1HG GLU 7 0.045 0.307 -9.227 109 H GLU 8 H GLU 8 -2.149 -2.508 -5.939 110 HA GLU 8 HA GLU 8 -4.593 -2.608 -7.344 111 1HB GLU 8 2HB GLU 8 -5.282 -4.266 -5.721 112 2HB GLU 8 1HB GLU 8 -3.608 -4.547 -6.176 113 1HG GLU 8 2HG GLU 8 -2.837 -4.142 -4.108 114 2HG GLU 8 1HG GLU 8 -4.003 -2.856 -3.805 115 H LEU 9 H LEU 9 -3.601 -0.940 -4.440 116 HA LEU 9 HA LEU 9 -6.227 -0.303 -3.531 117 1HB LEU 9 2HB LEU 9 -3.739 -0.157 -2.437 118 2HB LEU 9 1HB LEU 9 -4.036 1.530 -2.810 119 HG LEU 9 HG LEU 9 -4.710 1.145 -0.552 120 1HD1 LEU 9 1HD1 LEU 9 -6.301 2.310 -2.382 121 2HD1 LEU 9 2HD1 LEU 9 -6.670 2.251 -0.659 122 3HD1 LEU 9 3HD1 LEU 9 -7.397 1.078 -1.756 123 1HD2 LEU 9 1HD2 LEU 9 -5.101 -1.052 -0.152 124 2HD2 LEU 9 2HD2 LEU 9 -5.910 -1.305 -1.699 125 3HD2 LEU 9 3HD2 LEU 9 -6.774 -0.536 -0.366 126 H LEU 10 H LEU 10 -3.837 1.345 -5.540 127 HA LEU 10 HA LEU 10 -5.165 3.820 -5.732 128 1HB LEU 10 2HB LEU 10 -2.774 2.841 -6.586 129 2HB LEU 10 1HB LEU 10 -3.651 2.944 -8.100 130 HG LEU 10 HG LEU 10 -3.693 5.330 -6.322 131 1HD1 LEU 10 1HD1 LEU 10 -1.413 5.037 -6.143 132 2HD1 LEU 10 2HD1 LEU 10 -1.542 6.013 -7.607 133 3HD1 LEU 10 3HD1 LEU 10 -1.279 4.274 -7.727 134 1HD2 LEU 10 1HD2 LEU 10 -3.484 4.944 -9.307 135 2HD2 LEU 10 2HD2 LEU 10 -3.659 6.488 -8.472 136 3HD2 LEU 10 3HD2 LEU 10 -4.959 5.297 -8.407 137 H ARG 11 H ARG 11 -5.325 0.902 -7.732 138 HA ARG 11 HA ARG 11 -7.043 1.973 -9.705 139 1HB ARG 11 2HB ARG 11 -6.727 -0.913 -8.863 140 2HB ARG 11 1HB ARG 11 -7.424 -0.345 -10.374 141 1HG ARG 11 2HG ARG 11 -4.580 0.151 -9.525 142 2HG ARG 11 1HG ARG 11 -5.097 -1.165 -10.581 143 1HD ARG 11 2HD ARG 11 -5.629 0.259 -12.319 144 2HD ARG 11 1HD ARG 11 -5.847 1.644 -11.251 145 HE ARG 11 HE ARG 11 -3.145 0.659 -11.363 146 1HH1 ARG 11 1HH1 ARG 11 -5.482 2.808 -12.812 147 2HH1 ARG 11 2HH1 ARG 11 -4.283 3.852 -13.496 148 1HH2 ARG 11 1HH2 ARG 11 -1.566 2.033 -12.264 149 2HH2 ARG 11 2HH2 ARG 11 -2.060 3.413 -13.187 150 H TRP 12 H TRP 12 -7.637 0.316 -6.653 151 HA TRP 12 HA TRP 12 -10.398 -0.098 -6.975 152 1HB TRP 12 2HB TRP 12 -9.006 -1.183 -5.227 153 2HB TRP 12 1HB TRP 12 -8.889 0.364 -4.394 154 HD1 TRP 12 HD TRP 12 -11.383 -2.441 -5.160 155 HE1 TRP 12 1HE TRP 12 -13.379 -2.225 -3.550 156 HE3 TRP 12 3HE TRP 12 -10.190 2.029 -2.984 157 HZ2 TRP 12 2HZ TRP 12 -14.323 -0.400 -1.613 158 HZ3 TRP 12 3HZ TRP 12 -11.692 2.941 -1.262 159 HH2 TRP 12 HH TRP 12 -13.716 1.750 -0.592 160 H CYS 13 H CYS 13 -8.560 2.638 -5.701 161 HA CYS 13 HA CYS 13 -10.786 4.108 -4.761 162 1HB CYS 13 2HB CYS 13 -8.303 4.455 -4.219 163 2HB CYS 13 1HB CYS 13 -8.218 5.341 -5.738 164 HG CYS 13 HG CYS 13 -10.164 6.900 -4.587 165 H GLN 14 H GLN 14 -8.984 4.193 -7.818 166 HA GLN 14 HA GLN 14 -10.441 6.307 -8.980 167 1HB GLN 14 2HB GLN 14 -8.258 5.576 -9.827 168 2HB GLN 14 1HB GLN 14 -8.956 4.038 -10.320 169 1HG GLN 14 2HG GLN 14 -10.389 5.183 -11.917 170 2HG GLN 14 1HG GLN 14 -9.731 6.737 -11.406 171 1HE2 GLN 14 1HE2 GLN 14 -9.343 4.030 -13.421 172 2HE2 GLN 14 2HE2 GLN 14 -7.827 4.473 -14.124 173 H GLU 15 H GLU 15 -10.922 2.815 -8.958 174 HA GLU 15 HA GLU 15 -13.006 2.751 -10.870 175 1HB GLU 15 2HB GLU 15 -11.551 0.837 -9.727 176 2HB GLU 15 1HB GLU 15 -12.947 0.754 -8.659 177 1HG GLU 15 2HG GLU 15 -13.028 0.490 -11.656 178 2HG GLU 15 1HG GLU 15 -13.080 -0.846 -10.506 179 H GLN 16 H GLN 16 -13.012 2.912 -7.328 180 HA GLN 16 HA GLN 16 -15.833 2.896 -7.055 181 1HB GLN 16 2HB GLN 16 -13.604 2.869 -5.335 182 2HB GLN 16 1HB GLN 16 -14.533 4.294 -4.892 183 1HG GLN 16 2HG GLN 16 -15.331 2.554 -3.537 184 2HG GLN 16 1HG GLN 16 -16.554 2.792 -4.784 185 1HE2 GLN 16 1HE2 GLN 16 -15.898 0.454 -3.106 186 2HE2 GLN 16 2HE2 GLN 16 -15.617 -0.843 -4.212 187 H THR 17 H THR 17 -13.452 5.437 -7.482 188 HA THR 17 HA THR 17 -15.422 7.532 -7.081 189 HB THR 17 HB THR 17 -12.522 7.714 -7.914 190 HG1 THR 17 1HG THR 17 -12.799 6.870 -5.815 191 1HG2 THR 17 1HG2 THR 17 -14.570 9.775 -7.311 192 2HG2 THR 17 2HG2 THR 17 -13.257 9.790 -8.488 193 3HG2 THR 17 3HG2 THR 17 -12.909 10.044 -6.778 194 H ALA 18 H ALA 18 -15.032 5.482 -9.508 195 HA ALA 18 HA ALA 18 -14.857 7.282 -11.747 196 1HB ALA 18 1HB ALA 18 -15.422 5.236 -13.071 197 2HB ALA 18 2HB ALA 18 -15.518 4.350 -11.548 198 3HB ALA 18 3HB ALA 18 -13.992 5.079 -12.050 199 H GLY 19 H GLY 19 -16.518 7.816 -13.194 200 1HA GLY 19 2HA GLY 19 -18.869 7.492 -13.861 201 2HA GLY 19 1HA GLY 19 -19.250 7.390 -12.149 202 H TYR 20 H TYR 20 -17.421 9.593 -11.466 203 HA TYR 20 HA TYR 20 -19.262 11.754 -12.032 204 1HB TYR 20 2HB TYR 20 -16.726 11.880 -10.398 205 2HB TYR 20 1HB TYR 20 -18.090 12.990 -10.345 206 HD1 TYR 20 1HD TYR 20 -19.938 12.575 -8.929 207 HD2 TYR 20 2HD TYR 20 -17.036 9.529 -9.551 208 HE1 TYR 20 1HE TYR 20 -20.943 11.254 -7.115 209 HE2 TYR 20 2HE TYR 20 -18.034 8.200 -7.739 210 HH TYR 20 HH TYR 20 -19.427 8.648 -5.679 211 HA PRO 21 HA PRO 21 -16.659 13.138 -15.413 212 1HB PRO 21 2HB PRO 21 -18.170 15.232 -16.184 213 2HB PRO 21 1HB PRO 21 -18.640 13.561 -16.519 214 1HG PRO 21 2HG PRO 21 -19.587 15.394 -14.349 215 2HG PRO 21 1HG PRO 21 -20.529 14.299 -15.380 216 1HD PRO 21 2HD PRO 21 -19.793 13.683 -12.830 217 2HD PRO 21 1HD PRO 21 -20.028 12.460 -14.095 218 H GLY 22 H GLY 22 -14.816 14.193 -15.034 219 1HA GLY 22 2HA GLY 22 -13.705 16.330 -14.867 220 2HA GLY 22 1HA GLY 22 -14.964 16.843 -13.753 221 H VAL 23 H VAL 23 -14.858 14.241 -12.327 222 HA VAL 23 HA VAL 23 -12.801 14.974 -10.461 223 HB VAL 23 HB VAL 23 -14.513 12.488 -10.411 224 1HG1 VAL 23 1HG1 VAL 23 -13.787 12.133 -8.297 225 2HG1 VAL 23 2HG1 VAL 23 -13.616 13.853 -7.949 226 3HG1 VAL 23 3HG1 VAL 23 -12.378 13.017 -8.885 227 1HG2 VAL 23 1HG2 VAL 23 -15.925 14.479 -10.594 228 2HG2 VAL 23 2HG2 VAL 23 -15.096 15.194 -9.212 229 3HG2 VAL 23 3HG2 VAL 23 -16.063 13.736 -9.001 230 H HIS 24 H HIS 24 -10.771 14.345 -10.557 231 HA HIS 24 HA HIS 24 -10.081 11.951 -12.113 232 1HB HIS 24 2HB HIS 24 -8.493 14.402 -11.363 233 2HB HIS 24 1HB HIS 24 -7.734 12.954 -12.015 234 HD1 HIS 24 1HD HIS 24 -8.176 15.970 -13.297 235 HD2 HIS 24 2HD HIS 24 -9.910 12.365 -14.425 236 HE1 HIS 24 1HE HIS 24 -8.872 16.280 -15.693 237 HE2 HIS 24 2HE HIS 24 -9.854 14.064 -16.377 238 H VAL 25 H VAL 25 -8.937 10.285 -11.223 239 HA VAL 25 HA VAL 25 -8.250 10.514 -8.367 240 HB VAL 25 HB VAL 25 -9.365 8.027 -9.662 241 1HG1 VAL 25 1HG1 VAL 25 -9.067 6.973 -7.696 242 2HG1 VAL 25 2HG1 VAL 25 -9.473 8.404 -6.749 243 3HG1 VAL 25 3HG1 VAL 25 -7.854 8.224 -7.425 244 1HG2 VAL 25 1HG2 VAL 25 -11.046 9.270 -7.654 245 2HG2 VAL 25 2HG2 VAL 25 -11.453 8.706 -9.273 246 3HG2 VAL 25 3HG2 VAL 25 -10.792 10.324 -9.044 247 H SER 26 H SER 26 -6.062 10.857 -8.854 248 HA SER 26 HA SER 26 -4.597 8.421 -9.403 249 1HB SER 26 2HB SER 26 -4.756 10.665 -11.326 250 2HB SER 26 1HB SER 26 -3.137 10.042 -11.012 251 HG SER 26 HG SER 26 -5.311 8.344 -11.632 252 H ASP 27 H ASP 27 -5.046 10.499 -7.256 253 HA ASP 27 HA ASP 27 -2.215 10.857 -6.599 254 1HB ASP 27 2HB ASP 27 -4.280 13.027 -6.185 255 2HB ASP 27 1HB ASP 27 -2.557 13.124 -5.833 256 H LEU 28 H LEU 28 -1.721 10.447 -4.506 257 HA LEU 28 HA LEU 28 -3.913 9.540 -2.798 258 1HB LEU 28 2HB LEU 28 -0.984 9.003 -2.934 259 2HB LEU 28 1HB LEU 28 -1.795 8.813 -1.390 260 HG LEU 28 HG LEU 28 -1.578 6.702 -2.684 261 1HD1 LEU 28 1HD1 LEU 28 -3.238 6.406 -1.176 262 2HD1 LEU 28 2HD1 LEU 28 -4.221 6.327 -2.639 263 3HD1 LEU 28 3HD1 LEU 28 -4.133 7.827 -1.715 264 1HD2 LEU 28 1HD2 LEU 28 -2.610 6.341 -4.715 265 2HD2 LEU 28 2HD2 LEU 28 -2.040 8.001 -4.890 266 3HD2 LEU 28 3HD2 LEU 28 -3.731 7.686 -4.504 267 H SER 29 H SER 29 -3.624 12.334 -3.135 268 HA SER 29 HA SER 29 -3.554 13.145 -0.405 269 1HB SER 29 2HB SER 29 -1.215 13.771 -2.169 270 2HB SER 29 1HB SER 29 -1.731 14.955 -0.968 271 HG SER 29 HG SER 29 -1.620 13.096 0.546 272 H SER 30 H SER 30 -2.769 14.842 -3.440 273 HA SER 30 HA SER 30 -4.393 17.053 -2.955 274 1HB SER 30 2HB SER 30 -2.545 16.576 -4.785 275 2HB SER 30 1HB SER 30 -3.944 16.151 -5.770 276 HG SER 30 HG SER 30 -4.722 18.201 -5.550 277 H SER 31 H SER 31 -5.100 14.052 -4.693 278 HA SER 31 HA SER 31 -7.582 14.714 -5.744 279 1HB SER 31 2HB SER 31 -6.019 12.369 -5.474 280 2HB SER 31 1HB SER 31 -7.626 11.980 -4.868 281 HG SER 31 HG SER 31 -8.333 12.023 -6.838 282 H TRP 32 H TRP 32 -6.688 14.058 -2.464 283 HA TRP 32 HA TRP 32 -9.489 13.774 -1.663 284 1HB TRP 32 2HB TRP 32 -7.021 13.537 0.065 285 2HB TRP 32 1HB TRP 32 -8.662 13.047 0.481 286 HD1 TRP 32 HD TRP 32 -5.960 12.105 -2.146 287 HE1 TRP 32 1HE TRP 32 -6.143 9.578 -2.596 288 HE3 TRP 32 3HE TRP 32 -9.997 11.046 0.806 289 HZ2 TRP 32 2HZ TRP 32 -7.784 7.421 -1.805 290 HZ3 TRP 32 3HZ TRP 32 -10.811 8.728 0.903 291 HH2 TRP 32 HH TRP 32 -9.726 6.953 -0.375 292 H ALA 33 H ALA 33 -7.485 16.273 -2.249 293 HA ALA 33 HA ALA 33 -7.513 17.906 -0.010 294 1HB ALA 33 1HB ALA 33 -6.907 19.642 -1.402 295 2HB ALA 33 2HB ALA 33 -7.934 19.084 -2.722 296 3HB ALA 33 3HB ALA 33 -6.434 18.235 -2.354 297 H ASP 34 H ASP 34 -9.851 18.025 -2.714 298 HA ASP 34 HA ASP 34 -11.662 19.649 -1.174 299 1HB ASP 34 2HB ASP 34 -13.158 19.389 -3.177 300 2HB ASP 34 1HB ASP 34 -11.571 20.065 -3.534 301 H GLY 35 H GLY 35 -10.985 16.416 -1.091 302 1HA GLY 35 2HA GLY 35 -12.047 14.724 0.062 303 2HA GLY 35 1HA GLY 35 -13.369 15.835 0.394 304 H LEU 36 H LEU 36 -12.299 15.264 -2.868 305 HA LEU 36 HA LEU 36 -14.890 14.493 -3.711 306 1HB LEU 36 2HB LEU 36 -12.301 15.007 -4.935 307 2HB LEU 36 1HB LEU 36 -13.148 13.686 -5.717 308 HG LEU 36 HG LEU 36 -13.542 15.921 -6.754 309 1HD1 LEU 36 1HD1 LEU 36 -16.142 14.942 -5.661 310 2HD1 LEU 36 2HD1 LEU 36 -15.167 13.889 -6.687 311 3HD1 LEU 36 3HD1 LEU 36 -15.728 15.445 -7.300 312 1HD2 LEU 36 1HD2 LEU 36 -15.520 16.821 -4.872 313 2HD2 LEU 36 2HD2 LEU 36 -14.142 17.688 -5.549 314 3HD2 LEU 36 3HD2 LEU 36 -13.940 16.712 -4.095 315 H ALA 37 H ALA 37 -11.918 12.677 -3.088 316 HA ALA 37 HA ALA 37 -12.765 10.184 -4.037 317 1HB ALA 37 1HB ALA 37 -11.077 9.360 -2.215 318 2HB ALA 37 2HB ALA 37 -10.701 11.078 -2.081 319 3HB ALA 37 3HB ALA 37 -10.506 10.250 -3.626 320 H LEU 38 H LEU 38 -12.977 11.579 -0.773 321 HA LEU 38 HA LEU 38 -14.225 9.327 0.404 322 1HB LEU 38 2HB LEU 38 -14.411 12.203 1.299 323 2HB LEU 38 1HB LEU 38 -14.687 10.776 2.282 324 HG LEU 38 HG LEU 38 -12.017 10.998 1.020 325 1HD1 LEU 38 1HD1 LEU 38 -13.109 13.002 2.906 326 2HD1 LEU 38 2HD1 LEU 38 -11.865 13.166 1.667 327 3HD1 LEU 38 3HD1 LEU 38 -11.478 12.405 3.210 328 1HD2 LEU 38 1HD2 LEU 38 -12.082 9.176 2.383 329 2HD2 LEU 38 2HD2 LEU 38 -13.261 9.896 3.479 330 3HD2 LEU 38 3HD2 LEU 38 -11.568 10.381 3.562 331 H CYS 39 H CYS 39 -15.512 12.367 -0.899 332 HA CYS 39 HA CYS 39 -18.209 11.901 -0.284 333 1HB CYS 39 2HB CYS 39 -16.688 13.849 -1.719 334 2HB CYS 39 1HB CYS 39 -18.065 13.380 -2.709 335 HG CYS 39 HG CYS 39 -18.186 14.973 -0.100 336 H ALA 40 H ALA 40 -16.342 11.178 -3.212 337 HA ALA 40 HA ALA 40 -18.404 10.191 -4.799 338 1HB ALA 40 1HB ALA 40 -15.593 9.114 -4.802 339 2HB ALA 40 2HB ALA 40 -16.034 10.674 -5.496 340 3HB ALA 40 3HB ALA 40 -16.729 9.191 -6.149 341 H LEU 41 H LEU 41 -16.389 8.518 -2.410 342 HA LEU 41 HA LEU 41 -17.329 5.918 -2.893 343 1HB LEU 41 2HB LEU 41 -16.205 7.204 -0.411 344 2HB LEU 41 1HB LEU 41 -16.582 5.496 -0.513 345 HG LEU 41 HG LEU 41 -14.746 6.706 -2.538 346 1HD1 LEU 41 1HD1 LEU 41 -12.978 5.762 -0.768 347 2HD1 LEU 41 2HD1 LEU 41 -14.210 6.353 0.346 348 3HD1 LEU 41 3HD1 LEU 41 -13.476 7.452 -0.822 349 1HD2 LEU 41 1HD2 LEU 41 -15.165 3.994 -1.311 350 2HD2 LEU 41 2HD2 LEU 41 -13.733 4.390 -2.261 351 3HD2 LEU 41 3HD2 LEU 41 -15.331 4.475 -2.999 352 H VAL 42 H VAL 42 -18.349 8.284 -0.431 353 HA VAL 42 HA VAL 42 -20.414 6.729 0.665 354 HB VAL 42 HB VAL 42 -20.309 9.747 0.541 355 1HG1 VAL 42 1HG1 VAL 42 -22.355 8.177 1.411 356 2HG1 VAL 42 2HG1 VAL 42 -22.018 9.805 1.998 357 3HG1 VAL 42 3HG1 VAL 42 -21.430 8.404 2.896 358 1HG2 VAL 42 1HG2 VAL 42 -19.155 7.889 2.620 359 2HG2 VAL 42 2HG2 VAL 42 -19.147 9.650 2.675 360 3HG2 VAL 42 3HG2 VAL 42 -18.225 8.806 1.435 361 H TYR 43 H TYR 43 -20.527 9.282 -1.812 362 HA TYR 43 HA TYR 43 -23.270 9.261 -2.279 363 1HB TYR 43 2HB TYR 43 -21.647 10.937 -3.169 364 2HB TYR 43 1HB TYR 43 -21.113 9.741 -4.345 365 HD1 TYR 43 1HD TYR 43 -22.298 9.416 -6.360 366 HD2 TYR 43 2HD TYR 43 -24.046 11.726 -3.243 367 HE1 TYR 43 1HE TYR 43 -24.080 10.131 -7.897 368 HE2 TYR 43 2HE TYR 43 -25.834 12.445 -4.770 369 HH TYR 43 HH TYR 43 -26.855 11.220 -7.118 370 H ARG 44 H ARG 44 -20.728 7.199 -3.580 371 HA ARG 44 HA ARG 44 -22.251 5.921 -5.569 372 1HB ARG 44 2HB ARG 44 -19.650 5.596 -4.334 373 2HB ARG 44 1HB ARG 44 -20.399 4.036 -4.644 374 1HG ARG 44 2HG ARG 44 -20.874 5.191 -6.999 375 2HG ARG 44 1HG ARG 44 -19.426 6.089 -6.536 376 1HD ARG 44 2HD ARG 44 -18.915 4.073 -7.861 377 2HD ARG 44 1HD ARG 44 -18.194 4.031 -6.252 378 HE ARG 44 HE ARG 44 -19.458 2.187 -5.786 379 1HH1 ARG 44 1HH1 ARG 44 -20.849 3.814 -8.542 380 2HH1 ARG 44 2HH1 ARG 44 -22.006 2.565 -8.853 381 1HH2 ARG 44 1HH2 ARG 44 -20.980 0.543 -6.194 382 2HH2 ARG 44 2HH2 ARG 44 -22.081 0.707 -7.519 383 H LEU 45 H LEU 45 -21.714 5.135 -2.157 384 HA LEU 45 HA LEU 45 -23.324 2.749 -2.300 385 1HB LEU 45 2HB LEU 45 -21.846 4.201 -0.152 386 2HB LEU 45 1HB LEU 45 -23.081 3.043 0.307 387 HG LEU 45 HG LEU 45 -21.880 1.302 -1.001 388 1HD1 LEU 45 1HD1 LEU 45 -19.827 3.485 -1.311 389 2HD1 LEU 45 2HD1 LEU 45 -20.722 2.674 -2.597 390 3HD1 LEU 45 3HD1 LEU 45 -19.536 1.778 -1.645 391 1HD2 LEU 45 1HD2 LEU 45 -21.519 1.884 1.492 392 2HD2 LEU 45 2HD2 LEU 45 -19.961 2.507 0.953 393 3HD2 LEU 45 3HD2 LEU 45 -20.373 0.812 0.690 394 H GLN 46 H GLN 46 -23.720 6.065 -1.191 395 HA GLN 46 HA GLN 46 -26.615 5.629 -1.088 396 1HB GLN 46 2HB GLN 46 -24.872 6.394 1.169 397 2HB GLN 46 1HB GLN 46 -26.312 7.386 0.967 398 1HG GLN 46 2HG GLN 46 -26.375 4.384 1.110 399 2HG GLN 46 1HG GLN 46 -26.543 5.433 2.518 400 1HE2 GLN 46 1HE2 GLN 46 -28.336 6.925 2.546 401 2HE2 GLN 46 2HE2 GLN 46 -29.799 6.515 1.723 402 HA PRO 47 HA PRO 47 -25.375 9.470 -3.404 403 1HB PRO 47 2HB PRO 47 -26.861 8.974 -5.610 404 2HB PRO 47 1HB PRO 47 -25.232 8.326 -5.397 405 1HG PRO 47 2HG PRO 47 -27.873 6.988 -4.961 406 2HG PRO 47 1HG PRO 47 -26.413 6.353 -5.741 407 1HD PRO 47 2HD PRO 47 -27.092 5.755 -3.182 408 2HD PRO 47 1HD PRO 47 -25.408 5.847 -3.733 409 H GLY 48 H GLY 48 -28.429 7.920 -2.691 410 1HA GLY 48 2HA GLY 48 -30.107 10.123 -3.334 411 2HA GLY 48 1HA GLY 48 -30.538 8.754 -2.320 412 H LEU 49 H LEU 49 -28.477 9.114 -0.371 413 HA LEU 49 HA LEU 49 -29.600 11.447 1.011 414 1HB LEU 49 2HB LEU 49 -28.981 8.778 1.812 415 2HB LEU 49 1HB LEU 49 -27.994 9.880 2.755 416 HG LEU 49 HG LEU 49 -30.915 10.439 2.513 417 1HD1 LEU 49 1HD1 LEU 49 -29.717 8.370 4.351 418 2HD1 LEU 49 2HD1 LEU 49 -30.859 8.072 3.039 419 3HD1 LEU 49 3HD1 LEU 49 -31.360 9.002 4.451 420 1HD2 LEU 49 1HD2 LEU 49 -30.585 11.331 4.753 421 2HD2 LEU 49 2HD2 LEU 49 -29.419 12.029 3.627 422 3HD2 LEU 49 3HD2 LEU 49 -28.915 10.763 4.747 423 H LEU 50 H LEU 50 -27.476 11.651 -0.998 424 HA LEU 50 HA LEU 50 -25.517 13.035 0.681 425 1HB LEU 50 2HB LEU 50 -24.999 10.756 -1.110 426 2HB LEU 50 1HB LEU 50 -23.907 12.112 -1.307 427 HG LEU 50 HG LEU 50 -22.928 10.539 0.222 428 1HD1 LEU 50 1HD1 LEU 50 -23.948 12.734 1.987 429 2HD1 LEU 50 2HD1 LEU 50 -22.845 13.069 0.652 430 3HD1 LEU 50 3HD1 LEU 50 -22.352 11.984 1.951 431 1HD2 LEU 50 1HD2 LEU 50 -24.878 10.823 2.376 432 2HD2 LEU 50 2HD2 LEU 50 -24.042 9.389 1.784 433 3HD2 LEU 50 3HD2 LEU 50 -25.499 9.955 0.971 434 H GLU 51 H GLU 51 -24.098 14.491 -0.652 435 HA GLU 51 HA GLU 51 -25.131 15.330 -3.217 436 1HB GLU 51 2HB GLU 51 -25.661 16.840 -0.708 437 2HB GLU 51 1HB GLU 51 -25.213 17.773 -2.130 438 1HG GLU 51 2HG GLU 51 -27.187 15.863 -2.878 439 2HG GLU 51 1HG GLU 51 -27.739 16.719 -1.440 440 HA PRO 52 HA PRO 52 -20.517 15.815 -2.233 441 1HB PRO 52 2HB PRO 52 -19.766 14.558 -4.572 442 2HB PRO 52 1HB PRO 52 -19.926 13.754 -3.006 443 1HG PRO 52 2HG PRO 52 -21.880 13.892 -5.270 444 2HG PRO 52 1HG PRO 52 -21.431 12.503 -4.262 445 1HD PRO 52 2HD PRO 52 -23.701 13.828 -3.820 446 2HD PRO 52 1HD PRO 52 -22.717 13.241 -2.462 447 H SER 53 H SER 53 -22.394 16.187 -5.211 448 HA SER 53 HA SER 53 -20.669 17.802 -6.654 449 1HB SER 53 2HB SER 53 -22.875 16.811 -7.426 450 2HB SER 53 1HB SER 53 -23.668 18.163 -6.615 451 HG SER 53 HG SER 53 -22.321 19.542 -7.957 452 H GLU 54 H GLU 54 -22.880 18.657 -4.057 453 HA GLU 54 HA GLU 54 -22.597 21.474 -4.365 454 1HB GLU 54 2HB GLU 54 -24.265 19.822 -2.931 455 2HB GLU 54 1HB GLU 54 -23.271 20.543 -1.673 456 1HG GLU 54 2HG GLU 54 -23.830 22.782 -2.770 457 2HG GLU 54 1HG GLU 54 -25.092 21.897 -3.627 458 H LEU 55 H LEU 55 -21.195 19.153 -2.056 459 HA LEU 55 HA LEU 55 -19.501 21.148 -0.872 460 1HB LEU 55 2HB LEU 55 -19.217 18.177 -0.543 461 2HB LEU 55 1HB LEU 55 -18.747 19.443 0.575 462 HG LEU 55 HG LEU 55 -21.619 19.406 -0.027 463 1HD1 LEU 55 1HD1 LEU 55 -21.165 16.999 -0.103 464 2HD1 LEU 55 2HD1 LEU 55 -22.115 17.445 1.315 465 3HD1 LEU 55 3HD1 LEU 55 -20.393 17.100 1.479 466 1HD2 LEU 55 1HD2 LEU 55 -21.028 20.806 1.710 467 2HD2 LEU 55 2HD2 LEU 55 -19.830 19.683 2.351 468 3HD2 LEU 55 3HD2 LEU 55 -21.550 19.359 2.572 469 H GLN 56 H GLN 56 -19.278 19.344 -3.697 470 HA GLN 56 HA GLN 56 -16.585 18.611 -3.768 471 1HB GLN 56 2HB GLN 56 -18.227 17.826 -5.403 472 2HB GLN 56 1HB GLN 56 -18.386 19.456 -6.041 473 1HG GLN 56 2HG GLN 56 -15.690 19.006 -6.229 474 2HG GLN 56 1HG GLN 56 -16.375 17.419 -6.576 475 1HE2 GLN 56 1HE2 GLN 56 -16.801 20.837 -7.411 476 2HE2 GLN 56 2HE2 GLN 56 -17.174 20.564 -9.076 477 H GLY 57 H GLY 57 -18.128 21.700 -4.458 478 1HA GLY 57 2HA GLY 57 -15.422 22.836 -4.820 479 2HA GLY 57 1HA GLY 57 -16.809 23.393 -5.743 480 H LEU 58 H LEU 58 -18.178 22.877 -2.880 481 HA LEU 58 HA LEU 58 -18.198 25.641 -2.197 482 1HB LEU 58 2HB LEU 58 -19.629 23.243 -1.430 483 2HB LEU 58 1HB LEU 58 -19.266 24.242 -0.035 484 HG LEU 58 HG LEU 58 -20.202 26.133 -1.686 485 1HD1 LEU 58 1HD1 LEU 58 -21.931 25.417 -3.078 486 2HD1 LEU 58 2HD1 LEU 58 -21.973 23.810 -2.353 487 3HD1 LEU 58 3HD1 LEU 58 -20.626 24.273 -3.393 488 1HD2 LEU 58 1HD2 LEU 58 -22.499 25.545 -0.587 489 2HD2 LEU 58 2HD2 LEU 58 -21.140 26.055 0.414 490 3HD2 LEU 58 3HD2 LEU 58 -21.547 24.344 0.285 491 H GLY 59 H GLY 59 -16.406 22.865 -1.104 492 1HA GLY 59 2HA GLY 59 -14.354 24.260 0.079 493 2HA GLY 59 1HA GLY 59 -15.529 24.019 1.362 494 H ALA 60 H ALA 60 -12.802 22.978 1.069 495 HA ALA 60 HA ALA 60 -13.003 20.177 0.495 496 1HB ALA 60 1HB ALA 60 -10.865 20.920 0.119 497 2HB ALA 60 2HB ALA 60 -10.691 20.249 1.741 498 3HB ALA 60 3HB ALA 60 -10.874 21.990 1.521 499 H LEU 61 H LEU 61 -12.387 21.995 3.503 500 HA LEU 61 HA LEU 61 -12.595 19.812 5.240 501 1HB LEU 61 2HB LEU 61 -12.637 22.749 5.487 502 2HB LEU 61 1HB LEU 61 -13.422 21.884 6.793 503 HG LEU 61 HG LEU 61 -11.146 20.495 6.730 504 1HD1 LEU 61 1HD1 LEU 61 -9.249 21.864 6.231 505 2HD1 LEU 61 2HD1 LEU 61 -10.281 23.245 5.862 506 3HD1 LEU 61 3HD1 LEU 61 -10.296 21.829 4.810 507 1HD2 LEU 61 1HD2 LEU 61 -12.310 22.200 8.453 508 2HD2 LEU 61 2HD2 LEU 61 -10.844 23.103 8.070 509 3HD2 LEU 61 3HD2 LEU 61 -10.729 21.469 8.723 510 H GLU 62 H GLU 62 -15.038 21.994 3.950 511 HA GLU 62 HA GLU 62 -17.175 21.181 5.595 512 1HB GLU 62 2HB GLU 62 -16.949 23.185 3.918 513 2HB GLU 62 1HB GLU 62 -17.616 22.041 2.760 514 1HG GLU 62 2HG GLU 62 -19.464 21.682 4.518 515 2HG GLU 62 1HG GLU 62 -18.880 23.194 5.210 516 H ALA 63 H ALA 63 -16.135 20.089 2.379 517 HA ALA 63 HA ALA 63 -18.187 18.197 2.004 518 1HB ALA 63 1HB ALA 63 -17.018 17.488 0.123 519 2HB ALA 63 2HB ALA 63 -15.449 17.870 0.833 520 3HB ALA 63 3HB ALA 63 -16.516 19.169 0.300 521 H THR 64 H THR 64 -14.943 17.924 3.391 522 HA THR 64 HA THR 64 -14.967 15.127 3.750 523 HB THR 64 HB THR 64 -13.297 15.901 5.703 524 HG1 THR 64 1HG THR 64 -13.533 18.046 5.667 525 1HG2 THR 64 1HG2 THR 64 -12.948 14.975 3.173 526 2HG2 THR 64 2HG2 THR 64 -11.651 15.336 4.312 527 3HG2 THR 64 3HG2 THR 64 -12.123 16.533 3.107 528 H ALA 65 H ALA 65 -15.695 17.778 6.010 529 HA ALA 65 HA ALA 65 -16.353 16.177 8.212 530 1HB ALA 65 1HB ALA 65 -16.852 18.115 9.255 531 2HB ALA 65 2HB ALA 65 -17.843 18.705 7.919 532 3HB ALA 65 3HB ALA 65 -16.086 18.830 7.836 533 H TRP 66 H TRP 66 -18.377 17.485 5.611 534 HA TRP 66 HA TRP 66 -20.835 16.526 6.639 535 1HB TRP 66 2HB TRP 66 -20.175 18.220 4.637 536 2HB TRP 66 1HB TRP 66 -20.564 16.780 3.702 537 HD1 TRP 66 HD TRP 66 -22.182 19.293 6.121 538 HE1 TRP 66 1HE TRP 66 -24.734 19.192 5.809 539 HE3 TRP 66 3HE TRP 66 -22.452 15.323 2.909 540 HZ2 TRP 66 2HZ TRP 66 -26.614 17.636 4.389 541 HZ3 TRP 66 3HZ TRP 66 -24.666 14.591 2.122 542 HH2 TRP 66 HH TRP 66 -26.702 15.725 2.849 543 H ALA 67 H ALA 67 -18.638 15.250 4.149 544 HA ALA 67 HA ALA 67 -20.137 12.939 3.567 545 1HB ALA 67 1HB ALA 67 -18.145 14.029 2.300 546 2HB ALA 67 2HB ALA 67 -18.365 12.280 2.239 547 3HB ALA 67 3HB ALA 67 -17.159 12.981 3.320 548 H LEU 68 H LEU 68 -17.585 13.576 5.920 549 HA LEU 68 HA LEU 68 -17.208 10.907 6.754 550 1HB LEU 68 2HB LEU 68 -15.655 12.810 7.200 551 2HB LEU 68 1HB LEU 68 -16.804 13.418 8.378 552 HG LEU 68 HG LEU 68 -16.508 11.413 9.739 553 1HD1 LEU 68 1HD1 LEU 68 -14.351 10.062 8.924 554 2HD1 LEU 68 2HD1 LEU 68 -15.017 10.510 7.355 555 3HD1 LEU 68 3HD1 LEU 68 -15.997 9.593 8.498 556 1HD2 LEU 68 1HD2 LEU 68 -14.632 12.179 10.730 557 2HD2 LEU 68 2HD2 LEU 68 -14.807 13.487 9.560 558 3HD2 LEU 68 3HD2 LEU 68 -13.700 12.154 9.232 559 H LYS 69 H LYS 69 -19.247 13.519 8.032 560 HA LYS 69 HA LYS 69 -20.286 12.054 10.207 561 1HB LYS 69 2HB LYS 69 -20.566 14.657 9.146 562 2HB LYS 69 1HB LYS 69 -22.187 13.987 9.249 563 1HG LYS 69 2HG LYS 69 -21.532 13.330 11.648 564 2HG LYS 69 1HG LYS 69 -20.214 14.485 11.441 565 1HD LYS 69 2HD LYS 69 -21.614 16.284 11.419 566 2HD LYS 69 1HD LYS 69 -22.941 15.378 10.690 567 1HE LYS 69 2HE LYS 69 -23.054 14.143 12.944 568 2HE LYS 69 1HE LYS 69 -22.077 15.476 13.561 569 1HZ LYS 69 1HZ LYS 69 -24.092 16.372 13.935 570 2HZ LYS 69 2HZ LYS 69 -24.866 15.442 12.753 571 3HZ LYS 69 3HZ LYS 69 -23.993 16.819 12.305 572 H VAL 70 H VAL 70 -21.594 12.681 6.959 573 HA VAL 70 HA VAL 70 -23.952 11.146 7.347 574 HB VAL 70 HB VAL 70 -24.203 11.245 4.894 575 1HG1 VAL 70 1HG1 VAL 70 -25.096 13.094 6.034 576 2HG1 VAL 70 2HG1 VAL 70 -24.141 13.785 4.722 577 3HG1 VAL 70 3HG1 VAL 70 -23.499 13.768 6.364 578 1HG2 VAL 70 1HG2 VAL 70 -22.193 11.117 3.843 579 2HG2 VAL 70 2HG2 VAL 70 -21.366 12.080 5.067 580 3HG2 VAL 70 3HG2 VAL 70 -22.370 12.872 3.852 581 H ALA 71 H ALA 71 -20.759 10.406 6.034 582 HA ALA 71 HA ALA 71 -21.273 7.911 4.921 583 1HB ALA 71 1HB ALA 71 -19.155 8.982 4.572 584 2HB ALA 71 2HB ALA 71 -18.869 7.429 5.358 585 3HB ALA 71 3HB ALA 71 -18.787 8.921 6.295 586 H GLU 72 H GLU 72 -20.381 8.750 8.249 587 HA GLU 72 HA GLU 72 -20.434 6.068 9.197 588 1HB GLU 72 2HB GLU 72 -20.369 7.087 11.442 589 2HB GLU 72 1HB GLU 72 -19.153 7.767 10.371 590 1HG GLU 72 2HG GLU 72 -20.390 9.766 10.089 591 2HG GLU 72 1HG GLU 72 -21.812 9.071 10.866 592 H ASN 73 H ASN 73 -22.782 8.686 9.044 593 HA ASN 73 HA ASN 73 -24.757 7.423 10.638 594 1HB ASN 73 2HB ASN 73 -24.527 9.913 9.899 595 2HB ASN 73 1HB ASN 73 -25.437 9.392 8.483 596 1HD2 ASN 73 1HD2 ASN 73 -27.309 10.438 8.877 597 2HD2 ASN 73 2HD2 ASN 73 -28.328 10.126 10.237 598 H GLU 74 H GLU 74 -24.170 7.532 7.154 599 HA GLU 74 HA GLU 74 -26.510 5.964 6.552 600 1HB GLU 74 2HB GLU 74 -24.191 6.793 4.800 601 2HB GLU 74 1HB GLU 74 -25.671 6.033 4.231 602 1HG GLU 74 2HG GLU 74 -25.396 8.744 5.505 603 2HG GLU 74 1HG GLU 74 -25.795 8.386 3.824 604 H LEU 75 H LEU 75 -23.013 5.401 6.646 605 HA LEU 75 HA LEU 75 -23.439 2.583 6.011 606 1HB LEU 75 2HB LEU 75 -21.649 3.957 4.898 607 2HB LEU 75 1HB LEU 75 -20.821 4.005 6.441 608 HG LEU 75 HG LEU 75 -21.544 1.329 5.371 609 1HD1 LEU 75 1HD1 LEU 75 -20.478 2.950 3.560 610 2HD1 LEU 75 2HD1 LEU 75 -20.022 1.252 3.689 611 3HD1 LEU 75 3HD1 LEU 75 -18.998 2.496 4.404 612 1HD2 LEU 75 1HD2 LEU 75 -20.195 2.159 7.548 613 2HD2 LEU 75 2HD2 LEU 75 -18.863 1.979 6.406 614 3HD2 LEU 75 3HD2 LEU 75 -19.915 0.609 6.755 615 H GLY 76 H GLY 76 -21.640 4.456 8.472 616 1HA GLY 76 2HA GLY 76 -21.989 3.951 10.831 617 2HA GLY 76 1HA GLY 76 -22.230 2.272 10.373 618 H ILE 77 H ILE 77 -19.682 4.236 9.005 619 HA ILE 77 HA ILE 77 -17.718 2.433 10.208 620 HB ILE 77 HB ILE 77 -17.641 2.766 7.768 621 1HG1 ILE 77 2HG1 ILE 77 -15.131 4.092 8.509 622 2HG1 ILE 77 1HG1 ILE 77 -15.529 2.719 9.535 623 1HG2 ILE 77 1HG2 ILE 77 -18.206 5.374 8.287 624 2HG2 ILE 77 2HG2 ILE 77 -17.603 4.761 6.748 625 3HG2 ILE 77 3HG2 ILE 77 -16.482 5.452 7.921 626 1HD1 ILE 77 1HD1 ILE 77 -14.710 1.380 7.986 627 2HD1 ILE 77 2HD1 ILE 77 -14.447 2.745 6.900 628 3HD1 ILE 77 3HD1 ILE 77 -15.993 1.898 6.891 629 H THR 78 H THR 78 -16.384 3.036 11.788 630 HA THR 78 HA THR 78 -16.644 5.614 12.990 631 HB THR 78 HB THR 78 -14.672 3.396 13.571 632 HG1 THR 78 1HG THR 78 -17.156 4.018 14.788 633 1HG2 THR 78 1HG2 THR 78 -13.890 5.428 14.579 634 2HG2 THR 78 2HG2 THR 78 -14.564 4.379 15.825 635 3HG2 THR 78 3HG2 THR 78 -15.491 5.759 15.239 636 HA PRO 79 HA PRO 79 -13.669 7.778 10.458 637 1HB PRO 79 2HB PRO 79 -13.420 9.441 12.916 638 2HB PRO 79 1HB PRO 79 -13.731 9.936 11.249 639 1HG PRO 79 2HG PRO 79 -15.692 9.927 13.046 640 2HG PRO 79 1HG PRO 79 -15.987 9.416 11.374 641 1HD PRO 79 2HD PRO 79 -15.680 7.758 13.838 642 2HD PRO 79 1HD PRO 79 -16.748 7.518 12.441 643 H VAL 80 H VAL 80 -11.526 7.560 10.188 644 HA VAL 80 HA VAL 80 -9.938 6.638 12.493 645 HB VAL 80 HB VAL 80 -9.370 6.101 9.577 646 1HG1 VAL 80 1HG1 VAL 80 -7.784 4.451 10.447 647 2HG1 VAL 80 2HG1 VAL 80 -8.177 4.944 12.094 648 3HG1 VAL 80 3HG1 VAL 80 -7.390 6.079 10.998 649 1HG2 VAL 80 1HG2 VAL 80 -11.440 5.000 10.280 650 2HG2 VAL 80 2HG2 VAL 80 -10.590 4.271 11.642 651 3HG2 VAL 80 3HG2 VAL 80 -10.153 3.829 9.991 652 H VAL 81 H VAL 81 -10.270 9.066 10.085 653 HA VAL 81 HA VAL 81 -7.814 10.337 11.051 654 HB VAL 81 HB VAL 81 -8.539 10.274 8.121 655 1HG1 VAL 81 1HG1 VAL 81 -6.399 11.555 9.740 656 2HG1 VAL 81 2HG1 VAL 81 -7.285 12.172 8.345 657 3HG1 VAL 81 3HG1 VAL 81 -5.999 10.987 8.120 658 1HG2 VAL 81 1HG2 VAL 81 -6.821 8.677 7.759 659 2HG2 VAL 81 2HG2 VAL 81 -7.832 8.044 9.057 660 3HG2 VAL 81 3HG2 VAL 81 -6.276 8.783 9.433 661 H SER 82 H SER 82 -7.765 12.650 10.726 662 HA SER 82 HA SER 82 -10.418 13.806 10.938 663 1HB SER 82 2HB SER 82 -7.673 15.046 11.255 664 2HB SER 82 1HB SER 82 -9.198 15.877 11.562 665 HG SER 82 HG SER 82 -8.006 13.759 12.983 666 H ALA 83 H ALA 83 -10.958 15.807 9.779 667 HA ALA 83 HA ALA 83 -10.689 15.491 6.990 668 1HB ALA 83 1HB ALA 83 -11.847 17.669 6.846 669 2HB ALA 83 2HB ALA 83 -11.667 17.852 8.591 670 3HB ALA 83 3HB ALA 83 -12.647 16.539 7.938 671 H GLN 84 H GLN 84 -9.164 17.713 9.289 672 HA GLN 84 HA GLN 84 -7.784 19.291 7.431 673 1HB GLN 84 2HB GLN 84 -7.977 19.119 10.225 674 2HB GLN 84 1HB GLN 84 -6.267 18.930 9.866 675 1HG GLN 84 2HG GLN 84 -6.315 21.011 8.579 676 2HG GLN 84 1HG GLN 84 -8.024 21.203 8.966 677 1HE2 GLN 84 1HE2 GLN 84 -6.829 23.286 9.695 678 2HE2 GLN 84 2HE2 GLN 84 -6.399 23.331 11.367 679 H ALA 85 H ALA 85 -7.008 16.188 8.880 680 HA ALA 85 HA ALA 85 -4.299 16.094 8.047 681 1HB ALA 85 1HB ALA 85 -6.256 14.187 9.170 682 2HB ALA 85 2HB ALA 85 -4.605 14.550 9.672 683 3HB ALA 85 3HB ALA 85 -4.894 13.497 8.287 684 H VAL 86 H VAL 86 -7.286 14.763 6.647 685 HA VAL 86 HA VAL 86 -5.978 13.577 4.418 686 HB VAL 86 HB VAL 86 -8.244 13.357 3.445 687 1HG1 VAL 86 1HG1 VAL 86 -8.397 12.564 6.329 688 2HG1 VAL 86 2HG1 VAL 86 -7.217 11.828 5.245 689 3HG1 VAL 86 3HG1 VAL 86 -8.941 11.683 4.901 690 1HG2 VAL 86 1HG2 VAL 86 -9.089 14.891 5.899 691 2HG2 VAL 86 2HG2 VAL 86 -10.187 14.028 4.825 692 3HG2 VAL 86 3HG2 VAL 86 -9.262 15.400 4.221 693 H VAL 87 H VAL 87 -7.766 16.620 4.850 694 HA VAL 87 HA VAL 87 -7.637 17.476 2.179 695 HB VAL 87 HB VAL 87 -7.693 19.221 4.647 696 1HG1 VAL 87 1HG1 VAL 87 -7.139 20.478 2.657 697 2HG1 VAL 87 2HG1 VAL 87 -8.790 20.850 3.154 698 3HG1 VAL 87 3HG1 VAL 87 -8.503 19.767 1.793 699 1HG2 VAL 87 1HG2 VAL 87 -9.513 17.334 4.151 700 2HG2 VAL 87 2HG2 VAL 87 -10.157 18.611 3.121 701 3HG2 VAL 87 3HG2 VAL 87 -9.933 18.898 4.846 702 H ALA 88 H ALA 88 -5.341 17.691 4.818 703 HA ALA 88 HA ALA 88 -3.581 19.474 3.373 704 1HB ALA 88 1HB ALA 88 -3.805 19.580 5.832 705 2HB ALA 88 2HB ALA 88 -2.140 19.338 5.302 706 3HB ALA 88 3HB ALA 88 -3.068 17.981 5.942 707 H GLY 89 H GLY 89 -4.140 16.125 3.438 708 1HA GLY 89 2HA GLY 89 -3.021 14.335 2.542 709 2HA GLY 89 1HA GLY 89 -2.238 15.514 1.503 710 H SER 90 H SER 90 -1.897 15.665 4.966 711 HA SER 90 HA SER 90 0.929 14.905 4.656 712 1HB SER 90 2HB SER 90 0.039 16.310 7.115 713 2HB SER 90 1HB SER 90 1.511 16.518 6.166 714 HG SER 90 HG SER 90 -0.555 18.080 6.153 715 H ASP 91 H ASP 91 -1.098 12.931 4.928 716 HA ASP 91 HA ASP 91 -0.101 11.596 7.304 717 1HB ASP 91 2HB ASP 91 -2.887 12.572 7.018 718 2HB ASP 91 1HB ASP 91 -2.693 10.935 7.639 719 HA PRO 92 HA PRO 92 -0.663 9.075 3.323 720 1HB PRO 92 2HB PRO 92 1.958 8.115 4.366 721 2HB PRO 92 1HB PRO 92 1.468 8.468 2.705 722 1HG PRO 92 2HG PRO 92 3.045 10.146 4.040 723 2HG PRO 92 1HG PRO 92 1.776 10.754 2.958 724 1HD PRO 92 2HD PRO 92 1.829 10.629 5.941 725 2HD PRO 92 1HD PRO 92 1.135 11.868 4.874 726 H LEU 93 H LEU 93 0.667 8.164 6.495 727 HA LEU 93 HA LEU 93 -0.057 5.443 6.357 728 1HB LEU 93 2HB LEU 93 1.239 7.153 8.193 729 2HB LEU 93 1HB LEU 93 -0.079 6.397 9.068 730 HG LEU 93 HG LEU 93 0.846 4.178 8.102 731 1HD1 LEU 93 1HD1 LEU 93 2.449 5.636 6.626 732 2HD1 LEU 93 2HD1 LEU 93 2.990 4.095 7.295 733 3HD1 LEU 93 3HD1 LEU 93 3.458 5.608 8.073 734 1HD2 LEU 93 1HD2 LEU 93 1.075 4.225 10.352 735 2HD2 LEU 93 2HD2 LEU 93 1.807 5.830 10.356 736 3HD2 LEU 93 3HD2 LEU 93 2.779 4.418 9.938 737 H GLY 94 H GLY 94 -1.719 8.287 7.643 738 1HA GLY 94 2HA GLY 94 -3.903 6.874 8.778 739 2HA GLY 94 1HA GLY 94 -3.876 8.586 8.384 740 H LEU 95 H LEU 95 -3.403 8.367 5.611 741 HA LEU 95 HA LEU 95 -6.016 8.096 4.644 742 1HB LEU 95 2HB LEU 95 -3.609 9.051 3.667 743 2HB LEU 95 1HB LEU 95 -3.961 7.696 2.613 744 HG LEU 95 HG LEU 95 -6.345 8.864 2.502 745 1HD1 LEU 95 1HD1 LEU 95 -5.805 11.386 2.329 746 2HD1 LEU 95 2HD1 LEU 95 -4.459 11.004 3.403 747 3HD1 LEU 95 3HD1 LEU 95 -6.115 10.683 3.917 748 1HD2 LEU 95 1HD2 LEU 95 -5.433 8.614 0.448 749 2HD2 LEU 95 2HD2 LEU 95 -3.849 9.201 0.956 750 3HD2 LEU 95 3HD2 LEU 95 -5.148 10.346 0.618 751 H ILE 96 H ILE 96 -3.263 5.872 4.532 752 HA ILE 96 HA ILE 96 -4.546 3.888 2.964 753 HB ILE 96 HB ILE 96 -2.297 3.477 4.937 754 1HG1 ILE 96 2HG1 ILE 96 -1.882 3.886 1.999 755 2HG1 ILE 96 1HG1 ILE 96 -2.089 5.291 3.041 756 1HG2 ILE 96 1HG2 ILE 96 -2.749 1.343 4.367 757 2HG2 ILE 96 2HG2 ILE 96 -1.832 1.758 2.919 758 3HG2 ILE 96 3HG2 ILE 96 -3.593 1.803 2.887 759 1HD1 ILE 96 1HD1 ILE 96 0.106 3.270 3.016 760 2HD1 ILE 96 2HD1 ILE 96 -0.221 4.226 4.460 761 3HD1 ILE 96 3HD1 ILE 96 0.202 5.029 2.949 762 H ALA 97 H ALA 97 -4.212 4.378 6.451 763 HA ALA 97 HA ALA 97 -5.333 1.951 7.296 764 1HB ALA 97 1HB ALA 97 -5.497 2.917 9.440 765 2HB ALA 97 2HB ALA 97 -5.605 4.549 8.783 766 3HB ALA 97 3HB ALA 97 -4.084 3.661 8.690 767 H TYR 98 H TYR 98 -6.833 5.090 6.608 768 HA TYR 98 HA TYR 98 -9.455 4.308 7.358 769 1HB TYR 98 2HB TYR 98 -8.518 6.686 7.076 770 2HB TYR 98 1HB TYR 98 -8.826 6.469 5.356 771 HD1 TYR 98 1HD TYR 98 -10.854 5.380 8.287 772 HD2 TYR 98 2HD TYR 98 -10.597 7.902 4.871 773 HE1 TYR 98 1HE TYR 98 -13.190 6.067 8.627 774 HE2 TYR 98 2HE TYR 98 -12.932 8.598 5.202 775 HH TYR 98 HH TYR 98 -14.980 7.721 6.288 776 H LEU 99 H LEU 99 -7.753 4.431 4.255 777 HA LEU 99 HA LEU 99 -9.898 3.744 2.598 778 1HB LEU 99 2HB LEU 99 -6.936 3.594 2.399 779 2HB LEU 99 1HB LEU 99 -7.867 2.664 1.241 780 HG LEU 99 HG LEU 99 -8.370 5.598 1.661 781 1HD1 LEU 99 1HD1 LEU 99 -5.931 4.760 0.937 782 2HD1 LEU 99 2HD1 LEU 99 -6.676 6.229 0.308 783 3HD1 LEU 99 3HD1 LEU 99 -6.727 4.741 -0.636 784 1HD2 LEU 99 1HD2 LEU 99 -8.916 5.111 -0.903 785 2HD2 LEU 99 2HD2 LEU 99 -10.102 4.884 0.382 786 3HD2 LEU 99 3HD2 LEU 99 -9.210 3.499 -0.251 787 H SER 100 H SER 100 -7.791 1.776 4.584 788 HA SER 100 HA SER 100 -8.454 -0.734 3.466 789 1HB SER 100 2HB SER 100 -7.415 0.041 6.196 790 2HB SER 100 1HB SER 100 -7.616 -1.630 5.676 791 HG SER 100 HG SER 100 -5.981 -1.424 4.303 792 H HIS 101 H HIS 101 -9.898 1.224 6.008 793 HA HIS 101 HA HIS 101 -11.710 -0.765 6.928 794 1HB HIS 101 2HB HIS 101 -10.956 1.787 7.747 795 2HB HIS 101 1HB HIS 101 -12.648 1.967 7.293 796 HD1 HIS 101 1HD HIS 101 -11.285 -1.177 8.850 797 HD2 HIS 101 2HD HIS 101 -13.606 2.111 9.884 798 HE1 HIS 101 1HE HIS 101 -12.248 -1.717 11.110 799 HE2 HIS 101 2HE HIS 101 -13.577 0.323 11.753 800 H PHE 102 H PHE 102 -12.012 1.946 4.662 801 HA PHE 102 HA PHE 102 -14.757 1.520 4.088 802 1HB PHE 102 2HB PHE 102 -12.562 3.174 2.986 803 2HB PHE 102 1HB PHE 102 -13.878 2.806 1.875 804 HD1 PHE 102 1HD PHE 102 -15.478 4.429 1.727 805 HD2 PHE 102 2HD PHE 102 -13.545 3.794 5.464 806 HE1 PHE 102 1HE PHE 102 -16.824 6.232 2.724 807 HE2 PHE 102 2HE PHE 102 -14.887 5.596 6.469 808 HZ PHE 102 HZ PHE 102 -16.529 6.817 5.098 809 H HIS 103 H HIS 103 -11.765 0.341 2.666 810 HA HIS 103 HA HIS 103 -12.851 -0.786 0.332 811 1HB HIS 103 2HB HIS 103 -10.380 -0.400 0.962 812 2HB HIS 103 1HB HIS 103 -10.490 -1.949 1.792 813 HD1 HIS 103 1HD HIS 103 -8.517 -1.964 -0.366 814 HD2 HIS 103 2HD HIS 103 -12.542 -2.646 -1.138 815 HE1 HIS 103 1HE HIS 103 -8.581 -3.199 -2.555 816 HE2 HIS 103 2HE HIS 103 -11.021 -3.677 -2.958 817 H SER 104 H SER 104 -12.101 -2.282 3.476 818 HA SER 104 HA SER 104 -13.092 -4.837 2.819 819 1HB SER 104 2HB SER 104 -13.240 -5.067 5.382 820 2HB SER 104 1HB SER 104 -11.653 -4.748 4.682 821 HG SER 104 HG SER 104 -13.399 -2.827 5.830 822 H ALA 105 H ALA 105 -14.599 -2.057 4.421 823 HA ALA 105 HA ALA 105 -17.057 -3.326 4.997 824 1HB ALA 105 1HB ALA 105 -16.913 -1.442 6.240 825 2HB ALA 105 2HB ALA 105 -17.789 -0.752 4.873 826 3HB ALA 105 3HB ALA 105 -16.040 -0.552 4.992 827 H PHE 106 H PHE 106 -15.997 -1.313 2.274 828 HA PHE 106 HA PHE 106 -18.486 -1.261 0.943 829 1HB PHE 106 2HB PHE 106 -15.649 -0.745 0.113 830 2HB PHE 106 1HB PHE 106 -16.928 -0.783 -1.095 831 HD1 PHE 106 1HD PHE 106 -17.063 0.536 2.379 832 HD2 PHE 106 2HD PHE 106 -17.095 1.427 -1.781 833 HE1 PHE 106 1HE PHE 106 -17.609 2.877 2.889 834 HE2 PHE 106 2HE PHE 106 -17.641 3.773 -1.278 835 HZ PHE 106 HZ PHE 106 -17.899 4.501 1.061 836 H LYS 107 H LYS 107 -15.868 -3.570 1.007 837 HA LYS 107 HA LYS 107 -16.683 -5.025 -1.312 838 1HB LYS 107 2HB LYS 107 -14.500 -5.068 0.491 839 2HB LYS 107 1HB LYS 107 -15.219 -6.673 0.527 840 1HG LYS 107 2HG LYS 107 -14.457 -7.182 -1.502 841 2HG LYS 107 1HG LYS 107 -14.921 -5.617 -2.170 842 1HD LYS 107 2HD LYS 107 -12.549 -5.779 -2.332 843 2HD LYS 107 1HD LYS 107 -12.907 -4.643 -1.030 844 1HE LYS 107 2HE LYS 107 -12.542 -6.409 0.617 845 2HE LYS 107 1HE LYS 107 -12.204 -7.556 -0.679 846 1HZ LYS 107 1HZ LYS 107 -10.295 -6.215 -1.314 847 2HZ LYS 107 2HZ LYS 107 -10.169 -6.706 0.301 848 3HZ LYS 107 3HZ LYS 107 -10.620 -5.117 -0.067 849 H SER 108 H SER 108 -17.534 -5.088 2.063 850 HA SER 108 HA SER 108 -19.018 -7.587 1.726 851 1HB SER 108 2HB SER 108 -18.038 -6.021 4.070 852 2HB SER 108 1HB SER 108 -19.477 -7.019 4.285 853 HG SER 108 HG SER 108 -17.668 -8.249 4.757 854 H MET 109 H MET 109 -19.955 -5.331 0.304 855 HA MET 109 HA MET 109 -22.448 -4.717 1.749 856 1HB MET 109 2HB MET 109 -20.773 -2.840 1.006 857 2HB MET 109 1HB MET 109 -21.496 -3.091 -0.578 858 1HG MET 109 2HG MET 109 -23.394 -2.762 1.644 859 2HG MET 109 1HG MET 109 -22.417 -1.347 1.255 860 1HE MET 109 1HE MET 109 -25.331 -1.816 1.381 861 2HE MET 109 2HE MET 109 -26.218 -2.239 -0.082 862 3HE MET 109 3HE MET 109 -25.731 -0.568 0.202
Contact the webmaster for help, if required. Monday, April 29, 2024 7:15:04 PM GMT (wattos1)