NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
4013 | 1eiw | cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 1H VAL 1 23.542 -8.955 2.486 2 2H VAL 1 2H VAL 1 22.152 -9.450 1.645 3 3H VAL 1 3H VAL 1 22.021 -8.842 3.226 4 HA VAL 1 HA VAL 1 23.158 -6.751 2.161 5 HB VAL 1 HB VAL 1 21.610 -8.001 -0.129 6 1HG1 VAL 1 1HG1 VAL 1 23.272 -5.467 -0.010 7 2HG1 VAL 1 2HG1 VAL 1 21.511 -5.502 0.088 8 3HG1 VAL 1 3HG1 VAL 1 22.325 -6.043 -1.382 9 1HG2 VAL 1 1HG2 VAL 1 24.550 -7.356 -0.154 10 2HG2 VAL 1 2HG2 VAL 1 23.653 -8.481 -1.175 11 3HG2 VAL 1 3HG2 VAL 1 23.993 -8.894 0.506 12 H THR 2 H THR 2 21.618 -4.950 1.946 13 HA THR 2 HA THR 2 18.858 -5.700 2.832 14 HB THR 2 HB THR 2 19.273 -3.120 3.757 15 HG1 THR 2 HG1 THR 2 21.400 -3.018 3.625 16 1HG2 THR 2 1HG2 THR 2 18.129 -4.752 5.062 17 2HG2 THR 2 2HG2 THR 2 19.563 -4.322 5.996 18 3HG2 THR 2 3HG2 THR 2 19.527 -5.827 5.077 19 H ALA 3 H ALA 3 18.487 -5.609 0.417 20 HA ALA 3 HA ALA 3 18.431 -2.837 -0.660 21 1HB ALA 3 1HB ALA 3 19.167 -3.984 -2.473 22 2HB ALA 3 2HB ALA 3 17.489 -4.492 -2.660 23 3HB ALA 3 3HB ALA 3 18.635 -5.532 -1.815 24 H GLU 4 H GLU 4 16.486 -4.485 1.267 25 HA GLU 4 HA GLU 4 13.969 -4.791 0.126 26 1HB GLU 4 2HB GLU 4 13.074 -3.976 2.378 27 2HB GLU 4 1HB GLU 4 14.232 -5.306 2.446 28 1HG GLU 4 2HG GLU 4 15.793 -2.967 2.466 29 2HG GLU 4 1HG GLU 4 14.452 -2.642 3.565 30 H ILE 5 H ILE 5 12.168 -3.348 -0.193 31 HA ILE 5 HA ILE 5 12.996 -0.495 -0.552 32 HB ILE 5 HB ILE 5 10.829 -2.020 -2.028 33 1HG1 ILE 5 2HG1 ILE 5 13.489 -1.079 -3.121 34 2HG1 ILE 5 1HG1 ILE 5 13.268 -2.701 -2.462 35 1HG2 ILE 5 1HG2 ILE 5 10.916 -0.025 -3.531 36 2HG2 ILE 5 2HG2 ILE 5 12.033 0.739 -2.399 37 3HG2 ILE 5 3HG2 ILE 5 10.383 0.373 -1.898 38 1HD1 ILE 5 1HD1 ILE 5 12.011 -1.469 -4.901 39 2HD1 ILE 5 2HD1 ILE 5 11.202 -2.796 -4.066 40 3HD1 ILE 5 3HD1 ILE 5 12.817 -3.030 -4.737 41 H ARG 6 H ARG 6 11.194 1.089 -0.254 42 HA ARG 6 HA ARG 6 9.555 0.301 2.087 43 1HB ARG 6 2HB ARG 6 9.703 3.060 0.870 44 2HB ARG 6 1HB ARG 6 9.324 2.615 2.534 45 1HG ARG 6 2HG ARG 6 11.827 1.508 2.186 46 2HG ARG 6 1HG ARG 6 11.940 3.002 1.254 47 1HD ARG 6 2HD ARG 6 11.996 4.255 3.128 48 2HD ARG 6 1HD ARG 6 10.568 3.449 3.775 49 HE ARG 6 HE ARG 6 12.174 2.534 5.255 50 1HH1 ARG 6 2HH1 ARG 6 14.053 3.393 2.665 51 2HH1 ARG 6 1HH1 ARG 6 15.065 1.988 2.681 52 1HH2 ARG 6 1HH2 ARG 6 13.120 0.287 4.993 53 2HH2 ARG 6 2HH2 ARG 6 14.538 0.231 3.999 54 H LEU 7 H LEU 7 7.683 -0.696 1.417 55 HA LEU 7 HA LEU 7 6.155 0.618 -0.793 56 1HB LEU 7 2HB LEU 7 6.301 -2.241 0.159 57 2HB LEU 7 1HB LEU 7 4.943 -1.669 -0.810 58 HG LEU 7 HG LEU 7 6.660 -0.796 -2.477 59 1HD1 LEU 7 1HD1 LEU 7 8.404 -1.698 -0.383 60 2HD1 LEU 7 2HD1 LEU 7 8.829 -0.884 -1.889 61 3HD1 LEU 7 3HD1 LEU 7 8.728 -2.644 -1.836 62 1HD2 LEU 7 1HD2 LEU 7 5.372 -3.117 -2.425 63 2HD2 LEU 7 2HD2 LEU 7 6.996 -3.762 -2.187 64 3HD2 LEU 7 3HD2 LEU 7 6.625 -2.815 -3.629 65 H TYR 8 H TYR 8 3.712 0.368 -0.508 66 HA TYR 8 HA TYR 8 2.786 0.177 2.283 67 1HB TYR 8 2HB TYR 8 3.589 2.567 1.905 68 2HB TYR 8 1HB TYR 8 2.291 2.724 0.723 69 HD1 TYR 8 HD1 TYR 8 0.388 3.779 1.535 70 HD2 TYR 8 HD2 TYR 8 2.659 1.252 4.164 71 HE1 TYR 8 HE1 TYR 8 -1.226 4.234 3.365 72 HE2 TYR 8 HE2 TYR 8 1.046 1.706 5.995 73 HH TYR 8 HH TYR 8 -1.087 2.497 6.408 74 H ILE 9 H ILE 9 0.591 -0.373 2.365 75 HA ILE 9 HA ILE 9 -0.866 -0.381 -0.244 76 HB ILE 9 HB ILE 9 -1.107 -2.606 1.784 77 1HG1 ILE 9 2HG1 ILE 9 0.611 -2.714 -0.701 78 2HG1 ILE 9 1HG1 ILE 9 1.279 -2.267 0.869 79 1HG2 ILE 9 1HG2 ILE 9 -1.477 -2.984 -1.138 80 2HG2 ILE 9 2HG2 ILE 9 -2.676 -1.973 -0.331 81 3HG2 ILE 9 3HG2 ILE 9 -2.414 -3.632 0.208 82 1HD1 ILE 9 1HD1 ILE 9 1.371 -4.767 0.181 83 2HD1 ILE 9 2HD1 ILE 9 -0.354 -4.780 0.544 84 3HD1 ILE 9 3HD1 ILE 9 0.808 -4.378 1.807 85 H THR 10 H THR 10 -3.166 -0.182 -0.050 86 HA THR 10 HA THR 10 -4.005 1.309 2.329 87 HB THR 10 HB THR 10 -6.138 0.562 0.481 88 HG1 THR 10 HG1 THR 10 -5.084 0.796 -1.298 89 1HG2 THR 10 1HG2 THR 10 -5.402 3.322 0.378 90 2HG2 THR 10 2HG2 THR 10 -5.247 2.772 2.047 91 3HG2 THR 10 3HG2 THR 10 -6.781 2.590 1.197 92 H GLU 11 H GLU 11 -5.896 0.684 3.614 93 HA GLU 11 HA GLU 11 -5.917 -2.211 4.142 94 1HB GLU 11 2HB GLU 11 -6.808 0.249 5.546 95 2HB GLU 11 1HB GLU 11 -7.755 -1.205 5.861 96 1HG GLU 11 2HG GLU 11 -5.600 -2.413 6.348 97 2HG GLU 11 1HG GLU 11 -4.766 -0.862 6.225 98 H GLY 12 H GLY 12 -7.576 -3.582 3.578 99 1HA GLY 12 2HA GLY 12 -10.099 -2.372 2.550 100 2HA GLY 12 1HA GLY 12 -9.247 -3.563 1.567 101 H GLU 13 H GLU 13 -11.707 -4.341 2.130 102 HA GLU 13 HA GLU 13 -11.396 -6.249 4.414 103 1HB GLU 13 2HB GLU 13 -13.660 -4.475 3.634 104 2HB GLU 13 1HB GLU 13 -14.075 -6.092 4.205 105 1HG GLU 13 2HG GLU 13 -12.150 -4.321 5.715 106 2HG GLU 13 1HG GLU 13 -13.891 -4.249 5.991 107 H VAL 14 H VAL 14 -11.895 -5.853 1.067 108 HA VAL 14 HA VAL 14 -13.489 -8.189 0.534 109 HB VAL 14 HB VAL 14 -12.687 -7.950 -1.778 110 1HG1 VAL 14 1HG1 VAL 14 -13.460 -5.487 -0.229 111 2HG1 VAL 14 2HG1 VAL 14 -14.432 -6.442 -1.348 112 3HG1 VAL 14 3HG1 VAL 14 -13.162 -5.386 -1.964 113 1HG2 VAL 14 1HG2 VAL 14 -10.713 -6.965 -2.303 114 2HG2 VAL 14 2HG2 VAL 14 -10.352 -7.056 -0.578 115 3HG2 VAL 14 3HG2 VAL 14 -11.037 -5.580 -1.260 116 H GLU 15 H GLU 15 -12.572 -10.144 -0.636 117 HA GLU 15 HA GLU 15 -10.376 -11.242 0.947 118 1HB GLU 15 2HB GLU 15 -10.831 -13.316 -0.209 119 2HB GLU 15 1HB GLU 15 -12.381 -12.576 0.193 120 1HG GLU 15 2HG GLU 15 -12.290 -11.509 -2.145 121 2HG GLU 15 1HG GLU 15 -10.993 -12.655 -2.489 122 H ASP 16 H ASP 16 -10.707 -9.658 -2.108 123 HA ASP 16 HA ASP 16 -8.458 -10.762 -3.479 124 1HB ASP 16 2HB ASP 16 -9.823 -8.067 -3.610 125 2HB ASP 16 1HB ASP 16 -8.445 -8.466 -4.638 126 H TYR 17 H TYR 17 -8.728 -8.279 -0.990 127 HA TYR 17 HA TYR 17 -6.103 -7.190 -1.219 128 1HB TYR 17 2HB TYR 17 -7.864 -6.157 0.166 129 2HB TYR 17 1HB TYR 17 -7.820 -7.539 1.258 130 HD1 TYR 17 HD1 TYR 17 -4.719 -6.358 -0.303 131 HD2 TYR 17 HD2 TYR 17 -7.235 -6.083 3.171 132 HE1 TYR 17 HE1 TYR 17 -2.861 -5.308 0.961 133 HE2 TYR 17 HE2 TYR 17 -5.375 -5.033 4.435 134 HH TYR 17 HH TYR 17 -3.337 -4.079 4.249 135 H ARG 18 H ARG 18 -7.345 -9.931 0.694 136 HA ARG 18 HA ARG 18 -4.837 -10.573 1.931 137 1HB ARG 18 2HB ARG 18 -7.483 -11.604 1.945 138 2HB ARG 18 1HB ARG 18 -6.417 -12.938 1.500 139 1HG ARG 18 2HG ARG 18 -6.467 -12.967 3.875 140 2HG ARG 18 1HG ARG 18 -4.936 -12.192 3.463 141 1HD ARG 18 2HD ARG 18 -5.709 -10.059 4.042 142 2HD ARG 18 1HD ARG 18 -7.402 -10.519 3.865 143 HE ARG 18 HE ARG 18 -6.701 -12.078 5.952 144 1HH1 ARG 18 1HH2 ARG 18 -7.595 -8.952 5.738 145 2HH1 ARG 18 2HH2 ARG 18 -6.768 -8.386 7.150 146 1HH2 ARG 18 2HH1 ARG 18 -4.919 -11.292 7.556 147 2HH2 ARG 18 1HH1 ARG 18 -5.253 -9.711 8.180 148 H VAL 19 H VAL 19 -6.491 -12.112 -0.859 149 HA VAL 19 HA VAL 19 -4.483 -13.906 -1.600 150 HB VAL 19 HB VAL 19 -6.291 -12.252 -3.389 151 1HG1 VAL 19 1HG1 VAL 19 -4.815 -14.808 -4.071 152 2HG1 VAL 19 2HG1 VAL 19 -4.234 -13.206 -4.523 153 3HG1 VAL 19 3HG1 VAL 19 -5.768 -13.800 -5.159 154 1HG2 VAL 19 1HG2 VAL 19 -7.602 -13.645 -1.961 155 2HG2 VAL 19 2HG2 VAL 19 -6.474 -14.992 -2.116 156 3HG2 VAL 19 3HG2 VAL 19 -7.482 -14.523 -3.485 157 H PHE 20 H PHE 20 -4.637 -10.420 -2.176 158 HA PHE 20 HA PHE 20 -2.401 -10.287 -3.974 159 1HB PHE 20 2HB PHE 20 -4.028 -8.431 -3.660 160 2HB PHE 20 1HB PHE 20 -3.394 -8.177 -2.033 161 HD1 PHE 20 HD1 PHE 20 -1.614 -8.998 -5.222 162 HD2 PHE 20 HD2 PHE 20 -2.243 -6.124 -2.088 163 HE1 PHE 20 HE1 PHE 20 0.204 -7.587 -6.149 164 HE2 PHE 20 HE2 PHE 20 -0.425 -4.715 -3.015 165 HZ PHE 20 HZ PHE 20 0.799 -5.446 -5.046 166 H LEU 21 H LEU 21 -2.637 -9.825 -0.434 167 HA LEU 21 HA LEU 21 0.074 -9.263 0.083 168 1HB LEU 21 2HB LEU 21 -2.232 -10.158 1.606 169 2HB LEU 21 1HB LEU 21 -0.755 -10.927 2.187 170 HG LEU 21 HG LEU 21 -1.084 -8.812 3.365 171 1HD1 LEU 21 1HD1 LEU 21 1.186 -9.345 1.594 172 2HD1 LEU 21 2HD1 LEU 21 1.176 -8.841 3.285 173 3HD1 LEU 21 3HD1 LEU 21 1.032 -7.637 2.004 174 1HD2 LEU 21 1HD2 LEU 21 -0.715 -7.231 0.859 175 2HD2 LEU 21 2HD2 LEU 21 -1.598 -6.816 2.328 176 3HD2 LEU 21 3HD2 LEU 21 -2.313 -7.918 1.151 177 H GLU 22 H GLU 22 -1.529 -12.445 -0.148 178 HA GLU 22 HA GLU 22 0.741 -14.039 0.435 179 1HB GLU 22 2HB GLU 22 -1.832 -14.451 -1.010 180 2HB GLU 22 1HB GLU 22 -0.556 -15.635 -1.293 181 1HG GLU 22 2HG GLU 22 -0.631 -16.434 0.852 182 2HG GLU 22 1HG GLU 22 -1.010 -14.852 1.536 183 H ARG 23 H ARG 23 -0.475 -12.941 -2.752 184 HA ARG 23 HA ARG 23 1.512 -14.116 -4.360 185 1HB ARG 23 2HB ARG 23 -0.558 -12.740 -5.067 186 2HB ARG 23 1HB ARG 23 0.478 -11.326 -4.867 187 1HG ARG 23 2HG ARG 23 1.032 -11.738 -7.041 188 2HG ARG 23 1HG ARG 23 2.114 -12.938 -6.333 189 1HD ARG 23 2HD ARG 23 0.811 -14.702 -6.991 190 2HD ARG 23 1HD ARG 23 -0.692 -13.808 -6.767 191 HE ARG 23 HE ARG 23 0.962 -12.934 -9.040 192 1HH1 ARG 23 2HH1 ARG 23 -1.315 -15.255 -7.948 193 2HH1 ARG 23 1HH1 ARG 23 -2.223 -15.267 -9.424 194 1HH2 ARG 23 1HH2 ARG 23 -0.333 -12.768 -10.913 195 2HH2 ARG 23 2HH2 ARG 23 -1.667 -13.858 -11.103 196 H LEU 24 H LEU 24 1.556 -10.748 -3.128 197 HA LEU 24 HA LEU 24 4.121 -10.015 -3.884 198 1HB LEU 24 2HB LEU 24 2.222 -9.157 -1.891 199 2HB LEU 24 1HB LEU 24 3.850 -9.100 -1.216 200 HG LEU 24 HG LEU 24 3.817 -8.103 -3.944 201 1HD1 LEU 24 1HD1 LEU 24 2.237 -6.451 -3.885 202 2HD1 LEU 24 2HD1 LEU 24 2.418 -6.200 -2.150 203 3HD1 LEU 24 3HD1 LEU 24 1.446 -7.543 -2.749 204 1HD2 LEU 24 1HD2 LEU 24 4.881 -7.451 -1.277 205 2HD2 LEU 24 2HD2 LEU 24 4.515 -6.034 -2.260 206 3HD2 LEU 24 3HD2 LEU 24 5.630 -7.260 -2.862 207 H GLU 25 H GLU 25 3.196 -12.059 -1.135 208 HA GLU 25 HA GLU 25 5.806 -12.259 0.025 209 1HB GLU 25 2HB GLU 25 3.226 -13.660 0.263 210 2HB GLU 25 1HB GLU 25 4.627 -14.681 0.589 211 1HG GLU 25 2HG GLU 25 5.457 -13.078 2.236 212 2HG GLU 25 1HG GLU 25 4.128 -11.977 1.870 213 H GLN 26 H GLN 26 4.128 -14.274 -2.395 214 HA GLN 26 HA GLN 26 6.236 -16.185 -2.707 215 1HB GLN 26 2HB GLN 26 3.691 -15.820 -3.773 216 2HB GLN 26 1HB GLN 26 4.756 -15.627 -5.166 217 1HG GLN 26 2HG GLN 26 4.896 -17.874 -5.258 218 2HG GLN 26 1HG GLN 26 5.816 -17.806 -3.754 219 1HE2 GLN 26 1HE2 GLN 26 2.568 -18.339 -5.095 220 2HE2 GLN 26 2HE2 GLN 26 1.908 -19.006 -3.681 221 H SER 27 H SER 27 5.849 -12.924 -3.844 222 HA SER 27 HA SER 27 7.435 -12.856 -6.146 223 1HB SER 27 2HB SER 27 6.301 -10.951 -4.566 224 2HB SER 27 1HB SER 27 8.002 -10.711 -4.183 225 HG SER 27 HG SER 27 7.069 -10.970 -6.840 226 H GLY 28 H GLY 28 8.589 -12.563 -2.765 227 1HA GLY 28 2HA GLY 28 10.598 -13.742 -2.023 228 2HA GLY 28 1HA GLY 28 11.188 -13.695 -3.685 229 H LEU 29 H LEU 29 10.456 -10.885 -4.089 230 HA LEU 29 HA LEU 29 12.873 -9.631 -3.296 231 1HB LEU 29 2HB LEU 29 10.358 -8.824 -4.557 232 2HB LEU 29 1HB LEU 29 11.047 -7.548 -3.552 233 HG LEU 29 HG LEU 29 11.890 -7.464 -5.894 234 1HD1 LEU 29 1HD1 LEU 29 14.197 -7.160 -5.309 235 2HD1 LEU 29 2HD1 LEU 29 14.077 -8.310 -3.978 236 3HD1 LEU 29 3HD1 LEU 29 13.259 -6.750 -3.873 237 1HD2 LEU 29 1HD2 LEU 29 12.007 -9.629 -6.716 238 2HD2 LEU 29 2HD2 LEU 29 12.610 -10.286 -5.194 239 3HD2 LEU 29 3HD2 LEU 29 13.693 -9.389 -6.258 240 H GLU 30 H GLU 30 13.329 -8.153 -1.592 241 HA GLU 30 HA GLU 30 11.810 -8.661 0.866 242 1HB GLU 30 2HB GLU 30 14.466 -7.928 0.241 243 2HB GLU 30 1HB GLU 30 13.783 -6.564 1.125 244 1HG GLU 30 2HG GLU 30 13.830 -9.459 2.021 245 2HG GLU 30 1HG GLU 30 14.734 -8.120 2.730 246 H TRP 31 H TRP 31 10.290 -7.303 1.724 247 HA TRP 31 HA TRP 31 10.170 -4.502 0.720 248 1HB TRP 31 2HB TRP 31 7.673 -4.734 0.550 249 2HB TRP 31 1HB TRP 31 8.552 -5.703 -0.633 250 HD1 TRP 31 HD1 TRP 31 8.814 -8.352 -0.081 251 HE1 TRP 31 HE1 TRP 31 7.258 -9.938 1.226 252 HE3 TRP 31 HE3 TRP 31 6.007 -4.928 2.464 253 HZ2 TRP 31 HZ2 TRP 31 5.103 -9.774 3.104 254 HZ3 TRP 31 HZ3 TRP 31 4.210 -5.668 4.005 255 HH2 TRP 31 HH2 TRP 31 3.756 -8.086 4.328 256 H ARG 32 H ARG 32 9.370 -3.032 2.253 257 HA ARG 32 HA ARG 32 8.614 -4.177 4.907 258 1HB ARG 32 2HB ARG 32 10.789 -2.264 4.214 259 2HB ARG 32 1HB ARG 32 9.857 -1.909 5.669 260 1HG ARG 32 2HG ARG 32 10.254 -4.541 6.062 261 2HG ARG 32 1HG ARG 32 11.692 -4.186 5.103 262 1HD ARG 32 2HD ARG 32 12.674 -3.240 6.890 263 2HD ARG 32 1HD ARG 32 11.342 -2.093 7.033 264 HE ARG 32 HE ARG 32 11.622 -4.616 8.543 265 1HH1 ARG 32 2HH1 ARG 32 10.932 -1.726 9.470 266 2HH1 ARG 32 1HH1 ARG 32 9.280 -1.949 9.941 267 1HH2 ARG 32 1HH2 ARG 32 8.957 -5.003 8.329 268 2HH2 ARG 32 2HH2 ARG 32 8.160 -3.804 9.295 269 HA PRO 33 HA PRO 33 5.276 -1.339 4.567 270 1HB PRO 33 2HB PRO 33 4.538 -1.309 7.215 271 2HB PRO 33 1HB PRO 33 4.186 -2.652 6.115 272 1HG PRO 33 2HG PRO 33 6.226 -2.489 8.285 273 2HG PRO 33 1HG PRO 33 5.413 -3.913 7.612 274 1HD PRO 33 2HD PRO 33 8.048 -3.073 7.013 275 2HD PRO 33 1HD PRO 33 7.107 -4.281 6.110 276 H ALA 34 H ALA 34 6.135 0.713 4.099 277 HA ALA 34 HA ALA 34 7.334 2.255 6.347 278 1HB ALA 34 1HB ALA 34 7.421 2.515 3.348 279 2HB ALA 34 2HB ALA 34 8.762 2.428 4.490 280 3HB ALA 34 3HB ALA 34 7.799 3.901 4.371 281 H THR 35 H THR 35 6.540 4.435 6.752 282 HA THR 35 HA THR 35 3.703 4.655 6.811 283 HB THR 35 HB THR 35 4.374 7.220 7.087 284 HG1 THR 35 HG1 THR 35 6.571 7.182 7.960 285 1HG2 THR 35 1HG2 THR 35 5.511 5.827 9.357 286 2HG2 THR 35 2HG2 THR 35 4.048 5.013 8.799 287 3HG2 THR 35 3HG2 THR 35 3.993 6.718 9.246 288 HA PRO 36 HA PRO 36 2.690 6.291 2.867 289 1HB PRO 36 2HB PRO 36 0.679 8.048 3.527 290 2HB PRO 36 1HB PRO 36 0.482 6.287 3.535 291 1HG PRO 36 2HG PRO 36 0.764 8.153 5.845 292 2HG PRO 36 1HG PRO 36 -0.040 6.577 5.767 293 1HD PRO 36 2HD PRO 36 2.515 7.072 6.873 294 2HD PRO 36 1HD PRO 36 1.846 5.476 6.470 295 H GLU 37 H GLU 37 4.060 8.264 5.259 296 HA GLU 37 HA GLU 37 4.089 10.696 3.563 297 1HB GLU 37 2HB GLU 37 3.861 10.492 6.228 298 2HB GLU 37 1HB GLU 37 5.622 10.545 6.119 299 1HG GLU 37 2HG GLU 37 4.597 12.523 4.343 300 2HG GLU 37 1HG GLU 37 3.765 12.714 5.887 301 H ASP 38 H ASP 38 6.152 8.067 4.611 302 HA ASP 38 HA ASP 38 8.326 9.203 2.900 303 1HB ASP 38 2HB ASP 38 8.402 8.209 5.686 304 2HB ASP 38 1HB ASP 38 9.685 7.600 4.641 305 H ALA 39 H ALA 39 6.396 7.520 1.832 306 HA ALA 39 HA ALA 39 7.621 4.808 1.830 307 1HB ALA 39 1HB ALA 39 5.517 4.318 0.395 308 2HB ALA 39 2HB ALA 39 4.953 5.898 0.938 309 3HB ALA 39 3HB ALA 39 5.285 4.627 2.116 310 H ASP 40 H ASP 40 8.323 3.855 -0.137 311 HA ASP 40 HA ASP 40 9.051 5.832 -2.225 312 1HB ASP 40 2HB ASP 40 9.947 2.979 -1.726 313 2HB ASP 40 1HB ASP 40 10.506 3.967 -3.075 314 H ALA 41 H ALA 41 7.006 3.050 -1.688 315 HA ALA 41 HA ALA 41 5.855 3.459 -4.396 316 1HB ALA 41 1HB ALA 41 7.465 1.200 -3.633 317 2HB ALA 41 2HB ALA 41 6.680 1.517 -5.180 318 3HB ALA 41 3HB ALA 41 5.809 0.660 -3.908 319 H VAL 42 H VAL 42 3.712 3.784 -4.070 320 HA VAL 42 HA VAL 42 2.438 2.456 -1.714 321 HB VAL 42 HB VAL 42 1.682 4.972 -3.230 322 1HG1 VAL 42 1HG1 VAL 42 0.235 4.446 -0.759 323 2HG1 VAL 42 2HG1 VAL 42 -0.038 3.173 -1.947 324 3HG1 VAL 42 3HG1 VAL 42 -0.396 4.851 -2.355 325 1HG2 VAL 42 1HG2 VAL 42 2.127 4.882 -0.285 326 2HG2 VAL 42 2HG2 VAL 42 2.535 6.146 -1.445 327 3HG2 VAL 42 3HG2 VAL 42 3.556 4.715 -1.305 328 H ILE 43 H ILE 43 1.684 0.532 -2.580 329 HA ILE 43 HA ILE 43 0.377 0.489 -5.212 330 HB ILE 43 HB ILE 43 0.409 -1.756 -3.190 331 1HG1 ILE 43 2HG1 ILE 43 2.525 -1.972 -5.125 332 2HG1 ILE 43 1HG1 ILE 43 2.680 -0.431 -4.281 333 1HG2 ILE 43 1HG2 ILE 43 -0.975 -1.982 -5.246 334 2HG2 ILE 43 2HG2 ILE 43 0.350 -3.145 -5.205 335 3HG2 ILE 43 3HG2 ILE 43 0.468 -1.709 -6.223 336 1HD1 ILE 43 1HD1 ILE 43 2.871 -3.208 -3.208 337 2HD1 ILE 43 2HD1 ILE 43 2.155 -1.983 -2.162 338 3HD1 ILE 43 3HD1 ILE 43 3.795 -1.770 -2.773 339 H VAL 44 H VAL 44 -1.629 1.425 -5.236 340 HA VAL 44 HA VAL 44 -3.456 0.949 -2.937 341 HB VAL 44 HB VAL 44 -4.049 2.717 -5.308 342 1HG1 VAL 44 1HG1 VAL 44 -5.174 2.167 -2.656 343 2HG1 VAL 44 2HG1 VAL 44 -5.927 2.922 -4.061 344 3HG1 VAL 44 3HG1 VAL 44 -4.942 3.888 -2.962 345 1HG2 VAL 44 1HG2 VAL 44 -1.757 3.217 -4.306 346 2HG2 VAL 44 2HG2 VAL 44 -2.594 3.602 -2.802 347 3HG2 VAL 44 3HG2 VAL 44 -2.910 4.551 -4.254 348 H LEU 45 H LEU 45 -5.288 -0.300 -3.161 349 HA LEU 45 HA LEU 45 -5.554 -1.845 -5.662 350 1HB LEU 45 2HB LEU 45 -6.664 -2.062 -2.880 351 2HB LEU 45 1HB LEU 45 -7.492 -2.888 -4.201 352 HG LEU 45 HG LEU 45 -5.749 -4.287 -3.016 353 1HD1 LEU 45 1HD1 LEU 45 -4.942 -5.278 -5.046 354 2HD1 LEU 45 2HD1 LEU 45 -5.080 -3.752 -5.920 355 3HD1 LEU 45 3HD1 LEU 45 -6.533 -4.614 -5.417 356 1HD2 LEU 45 1HD2 LEU 45 -3.898 -2.298 -4.370 357 2HD2 LEU 45 2HD2 LEU 45 -3.381 -3.793 -3.592 358 3HD2 LEU 45 3HD2 LEU 45 -4.104 -2.502 -2.632 359 H ALA 46 H ALA 46 -7.070 -1.365 -7.201 360 HA ALA 46 HA ALA 46 -8.847 0.923 -6.778 361 1HB ALA 46 1HB ALA 46 -7.634 -0.022 -8.991 362 2HB ALA 46 2HB ALA 46 -9.117 0.929 -9.059 363 3HB ALA 46 3HB ALA 46 -9.193 -0.830 -9.160 364 H GLY 47 H GLY 47 -9.067 -2.141 -5.705 365 1HA GLY 47 2HA GLY 47 -11.812 -2.763 -6.492 366 2HA GLY 47 1HA GLY 47 -10.855 -3.634 -5.292 367 H LEU 48 H LEU 48 -10.246 -0.972 -3.950 368 HA LEU 48 HA LEU 48 -12.750 -0.900 -2.356 369 1HB LEU 48 2HB LEU 48 -10.196 0.553 -1.674 370 2HB LEU 48 1HB LEU 48 -11.464 -0.013 -0.586 371 HG LEU 48 HG LEU 48 -9.835 -1.938 -2.249 372 1HD1 LEU 48 1HD1 LEU 48 -8.084 -1.051 -1.022 373 2HD1 LEU 48 2HD1 LEU 48 -8.696 -2.226 0.142 374 3HD1 LEU 48 3HD1 LEU 48 -9.134 -0.523 0.293 375 1HD2 LEU 48 1HD2 LEU 48 -10.740 -2.754 0.397 376 2HD2 LEU 48 2HD2 LEU 48 -11.052 -3.505 -1.167 377 3HD2 LEU 48 3HD2 LEU 48 -12.085 -2.193 -0.597 378 H TRP 49 H TRP 49 -12.416 0.429 -5.032 379 HA TRP 49 HA TRP 49 -12.267 3.289 -4.489 380 1HB TRP 49 2HB TRP 49 -11.644 2.509 -6.696 381 2HB TRP 49 1HB TRP 49 -13.206 1.718 -6.906 382 HD1 TRP 49 HD1 TRP 49 -15.388 3.490 -6.737 383 HE1 TRP 49 HE1 TRP 49 -15.591 5.833 -7.793 384 HE3 TRP 49 HE3 TRP 49 -10.448 4.544 -7.496 385 HZ2 TRP 49 HZ2 TRP 49 -13.881 7.885 -8.826 386 HZ3 TRP 49 HZ3 TRP 49 -9.763 6.698 -8.516 387 HH2 TRP 49 HH2 TRP 49 -11.472 8.367 -9.181 388 H GLY 50 H GLY 50 -14.883 0.948 -5.090 389 1HA GLY 50 2HA GLY 50 -16.908 3.049 -4.634 390 2HA GLY 50 1HA GLY 50 -17.238 1.374 -5.080 391 H THR 51 H THR 51 -15.046 2.161 -2.464 392 HA THR 51 HA THR 51 -17.157 1.529 -0.466 393 HB THR 51 HB THR 51 -15.570 -0.063 0.656 394 HG1 THR 51 HG1 THR 51 -13.616 0.092 -0.084 395 1HG2 THR 51 1HG2 THR 51 -16.972 -0.464 -1.889 396 2HG2 THR 51 2HG2 THR 51 -17.009 -1.438 -0.419 397 3HG2 THR 51 3HG2 THR 51 -15.710 -1.659 -1.591 398 H ARG 52 H ARG 52 -13.628 2.137 -0.703 399 HA ARG 52 HA ARG 52 -13.982 4.156 1.476 400 1HB ARG 52 2HB ARG 52 -12.088 1.965 1.134 401 2HB ARG 52 1HB ARG 52 -11.270 3.509 1.367 402 1HG ARG 52 2HG ARG 52 -11.643 3.191 3.576 403 2HG ARG 52 1HG ARG 52 -13.317 3.619 3.223 404 1HD ARG 52 2HD ARG 52 -13.634 1.127 2.629 405 2HD ARG 52 1HD ARG 52 -12.100 0.868 3.462 406 HE ARG 52 HE ARG 52 -13.980 2.405 5.062 407 1HH1 ARG 52 1HH2 ARG 52 -13.818 -0.723 3.736 408 2HH1 ARG 52 2HH2 ARG 52 -14.093 -1.542 5.236 409 1HH2 ARG 52 2HH1 ARG 52 -13.991 1.353 7.141 410 2HH2 ARG 52 1HH1 ARG 52 -14.191 -0.368 7.164 411 H ARG 53 H ARG 53 -14.478 5.067 -1.046 412 HA ARG 53 HA ARG 53 -12.149 5.976 -2.472 413 1HB ARG 53 2HB ARG 53 -14.627 5.856 -3.261 414 2HB ARG 53 1HB ARG 53 -14.787 7.434 -2.488 415 1HG ARG 53 2HG ARG 53 -12.393 7.204 -4.171 416 2HG ARG 53 1HG ARG 53 -13.899 7.020 -5.069 417 1HD ARG 53 2HD ARG 53 -14.492 9.137 -3.427 418 2HD ARG 53 1HD ARG 53 -12.780 9.406 -3.752 419 HE ARG 53 HE ARG 53 -13.580 9.049 -6.252 420 1HH1 ARG 53 2HH1 ARG 53 -16.246 9.527 -4.397 421 2HH1 ARG 53 1HH1 ARG 53 -16.715 11.045 -5.087 422 1HH2 ARG 53 1HH2 ARG 53 -13.753 11.467 -6.839 423 2HH2 ARG 53 2HH2 ARG 53 -15.306 12.142 -6.470 424 H ASP 54 H ASP 54 -13.977 7.240 0.247 425 HA ASP 54 HA ASP 54 -12.898 9.910 0.175 426 1HB ASP 54 2HB ASP 54 -14.453 8.254 2.068 427 2HB ASP 54 1HB ASP 54 -13.442 9.486 2.822 428 H GLU 55 H GLU 55 -11.854 6.892 1.720 429 HA GLU 55 HA GLU 55 -9.681 8.099 3.194 430 1HB GLU 55 2HB GLU 55 -10.868 5.575 3.073 431 2HB GLU 55 1HB GLU 55 -9.238 5.314 2.452 432 1HG GLU 55 2HG GLU 55 -8.281 6.387 4.437 433 2HG GLU 55 1HG GLU 55 -9.898 6.728 5.052 434 H ILE 56 H ILE 56 -9.690 6.090 0.223 435 HA ILE 56 HA ILE 56 -6.985 6.275 -0.432 436 HB ILE 56 HB ILE 56 -9.351 6.401 -2.328 437 1HG1 ILE 56 2HG1 ILE 56 -7.675 3.994 -1.605 438 2HG1 ILE 56 1HG1 ILE 56 -9.096 4.440 -0.659 439 1HG2 ILE 56 1HG2 ILE 56 -6.539 6.637 -2.805 440 2HG2 ILE 56 2HG2 ILE 56 -7.842 6.547 -3.991 441 3HG2 ILE 56 3HG2 ILE 56 -7.071 5.070 -3.414 442 1HD1 ILE 56 1HD1 ILE 56 -10.561 3.889 -2.342 443 2HD1 ILE 56 2HD1 ILE 56 -9.248 2.799 -2.785 444 3HD1 ILE 56 3HD1 ILE 56 -9.429 4.343 -3.617 445 H LEU 57 H LEU 57 -9.552 8.645 -1.143 446 HA LEU 57 HA LEU 57 -8.186 10.471 -2.724 447 1HB LEU 57 2HB LEU 57 -10.365 10.635 -0.754 448 2HB LEU 57 1HB LEU 57 -9.475 12.145 -0.951 449 HG LEU 57 HG LEU 57 -10.799 10.522 -3.142 450 1HD1 LEU 57 1HD1 LEU 57 -12.165 12.066 -1.596 451 2HD1 LEU 57 2HD1 LEU 57 -12.314 12.340 -3.332 452 3HD1 LEU 57 3HD1 LEU 57 -11.293 13.397 -2.357 453 1HD2 LEU 57 1HD2 LEU 57 -9.122 11.384 -4.420 454 2HD2 LEU 57 2HD2 LEU 57 -8.659 12.557 -3.187 455 3HD2 LEU 57 3HD2 LEU 57 -10.012 12.899 -4.267 456 H GLY 58 H GLY 58 -8.080 10.321 0.851 457 1HA GLY 58 2HA GLY 58 -6.275 12.458 1.255 458 2HA GLY 58 1HA GLY 58 -6.423 11.072 2.335 459 H ALA 59 H ALA 59 -5.445 8.970 1.111 460 HA ALA 59 HA ALA 59 -2.687 9.116 1.167 461 1HB ALA 59 1HB ALA 59 -2.629 7.071 -0.136 462 2HB ALA 59 2HB ALA 59 -4.229 7.399 -0.800 463 3HB ALA 59 3HB ALA 59 -4.046 7.016 0.913 464 H VAL 60 H VAL 60 -4.795 9.982 -1.537 465 HA VAL 60 HA VAL 60 -2.666 10.297 -3.462 466 HB VAL 60 HB VAL 60 -5.415 11.579 -3.376 467 1HG1 VAL 60 1HG1 VAL 60 -3.157 11.918 -5.140 468 2HG1 VAL 60 2HG1 VAL 60 -4.734 12.705 -5.202 469 3HG1 VAL 60 3HG1 VAL 60 -4.487 11.161 -6.018 470 1HG2 VAL 60 1HG2 VAL 60 -4.544 8.873 -3.814 471 2HG2 VAL 60 2HG2 VAL 60 -5.181 9.519 -5.326 472 3HG2 VAL 60 3HG2 VAL 60 -6.183 9.519 -3.874 473 H ASP 61 H ASP 61 -4.533 12.709 -1.577 474 HA ASP 61 HA ASP 61 -3.173 15.020 -2.357 475 1HB ASP 61 2HB ASP 61 -4.597 14.167 0.112 476 2HB ASP 61 1HB ASP 61 -3.554 15.582 0.255 477 H LEU 62 H LEU 62 -2.299 12.908 0.406 478 HA LEU 62 HA LEU 62 0.112 14.283 1.055 479 1HB LEU 62 2HB LEU 62 -1.258 11.960 1.946 480 2HB LEU 62 1HB LEU 62 0.394 11.468 1.568 481 HG LEU 62 HG LEU 62 -0.386 13.800 3.345 482 1HD1 LEU 62 1HD1 LEU 62 1.017 11.235 4.118 483 2HD1 LEU 62 2HD1 LEU 62 -0.733 11.418 4.221 484 3HD1 LEU 62 3HD1 LEU 62 0.320 12.453 5.185 485 1HD2 LEU 62 1HD2 LEU 62 2.219 12.762 2.264 486 2HD2 LEU 62 2HD2 LEU 62 2.183 13.503 3.864 487 3HD2 LEU 62 3HD2 LEU 62 1.678 14.430 2.451 488 H ALA 63 H ALA 63 -0.591 11.771 -1.320 489 HA ALA 63 HA ALA 63 2.176 11.189 -1.934 490 1HB ALA 63 1HB ALA 63 -0.273 10.827 -3.688 491 2HB ALA 63 2HB ALA 63 0.280 9.659 -2.488 492 3HB ALA 63 3HB ALA 63 1.286 10.027 -3.889 493 H ARG 64 H ARG 64 -0.016 13.725 -2.811 494 HA ARG 64 HA ARG 64 1.295 14.505 -5.271 495 1HB ARG 64 2HB ARG 64 -0.852 15.523 -3.549 496 2HB ARG 64 1HB ARG 64 0.115 16.802 -4.282 497 1HG ARG 64 2HG ARG 64 -0.978 14.482 -5.884 498 2HG ARG 64 1HG ARG 64 -1.878 15.983 -5.657 499 1HD ARG 64 2HD ARG 64 0.561 16.955 -6.401 500 2HD ARG 64 1HD ARG 64 0.510 15.450 -7.317 501 HE ARG 64 HE ARG 64 -1.814 16.342 -8.097 502 1HH1 ARG 64 1HH2 ARG 64 -0.499 18.829 -6.443 503 2HH1 ARG 64 2HH2 ARG 64 -0.319 19.914 -7.780 504 1HH2 ARG 64 2HH1 ARG 64 -0.981 17.497 -10.176 505 2HH2 ARG 64 1HH1 ARG 64 -0.592 19.160 -9.894 506 H LYS 65 H LYS 65 2.398 14.545 -2.130 507 HA LYS 65 HA LYS 65 4.226 16.833 -2.739 508 1HB LYS 65 2HB LYS 65 2.545 16.309 -0.399 509 2HB LYS 65 1HB LYS 65 4.238 16.563 0.025 510 1HG LYS 65 2HG LYS 65 2.877 18.681 -0.056 511 2HG LYS 65 1HG LYS 65 4.279 18.688 -1.127 512 1HD LYS 65 2HD LYS 65 2.941 18.294 -3.053 513 2HD LYS 65 1HD LYS 65 1.543 17.832 -2.082 514 1HE LYS 65 2HE LYS 65 2.767 20.596 -1.967 515 2HE LYS 65 1HE LYS 65 1.459 20.178 -3.073 516 1HZ LYS 65 1HZ LYS 65 0.947 19.304 -0.401 517 2HZ LYS 65 2HZ LYS 65 -0.018 20.245 -1.435 518 3HZ LYS 65 3HZ LYS 65 1.180 20.982 -0.481 519 H SER 66 H SER 66 4.316 13.728 -2.975 520 HA SER 66 HA SER 66 7.045 13.514 -1.827 521 1HB SER 66 2HB SER 66 5.009 11.312 -1.451 522 2HB SER 66 1HB SER 66 6.610 11.434 -0.730 523 HG SER 66 HG SER 66 5.715 12.521 0.815 524 H SER 67 H SER 67 6.424 13.896 -4.515 525 HA SER 67 HA SER 67 7.184 12.978 -6.555 526 1HB SER 67 2HB SER 67 8.638 11.538 -4.912 527 2HB SER 67 1HB SER 67 7.465 10.274 -5.270 528 HG SER 67 HG SER 67 9.445 10.575 -6.675 529 H LYS 68 H LYS 68 4.531 12.088 -4.756 530 HA LYS 68 HA LYS 68 2.515 11.006 -5.273 531 1HB LYS 68 2HB LYS 68 3.175 11.534 -8.164 532 2HB LYS 68 1HB LYS 68 1.607 11.607 -7.358 533 1HG LYS 68 2HG LYS 68 1.943 13.835 -7.188 534 2HG LYS 68 1HG LYS 68 3.150 13.453 -5.959 535 1HD LYS 68 2HD LYS 68 4.639 14.465 -7.330 536 2HD LYS 68 1HD LYS 68 4.518 13.015 -8.329 537 1HE LYS 68 2HE LYS 68 2.532 15.260 -8.633 538 2HE LYS 68 1HE LYS 68 4.089 15.316 -9.458 539 1HZ LYS 68 1HZ LYS 68 1.795 13.907 -10.198 540 2HZ LYS 68 2HZ LYS 68 2.988 12.764 -9.800 541 3HZ LYS 68 3HZ LYS 68 3.299 13.945 -10.982 542 HA PRO 69 HA PRO 69 4.703 7.203 -6.866 543 1HB PRO 69 2HB PRO 69 5.024 5.939 -4.451 544 2HB PRO 69 1HB PRO 69 6.242 7.024 -5.144 545 1HG PRO 69 2HG PRO 69 4.377 7.510 -2.872 546 2HG PRO 69 1HG PRO 69 5.945 8.259 -3.216 547 1HD PRO 69 2HD PRO 69 3.388 9.409 -3.699 548 2HD PRO 69 1HD PRO 69 4.954 10.027 -4.267 549 H ILE 70 H ILE 70 1.983 7.695 -7.042 550 HA ILE 70 HA ILE 70 0.627 5.585 -5.454 551 HB ILE 70 HB ILE 70 -0.714 7.507 -7.354 552 1HG1 ILE 70 2HG1 ILE 70 -0.821 8.323 -4.572 553 2HG1 ILE 70 1HG1 ILE 70 0.850 8.268 -5.134 554 1HG2 ILE 70 1HG2 ILE 70 -1.500 5.701 -5.102 555 2HG2 ILE 70 2HG2 ILE 70 -2.317 5.999 -6.637 556 3HG2 ILE 70 3HG2 ILE 70 -2.421 7.187 -5.336 557 1HD1 ILE 70 1HD1 ILE 70 0.489 9.873 -6.786 558 2HD1 ILE 70 2HD1 ILE 70 -0.586 10.445 -5.510 559 3HD1 ILE 70 3HD1 ILE 70 -1.240 9.538 -6.874 560 H ILE 71 H ILE 71 0.455 3.620 -6.383 561 HA ILE 71 HA ILE 71 0.329 3.472 -9.368 562 HB ILE 71 HB ILE 71 1.351 1.528 -7.284 563 1HG1 ILE 71 2HG1 ILE 71 2.702 2.374 -9.839 564 2HG1 ILE 71 1HG1 ILE 71 2.741 3.434 -8.429 565 1HG2 ILE 71 1HG2 ILE 71 0.323 1.043 -10.048 566 2HG2 ILE 71 2HG2 ILE 71 0.293 -0.016 -8.638 567 3HG2 ILE 71 3HG2 ILE 71 1.784 0.185 -9.557 568 1HD1 ILE 71 1HD1 ILE 71 3.941 1.884 -7.137 569 2HD1 ILE 71 2HD1 ILE 71 4.666 1.703 -8.734 570 3HD1 ILE 71 3HD1 ILE 71 3.480 0.527 -8.165 571 H THR 72 H THR 72 -1.558 2.668 -10.236 572 HA THR 72 HA THR 72 -3.647 1.804 -8.313 573 HB THR 72 HB THR 72 -3.796 2.587 -11.237 574 HG1 THR 72 HG1 THR 72 -3.900 4.473 -10.353 575 1HG2 THR 72 1HG2 THR 72 -5.474 0.839 -10.474 576 2HG2 THR 72 2HG2 THR 72 -6.174 2.341 -11.076 577 3HG2 THR 72 3HG2 THR 72 -6.088 2.041 -9.340 578 H VAL 73 H VAL 73 -4.281 -0.288 -8.167 579 HA VAL 73 HA VAL 73 -3.225 -2.198 -10.210 580 HB VAL 73 HB VAL 73 -4.112 -2.647 -7.344 581 1HG1 VAL 73 1HG1 VAL 73 -4.567 -4.735 -8.128 582 2HG1 VAL 73 2HG1 VAL 73 -2.813 -4.921 -8.141 583 3HG1 VAL 73 3HG1 VAL 73 -3.663 -4.475 -9.620 584 1HG2 VAL 73 1HG2 VAL 73 -1.946 -2.340 -6.798 585 2HG2 VAL 73 2HG2 VAL 73 -1.663 -1.775 -8.444 586 3HG2 VAL 73 3HG2 VAL 73 -1.426 -3.475 -8.042 587 H ARG 74 H ARG 74 -4.751 -2.817 -11.660 588 HA ARG 74 HA ARG 74 -7.469 -2.248 -11.626 589 1HB ARG 74 2HB ARG 74 -5.881 -4.469 -12.876 590 2HB ARG 74 1HB ARG 74 -7.641 -4.490 -12.998 591 1HG ARG 74 2HG ARG 74 -6.177 -1.954 -13.641 592 2HG ARG 74 1HG ARG 74 -6.196 -3.253 -14.834 593 1HD ARG 74 2HD ARG 74 -8.686 -3.319 -14.664 594 2HD ARG 74 1HD ARG 74 -8.619 -1.937 -13.572 595 HE ARG 74 HE ARG 74 -7.282 -0.946 -15.706 596 1HH1 ARG 74 2HH1 ARG 74 -9.359 -3.439 -16.422 597 2HH1 ARG 74 1HH1 ARG 74 -10.430 -2.516 -17.422 598 1HH2 ARG 74 1HH2 ARG 74 -9.007 0.534 -16.589 599 2HH2 ARG 74 2HH2 ARG 74 -10.232 -0.268 -17.516 600 HA PRO 75 HA PRO 75 -9.252 -4.837 -8.560 601 1HB PRO 75 2HB PRO 75 -11.801 -5.000 -9.577 602 2HB PRO 75 1HB PRO 75 -11.154 -3.555 -8.782 603 1HG PRO 75 2HG PRO 75 -11.633 -4.044 -11.685 604 2HG PRO 75 1HG PRO 75 -11.605 -2.513 -10.795 605 1HD PRO 75 2HD PRO 75 -9.517 -3.527 -12.418 606 2HD PRO 75 1HD PRO 75 -9.387 -2.177 -11.270 607 H TYR 76 H TYR 76 -10.258 -7.000 -8.268 608 HA TYR 76 HA TYR 76 -9.128 -9.058 -9.777 609 1HB TYR 76 2HB TYR 76 -10.338 -9.282 -7.560 610 2HB TYR 76 1HB TYR 76 -11.852 -9.238 -8.465 611 HD1 TYR 76 HD1 TYR 76 -8.510 -10.919 -8.845 612 HD2 TYR 76 HD2 TYR 76 -12.788 -11.330 -8.861 613 HE1 TYR 76 HE1 TYR 76 -8.275 -13.336 -9.355 614 HE2 TYR 76 HE2 TYR 76 -12.553 -13.746 -9.371 615 HH TYR 76 HH TYR 76 -9.688 -15.430 -9.021 616 H GLY 77 H GLY 77 -11.890 -7.087 -10.545 617 1HA GLY 77 2HA GLY 77 -12.293 -7.107 -13.082 618 2HA GLY 77 1HA GLY 77 -12.467 -8.852 -12.891 619 H LEU 78 H LEU 78 -13.667 -6.391 -10.643 620 HA LEU 78 HA LEU 78 -16.390 -7.520 -11.004 621 1HB LEU 78 2HB LEU 78 -15.223 -5.652 -8.919 622 2HB LEU 78 1HB LEU 78 -16.908 -6.171 -8.950 623 HG LEU 78 HG LEU 78 -15.336 -8.513 -9.222 624 1HD1 LEU 78 1HD1 LEU 78 -13.381 -7.597 -8.311 625 2HD1 LEU 78 2HD1 LEU 78 -14.189 -8.246 -6.885 626 3HD1 LEU 78 3HD1 LEU 78 -14.271 -6.520 -7.236 627 1HD2 LEU 78 1HD2 LEU 78 -17.355 -8.774 -8.110 628 2HD2 LEU 78 2HD2 LEU 78 -17.163 -7.277 -7.197 629 3HD2 LEU 78 3HD2 LEU 78 -16.255 -8.716 -6.732 630 H GLU 79 H GLU 79 -14.567 -4.530 -11.405 631 HA GLU 79 HA GLU 79 -16.781 -3.467 -13.043 632 1HB GLU 79 2HB GLU 79 -16.840 -2.709 -10.499 633 2HB GLU 79 1HB GLU 79 -15.574 -1.603 -11.034 634 1HG GLU 79 2HG GLU 79 -17.416 -1.345 -13.051 635 2HG GLU 79 1HG GLU 79 -18.456 -1.591 -11.648 636 H ASN 80 H ASN 80 -15.340 -0.792 -12.820 637 HA ASN 80 HA ASN 80 -12.740 -1.412 -14.081 638 1HB ASN 80 2HB ASN 80 -13.232 -0.142 -16.098 639 2HB ASN 80 1HB ASN 80 -14.449 -1.407 -15.919 640 1HD2 ASN 80 1HD2 ASN 80 -16.640 -0.765 -15.500 641 2HD2 ASN 80 2HD2 ASN 80 -17.131 0.860 -15.492 642 H VAL 81 H VAL 81 -11.255 0.249 -13.756 643 HA VAL 81 HA VAL 81 -11.914 2.254 -11.785 644 HB VAL 81 HB VAL 81 -9.487 2.535 -13.514 645 1HG1 VAL 81 1HG1 VAL 81 -10.275 2.936 -10.645 646 2HG1 VAL 81 2HG1 VAL 81 -9.474 4.055 -11.747 647 3HG1 VAL 81 3HG1 VAL 81 -8.574 2.709 -11.049 648 1HG2 VAL 81 1HG2 VAL 81 -8.461 0.743 -11.925 649 2HG2 VAL 81 2HG2 VAL 81 -9.400 0.187 -13.311 650 3HG2 VAL 81 3HG2 VAL 81 -10.127 0.208 -11.704 651 HA PRO 82 HA PRO 82 -13.367 5.362 -14.560 652 1HB PRO 82 2HB PRO 82 -13.304 7.453 -12.778 653 2HB PRO 82 1HB PRO 82 -14.552 6.195 -12.767 654 1HG PRO 82 2HG PRO 82 -12.264 6.582 -10.898 655 2HG PRO 82 1HG PRO 82 -13.814 5.771 -10.620 656 1HD PRO 82 2HD PRO 82 -11.329 4.500 -11.137 657 2HD PRO 82 1HD PRO 82 -12.925 3.723 -11.138 658 HA PRO 83 HA PRO 83 -9.908 7.747 -15.930 659 1HB PRO 83 2HB PRO 83 -11.132 10.053 -16.783 660 2HB PRO 83 1HB PRO 83 -11.245 8.510 -17.645 661 1HG PRO 83 2HG PRO 83 -13.304 9.886 -15.987 662 2HG PRO 83 1HG PRO 83 -13.519 8.728 -17.310 663 1HD PRO 83 2HD PRO 83 -13.717 8.158 -14.534 664 2HD PRO 83 1HD PRO 83 -13.650 6.967 -15.851 665 H GLU 84 H GLU 84 -10.972 8.286 -12.996 666 HA GLU 84 HA GLU 84 -9.920 11.046 -12.673 667 1HB GLU 84 2HB GLU 84 -11.814 9.337 -11.202 668 2HB GLU 84 1HB GLU 84 -10.695 10.224 -10.167 669 1HG GLU 84 2HG GLU 84 -11.335 12.221 -11.822 670 2HG GLU 84 1HG GLU 84 -12.806 11.263 -12.005 671 H LEU 85 H LEU 85 -8.859 7.846 -12.499 672 HA LEU 85 HA LEU 85 -6.839 8.470 -10.403 673 1HB LEU 85 2HB LEU 85 -8.114 6.019 -11.407 674 2HB LEU 85 1HB LEU 85 -6.370 5.871 -11.196 675 HG LEU 85 HG LEU 85 -8.007 7.156 -9.033 676 1HD1 LEU 85 1HD1 LEU 85 -8.378 4.970 -8.000 677 2HD1 LEU 85 2HD1 LEU 85 -7.598 4.170 -9.364 678 3HD1 LEU 85 3HD1 LEU 85 -9.133 5.008 -9.594 679 1HD2 LEU 85 1HD2 LEU 85 -6.134 6.797 -7.755 680 2HD2 LEU 85 2HD2 LEU 85 -5.344 6.783 -9.332 681 3HD2 LEU 85 3HD2 LEU 85 -5.766 5.263 -8.543 682 H GLU 86 H GLU 86 -7.019 7.171 -13.734 683 HA GLU 86 HA GLU 86 -4.258 7.049 -14.266 684 1HB GLU 86 2HB GLU 86 -4.971 7.546 -16.681 685 2HB GLU 86 1HB GLU 86 -5.740 6.159 -15.908 686 1HG GLU 86 2HG GLU 86 -7.744 7.096 -16.315 687 2HG GLU 86 1HG GLU 86 -7.307 8.418 -15.233 688 H ALA 87 H ALA 87 -6.283 9.821 -13.819 689 HA ALA 87 HA ALA 87 -4.595 11.707 -15.243 690 1HB ALA 87 1HB ALA 87 -6.529 12.843 -14.944 691 2HB ALA 87 2HB ALA 87 -5.959 13.159 -13.304 692 3HB ALA 87 3HB ALA 87 -7.027 11.791 -13.619 693 H VAL 88 H VAL 88 -5.106 11.081 -11.749 694 HA VAL 88 HA VAL 88 -2.530 12.462 -11.204 695 HB VAL 88 HB VAL 88 -3.250 12.305 -8.819 696 1HG1 VAL 88 1HG1 VAL 88 -5.677 13.484 -9.719 697 2HG1 VAL 88 2HG1 VAL 88 -4.449 13.825 -10.938 698 3HG1 VAL 88 3HG1 VAL 88 -4.184 14.302 -9.261 699 1HG2 VAL 88 1HG2 VAL 88 -4.973 10.322 -9.879 700 2HG2 VAL 88 2HG2 VAL 88 -6.013 11.637 -9.330 701 3HG2 VAL 88 3HG2 VAL 88 -4.885 10.878 -8.207 702 H SER 89 H SER 89 -2.808 9.712 -12.403 703 HA SER 89 HA SER 89 -1.602 8.072 -10.228 704 1HB SER 89 2HB SER 89 -2.955 7.433 -12.834 705 2HB SER 89 1HB SER 89 -1.838 6.268 -12.129 706 HG SER 89 HG SER 89 -3.376 7.111 -10.171 707 H SER 90 H SER 90 0.481 7.200 -10.472 708 HA SER 90 HA SER 90 2.135 8.513 -12.568 709 1HB SER 90 2HB SER 90 2.744 8.608 -10.081 710 2HB SER 90 1HB SER 90 3.124 6.893 -10.213 711 HG SER 90 HG SER 90 4.169 8.649 -12.122 712 H GLU 91 H GLU 91 1.043 5.381 -11.435 713 HA GLU 91 HA GLU 91 1.997 4.161 -13.939 714 1HB GLU 91 2HB GLU 91 3.240 3.670 -11.291 715 2HB GLU 91 1HB GLU 91 2.849 2.225 -12.226 716 1HG GLU 91 2HG GLU 91 4.802 2.592 -13.310 717 2HG GLU 91 1HG GLU 91 3.955 3.906 -14.127 718 H VAL 92 H VAL 92 0.947 2.080 -14.318 719 HA VAL 92 HA VAL 92 -1.189 1.360 -12.381 720 HB VAL 92 HB VAL 92 -2.784 1.166 -14.360 721 1HG1 VAL 92 1HG1 VAL 92 -3.614 3.166 -13.702 722 2HG1 VAL 92 2HG1 VAL 92 -2.192 4.032 -14.280 723 3HG1 VAL 92 3HG1 VAL 92 -2.184 3.293 -12.679 724 1HG2 VAL 92 1HG2 VAL 92 -2.030 2.945 -16.171 725 2HG2 VAL 92 2HG2 VAL 92 -1.483 1.273 -16.289 726 3HG2 VAL 92 3HG2 VAL 92 -0.412 2.505 -15.622 727 H VAL 93 H VAL 93 -1.326 -0.829 -12.173 728 HA VAL 93 HA VAL 93 -0.319 -2.523 -14.415 729 HB VAL 93 HB VAL 93 0.754 -4.009 -12.718 730 1HG1 VAL 93 1HG1 VAL 93 2.588 -2.297 -12.091 731 2HG1 VAL 93 2HG1 VAL 93 1.612 -1.128 -12.981 732 3HG1 VAL 93 3HG1 VAL 93 2.260 -2.545 -13.806 733 1HG2 VAL 93 1HG2 VAL 93 -0.021 -1.735 -10.867 734 2HG2 VAL 93 2HG2 VAL 93 1.143 -2.991 -10.446 735 3HG2 VAL 93 3HG2 VAL 93 -0.540 -3.417 -10.755 736 H GLY 94 H GLY 94 -0.808 -4.998 -13.427 737 1HA GLY 94 2HA GLY 94 -3.615 -4.946 -12.420 738 2HA GLY 94 1HA GLY 94 -3.224 -5.878 -13.866 739 H TRP 95 H TRP 95 -3.691 -7.908 -12.935 740 HA TRP 95 HA TRP 95 -2.282 -8.683 -10.458 741 1HB TRP 95 2HB TRP 95 -4.204 -10.190 -12.256 742 2HB TRP 95 1HB TRP 95 -3.511 -10.843 -10.773 743 HD1 TRP 95 HD1 TRP 95 -5.875 -8.099 -12.021 744 HE1 TRP 95 HE1 TRP 95 -7.354 -7.331 -10.054 745 HE3 TRP 95 HE3 TRP 95 -3.699 -10.711 -8.207 746 HZ2 TRP 95 HZ2 TRP 95 -7.584 -7.767 -7.235 747 HZ3 TRP 95 HZ3 TRP 95 -4.566 -10.517 -5.893 748 HH2 TRP 95 HH2 TRP 95 -6.505 -9.049 -5.403 749 H ASN 96 H ASN 96 -0.179 -8.306 -11.749 750 HA ASN 96 HA ASN 96 0.652 -10.931 -12.867 751 1HB ASN 96 2HB ASN 96 0.723 -8.281 -14.257 752 2HB ASN 96 1HB ASN 96 2.055 -9.404 -14.530 753 1HD2 ASN 96 1HD2 ASN 96 1.266 -9.683 -16.789 754 2HD2 ASN 96 2HD2 ASN 96 -0.079 -10.669 -17.101 755 HA PRO 97 HA PRO 97 4.154 -10.139 -10.328 756 1HB PRO 97 2HB PRO 97 5.860 -11.974 -11.456 757 2HB PRO 97 1HB PRO 97 4.521 -12.415 -10.383 758 1HG PRO 97 2HG PRO 97 4.731 -12.713 -13.345 759 2HG PRO 97 1HG PRO 97 3.774 -13.654 -12.187 760 1HD PRO 97 2HD PRO 97 2.786 -11.615 -13.883 761 2HD PRO 97 1HD PRO 97 1.930 -12.326 -12.498 762 H HIS 98 H HIS 98 4.669 -10.291 -13.851 763 HA HIS 98 HA HIS 98 7.201 -8.873 -13.762 764 1HB HIS 98 2HB HIS 98 5.267 -9.390 -16.040 765 2HB HIS 98 1HB HIS 98 6.878 -8.697 -16.234 766 HD1 HIS 98 HD1 HIS 98 6.555 -11.269 -17.668 767 HD2 HIS 98 HD2 HIS 98 7.582 -11.173 -13.629 768 HE1 HIS 98 HE1 HIS 98 7.646 -13.495 -17.154 769 H CYS 99 H CYS 99 3.830 -7.951 -14.432 770 HA CYS 99 HA CYS 99 4.283 -5.263 -15.196 771 1HB CYS 99 2HB CYS 99 2.015 -6.809 -14.077 772 2HB CYS 99 1HB CYS 99 1.938 -5.064 -13.836 773 HG CYS 99 HG CYS 99 2.461 -6.136 -16.714 774 H ILE 100 H ILE 100 3.374 -6.426 -11.926 775 HA ILE 100 HA ILE 100 3.747 -4.010 -10.552 776 HB ILE 100 HB ILE 100 4.266 -6.854 -9.643 777 1HG1 ILE 100 2HG1 ILE 100 1.948 -4.951 -9.167 778 2HG1 ILE 100 1HG1 ILE 100 1.942 -6.278 -10.330 779 1HG2 ILE 100 1HG2 ILE 100 3.856 -4.434 -7.874 780 2HG2 ILE 100 2HG2 ILE 100 5.461 -5.027 -8.303 781 3HG2 ILE 100 3HG2 ILE 100 4.354 -6.055 -7.394 782 1HD1 ILE 100 1HD1 ILE 100 2.820 -7.381 -7.878 783 2HD1 ILE 100 2HD1 ILE 100 1.276 -7.659 -8.685 784 3HD1 ILE 100 3HD1 ILE 100 1.429 -6.367 -7.494 785 H ARG 101 H ARG 101 6.153 -6.299 -11.715 786 HA ARG 101 HA ARG 101 8.366 -5.224 -10.207 787 1HB ARG 101 2HB ARG 101 8.183 -6.865 -12.740 788 2HB ARG 101 1HB ARG 101 9.730 -6.351 -12.067 789 1HG ARG 101 2HG ARG 101 9.409 -7.590 -10.076 790 2HG ARG 101 1HG ARG 101 7.681 -7.782 -10.376 791 1HD ARG 101 2HD ARG 101 8.148 -9.767 -11.334 792 2HD ARG 101 1HD ARG 101 8.942 -8.880 -12.635 793 HE ARG 101 HE ARG 101 10.630 -9.332 -10.279 794 1HH1 ARG 101 2HH1 ARG 101 11.302 -9.080 -13.309 795 2HH1 ARG 101 1HH1 ARG 101 11.892 -10.679 -13.619 796 1HH2 ARG 101 1HH2 ARG 101 10.617 -12.004 -10.679 797 2HH2 ARG 101 2HH2 ARG 101 11.503 -12.334 -12.131 798 H ASP 102 H ASP 102 6.992 -4.497 -13.398 799 HA ASP 102 HA ASP 102 9.067 -2.709 -14.243 800 1HB ASP 102 2HB ASP 102 7.488 -3.558 -15.868 801 2HB ASP 102 1HB ASP 102 6.131 -2.861 -14.981 802 H ALA 103 H ALA 103 6.000 -2.149 -12.515 803 HA ALA 103 HA ALA 103 6.357 0.716 -12.367 804 1HB ALA 103 1HB ALA 103 4.754 -0.200 -10.193 805 2HB ALA 103 2HB ALA 103 4.371 -1.197 -11.596 806 3HB ALA 103 3HB ALA 103 4.218 0.558 -11.692 807 H LEU 104 H LEU 104 7.534 -1.978 -10.500 808 HA LEU 104 HA LEU 104 8.168 -0.442 -8.117 809 1HB LEU 104 2HB LEU 104 7.888 -2.948 -8.177 810 2HB LEU 104 1HB LEU 104 9.420 -3.042 -9.044 811 HG LEU 104 HG LEU 104 10.617 -2.071 -7.194 812 1HD1 LEU 104 1HD1 LEU 104 9.408 -0.424 -6.165 813 2HD1 LEU 104 2HD1 LEU 104 8.967 -1.731 -5.066 814 3HD1 LEU 104 3HD1 LEU 104 7.878 -1.275 -6.377 815 1HD2 LEU 104 1HD2 LEU 104 9.260 -3.675 -5.324 816 2HD2 LEU 104 2HD2 LEU 104 10.611 -4.164 -6.347 817 3HD2 LEU 104 3HD2 LEU 104 8.953 -4.432 -6.887 818 H GLU 105 H GLU 105 10.329 -1.930 -10.568 819 HA GLU 105 HA GLU 105 12.662 -0.528 -9.788 820 1HB GLU 105 2HB GLU 105 12.555 -2.471 -11.397 821 2HB GLU 105 1HB GLU 105 11.959 -1.348 -12.621 822 1HG GLU 105 2HG GLU 105 13.997 0.015 -12.378 823 2HG GLU 105 1HG GLU 105 14.595 -1.092 -11.141 824 H ASP 106 H ASP 106 9.835 0.618 -11.370 825 HA ASP 106 HA ASP 106 11.014 2.803 -12.836 826 1HB ASP 106 2HB ASP 106 8.509 1.730 -12.709 827 2HB ASP 106 1HB ASP 106 8.291 3.191 -11.744 828 H ALA 107 H ALA 107 9.757 2.462 -9.535 829 HA ALA 107 HA ALA 107 10.001 5.250 -8.854 830 1HB ALA 107 1HB ALA 107 9.948 2.744 -7.151 831 2HB ALA 107 2HB ALA 107 8.603 3.834 -7.487 832 3HB ALA 107 3HB ALA 107 9.947 4.376 -6.482 833 H LEU 108 H LEU 108 12.260 2.580 -8.970 834 HA LEU 108 HA LEU 108 14.290 3.723 -7.285 835 1HB LEU 108 2HB LEU 108 14.395 1.371 -7.864 836 2HB LEU 108 1HB LEU 108 14.463 1.754 -9.585 837 HG LEU 108 HG LEU 108 16.597 3.091 -9.015 838 1HD1 LEU 108 1HD1 LEU 108 16.629 3.249 -6.683 839 2HD1 LEU 108 2HD1 LEU 108 17.725 1.897 -6.965 840 3HD1 LEU 108 3HD1 LEU 108 16.062 1.593 -6.464 841 1HD2 LEU 108 1HD2 LEU 108 16.912 1.121 -10.264 842 2HD2 LEU 108 2HD2 LEU 108 16.325 0.090 -8.959 843 3HD2 LEU 108 3HD2 LEU 108 17.914 0.846 -8.839 844 H ASP 109 H ASP 109 14.497 3.358 -10.835 845 HA ASP 109 HA ASP 109 16.472 5.365 -11.181 846 1HB ASP 109 2HB ASP 109 15.757 3.637 -12.888 847 2HB ASP 109 1HB ASP 109 14.335 4.633 -13.201 848 H VAL 110 H VAL 110 15.991 7.304 -10.114 849 HA VAL 110 HA VAL 110 13.425 8.648 -10.794 850 HB VAL 110 HB VAL 110 14.124 8.480 -8.394 851 1HG1 VAL 110 1HG1 VAL 110 16.002 9.897 -7.640 852 2HG1 VAL 110 2HG1 VAL 110 16.352 10.322 -9.315 853 3HG1 VAL 110 3HG1 VAL 110 16.558 8.660 -8.766 854 1HG2 VAL 110 1HG2 VAL 110 14.187 11.349 -9.357 855 2HG2 VAL 110 2HG2 VAL 110 13.514 10.728 -7.849 856 3HG2 VAL 110 3HG2 VAL 110 12.717 10.376 -9.383 857 H ILE 111 HN ILE 111 16.208 8.401 -12.317 858 HA ILE 111 HA ILE 111 17.356 9.774 -13.836 859 HB ILE 111 HB ILE 111 15.078 11.717 -13.341 860 1HG1 ILE 111 2HG1 ILE 111 14.917 10.114 -15.763 861 2HG1 ILE 111 1HG1 ILE 111 14.922 9.091 -14.325 862 1HG2 ILE 111 1HG2 ILE 111 15.668 12.643 -15.467 863 2HG2 ILE 111 2HG2 ILE 111 16.762 11.306 -15.822 864 3HG2 ILE 111 3HG2 ILE 111 17.180 12.481 -14.574 865 1HD1 ILE 111 1HD1 ILE 111 13.030 11.369 -14.957 866 2HD1 ILE 111 2HD1 ILE 111 13.137 10.620 -13.365 867 3HD1 ILE 111 3HD1 ILE 111 12.627 9.665 -14.756 Start of MODEL 2 1 1H VAL 1 1H VAL 1 23.251 -1.874 -3.231 2 2H VAL 1 2H VAL 1 21.591 -2.222 -3.126 3 3H VAL 1 3H VAL 1 22.454 -2.606 -4.538 4 HA VAL 1 HA VAL 1 23.114 -4.555 -3.741 5 HB VAL 1 HB VAL 1 24.141 -4.725 -1.467 6 1HG1 VAL 1 1HG1 VAL 1 25.180 -2.268 -2.883 7 2HG1 VAL 1 2HG1 VAL 1 25.341 -3.877 -3.584 8 3HG1 VAL 1 3HG1 VAL 1 26.099 -3.511 -2.034 9 1HG2 VAL 1 1HG2 VAL 1 22.914 -3.169 -0.166 10 2HG2 VAL 1 2HG2 VAL 1 23.144 -1.877 -1.343 11 3HG2 VAL 1 3HG2 VAL 1 24.498 -2.418 -0.352 12 H THR 2 H THR 2 20.479 -4.274 -3.872 13 HA THR 2 HA THR 2 18.398 -4.849 -2.919 14 HB THR 2 HB THR 2 19.298 -6.886 -1.126 15 HG1 THR 2 HG1 THR 2 20.493 -7.898 -3.093 16 1HG2 THR 2 1HG2 THR 2 17.467 -6.554 -3.163 17 2HG2 THR 2 2HG2 THR 2 17.813 -8.080 -2.347 18 3HG2 THR 2 3HG2 THR 2 18.620 -7.689 -3.865 19 H ALA 3 H ALA 3 18.586 -2.705 -1.688 20 HA ALA 3 HA ALA 3 19.088 -3.089 1.214 21 1HB ALA 3 1HB ALA 3 20.050 -1.060 0.733 22 2HB ALA 3 2HB ALA 3 18.407 -0.482 1.011 23 3HB ALA 3 3HB ALA 3 18.977 -0.760 -0.634 24 H GLU 4 H GLU 4 16.717 -4.196 -0.262 25 HA GLU 4 HA GLU 4 14.430 -4.471 0.184 26 1HB GLU 4 2HB GLU 4 14.777 -2.656 2.568 27 2HB GLU 4 1HB GLU 4 13.680 -4.023 2.378 28 1HG GLU 4 2HG GLU 4 16.119 -5.219 1.992 29 2HG GLU 4 1HG GLU 4 16.511 -3.990 3.195 30 H ILE 5 H ILE 5 12.359 -3.072 0.505 31 HA ILE 5 HA ILE 5 12.790 -0.290 -0.469 32 HB ILE 5 HB ILE 5 10.776 -2.194 -1.694 33 1HG1 ILE 5 2HG1 ILE 5 13.527 -1.329 -2.634 34 2HG1 ILE 5 1HG1 ILE 5 12.979 -2.975 -2.312 35 1HG2 ILE 5 1HG2 ILE 5 11.795 0.434 -2.779 36 2HG2 ILE 5 2HG2 ILE 5 10.421 0.364 -1.676 37 3HG2 ILE 5 3HG2 ILE 5 10.339 -0.450 -3.239 38 1HD1 ILE 5 1HD1 ILE 5 12.752 -2.880 -4.626 39 2HD1 ILE 5 2HD1 ILE 5 12.310 -1.173 -4.615 40 3HD1 ILE 5 3HD1 ILE 5 11.138 -2.391 -4.110 41 H ARG 6 H ARG 6 11.277 1.166 0.341 42 HA ARG 6 HA ARG 6 9.435 0.080 2.392 43 1HB ARG 6 2HB ARG 6 10.903 2.568 2.003 44 2HB ARG 6 1HB ARG 6 9.206 2.864 2.386 45 1HG ARG 6 2HG ARG 6 10.383 2.714 4.481 46 2HG ARG 6 1HG ARG 6 9.455 1.224 4.300 47 1HD ARG 6 2HD ARG 6 11.662 0.587 5.014 48 2HD ARG 6 1HD ARG 6 11.534 0.169 3.306 49 HE ARG 6 HE ARG 6 12.598 2.797 3.479 50 1HH1 ARG 6 2HH1 ARG 6 13.840 0.515 1.954 51 2HH1 ARG 6 1HH1 ARG 6 15.336 0.298 2.798 52 1HH2 ARG 6 1HH2 ARG 6 14.336 2.104 5.582 53 2HH2 ARG 6 2HH2 ARG 6 15.618 1.197 4.851 54 H LEU 7 H LEU 7 7.645 -0.680 1.247 55 HA LEU 7 HA LEU 7 6.303 1.257 -0.587 56 1HB LEU 7 2HB LEU 7 6.075 -1.751 -0.308 57 2HB LEU 7 1HB LEU 7 5.002 -0.788 -1.323 58 HG LEU 7 HG LEU 7 7.574 0.078 -2.005 59 1HD1 LEU 7 1HD1 LEU 7 9.005 -1.698 -2.055 60 2HD1 LEU 7 2HD1 LEU 7 7.717 -2.852 -2.398 61 3HD1 LEU 7 3HD1 LEU 7 7.991 -2.302 -0.745 62 1HD2 LEU 7 1HD2 LEU 7 5.304 -0.710 -3.275 63 2HD2 LEU 7 2HD2 LEU 7 6.353 -2.081 -3.636 64 3HD2 LEU 7 3HD2 LEU 7 6.837 -0.453 -4.109 65 H TYR 8 H TYR 8 3.952 1.466 -0.373 66 HA TYR 8 HA TYR 8 2.982 0.792 2.377 67 1HB TYR 8 2HB TYR 8 3.490 3.266 1.903 68 2HB TYR 8 1HB TYR 8 2.111 3.222 0.805 69 HD1 TYR 8 HD1 TYR 8 0.372 4.400 1.861 70 HD2 TYR 8 HD2 TYR 8 2.653 1.525 4.098 71 HE1 TYR 8 HE1 TYR 8 -1.172 4.671 3.785 72 HE2 TYR 8 HE2 TYR 8 1.111 1.797 6.021 73 HH TYR 8 HH TYR 8 -1.868 3.143 5.812 74 H ILE 9 H ILE 9 1.303 -0.610 2.263 75 HA ILE 9 HA ILE 9 -0.379 -0.574 -0.210 76 HB ILE 9 HB ILE 9 -0.168 -2.851 1.769 77 1HG1 ILE 9 2HG1 ILE 9 1.410 -2.512 -0.800 78 2HG1 ILE 9 1HG1 ILE 9 2.082 -2.236 0.807 79 1HG2 ILE 9 1HG2 ILE 9 -1.016 -4.160 -0.114 80 2HG2 ILE 9 2HG2 ILE 9 -0.949 -2.743 -1.160 81 3HG2 ILE 9 3HG2 ILE 9 -2.091 -2.794 0.183 82 1HD1 ILE 9 1HD1 ILE 9 1.287 -4.799 -0.500 83 2HD1 ILE 9 2HD1 ILE 9 1.052 -4.663 1.243 84 3HD1 ILE 9 3HD1 ILE 9 2.661 -4.453 0.551 85 H THR 10 H THR 10 -2.526 -0.107 0.025 86 HA THR 10 HA THR 10 -3.566 1.001 2.416 87 HB THR 10 HB THR 10 -5.532 -0.295 0.622 88 HG1 THR 10 HG1 THR 10 -3.545 1.501 -0.269 89 1HG2 THR 10 1HG2 THR 10 -5.676 1.668 2.429 90 2HG2 THR 10 2HG2 THR 10 -6.711 1.648 0.999 91 3HG2 THR 10 3HG2 THR 10 -5.258 2.648 1.023 92 H GLU 11 H GLU 11 -6.041 -0.287 2.839 93 HA GLU 11 HA GLU 11 -5.355 -3.065 3.630 94 1HB GLU 11 2HB GLU 11 -6.545 -2.408 5.902 95 2HB GLU 11 1HB GLU 11 -4.819 -2.114 5.684 96 1HG GLU 11 2HG GLU 11 -5.267 0.204 5.032 97 2HG GLU 11 1HG GLU 11 -7.003 -0.075 5.161 98 H GLY 12 H GLY 12 -7.297 -4.337 4.133 99 1HA GLY 12 2HA GLY 12 -9.943 -3.243 3.943 100 2HA GLY 12 1HA GLY 12 -9.459 -3.892 2.376 101 H GLU 13 H GLU 13 -11.465 -5.266 3.135 102 HA GLU 13 HA GLU 13 -10.357 -7.785 4.269 103 1HB GLU 13 2HB GLU 13 -11.880 -6.171 5.838 104 2HB GLU 13 1HB GLU 13 -13.141 -7.124 5.054 105 1HG GLU 13 2HG GLU 13 -12.447 -9.099 6.021 106 2HG GLU 13 1HG GLU 13 -10.761 -8.587 6.107 107 H VAL 14 H VAL 14 -10.871 -7.090 1.543 108 HA VAL 14 HA VAL 14 -13.282 -8.764 0.963 109 HB VAL 14 HB VAL 14 -13.173 -7.608 -1.311 110 1HG1 VAL 14 1HG1 VAL 14 -14.611 -5.969 -0.554 111 2HG1 VAL 14 2HG1 VAL 14 -13.553 -5.508 0.778 112 3HG1 VAL 14 3HG1 VAL 14 -14.538 -6.966 0.899 113 1HG2 VAL 14 1HG2 VAL 14 -10.722 -6.782 -0.494 114 2HG2 VAL 14 2HG2 VAL 14 -11.685 -5.381 -0.025 115 3HG2 VAL 14 3HG2 VAL 14 -11.673 -5.919 -1.703 116 H GLU 15 H GLU 15 -12.830 -9.500 -1.603 117 HA GLU 15 HA GLU 15 -10.592 -11.382 -1.312 118 1HB GLU 15 2HB GLU 15 -13.068 -11.337 -2.721 119 2HB GLU 15 1HB GLU 15 -11.782 -11.487 -3.919 120 1HG GLU 15 2HG GLU 15 -11.303 -13.162 -1.575 121 2HG GLU 15 1HG GLU 15 -12.820 -13.561 -2.382 122 H ASP 16 H ASP 16 -11.006 -8.264 -2.565 123 HA ASP 16 HA ASP 16 -9.155 -8.484 -4.804 124 1HB ASP 16 2HB ASP 16 -10.061 -6.018 -3.287 125 2HB ASP 16 1HB ASP 16 -9.283 -6.041 -4.870 126 H TYR 17 H TYR 17 -8.793 -6.391 -1.932 127 HA TYR 17 HA TYR 17 -6.006 -6.152 -2.049 128 1HB TYR 17 2HB TYR 17 -7.341 -4.801 -0.520 129 2HB TYR 17 1HB TYR 17 -7.787 -6.235 0.405 130 HD1 TYR 17 HD1 TYR 17 -4.431 -5.700 -1.054 131 HD2 TYR 17 HD2 TYR 17 -6.822 -5.527 2.513 132 HE1 TYR 17 HE1 TYR 17 -2.375 -5.456 0.313 133 HE2 TYR 17 HE2 TYR 17 -4.766 -5.283 3.880 134 HH TYR 17 HH TYR 17 -1.908 -4.361 2.750 135 H ARG 18 H ARG 18 -7.925 -8.855 -0.948 136 HA ARG 18 HA ARG 18 -5.802 -10.177 0.513 137 1HB ARG 18 2HB ARG 18 -8.343 -10.611 0.657 138 2HB ARG 18 1HB ARG 18 -8.131 -11.574 -0.806 139 1HG ARG 18 2HG ARG 18 -7.477 -13.296 0.488 140 2HG ARG 18 1HG ARG 18 -6.053 -12.355 0.936 141 1HD ARG 18 2HD ARG 18 -7.085 -11.501 2.883 142 2HD ARG 18 1HD ARG 18 -8.699 -11.936 2.323 143 HE ARG 18 HE ARG 18 -8.010 -14.340 2.676 144 1HH1 ARG 18 1HH2 ARG 18 -5.139 -14.101 3.150 145 2HH1 ARG 18 2HH2 ARG 18 -5.016 -14.039 4.876 146 1HH2 ARG 18 2HH1 ARG 18 -8.359 -13.247 5.351 147 2HH2 ARG 18 1HH1 ARG 18 -6.839 -13.555 6.123 148 H VAL 19 H VAL 19 -7.358 -11.238 -2.530 149 HA VAL 19 HA VAL 19 -5.474 -13.061 -3.395 150 HB VAL 19 HB VAL 19 -6.912 -11.003 -5.097 151 1HG1 VAL 19 1HG1 VAL 19 -5.122 -11.953 -6.397 152 2HG1 VAL 19 2HG1 VAL 19 -6.606 -12.773 -6.883 153 3HG1 VAL 19 3HG1 VAL 19 -5.471 -13.574 -5.796 154 1HG2 VAL 19 1HG2 VAL 19 -8.736 -12.400 -5.062 155 2HG2 VAL 19 2HG2 VAL 19 -8.056 -12.861 -3.502 156 3HG2 VAL 19 3HG2 VAL 19 -7.749 -13.855 -4.927 157 H PHE 20 H PHE 20 -5.305 -9.526 -3.863 158 HA PHE 20 HA PHE 20 -2.875 -9.499 -5.343 159 1HB PHE 20 2HB PHE 20 -4.271 -7.507 -5.164 160 2HB PHE 20 1HB PHE 20 -4.007 -7.444 -3.421 161 HD1 PHE 20 HD1 PHE 20 -2.313 -6.065 -2.610 162 HD2 PHE 20 HD2 PHE 20 -2.033 -7.605 -6.613 163 HE1 PHE 20 HE1 PHE 20 -0.235 -4.756 -2.969 164 HE2 PHE 20 HE2 PHE 20 0.043 -6.295 -6.972 165 HZ PHE 20 HZ PHE 20 0.943 -4.871 -5.150 166 H LEU 21 H LEU 21 -3.446 -9.315 -1.823 167 HA LEU 21 HA LEU 21 -0.746 -8.976 -1.027 168 1HB LEU 21 2HB LEU 21 -3.112 -9.187 0.302 169 2HB LEU 21 1HB LEU 21 -2.395 -10.757 0.668 170 HG LEU 21 HG LEU 21 -0.989 -8.098 1.054 171 1HD1 LEU 21 1HD1 LEU 21 -1.362 -8.471 3.451 172 2HD1 LEU 21 2HD1 LEU 21 -2.239 -9.959 3.099 173 3HD1 LEU 21 3HD1 LEU 21 -2.907 -8.404 2.603 174 1HD2 LEU 21 1HD2 LEU 21 0.764 -9.582 0.912 175 2HD2 LEU 21 2HD2 LEU 21 -0.237 -10.968 1.342 176 3HD2 LEU 21 3HD2 LEU 21 0.331 -9.868 2.597 177 H GLU 22 H GLU 22 -2.575 -11.948 -1.731 178 HA GLU 22 HA GLU 22 -0.542 -13.789 -0.947 179 1HB GLU 22 2HB GLU 22 -3.025 -13.868 -2.514 180 2HB GLU 22 1HB GLU 22 -1.818 -15.034 -3.056 181 1HG GLU 22 2HG GLU 22 -1.604 -15.384 -0.386 182 2HG GLU 22 1HG GLU 22 -3.298 -14.899 -0.483 183 H ARG 23 H ARG 23 -1.224 -12.283 -4.115 184 HA ARG 23 HA ARG 23 0.982 -13.582 -5.450 185 1HB ARG 23 2HB ARG 23 -0.879 -11.324 -6.066 186 2HB ARG 23 1HB ARG 23 0.610 -11.443 -7.003 187 1HG ARG 23 2HG ARG 23 -0.161 -14.024 -7.097 188 2HG ARG 23 1HG ARG 23 -1.746 -13.258 -6.955 189 1HD ARG 23 2HD ARG 23 -1.522 -13.127 -9.239 190 2HD ARG 23 1HD ARG 23 -0.669 -11.643 -8.816 191 HE ARG 23 HE ARG 23 1.456 -13.035 -8.956 192 1HH1 ARG 23 2HH1 ARG 23 0.215 -15.705 -9.323 193 2HH1 ARG 23 1HH1 ARG 23 0.257 -15.910 -11.042 194 1HH2 ARG 23 1HH2 ARG 23 0.789 -12.546 -11.696 195 2HH2 ARG 23 2HH2 ARG 23 0.582 -14.121 -12.386 196 H LEU 24 H LEU 24 0.772 -10.926 -3.272 197 HA LEU 24 HA LEU 24 3.131 -9.503 -4.175 198 1HB LEU 24 2HB LEU 24 1.115 -9.058 -2.287 199 2HB LEU 24 1HB LEU 24 2.583 -9.239 -1.327 200 HG LEU 24 HG LEU 24 2.479 -7.468 -3.772 201 1HD1 LEU 24 1HD1 LEU 24 2.184 -6.502 -0.926 202 2HD1 LEU 24 2HD1 LEU 24 0.780 -6.861 -1.930 203 3HD1 LEU 24 3HD1 LEU 24 1.915 -5.603 -2.419 204 1HD2 LEU 24 1HD2 LEU 24 4.308 -6.394 -2.118 205 2HD2 LEU 24 2HD2 LEU 24 4.712 -7.682 -3.253 206 3HD2 LEU 24 3HD2 LEU 24 4.389 -8.066 -1.562 207 H GLU 25 H GLU 25 2.574 -11.631 -1.342 208 HA GLU 25 HA GLU 25 5.363 -11.824 -0.680 209 1HB GLU 25 2HB GLU 25 2.875 -13.304 0.084 210 2HB GLU 25 1HB GLU 25 4.435 -14.032 0.470 211 1HG GLU 25 2HG GLU 25 4.876 -12.508 2.091 212 2HG GLU 25 1HG GLU 25 4.281 -11.166 1.113 213 H GLN 26 H GLN 26 3.188 -13.904 -2.586 214 HA GLN 26 HA GLN 26 4.972 -16.039 -3.077 215 1HB GLN 26 2HB GLN 26 2.504 -15.022 -4.232 216 2HB GLN 26 1HB GLN 26 3.575 -15.662 -5.479 217 1HG GLN 26 2HG GLN 26 2.253 -17.508 -4.704 218 2HG GLN 26 1HG GLN 26 3.863 -17.720 -4.016 219 1HE2 GLN 26 1HE2 GLN 26 1.079 -18.542 -2.984 220 2HE2 GLN 26 2HE2 GLN 26 1.025 -17.916 -1.407 221 H SER 27 H SER 27 5.054 -12.773 -4.211 222 HA SER 27 HA SER 27 6.617 -13.220 -6.596 223 1HB SER 27 2HB SER 27 6.343 -10.778 -4.822 224 2HB SER 27 1HB SER 27 7.158 -10.787 -6.384 225 HG SER 27 HG SER 27 5.024 -10.154 -6.664 226 H GLY 28 H GLY 28 7.625 -11.873 -3.427 227 1HA GLY 28 2HA GLY 28 9.604 -13.145 -2.398 228 2HA GLY 28 1HA GLY 28 10.347 -12.976 -3.989 229 H LEU 29 H LEU 29 12.094 -11.745 -3.059 230 HA LEU 29 HA LEU 29 13.165 -9.712 -2.584 231 1HB LEU 29 2HB LEU 29 11.046 -9.042 -4.234 232 2HB LEU 29 1HB LEU 29 10.792 -8.003 -2.830 233 HG LEU 29 HG LEU 29 13.567 -7.940 -3.345 234 1HD1 LEU 29 1HD1 LEU 29 13.057 -8.850 -5.594 235 2HD1 LEU 29 2HD1 LEU 29 13.650 -7.192 -5.687 236 3HD1 LEU 29 3HD1 LEU 29 11.927 -7.523 -5.864 237 1HD2 LEU 29 1HD2 LEU 29 12.905 -5.554 -4.120 238 2HD2 LEU 29 2HD2 LEU 29 12.484 -6.026 -2.474 239 3HD2 LEU 29 3HD2 LEU 29 11.253 -6.041 -3.738 240 H GLU 30 H GLU 30 13.244 -8.064 -0.854 241 HA GLU 30 HA GLU 30 11.432 -8.797 1.410 242 1HB GLU 30 2HB GLU 30 14.261 -7.703 1.465 243 2HB GLU 30 1HB GLU 30 13.277 -8.041 2.890 244 1HG GLU 30 2HG GLU 30 14.146 -10.126 2.824 245 2HG GLU 30 1HG GLU 30 13.112 -10.394 1.420 246 H TRP 31 H TRP 31 9.829 -7.226 1.092 247 HA TRP 31 HA TRP 31 10.761 -4.385 1.164 248 1HB TRP 31 2HB TRP 31 8.424 -3.885 0.301 249 2HB TRP 31 1HB TRP 31 9.461 -4.761 -0.825 250 HD1 TRP 31 HD1 TRP 31 9.048 -7.441 -1.022 251 HE1 TRP 31 HE1 TRP 31 6.889 -8.815 -0.712 252 HE3 TRP 31 HE3 TRP 31 6.215 -4.056 1.545 253 HZ2 TRP 31 HZ2 TRP 31 4.298 -8.515 0.473 254 HZ3 TRP 31 HZ3 TRP 31 3.908 -4.622 2.253 255 HH2 TRP 31 HH2 TRP 31 2.948 -6.847 1.720 256 H ARG 32 H ARG 32 9.117 -2.933 2.372 257 HA ARG 32 HA ARG 32 7.755 -4.373 4.581 258 1HB ARG 32 2HB ARG 32 10.088 -2.511 4.851 259 2HB ARG 32 1HB ARG 32 8.843 -2.502 6.100 260 1HG ARG 32 2HG ARG 32 9.654 -4.405 6.980 261 2HG ARG 32 1HG ARG 32 9.499 -5.224 5.426 262 1HD ARG 32 2HD ARG 32 11.864 -5.099 6.389 263 2HD ARG 32 1HD ARG 32 11.675 -4.529 4.731 264 HE ARG 32 HE ARG 32 12.506 -2.489 5.542 265 1HH1 ARG 32 1HH2 ARG 32 11.267 -4.297 8.155 266 2HH1 ARG 32 2HH2 ARG 32 11.089 -2.933 9.209 267 1HH2 ARG 32 2HH1 ARG 32 11.978 -0.611 6.793 268 2HH2 ARG 32 1HH1 ARG 32 11.492 -0.848 8.438 269 HA PRO 33 HA PRO 33 4.830 -1.129 4.186 270 1HB PRO 33 2HB PRO 33 3.865 -1.025 6.758 271 2HB PRO 33 1HB PRO 33 3.483 -2.331 5.623 272 1HG PRO 33 2HG PRO 33 5.324 -2.362 7.969 273 2HG PRO 33 1HG PRO 33 4.444 -3.703 7.215 274 1HD PRO 33 2HD PRO 33 7.192 -3.109 6.862 275 2HD PRO 33 1HD PRO 33 6.230 -4.235 5.880 276 H ALA 34 H ALA 34 5.384 1.013 3.971 277 HA ALA 34 HA ALA 34 6.941 2.292 6.175 278 1HB ALA 34 1HB ALA 34 6.540 3.301 3.345 279 2HB ALA 34 2HB ALA 34 7.903 2.298 3.840 280 3HB ALA 34 3HB ALA 34 7.692 3.904 4.538 281 H THR 35 H THR 35 6.404 4.872 6.023 282 HA THR 35 HA THR 35 3.511 5.014 6.647 283 HB THR 35 HB THR 35 4.699 7.529 7.083 284 HG1 THR 35 HG1 THR 35 6.560 7.012 8.192 285 1HG2 THR 35 1HG2 THR 35 4.410 5.329 9.132 286 2HG2 THR 35 2HG2 THR 35 3.020 6.170 8.450 287 3HG2 THR 35 3HG2 THR 35 4.228 7.066 9.372 288 HA PRO 36 HA PRO 36 2.458 7.432 3.140 289 1HB PRO 36 2HB PRO 36 0.864 9.396 4.219 290 2HB PRO 36 1HB PRO 36 0.355 7.708 4.042 291 1HG PRO 36 2HG PRO 36 1.161 9.175 6.510 292 2HG PRO 36 1HG PRO 36 0.095 7.771 6.337 293 1HD PRO 36 2HD PRO 36 2.794 7.712 7.198 294 2HD PRO 36 1HD PRO 36 1.818 6.307 6.714 295 H GLU 37 H GLU 37 4.393 8.795 5.557 296 HA GLU 37 HA GLU 37 4.827 11.284 3.958 297 1HB GLU 37 2HB GLU 37 4.274 11.121 6.613 298 2HB GLU 37 1HB GLU 37 6.036 11.054 6.655 299 1HG GLU 37 2HG GLU 37 5.166 13.064 4.768 300 2HG GLU 37 1HG GLU 37 4.434 13.354 6.347 301 H ASP 38 H ASP 38 6.084 8.253 4.389 302 HA ASP 38 HA ASP 38 8.662 9.057 3.255 303 1HB ASP 38 2HB ASP 38 8.498 8.843 6.035 304 2HB ASP 38 1HB ASP 38 9.170 7.294 5.524 305 H ALA 39 H ALA 39 6.874 7.621 1.909 306 HA ALA 39 HA ALA 39 7.694 4.764 2.254 307 1HB ALA 39 1HB ALA 39 5.526 4.227 1.979 308 2HB ALA 39 2HB ALA 39 5.489 5.075 0.435 309 3HB ALA 39 3HB ALA 39 5.130 5.944 1.927 310 H ASP 40 H ASP 40 9.174 4.127 0.768 311 HA ASP 40 HA ASP 40 10.126 5.629 -1.391 312 1HB ASP 40 2HB ASP 40 10.938 3.337 -0.355 313 2HB ASP 40 1HB ASP 40 9.975 2.643 -1.660 314 H ALA 41 H ALA 41 7.474 3.254 -1.372 315 HA ALA 41 HA ALA 41 6.436 4.524 -3.841 316 1HB ALA 41 1HB ALA 41 6.716 2.729 -5.191 317 2HB ALA 41 2HB ALA 41 6.197 1.605 -3.934 318 3HB ALA 41 3HB ALA 41 7.872 2.154 -3.990 319 H VAL 42 H VAL 42 4.148 4.099 -4.144 320 HA VAL 42 HA VAL 42 2.823 2.988 -1.701 321 HB VAL 42 HB VAL 42 1.733 5.214 -3.441 322 1HG1 VAL 42 1HG1 VAL 42 0.158 3.835 -2.036 323 2HG1 VAL 42 2HG1 VAL 42 0.191 5.544 -1.603 324 3HG1 VAL 42 3HG1 VAL 42 1.050 4.366 -0.611 325 1HG2 VAL 42 1HG2 VAL 42 2.404 6.654 -1.429 326 2HG2 VAL 42 2HG2 VAL 42 3.719 6.123 -2.475 327 3HG2 VAL 42 3HG2 VAL 42 3.432 5.307 -0.938 328 H ILE 43 H ILE 43 1.992 1.049 -2.345 329 HA ILE 43 HA ILE 43 0.957 0.757 -5.104 330 HB ILE 43 HB ILE 43 1.328 -1.237 -2.848 331 1HG1 ILE 43 2HG1 ILE 43 2.749 -1.087 -5.516 332 2HG1 ILE 43 1HG1 ILE 43 3.352 -0.246 -4.086 333 1HG2 ILE 43 1HG2 ILE 43 0.929 -2.876 -4.807 334 2HG2 ILE 43 2HG2 ILE 43 0.198 -1.502 -5.636 335 3HG2 ILE 43 3HG2 ILE 43 -0.484 -2.081 -4.117 336 1HD1 ILE 43 1HD1 ILE 43 3.448 -2.375 -2.857 337 2HD1 ILE 43 2HD1 ILE 43 4.409 -2.469 -4.333 338 3HD1 ILE 43 3HD1 ILE 43 2.817 -3.226 -4.268 339 H VAL 44 H VAL 44 -0.997 1.922 -5.053 340 HA VAL 44 HA VAL 44 -2.963 1.325 -2.935 341 HB VAL 44 HB VAL 44 -3.398 3.044 -5.383 342 1HG1 VAL 44 1HG1 VAL 44 -5.074 2.255 -3.328 343 2HG1 VAL 44 2HG1 VAL 44 -5.309 3.677 -4.343 344 3HG1 VAL 44 3HG1 VAL 44 -4.502 3.831 -2.782 345 1HG2 VAL 44 1HG2 VAL 44 -2.124 4.725 -4.530 346 2HG2 VAL 44 2HG2 VAL 44 -1.329 3.447 -3.609 347 3HG2 VAL 44 3HG2 VAL 44 -2.628 4.386 -2.874 348 H LEU 45 H LEU 45 -4.601 -0.133 -3.188 349 HA LEU 45 HA LEU 45 -4.765 -1.601 -5.742 350 1HB LEU 45 2HB LEU 45 -5.535 -2.085 -2.940 351 2HB LEU 45 1HB LEU 45 -6.709 -2.671 -4.118 352 HG LEU 45 HG LEU 45 -4.893 -4.334 -3.504 353 1HD1 LEU 45 1HD1 LEU 45 -5.819 -5.030 -5.473 354 2HD1 LEU 45 2HD1 LEU 45 -4.276 -4.508 -6.147 355 3HD1 LEU 45 3HD1 LEU 45 -5.676 -3.440 -6.219 356 1HD2 LEU 45 1HD2 LEU 45 -3.143 -2.398 -3.547 357 2HD2 LEU 45 2HD2 LEU 45 -3.114 -2.679 -5.287 358 3HD2 LEU 45 3HD2 LEU 45 -2.667 -3.974 -4.176 359 H ALA 46 H ALA 46 -6.113 -0.838 -7.293 360 HA ALA 46 HA ALA 46 -8.047 1.202 -6.921 361 1HB ALA 46 1HB ALA 46 -7.353 0.834 -9.150 362 2HB ALA 46 2HB ALA 46 -9.010 0.231 -9.126 363 3HB ALA 46 3HB ALA 46 -7.661 -0.901 -9.052 364 H GLY 47 H GLY 47 -8.220 -2.204 -6.289 365 1HA GLY 47 2HA GLY 47 -11.172 -2.190 -6.189 366 2HA GLY 47 1HA GLY 47 -10.133 -3.581 -5.874 367 H LEU 48 H LEU 48 -9.731 -0.397 -4.395 368 HA LEU 48 HA LEU 48 -10.476 -1.637 -1.776 369 1HB LEU 48 2HB LEU 48 -8.081 -0.140 -2.621 370 2HB LEU 48 1HB LEU 48 -8.791 0.423 -1.107 371 HG LEU 48 HG LEU 48 -7.140 -1.349 -0.675 372 1HD1 LEU 48 1HD1 LEU 48 -8.471 -2.606 0.812 373 2HD1 LEU 48 2HD1 LEU 48 -9.864 -2.577 -0.270 374 3HD1 LEU 48 3HD1 LEU 48 -9.391 -1.116 0.598 375 1HD2 LEU 48 1HD2 LEU 48 -8.284 -2.473 -3.016 376 2HD2 LEU 48 2HD2 LEU 48 -8.628 -3.595 -1.700 377 3HD2 LEU 48 3HD2 LEU 48 -6.963 -3.127 -2.048 378 H TRP 49 H TRP 49 -10.711 1.162 -3.887 379 HA TRP 49 HA TRP 49 -11.836 2.962 -1.953 380 1HB TRP 49 2HB TRP 49 -12.623 4.258 -3.870 381 2HB TRP 49 1HB TRP 49 -10.981 3.696 -4.171 382 HD1 TRP 49 HD1 TRP 49 -14.527 2.225 -4.795 383 HE1 TRP 49 HE1 TRP 49 -14.558 1.227 -7.170 384 HE3 TRP 49 HE3 TRP 49 -9.738 3.252 -6.248 385 HZ2 TRP 49 HZ2 TRP 49 -12.789 0.910 -9.396 386 HZ3 TRP 49 HZ3 TRP 49 -8.939 2.597 -8.501 387 HH2 TRP 49 HH2 TRP 49 -10.458 1.428 -10.074 388 H GLY 50 H GLY 50 -13.120 0.221 -3.621 389 1HA GLY 50 2HA GLY 50 -15.890 0.843 -3.628 390 2HA GLY 50 1HA GLY 50 -15.234 -0.791 -3.509 391 H THR 51 H THR 51 -13.737 0.260 -1.002 392 HA THR 51 HA THR 51 -16.057 -0.125 0.842 393 HB THR 51 HB THR 51 -14.645 -1.269 2.317 394 HG1 THR 51 HG1 THR 51 -12.279 -0.586 1.033 395 1HG2 THR 51 1HG2 THR 51 -13.629 -1.773 -0.488 396 2HG2 THR 51 2HG2 THR 51 -14.897 -2.652 0.365 397 3HG2 THR 51 3HG2 THR 51 -13.219 -2.794 0.890 398 H ARG 52 H ARG 52 -13.093 1.758 0.306 399 HA ARG 52 HA ARG 52 -14.272 3.906 1.991 400 1HB ARG 52 2HB ARG 52 -11.522 2.689 2.323 401 2HB ARG 52 1HB ARG 52 -11.941 4.280 2.957 402 1HG ARG 52 2HG ARG 52 -12.701 3.205 4.792 403 2HG ARG 52 1HG ARG 52 -14.049 2.664 3.790 404 1HD ARG 52 2HD ARG 52 -13.313 0.536 3.840 405 2HD ARG 52 1HD ARG 52 -11.710 1.031 3.297 406 HE ARG 52 HE ARG 52 -12.232 1.558 6.134 407 1HH1 ARG 52 2HH1 ARG 52 -12.496 -1.431 5.454 408 2HH1 ARG 52 1HH1 ARG 52 -10.884 -1.975 5.778 409 1HH2 ARG 52 1HH2 ARG 52 -9.529 1.215 5.814 410 2HH2 ARG 52 2HH2 ARG 52 -9.205 -0.477 5.983 411 H ARG 53 H ARG 53 -14.438 4.180 -0.637 412 HA ARG 53 HA ARG 53 -12.214 5.056 -2.126 413 1HB ARG 53 2HB ARG 53 -14.559 4.739 -3.000 414 2HB ARG 53 1HB ARG 53 -14.985 6.277 -2.248 415 1HG ARG 53 2HG ARG 53 -13.745 7.516 -3.748 416 2HG ARG 53 1HG ARG 53 -12.574 6.223 -4.009 417 1HD ARG 53 2HD ARG 53 -13.766 5.330 -5.720 418 2HD ARG 53 1HD ARG 53 -15.301 5.544 -4.877 419 HE ARG 53 HE ARG 53 -14.176 8.056 -5.841 420 1HH1 ARG 53 1HH2 ARG 53 -16.899 6.181 -5.783 421 2HH1 ARG 53 2HH2 ARG 53 -17.419 6.532 -7.397 422 1HH2 ARG 53 2HH1 ARG 53 -14.469 8.125 -8.284 423 2HH2 ARG 53 1HH1 ARG 53 -16.043 7.633 -8.813 424 H ASP 54 H ASP 54 -13.824 6.580 0.540 425 HA ASP 54 HA ASP 54 -12.913 9.279 -0.025 426 1HB ASP 54 2HB ASP 54 -14.742 8.216 1.706 427 2HB ASP 54 1HB ASP 54 -13.394 8.539 2.796 428 H GLU 55 H GLU 55 -11.728 6.609 2.015 429 HA GLU 55 HA GLU 55 -9.514 8.075 3.118 430 1HB GLU 55 2HB GLU 55 -10.619 5.587 3.548 431 2HB GLU 55 1HB GLU 55 -9.096 5.183 2.754 432 1HG GLU 55 2HG GLU 55 -8.617 5.291 5.098 433 2HG GLU 55 1HG GLU 55 -7.962 6.768 4.393 434 H ILE 56 H ILE 56 -9.741 5.804 0.361 435 HA ILE 56 HA ILE 56 -7.001 5.970 -0.405 436 HB ILE 56 HB ILE 56 -9.518 5.397 -1.985 437 1HG1 ILE 56 2HG1 ILE 56 -7.718 3.223 -1.910 438 2HG1 ILE 56 1HG1 ILE 56 -7.727 3.893 -0.279 439 1HG2 ILE 56 1HG2 ILE 56 -8.288 5.843 -3.835 440 2HG2 ILE 56 2HG2 ILE 56 -7.396 4.374 -3.436 441 3HG2 ILE 56 3HG2 ILE 56 -6.788 5.946 -2.913 442 1HD1 ILE 56 1HD1 ILE 56 -9.652 2.758 0.044 443 2HD1 ILE 56 2HD1 ILE 56 -9.815 2.411 -1.678 444 3HD1 ILE 56 3HD1 ILE 56 -10.409 3.938 -1.026 445 H LEU 57 H LEU 57 -9.792 8.009 -1.203 446 HA LEU 57 HA LEU 57 -8.553 9.588 -3.223 447 1HB LEU 57 2HB LEU 57 -11.034 9.543 -2.235 448 2HB LEU 57 1HB LEU 57 -10.416 10.896 -1.286 449 HG LEU 57 HG LEU 57 -10.096 10.735 -4.289 450 1HD1 LEU 57 1HD1 LEU 57 -12.175 11.587 -4.619 451 2HD1 LEU 57 2HD1 LEU 57 -12.072 12.625 -3.197 452 3HD1 LEU 57 3HD1 LEU 57 -12.529 10.932 -3.020 453 1HD2 LEU 57 1HD2 LEU 57 -9.791 12.895 -2.190 454 2HD2 LEU 57 2HD2 LEU 57 -9.890 13.256 -3.914 455 3HD2 LEU 57 3HD2 LEU 57 -8.561 12.277 -3.292 456 H GLY 58 H GLY 58 -8.873 10.274 0.283 457 1HA GLY 58 2HA GLY 58 -7.320 12.621 0.350 458 2HA GLY 58 1HA GLY 58 -7.453 11.496 1.702 459 H ALA 59 H ALA 59 -6.270 9.224 0.525 460 HA ALA 59 HA ALA 59 -3.517 9.668 1.005 461 1HB ALA 59 1HB ALA 59 -4.658 7.429 0.979 462 2HB ALA 59 2HB ALA 59 -3.152 7.459 0.062 463 3HB ALA 59 3HB ALA 59 -4.700 7.520 -0.782 464 H VAL 60 H VAL 60 -5.342 9.676 -2.048 465 HA VAL 60 HA VAL 60 -3.042 10.036 -3.740 466 HB VAL 60 HB VAL 60 -5.928 10.844 -4.212 467 1HG1 VAL 60 1HG1 VAL 60 -3.463 10.780 -5.908 468 2HG1 VAL 60 2HG1 VAL 60 -4.801 11.928 -5.921 469 3HG1 VAL 60 3HG1 VAL 60 -4.999 10.336 -6.653 470 1HG2 VAL 60 1HG2 VAL 60 -5.590 8.426 -3.689 471 2HG2 VAL 60 2HG2 VAL 60 -4.421 8.331 -5.006 472 3HG2 VAL 60 3HG2 VAL 60 -6.115 8.684 -5.352 473 H ASP 61 H ASP 61 -5.152 12.256 -1.985 474 HA ASP 61 HA ASP 61 -4.322 14.684 -3.218 475 1HB ASP 61 2HB ASP 61 -5.294 14.041 -0.427 476 2HB ASP 61 1HB ASP 61 -4.912 15.688 -0.929 477 H LEU 62 H LEU 62 -3.066 13.098 -0.259 478 HA LEU 62 HA LEU 62 -0.894 14.942 0.089 479 1HB LEU 62 2HB LEU 62 -1.682 13.462 1.901 480 2HB LEU 62 1HB LEU 62 -1.129 12.054 0.993 481 HG LEU 62 HG LEU 62 1.151 13.466 0.970 482 1HD1 LEU 62 1HD1 LEU 62 0.641 14.096 3.746 483 2HD1 LEU 62 2HD1 LEU 62 -0.496 14.957 2.710 484 3HD1 LEU 62 3HD1 LEU 62 1.239 15.150 2.464 485 1HD2 LEU 62 1HD2 LEU 62 1.593 11.463 1.931 486 2HD2 LEU 62 2HD2 LEU 62 -0.009 11.378 2.664 487 3HD2 LEU 62 3HD2 LEU 62 1.284 12.264 3.472 488 H ALA 63 H ALA 63 -1.289 12.027 -1.838 489 HA ALA 63 HA ALA 63 1.528 11.691 -2.427 490 1HB ALA 63 1HB ALA 63 0.825 10.050 -4.015 491 2HB ALA 63 2HB ALA 63 -0.780 10.768 -4.153 492 3HB ALA 63 3HB ALA 63 -0.313 9.930 -2.674 493 H ARG 64 H ARG 64 -0.957 13.791 -3.591 494 HA ARG 64 HA ARG 64 0.096 14.311 -6.215 495 1HB ARG 64 2HB ARG 64 -1.985 15.371 -4.498 496 2HB ARG 64 1HB ARG 64 -1.105 16.681 -5.284 497 1HG ARG 64 2HG ARG 64 -1.774 16.054 -7.393 498 2HG ARG 64 1HG ARG 64 -1.841 14.342 -6.975 499 1HD ARG 64 2HD ARG 64 -4.014 14.463 -6.329 500 2HD ARG 64 1HD ARG 64 -3.779 16.007 -5.511 501 HE ARG 64 HE ARG 64 -3.805 16.101 -8.461 502 1HH1 ARG 64 1HH2 ARG 64 -6.514 15.254 -7.500 503 2HH1 ARG 64 2HH2 ARG 64 -7.302 16.776 -7.250 504 1HH2 ARG 64 2HH1 ARG 64 -4.356 18.604 -7.259 505 2HH2 ARG 64 1HH1 ARG 64 -6.081 18.673 -7.113 506 H LYS 65 H LYS 65 1.338 14.986 -3.140 507 HA LYS 65 HA LYS 65 2.581 17.535 -3.644 508 1HB LYS 65 2HB LYS 65 2.273 16.483 -1.372 509 2HB LYS 65 1HB LYS 65 3.560 15.350 -1.786 510 1HG LYS 65 2HG LYS 65 5.168 16.890 -1.407 511 2HG LYS 65 1HG LYS 65 4.309 18.119 -2.336 512 1HD LYS 65 2HD LYS 65 3.128 18.890 -0.488 513 2HD LYS 65 1HD LYS 65 3.262 17.353 0.366 514 1HE LYS 65 2HE LYS 65 4.717 19.002 1.430 515 2HE LYS 65 1HE LYS 65 5.703 17.763 0.654 516 1HZ LYS 65 1HZ LYS 65 5.490 20.563 0.065 517 2HZ LYS 65 2HZ LYS 65 5.323 19.586 -1.314 518 3HZ LYS 65 3HZ LYS 65 6.712 19.461 -0.344 519 H SER 66 H SER 66 3.133 14.483 -4.974 520 HA SER 66 HA SER 66 4.795 13.737 -6.453 521 1HB SER 66 2HB SER 66 4.703 16.138 -7.247 522 2HB SER 66 1HB SER 66 6.017 16.490 -6.130 523 HG SER 66 HG SER 66 6.039 15.191 -8.543 524 H SER 67 H SER 67 5.061 13.076 -3.769 525 HA SER 67 HA SER 67 7.985 13.427 -3.252 526 1HB SER 67 2HB SER 67 5.753 13.729 -1.545 527 2HB SER 67 1HB SER 67 6.542 12.234 -1.049 528 HG SER 67 HG SER 67 7.348 14.273 -0.112 529 H LYS 68 H LYS 68 5.347 11.076 -3.455 530 HA LYS 68 HA LYS 68 7.422 8.937 -3.702 531 1HB LYS 68 2HB LYS 68 5.751 7.383 -2.653 532 2HB LYS 68 1HB LYS 68 6.321 8.639 -1.555 533 1HG LYS 68 2HG LYS 68 4.138 9.813 -2.823 534 2HG LYS 68 1HG LYS 68 3.625 8.147 -2.559 535 1HD LYS 68 2HD LYS 68 3.017 9.238 -0.555 536 2HD LYS 68 1HD LYS 68 4.549 8.458 -0.158 537 1HE LYS 68 2HE LYS 68 5.459 10.455 0.328 538 2HE LYS 68 1HE LYS 68 5.109 11.025 -1.303 539 1HZ LYS 68 1HZ LYS 68 2.984 10.928 0.738 540 2HZ LYS 68 2HZ LYS 68 3.083 11.890 -0.659 541 3HZ LYS 68 3HZ LYS 68 4.060 12.238 0.686 542 HA PRO 69 HA PRO 69 5.402 7.972 -7.475 543 1HB PRO 69 2HB PRO 69 6.071 5.312 -7.671 544 2HB PRO 69 1HB PRO 69 7.214 6.634 -7.960 545 1HG PRO 69 2HG PRO 69 7.005 4.813 -5.605 546 2HG PRO 69 1HG PRO 69 8.420 5.669 -6.241 547 1HD PRO 69 2HD PRO 69 6.893 6.446 -3.990 548 2HD PRO 69 1HD PRO 69 8.079 7.456 -4.844 549 H ILE 70 H ILE 70 3.221 7.687 -7.756 550 HA ILE 70 HA ILE 70 1.752 5.896 -5.915 551 HB ILE 70 HB ILE 70 0.752 7.793 -8.063 552 1HG1 ILE 70 2HG1 ILE 70 0.837 8.053 -5.038 553 2HG1 ILE 70 1HG1 ILE 70 1.886 8.916 -6.165 554 1HG2 ILE 70 1HG2 ILE 70 -0.628 6.060 -6.008 555 2HG2 ILE 70 2HG2 ILE 70 -0.943 6.165 -7.741 556 3HG2 ILE 70 3HG2 ILE 70 -1.406 7.494 -6.678 557 1HD1 ILE 70 1HD1 ILE 70 0.231 10.506 -5.890 558 2HD1 ILE 70 2HD1 ILE 70 -1.026 9.302 -5.609 559 3HD1 ILE 70 3HD1 ILE 70 -0.449 9.608 -7.247 560 H ILE 71 H ILE 71 1.125 3.883 -6.526 561 HA ILE 71 HA ILE 71 1.116 3.255 -9.452 562 HB ILE 71 HB ILE 71 1.995 1.486 -7.148 563 1HG1 ILE 71 2HG1 ILE 71 4.034 1.602 -8.989 564 2HG1 ILE 71 1HG1 ILE 71 3.376 3.237 -9.079 565 1HG2 ILE 71 1HG2 ILE 71 0.747 0.634 -9.417 566 2HG2 ILE 71 2HG2 ILE 71 1.963 -0.308 -8.556 567 3HG2 ILE 71 3HG2 ILE 71 2.425 0.657 -9.957 568 1HD1 ILE 71 1HD1 ILE 71 3.673 2.169 -6.340 569 2HD1 ILE 71 2HD1 ILE 71 4.063 3.768 -6.974 570 3HD1 ILE 71 3HD1 ILE 71 5.189 2.430 -7.204 571 H THR 72 H THR 72 -0.977 2.926 -10.029 572 HA THR 72 HA THR 72 -2.880 1.865 -8.014 573 HB THR 72 HB THR 72 -4.574 2.406 -9.842 574 HG1 THR 72 HG1 THR 72 -3.187 2.412 -11.595 575 1HG2 THR 72 1HG2 THR 72 -2.828 4.719 -8.963 576 2HG2 THR 72 2HG2 THR 72 -3.994 3.914 -7.913 577 3HG2 THR 72 3HG2 THR 72 -4.546 4.773 -9.351 578 H VAL 73 H VAL 73 -3.294 -0.285 -8.001 579 HA VAL 73 HA VAL 73 -2.586 -1.879 -10.411 580 HB VAL 73 HB VAL 73 -3.259 -2.742 -7.580 581 1HG1 VAL 73 1HG1 VAL 73 -2.917 -4.195 -10.128 582 2HG1 VAL 73 2HG1 VAL 73 -3.718 -4.703 -8.641 583 3HG1 VAL 73 3HG1 VAL 73 -1.965 -4.831 -8.787 584 1HG2 VAL 73 1HG2 VAL 73 -1.049 -2.564 -7.119 585 2HG2 VAL 73 2HG2 VAL 73 -0.927 -1.595 -8.587 586 3HG2 VAL 73 3HG2 VAL 73 -0.597 -3.326 -8.644 587 H ARG 74 H ARG 74 -4.216 -2.444 -11.765 588 HA ARG 74 HA ARG 74 -6.893 -1.798 -11.561 589 1HB ARG 74 2HB ARG 74 -5.545 -4.160 -12.868 590 2HB ARG 74 1HB ARG 74 -7.292 -3.933 -12.975 591 1HG ARG 74 2HG ARG 74 -5.602 -1.559 -13.577 592 2HG ARG 74 1HG ARG 74 -5.590 -2.863 -14.766 593 1HD ARG 74 2HD ARG 74 -8.202 -2.781 -14.453 594 2HD ARG 74 1HD ARG 74 -7.884 -1.154 -13.853 595 HE ARG 74 HE ARG 74 -6.535 -1.045 -16.171 596 1HH1 ARG 74 1HH2 ARG 74 -9.699 -0.720 -15.509 597 2HH1 ARG 74 2HH2 ARG 74 -10.310 -1.258 -17.039 598 1HH2 ARG 74 2HH1 ARG 74 -7.258 -2.502 -18.118 599 2HH2 ARG 74 1HH1 ARG 74 -8.927 -2.266 -18.517 600 HA PRO 75 HA PRO 75 -8.570 -4.316 -8.379 601 1HB PRO 75 2HB PRO 75 -11.203 -4.262 -9.170 602 2HB PRO 75 1HB PRO 75 -10.383 -2.892 -8.402 603 1HG PRO 75 2HG PRO 75 -11.151 -3.255 -11.258 604 2HG PRO 75 1HG PRO 75 -10.919 -1.758 -10.341 605 1HD PRO 75 2HD PRO 75 -9.073 -2.889 -12.169 606 2HD PRO 75 1HD PRO 75 -8.736 -1.580 -11.016 607 H TYR 76 H TYR 76 -9.381 -6.466 -8.018 608 HA TYR 76 HA TYR 76 -8.705 -8.471 -9.844 609 1HB TYR 76 2HB TYR 76 -9.141 -9.142 -7.606 610 2HB TYR 76 1HB TYR 76 -10.747 -8.414 -7.616 611 HD1 TYR 76 HD1 TYR 76 -8.704 -11.258 -8.803 612 HD2 TYR 76 HD2 TYR 76 -12.637 -9.533 -8.649 613 HE1 TYR 76 HE1 TYR 76 -9.678 -13.409 -9.569 614 HE2 TYR 76 HE2 TYR 76 -13.610 -11.683 -9.413 615 HH TYR 76 HH TYR 76 -11.654 -14.586 -9.705 616 H GLY 77 H GLY 77 -11.951 -7.051 -9.330 617 1HA GLY 77 2HA GLY 77 -12.834 -6.700 -11.869 618 2HA GLY 77 1HA GLY 77 -12.970 -8.452 -11.710 619 H LEU 78 H LEU 78 -14.579 -5.539 -11.198 620 HA LEU 78 HA LEU 78 -16.877 -6.882 -10.048 621 1HB LEU 78 2HB LEU 78 -15.073 -6.233 -8.140 622 2HB LEU 78 1HB LEU 78 -15.955 -4.708 -8.243 623 HG LEU 78 HG LEU 78 -18.095 -6.075 -8.055 624 1HD1 LEU 78 1HD1 LEU 78 -17.495 -8.305 -6.747 625 2HD1 LEU 78 2HD1 LEU 78 -16.003 -8.186 -7.680 626 3HD1 LEU 78 3HD1 LEU 78 -17.557 -8.286 -8.510 627 1HD2 LEU 78 1HD2 LEU 78 -17.802 -6.396 -5.576 628 2HD2 LEU 78 2HD2 LEU 78 -17.271 -4.816 -6.149 629 3HD2 LEU 78 3HD2 LEU 78 -16.082 -6.067 -5.785 630 H GLU 79 H GLU 79 -15.276 -3.717 -10.466 631 HA GLU 79 HA GLU 79 -17.827 -2.727 -11.660 632 1HB GLU 79 2HB GLU 79 -15.928 -1.000 -10.061 633 2HB GLU 79 1HB GLU 79 -17.574 -0.623 -10.569 634 1HG GLU 79 2HG GLU 79 -17.768 -3.024 -9.108 635 2HG GLU 79 1HG GLU 79 -16.681 -1.991 -8.180 636 H ASN 80 H ASN 80 -16.307 -0.119 -12.046 637 HA ASN 80 HA ASN 80 -14.419 -1.015 -14.175 638 1HB ASN 80 2HB ASN 80 -16.962 0.310 -14.527 639 2HB ASN 80 1HB ASN 80 -15.657 1.356 -15.089 640 1HD2 ASN 80 1HD2 ASN 80 -17.389 -1.627 -15.732 641 2HD2 ASN 80 2HD2 ASN 80 -16.573 -2.016 -17.168 642 H VAL 81 H VAL 81 -12.474 -0.151 -13.651 643 HA VAL 81 HA VAL 81 -11.958 1.817 -11.739 644 HB VAL 81 HB VAL 81 -10.410 1.150 -14.258 645 1HG1 VAL 81 1HG1 VAL 81 -9.597 2.766 -11.822 646 2HG1 VAL 81 2HG1 VAL 81 -9.758 3.371 -13.472 647 3HG1 VAL 81 3HG1 VAL 81 -8.488 2.213 -13.077 648 1HG2 VAL 81 1HG2 VAL 81 -9.102 0.307 -11.901 649 2HG2 VAL 81 2HG2 VAL 81 -9.900 -0.714 -13.096 650 3HG2 VAL 81 3HG2 VAL 81 -10.796 -0.135 -11.693 651 HA PRO 82 HA PRO 82 -13.474 5.451 -13.781 652 1HB PRO 82 2HB PRO 82 -12.588 7.243 -11.895 653 2HB PRO 82 1HB PRO 82 -14.030 6.235 -11.687 654 1HG PRO 82 2HG PRO 82 -11.342 5.950 -10.427 655 2HG PRO 82 1HG PRO 82 -12.923 5.420 -9.829 656 1HD PRO 82 2HD PRO 82 -10.968 3.767 -11.035 657 2HD PRO 82 1HD PRO 82 -12.664 3.331 -10.736 658 HA PRO 83 HA PRO 83 -9.873 6.946 -15.872 659 1HB PRO 83 2HB PRO 83 -11.051 9.103 -17.107 660 2HB PRO 83 1HB PRO 83 -11.273 7.427 -17.639 661 1HG PRO 83 2HG PRO 83 -13.171 9.198 -16.170 662 2HG PRO 83 1HG PRO 83 -13.514 7.836 -17.248 663 1HD PRO 83 2HD PRO 83 -13.603 7.769 -14.424 664 2HD PRO 83 1HD PRO 83 -13.599 6.356 -15.500 665 H GLU 84 H GLU 84 -11.368 8.529 -13.300 666 HA GLU 84 HA GLU 84 -9.790 11.006 -13.467 667 1HB GLU 84 2HB GLU 84 -12.125 10.157 -12.074 668 2HB GLU 84 1HB GLU 84 -10.920 10.595 -10.863 669 1HG GLU 84 2HG GLU 84 -11.548 12.359 -13.239 670 2HG GLU 84 1HG GLU 84 -12.395 12.505 -11.697 671 H LEU 85 H LEU 85 -9.842 8.042 -11.489 672 HA LEU 85 HA LEU 85 -7.621 8.809 -9.825 673 1HB LEU 85 2HB LEU 85 -9.357 6.908 -9.474 674 2HB LEU 85 1HB LEU 85 -8.295 5.952 -10.507 675 HG LEU 85 HG LEU 85 -6.634 7.278 -8.624 676 1HD1 LEU 85 1HD1 LEU 85 -9.169 7.077 -7.530 677 2HD1 LEU 85 2HD1 LEU 85 -7.668 7.184 -6.611 678 3HD1 LEU 85 3HD1 LEU 85 -8.378 5.608 -6.957 679 1HD2 LEU 85 1HD2 LEU 85 -5.933 5.065 -8.121 680 2HD2 LEU 85 2HD2 LEU 85 -6.480 4.982 -9.796 681 3HD2 LEU 85 3HD2 LEU 85 -7.518 4.391 -8.498 682 H GLU 86 H GLU 86 -7.879 7.271 -12.979 683 HA GLU 86 HA GLU 86 -5.045 6.532 -13.046 684 1HB GLU 86 2HB GLU 86 -7.307 5.737 -14.449 685 2HB GLU 86 1HB GLU 86 -6.410 6.691 -15.630 686 1HG GLU 86 2HG GLU 86 -4.379 5.357 -15.154 687 2HG GLU 86 1HG GLU 86 -5.297 4.386 -14.003 688 H ALA 87 H ALA 87 -6.594 9.446 -13.217 689 HA ALA 87 HA ALA 87 -5.162 10.629 -15.461 690 1HB ALA 87 1HB ALA 87 -6.333 12.208 -13.181 691 2HB ALA 87 2HB ALA 87 -7.391 11.408 -14.344 692 3HB ALA 87 3HB ALA 87 -6.246 12.634 -14.890 693 H VAL 88 H VAL 88 -4.804 10.717 -11.909 694 HA VAL 88 HA VAL 88 -2.216 12.130 -12.239 695 HB VAL 88 HB VAL 88 -2.282 12.311 -9.761 696 1HG1 VAL 88 1HG1 VAL 88 -4.204 13.835 -9.652 697 2HG1 VAL 88 2HG1 VAL 88 -4.873 13.117 -11.118 698 3HG1 VAL 88 3HG1 VAL 88 -3.364 14.028 -11.192 699 1HG2 VAL 88 1HG2 VAL 88 -3.803 11.190 -8.467 700 2HG2 VAL 88 2HG2 VAL 88 -3.857 10.094 -9.848 701 3HG2 VAL 88 3HG2 VAL 88 -5.085 11.346 -9.668 702 H SER 89 H SER 89 -3.239 8.992 -12.294 703 HA SER 89 HA SER 89 -1.272 7.755 -10.557 704 1HB SER 89 2HB SER 89 -2.954 6.710 -12.846 705 2HB SER 89 1HB SER 89 -1.837 5.690 -11.942 706 HG SER 89 HG SER 89 -3.969 5.648 -11.085 707 H SER 90 H SER 90 0.865 7.416 -10.995 708 HA SER 90 HA SER 90 1.891 8.255 -13.633 709 1HB SER 90 2HB SER 90 3.172 7.565 -10.993 710 2HB SER 90 1HB SER 90 4.136 7.721 -12.459 711 HG SER 90 HG SER 90 2.381 9.668 -11.357 712 H GLU 91 H GLU 91 1.122 5.327 -11.968 713 HA GLU 91 HA GLU 91 2.059 3.789 -14.303 714 1HB GLU 91 2HB GLU 91 3.348 3.694 -11.628 715 2HB GLU 91 1HB GLU 91 3.035 2.138 -12.399 716 1HG GLU 91 2HG GLU 91 4.812 2.446 -13.740 717 2HG GLU 91 1HG GLU 91 4.062 3.902 -14.394 718 H VAL 92 H VAL 92 0.860 1.909 -14.598 719 HA VAL 92 HA VAL 92 -1.191 1.312 -12.501 720 HB VAL 92 HB VAL 92 -1.567 1.008 -15.493 721 1HG1 VAL 92 1HG1 VAL 92 -2.990 0.063 -13.223 722 2HG1 VAL 92 2HG1 VAL 92 -3.476 -0.032 -14.916 723 3HG1 VAL 92 3HG1 VAL 92 -3.959 1.353 -13.937 724 1HG2 VAL 92 1HG2 VAL 92 -3.242 3.034 -14.686 725 2HG2 VAL 92 2HG2 VAL 92 -1.688 3.281 -15.482 726 3HG2 VAL 92 3HG2 VAL 92 -1.800 3.355 -13.723 727 H VAL 93 H VAL 93 -0.720 -0.660 -11.650 728 HA VAL 93 HA VAL 93 0.821 -2.607 -13.242 729 HB VAL 93 HB VAL 93 -0.180 -2.671 -10.384 730 1HG1 VAL 93 1HG1 VAL 93 0.028 -4.932 -10.833 731 2HG1 VAL 93 2HG1 VAL 93 1.700 -4.556 -10.415 732 3HG1 VAL 93 3HG1 VAL 93 1.219 -4.675 -12.108 733 1HG2 VAL 93 1HG2 VAL 93 2.003 -2.055 -9.759 734 2HG2 VAL 93 2HG2 VAL 93 1.715 -1.061 -11.187 735 3HG2 VAL 93 3HG2 VAL 93 2.682 -2.531 -11.315 736 H GLY 94 H GLY 94 0.049 -4.719 -13.732 737 1HA GLY 94 2HA GLY 94 -2.925 -4.900 -13.829 738 2HA GLY 94 1HA GLY 94 -1.823 -5.776 -14.892 739 H TRP 95 H TRP 95 -2.576 -7.856 -14.356 740 HA TRP 95 HA TRP 95 -2.176 -8.663 -11.504 741 1HB TRP 95 2HB TRP 95 -4.017 -9.762 -13.642 742 2HB TRP 95 1HB TRP 95 -3.708 -10.593 -12.117 743 HD1 TRP 95 HD1 TRP 95 -6.086 -8.308 -13.576 744 HE1 TRP 95 HE1 TRP 95 -7.355 -6.963 -11.778 745 HE3 TRP 95 HE3 TRP 95 -3.108 -9.221 -9.529 746 HZ2 TRP 95 HZ2 TRP 95 -7.133 -6.354 -8.990 747 HZ3 TRP 95 HZ3 TRP 95 -3.658 -8.248 -7.316 748 HH2 TRP 95 HH2 TRP 95 -5.665 -6.817 -7.042 749 H ASN 96 H ASN 96 0.154 -8.621 -12.732 750 HA ASN 96 HA ASN 96 0.653 -11.473 -13.470 751 1HB ASN 96 2HB ASN 96 1.238 -9.034 -15.000 752 2HB ASN 96 1HB ASN 96 2.645 -10.075 -14.780 753 1HD2 ASN 96 1HD2 ASN 96 2.835 -11.468 -16.536 754 2HD2 ASN 96 2HD2 ASN 96 1.539 -12.227 -17.326 755 HA PRO 97 HA PRO 97 3.950 -11.306 -10.581 756 1HB PRO 97 2HB PRO 97 5.860 -12.843 -11.824 757 2HB PRO 97 1HB PRO 97 4.392 -13.510 -11.091 758 1HG PRO 97 2HG PRO 97 5.046 -13.136 -13.976 759 2HG PRO 97 1HG PRO 97 3.950 -14.303 -13.216 760 1HD PRO 97 2HD PRO 97 3.179 -11.921 -14.542 761 2HD PRO 97 1HD PRO 97 2.142 -12.926 -13.507 762 H HIS 98 H HIS 98 5.471 -11.091 -13.830 763 HA HIS 98 HA HIS 98 7.635 -9.429 -12.901 764 1HB HIS 98 2HB HIS 98 7.207 -10.880 -15.158 765 2HB HIS 98 1HB HIS 98 6.867 -9.257 -15.759 766 HD1 HIS 98 HD1 HIS 98 9.113 -9.306 -17.138 767 HD2 HIS 98 HD2 HIS 98 9.617 -9.560 -13.007 768 HE1 HIS 98 HE1 HIS 98 11.566 -8.866 -16.686 769 H CYS 99 H CYS 99 4.371 -8.740 -13.490 770 HA CYS 99 HA CYS 99 4.701 -6.026 -14.485 771 1HB CYS 99 2HB CYS 99 2.539 -7.819 -14.040 772 2HB CYS 99 1HB CYS 99 2.212 -6.369 -13.091 773 HG CYS 99 HG CYS 99 3.037 -5.935 -16.049 774 H ILE 100 H ILE 100 3.467 -7.218 -11.333 775 HA ILE 100 HA ILE 100 3.574 -4.781 -9.953 776 HB ILE 100 HB ILE 100 4.281 -7.494 -8.796 777 1HG1 ILE 100 2HG1 ILE 100 1.532 -6.416 -8.561 778 2HG1 ILE 100 1HG1 ILE 100 2.000 -6.922 -10.184 779 1HG2 ILE 100 1HG2 ILE 100 3.036 -6.341 -6.807 780 2HG2 ILE 100 2HG2 ILE 100 3.418 -4.844 -7.659 781 3HG2 ILE 100 3HG2 ILE 100 4.717 -5.910 -7.122 782 1HD1 ILE 100 1HD1 ILE 100 2.234 -8.623 -7.684 783 2HD1 ILE 100 2HD1 ILE 100 2.678 -9.124 -9.316 784 3HD1 ILE 100 3HD1 ILE 100 0.991 -8.795 -8.923 785 H ARG 101 H ARG 101 6.188 -6.803 -11.014 786 HA ARG 101 HA ARG 101 8.178 -5.733 -9.189 787 1HB ARG 101 2HB ARG 101 8.140 -7.903 -10.792 788 2HB ARG 101 1HB ARG 101 9.014 -6.789 -11.843 789 1HG ARG 101 2HG ARG 101 9.761 -7.247 -8.946 790 2HG ARG 101 1HG ARG 101 10.473 -8.159 -10.277 791 1HD ARG 101 2HD ARG 101 10.750 -5.604 -11.200 792 2HD ARG 101 1HD ARG 101 10.926 -5.354 -9.463 793 HE ARG 101 HE ARG 101 12.923 -6.674 -9.508 794 1HH1 ARG 101 2HH1 ARG 101 12.086 -5.503 -12.508 795 2HH1 ARG 101 1HH1 ARG 101 13.022 -6.636 -13.423 796 1HH2 ARG 101 1HH2 ARG 101 13.785 -8.621 -10.684 797 2HH2 ARG 101 2HH2 ARG 101 13.984 -8.402 -12.390 798 H ASP 102 H ASP 102 7.314 -5.088 -12.595 799 HA ASP 102 HA ASP 102 9.280 -3.050 -13.009 800 1HB ASP 102 2HB ASP 102 6.562 -3.411 -14.310 801 2HB ASP 102 1HB ASP 102 7.842 -2.358 -14.910 802 H ALA 103 H ALA 103 6.478 -3.085 -11.077 803 HA ALA 103 HA ALA 103 5.730 -0.305 -11.297 804 1HB ALA 103 1HB ALA 103 4.182 -1.933 -10.336 805 2HB ALA 103 2HB ALA 103 4.566 -0.712 -9.123 806 3HB ALA 103 3HB ALA 103 5.328 -2.301 -9.048 807 H LEU 104 H LEU 104 7.458 -2.008 -8.652 808 HA LEU 104 HA LEU 104 8.386 0.451 -7.468 809 1HB LEU 104 2HB LEU 104 9.987 -1.106 -6.246 810 2HB LEU 104 1HB LEU 104 8.276 -1.492 -6.063 811 HG LEU 104 HG LEU 104 9.330 -2.783 -8.422 812 1HD1 LEU 104 1HD1 LEU 104 11.202 -2.588 -6.293 813 2HD1 LEU 104 2HD1 LEU 104 11.318 -3.586 -7.742 814 3HD1 LEU 104 3HD1 LEU 104 10.578 -4.237 -6.280 815 1HD2 LEU 104 1HD2 LEU 104 7.472 -3.227 -6.374 816 2HD2 LEU 104 2HD2 LEU 104 8.676 -4.499 -6.160 817 3HD2 LEU 104 3HD2 LEU 104 7.841 -4.325 -7.704 818 H GLU 105 H GLU 105 9.561 -1.599 -10.033 819 HA GLU 105 HA GLU 105 12.298 -0.951 -10.087 820 1HB GLU 105 2HB GLU 105 10.605 -2.314 -11.757 821 2HB GLU 105 1HB GLU 105 10.969 -0.885 -12.724 822 1HG GLU 105 2HG GLU 105 13.199 -2.348 -11.339 823 2HG GLU 105 1HG GLU 105 12.562 -2.966 -12.864 824 H ASP 106 H ASP 106 9.567 0.862 -11.517 825 HA ASP 106 HA ASP 106 11.256 3.029 -12.440 826 1HB ASP 106 2HB ASP 106 8.576 2.264 -12.776 827 2HB ASP 106 1HB ASP 106 8.504 3.811 -11.933 828 H ALA 107 H ALA 107 9.774 2.204 -9.415 829 HA ALA 107 HA ALA 107 9.769 4.876 -8.290 830 1HB ALA 107 1HB ALA 107 8.724 3.852 -6.571 831 2HB ALA 107 2HB ALA 107 10.075 2.746 -6.330 832 3HB ALA 107 3HB ALA 107 8.820 2.361 -7.508 833 H LEU 108 H LEU 108 12.202 2.488 -8.843 834 HA LEU 108 HA LEU 108 14.019 3.559 -6.789 835 1HB LEU 108 2HB LEU 108 13.816 1.122 -8.109 836 2HB LEU 108 1HB LEU 108 15.225 1.875 -8.859 837 HG LEU 108 HG LEU 108 15.853 0.557 -6.855 838 1HD1 LEU 108 1HD1 LEU 108 16.772 2.997 -7.571 839 2HD1 LEU 108 2HD1 LEU 108 17.426 2.095 -6.203 840 3HD1 LEU 108 3HD1 LEU 108 16.226 3.360 -5.934 841 1HD2 LEU 108 1HD2 LEU 108 14.740 0.726 -4.885 842 2HD2 LEU 108 2HD2 LEU 108 13.494 1.564 -5.810 843 3HD2 LEU 108 3HD2 LEU 108 14.726 2.489 -4.952 844 H ASP 109 H ASP 109 13.302 4.060 -10.151 845 HA ASP 109 HA ASP 109 15.689 5.857 -10.348 846 1HB ASP 109 2HB ASP 109 15.734 5.443 -12.722 847 2HB ASP 109 1HB ASP 109 15.639 3.873 -11.924 848 H VAL 110 H VAL 110 15.311 7.974 -11.015 849 HA VAL 110 HA VAL 110 12.438 8.706 -11.419 850 HB VAL 110 HB VAL 110 14.590 10.558 -10.380 851 1HG1 VAL 110 1HG1 VAL 110 11.954 11.045 -9.388 852 2HG1 VAL 110 2HG1 VAL 110 11.847 10.828 -11.135 853 3HG1 VAL 110 3HG1 VAL 110 12.917 12.059 -10.463 854 1HG2 VAL 110 1HG2 VAL 110 12.906 9.815 -8.257 855 2HG2 VAL 110 2HG2 VAL 110 14.600 9.373 -8.460 856 3HG2 VAL 110 3HG2 VAL 110 13.332 8.300 -9.053 857 H ILE 111 HN ILE 111 15.571 8.679 -12.788 858 HA ILE 111 HA ILE 111 14.550 10.196 -15.119 859 HB ILE 111 HB ILE 111 16.664 11.531 -15.221 860 1HG1 ILE 111 2HG1 ILE 111 17.326 11.297 -12.415 861 2HG1 ILE 111 1HG1 ILE 111 17.446 9.720 -13.196 862 1HG2 ILE 111 1HG2 ILE 111 15.176 11.931 -12.612 863 2HG2 ILE 111 2HG2 ILE 111 14.516 12.378 -14.184 864 3HG2 ILE 111 3HG2 ILE 111 15.977 13.164 -13.586 865 1HD1 ILE 111 1HD1 ILE 111 18.597 12.072 -14.633 866 2HD1 ILE 111 2HD1 ILE 111 19.141 10.395 -14.611 867 3HD1 ILE 111 3HD1 ILE 111 19.480 11.449 -13.239 Start of MODEL 3 1 1H VAL 1 1H VAL 1 18.822 -0.972 -4.427 2 2H VAL 1 2H VAL 1 19.749 -1.640 -3.170 3 3H VAL 1 3H VAL 1 19.308 0.000 -3.125 4 HA VAL 1 HA VAL 1 18.000 -1.578 -1.653 5 HB VAL 1 HB VAL 1 16.610 0.196 -3.686 6 1HG1 VAL 1 1HG1 VAL 1 15.210 0.254 -1.279 7 2HG1 VAL 1 2HG1 VAL 1 15.612 -1.451 -1.487 8 3HG1 VAL 1 3HG1 VAL 1 14.715 -0.598 -2.743 9 1HG2 VAL 1 1HG2 VAL 1 18.291 1.422 -2.448 10 2HG2 VAL 1 2HG2 VAL 1 17.773 0.692 -0.928 11 3HG2 VAL 1 3HG2 VAL 1 16.719 1.833 -1.764 12 H THR 2 H THR 2 18.813 -3.428 -3.627 13 HA THR 2 HA THR 2 16.447 -4.329 -5.099 14 HB THR 2 HB THR 2 18.866 -6.049 -4.626 15 HG1 THR 2 HG1 THR 2 18.695 -3.852 -6.411 16 1HG2 THR 2 1HG2 THR 2 18.168 -5.991 -7.315 17 2HG2 THR 2 2HG2 THR 2 16.619 -5.871 -6.482 18 3HG2 THR 2 3HG2 THR 2 17.694 -7.229 -6.151 19 H ALA 3 H ALA 3 17.357 -4.498 -1.895 20 HA ALA 3 HA ALA 3 15.619 -6.889 -1.492 21 1HB ALA 3 1HB ALA 3 17.271 -8.051 -0.495 22 2HB ALA 3 2HB ALA 3 17.613 -6.701 0.587 23 3HB ALA 3 3HB ALA 3 18.401 -6.791 -0.988 24 H GLU 4 H GLU 4 13.999 -6.443 -0.072 25 HA GLU 4 HA GLU 4 12.872 -5.452 1.750 26 1HB GLU 4 2HB GLU 4 15.497 -5.332 2.542 27 2HB GLU 4 1HB GLU 4 15.060 -3.624 2.509 28 1HG GLU 4 2HG GLU 4 14.057 -3.918 4.504 29 2HG GLU 4 1HG GLU 4 12.863 -4.927 3.687 30 H ILE 5 H ILE 5 11.359 -3.978 1.171 31 HA ILE 5 HA ILE 5 12.256 -1.296 0.262 32 HB ILE 5 HB ILE 5 10.306 -1.511 -1.486 33 1HG1 ILE 5 2HG1 ILE 5 11.128 -4.405 -1.072 34 2HG1 ILE 5 1HG1 ILE 5 9.550 -3.725 -0.674 35 1HG2 ILE 5 1HG2 ILE 5 12.088 -1.378 -2.854 36 2HG2 ILE 5 2HG2 ILE 5 12.368 -3.108 -2.661 37 3HG2 ILE 5 3HG2 ILE 5 13.127 -1.963 -1.555 38 1HD1 ILE 5 1HD1 ILE 5 8.911 -3.552 -2.881 39 2HD1 ILE 5 2HD1 ILE 5 10.010 -4.924 -3.022 40 3HD1 ILE 5 3HD1 ILE 5 10.561 -3.305 -3.448 41 H ARG 6 H ARG 6 10.692 0.349 0.682 42 HA ARG 6 HA ARG 6 8.565 -0.505 2.591 43 1HB ARG 6 2HB ARG 6 9.399 2.351 2.134 44 2HB ARG 6 1HB ARG 6 8.726 1.613 3.588 45 1HG ARG 6 2HG ARG 6 10.912 0.174 3.556 46 2HG ARG 6 1HG ARG 6 11.532 1.457 2.517 47 1HD ARG 6 2HD ARG 6 12.004 2.610 4.398 48 2HD ARG 6 1HD ARG 6 10.264 2.811 4.609 49 HE ARG 6 HE ARG 6 10.289 0.834 6.080 50 1HH1 ARG 6 1HH2 ARG 6 13.021 -0.044 4.826 51 2HH1 ARG 6 2HH2 ARG 6 14.051 0.162 6.203 52 1HH2 ARG 6 2HH1 ARG 6 11.742 2.039 7.981 53 2HH2 ARG 6 1HH1 ARG 6 13.327 1.342 7.989 54 H LEU 7 H LEU 7 6.470 -0.402 1.919 55 HA LEU 7 HA LEU 7 5.805 1.465 -0.313 56 1HB LEU 7 2HB LEU 7 4.654 -1.323 -0.131 57 2HB LEU 7 1HB LEU 7 4.589 -0.204 -1.492 58 HG LEU 7 HG LEU 7 7.304 -0.453 -1.047 59 1HD1 LEU 7 1HD1 LEU 7 7.494 -2.294 0.294 60 2HD1 LEU 7 2HD1 LEU 7 7.230 -3.164 -1.217 61 3HD1 LEU 7 3HD1 LEU 7 5.882 -2.882 -0.115 62 1HD2 LEU 7 1HD2 LEU 7 7.285 -1.758 -3.123 63 2HD2 LEU 7 2HD2 LEU 7 6.078 -0.475 -3.217 64 3HD2 LEU 7 3HD2 LEU 7 5.577 -2.135 -2.892 65 H TYR 8 H TYR 8 3.482 1.991 -0.393 66 HA TYR 8 HA TYR 8 2.213 1.720 2.301 67 1HB TYR 8 2HB TYR 8 2.733 4.044 1.765 68 2HB TYR 8 1HB TYR 8 1.924 3.895 0.205 69 HD1 TYR 8 HD1 TYR 8 0.771 2.421 3.418 70 HD2 TYR 8 HD2 TYR 8 0.168 5.498 0.478 71 HE1 TYR 8 HE1 TYR 8 -1.392 3.013 4.481 72 HE2 TYR 8 HE2 TYR 8 -1.994 6.091 1.542 73 HH TYR 8 HH TYR 8 -3.009 5.852 3.898 74 H ILE 9 H ILE 9 0.964 -0.125 1.953 75 HA ILE 9 HA ILE 9 -0.745 -0.238 -0.468 76 HB ILE 9 HB ILE 9 -0.398 -2.256 1.771 77 1HG1 ILE 9 2HG1 ILE 9 0.731 -2.460 -1.019 78 2HG1 ILE 9 1HG1 ILE 9 1.630 -1.642 0.260 79 1HG2 ILE 9 1HG2 ILE 9 -1.984 -2.152 -0.757 80 2HG2 ILE 9 2HG2 ILE 9 -2.372 -2.924 0.781 81 3HG2 ILE 9 3HG2 ILE 9 -1.235 -3.690 -0.328 82 1HD1 ILE 9 1HD1 ILE 9 2.251 -3.609 1.163 83 2HD1 ILE 9 2HD1 ILE 9 1.538 -4.413 -0.235 84 3HD1 ILE 9 3HD1 ILE 9 0.577 -4.161 1.221 85 H THR 10 H THR 10 -2.812 0.485 -0.373 86 HA THR 10 HA THR 10 -4.006 1.653 1.893 87 HB THR 10 HB THR 10 -6.198 0.855 0.506 88 HG1 THR 10 HG1 THR 10 -4.724 -0.404 -0.844 89 1HG2 THR 10 1HG2 THR 10 -6.230 3.027 -0.179 90 2HG2 THR 10 2HG2 THR 10 -4.615 2.931 -0.883 91 3HG2 THR 10 3HG2 THR 10 -4.808 3.169 0.854 92 H GLU 11 H GLU 11 -4.914 0.786 3.704 93 HA GLU 11 HA GLU 11 -4.850 -2.029 4.218 94 1HB GLU 11 2HB GLU 11 -5.362 0.325 5.695 95 2HB GLU 11 1HB GLU 11 -6.798 -0.684 5.874 96 1HG GLU 11 2HG GLU 11 -5.106 -1.191 7.614 97 2HG GLU 11 1HG GLU 11 -5.401 -2.581 6.570 98 H GLY 12 H GLY 12 -6.488 -3.584 4.112 99 1HA GLY 12 2HA GLY 12 -9.216 -2.774 3.351 100 2HA GLY 12 1HA GLY 12 -8.338 -3.708 2.139 101 H GLU 13 H GLU 13 -10.610 -4.839 3.123 102 HA GLU 13 HA GLU 13 -9.515 -7.109 4.701 103 1HB GLU 13 2HB GLU 13 -10.882 -5.278 6.062 104 2HB GLU 13 1HB GLU 13 -12.264 -6.130 5.374 105 1HG GLU 13 2HG GLU 13 -10.483 -8.132 6.270 106 2HG GLU 13 1HG GLU 13 -10.556 -6.931 7.559 107 H VAL 14 H VAL 14 -9.785 -7.462 2.094 108 HA VAL 14 HA VAL 14 -12.244 -9.112 1.863 109 HB VAL 14 HB VAL 14 -12.336 -8.229 -0.596 110 1HG1 VAL 14 1HG1 VAL 14 -14.118 -7.859 1.030 111 2HG1 VAL 14 2HG1 VAL 14 -13.817 -6.361 0.150 112 3HG1 VAL 14 3HG1 VAL 14 -13.195 -6.561 1.788 113 1HG2 VAL 14 1HG2 VAL 14 -10.325 -6.918 -0.638 114 2HG2 VAL 14 2HG2 VAL 14 -10.761 -6.086 0.854 115 3HG2 VAL 14 3HG2 VAL 14 -11.663 -5.770 -0.627 116 H GLU 15 H GLU 15 -11.996 -10.229 -0.527 117 HA GLU 15 HA GLU 15 -9.577 -11.832 -0.297 118 1HB GLU 15 2HB GLU 15 -11.997 -12.448 -1.201 119 2HB GLU 15 1HB GLU 15 -11.313 -11.913 -2.737 120 1HG GLU 15 2HG GLU 15 -10.795 -14.208 -2.697 121 2HG GLU 15 1HG GLU 15 -9.308 -13.454 -2.121 122 H ASP 16 H ASP 16 -10.315 -8.882 -1.809 123 HA ASP 16 HA ASP 16 -8.535 -9.167 -4.098 124 1HB ASP 16 2HB ASP 16 -10.446 -7.269 -3.185 125 2HB ASP 16 1HB ASP 16 -8.909 -6.419 -3.346 126 H TYR 17 H TYR 17 -8.325 -7.275 -1.059 127 HA TYR 17 HA TYR 17 -5.563 -6.577 -1.461 128 1HB TYR 17 2HB TYR 17 -7.070 -5.314 0.049 129 2HB TYR 17 1HB TYR 17 -7.158 -6.712 1.117 130 HD1 TYR 17 HD1 TYR 17 -4.017 -6.016 -0.633 131 HD2 TYR 17 HD2 TYR 17 -6.241 -5.354 2.986 132 HE1 TYR 17 HE1 TYR 17 -1.943 -5.278 0.508 133 HE2 TYR 17 HE2 TYR 17 -4.165 -4.617 4.125 134 HH TYR 17 HH TYR 17 -1.090 -4.356 2.355 135 H ARG 18 H ARG 18 -7.149 -9.410 -0.244 136 HA ARG 18 HA ARG 18 -4.893 -10.425 1.276 137 1HB ARG 18 2HB ARG 18 -7.589 -11.282 0.615 138 2HB ARG 18 1HB ARG 18 -6.444 -12.612 0.439 139 1HG ARG 18 2HG ARG 18 -6.843 -12.809 2.696 140 2HG ARG 18 1HG ARG 18 -5.549 -11.613 2.765 141 1HD ARG 18 2HD ARG 18 -7.038 -9.835 3.127 142 2HD ARG 18 1HD ARG 18 -8.414 -10.734 2.489 143 HE ARG 18 HE ARG 18 -7.134 -11.437 5.101 144 1HH1 ARG 18 2HH1 ARG 18 -9.599 -12.342 3.081 145 2HH1 ARG 18 1HH1 ARG 18 -10.877 -12.159 4.235 146 1HH2 ARG 18 1HH2 ARG 18 -8.884 -10.578 6.590 147 2HH2 ARG 18 2HH2 ARG 18 -10.472 -11.161 6.222 148 H VAL 19 H VAL 19 -6.278 -11.362 -1.900 149 HA VAL 19 HA VAL 19 -4.161 -13.127 -2.614 150 HB VAL 19 HB VAL 19 -5.972 -11.464 -4.390 151 1HG1 VAL 19 1HG1 VAL 19 -3.895 -13.544 -4.937 152 2HG1 VAL 19 2HG1 VAL 19 -4.357 -12.141 -5.901 153 3HG1 VAL 19 3HG1 VAL 19 -5.373 -13.584 -5.899 154 1HG2 VAL 19 1HG2 VAL 19 -6.761 -13.353 -2.643 155 2HG2 VAL 19 2HG2 VAL 19 -6.292 -14.400 -3.984 156 3HG2 VAL 19 3HG2 VAL 19 -7.522 -13.159 -4.222 157 H PHE 20 H PHE 20 -4.521 -9.624 -3.006 158 HA PHE 20 HA PHE 20 -2.247 -9.238 -4.707 159 1HB PHE 20 2HB PHE 20 -4.074 -7.538 -4.159 160 2HB PHE 20 1HB PHE 20 -3.238 -7.275 -2.628 161 HD1 PHE 20 HD1 PHE 20 -2.413 -7.547 -6.286 162 HD2 PHE 20 HD2 PHE 20 -1.670 -5.556 -2.550 163 HE1 PHE 20 HE1 PHE 20 -0.816 -6.021 -7.416 164 HE2 PHE 20 HE2 PHE 20 -0.073 -4.031 -3.681 165 HZ PHE 20 HZ PHE 20 0.354 -4.263 -6.114 166 H LEU 21 H LEU 21 -2.578 -8.891 -1.158 167 HA LEU 21 HA LEU 21 0.182 -8.401 -0.648 168 1HB LEU 21 2HB LEU 21 -1.715 -8.084 0.988 169 2HB LEU 21 1HB LEU 21 -1.757 -9.836 1.188 170 HG LEU 21 HG LEU 21 0.929 -8.646 1.439 171 1HD1 LEU 21 1HD1 LEU 21 -0.834 -7.022 2.532 172 2HD1 LEU 21 2HD1 LEU 21 0.619 -7.466 3.427 173 3HD1 LEU 21 3HD1 LEU 21 -0.913 -8.265 3.780 174 1HD2 LEU 21 1HD2 LEU 21 0.952 -10.830 2.141 175 2HD2 LEU 21 2HD2 LEU 21 -0.748 -10.802 2.614 176 3HD2 LEU 21 3HD2 LEU 21 0.475 -10.105 3.677 177 H GLU 22 H GLU 22 -1.535 -11.314 -1.435 178 HA GLU 22 HA GLU 22 0.469 -13.139 -0.370 179 1HB GLU 22 2HB GLU 22 -2.008 -13.650 -0.878 180 2HB GLU 22 1HB GLU 22 -1.505 -13.779 -2.563 181 1HG GLU 22 2HG GLU 22 -0.202 -15.667 -2.174 182 2HG GLU 22 1HG GLU 22 0.039 -15.274 -0.471 183 H ARG 23 H ARG 23 -0.237 -11.700 -3.539 184 HA ARG 23 HA ARG 23 1.744 -13.186 -4.997 185 1HB ARG 23 2HB ARG 23 0.031 -10.829 -5.462 186 2HB ARG 23 1HB ARG 23 1.557 -10.804 -6.347 187 1HG ARG 23 2HG ARG 23 0.486 -12.118 -7.853 188 2HG ARG 23 1HG ARG 23 0.744 -13.412 -6.683 189 1HD ARG 23 2HD ARG 23 -1.445 -12.832 -5.626 190 2HD ARG 23 1HD ARG 23 -1.710 -11.645 -6.902 191 HE ARG 23 HE ARG 23 -2.240 -14.416 -7.164 192 1HH1 ARG 23 2HH1 ARG 23 -1.887 -11.609 -8.925 193 2HH1 ARG 23 1HH1 ARG 23 -1.521 -12.378 -10.433 194 1HH2 ARG 23 1HH2 ARG 23 -1.202 -15.540 -9.045 195 2HH2 ARG 23 2HH2 ARG 23 -1.132 -14.604 -10.501 196 H LEU 24 H LEU 24 1.823 -9.906 -3.567 197 HA LEU 24 HA LEU 24 4.456 -9.214 -4.258 198 1HB LEU 24 2HB LEU 24 2.573 -8.461 -2.092 199 2HB LEU 24 1HB LEU 24 4.274 -8.106 -1.790 200 HG LEU 24 HG LEU 24 3.711 -7.373 -4.487 201 1HD1 LEU 24 1HD1 LEU 24 1.532 -6.774 -4.397 202 2HD1 LEU 24 2HD1 LEU 24 2.053 -5.452 -3.352 203 3HD1 LEU 24 3HD1 LEU 24 1.477 -6.961 -2.644 204 1HD2 LEU 24 1HD2 LEU 24 4.092 -5.033 -3.353 205 2HD2 LEU 24 2HD2 LEU 24 5.408 -6.206 -3.373 206 3HD2 LEU 24 3HD2 LEU 24 4.439 -5.992 -1.915 207 H GLU 25 H GLU 25 3.372 -10.951 -1.319 208 HA GLU 25 HA GLU 25 6.081 -11.385 -0.387 209 1HB GLU 25 2HB GLU 25 3.510 -11.688 0.680 210 2HB GLU 25 1HB GLU 25 4.159 -13.327 0.607 211 1HG GLU 25 2HG GLU 25 5.671 -12.918 2.243 212 2HG GLU 25 1HG GLU 25 6.112 -11.353 1.557 213 H GLN 26 H GLN 26 4.030 -12.998 -2.665 214 HA GLN 26 HA GLN 26 5.139 -15.631 -2.493 215 1HB GLN 26 2HB GLN 26 3.173 -14.414 -4.011 216 2HB GLN 26 1HB GLN 26 4.421 -14.774 -5.205 217 1HG GLN 26 2HG GLN 26 4.323 -17.076 -4.809 218 2HG GLN 26 1HG GLN 26 3.625 -16.869 -3.202 219 1HE2 GLN 26 1HE2 GLN 26 2.404 -15.070 -5.999 220 2HE2 GLN 26 2HE2 GLN 26 0.914 -15.878 -6.091 221 H SER 27 H SER 27 6.123 -12.753 -4.331 222 HA SER 27 HA SER 27 8.091 -13.855 -5.985 223 1HB SER 27 2HB SER 27 9.032 -11.690 -6.124 224 2HB SER 27 1HB SER 27 7.342 -11.391 -5.732 225 HG SER 27 HG SER 27 8.274 -10.262 -4.187 226 H GLY 28 H GLY 28 8.500 -12.753 -2.604 227 1HA GLY 28 2HA GLY 28 9.829 -14.205 -1.085 228 2HA GLY 28 1HA GLY 28 10.885 -14.552 -2.455 229 H LEU 29 H LEU 29 9.621 -11.617 -0.828 230 HA LEU 29 HA LEU 29 12.434 -10.657 -0.626 231 1HB LEU 29 2HB LEU 29 10.313 -9.533 -2.282 232 2HB LEU 29 1HB LEU 29 10.930 -8.356 -1.121 233 HG LEU 29 HG LEU 29 12.811 -10.051 -2.758 234 1HD1 LEU 29 1HD1 LEU 29 12.913 -8.246 -4.411 235 2HD1 LEU 29 2HD1 LEU 29 11.680 -7.344 -3.530 236 3HD1 LEU 29 3HD1 LEU 29 11.266 -8.870 -4.310 237 1HD2 LEU 29 1HD2 LEU 29 13.211 -8.334 -0.660 238 2HD2 LEU 29 2HD2 LEU 29 13.411 -7.248 -2.035 239 3HD2 LEU 29 3HD2 LEU 29 14.421 -8.687 -1.893 240 H GLU 30 H GLU 30 12.726 -9.073 1.087 241 HA GLU 30 HA GLU 30 10.754 -9.439 3.262 242 1HB GLU 30 2HB GLU 30 13.276 -9.698 3.576 243 2HB GLU 30 1HB GLU 30 13.382 -7.946 3.400 244 1HG GLU 30 2HG GLU 30 13.112 -8.030 5.681 245 2HG GLU 30 1HG GLU 30 11.408 -8.058 5.223 246 H TRP 31 H TRP 31 9.424 -7.955 1.565 247 HA TRP 31 HA TRP 31 10.006 -5.089 1.919 248 1HB TRP 31 2HB TRP 31 8.071 -4.737 0.467 249 2HB TRP 31 1HB TRP 31 9.107 -5.980 -0.235 250 HD1 TRP 31 HD1 TRP 31 8.152 -8.377 -0.481 251 HE1 TRP 31 HE1 TRP 31 5.847 -9.440 -0.028 252 HE3 TRP 31 HE3 TRP 31 5.934 -4.587 2.124 253 HZ2 TRP 31 HZ2 TRP 31 3.385 -8.768 1.270 254 HZ3 TRP 31 HZ3 TRP 31 3.610 -4.822 2.958 255 HH2 TRP 31 HH2 TRP 31 2.334 -6.907 2.533 256 H ARG 32 H ARG 32 8.312 -3.635 2.826 257 HA ARG 32 HA ARG 32 6.319 -4.902 4.593 258 1HB ARG 32 2HB ARG 32 8.651 -3.269 5.625 259 2HB ARG 32 1HB ARG 32 7.192 -3.570 6.568 260 1HG ARG 32 2HG ARG 32 7.552 -6.009 6.330 261 2HG ARG 32 1HG ARG 32 9.034 -5.692 5.427 262 1HD ARG 32 2HD ARG 32 10.138 -5.603 7.386 263 2HD ARG 32 1HD ARG 32 9.226 -4.146 7.777 264 HE ARG 32 HE ARG 32 7.479 -6.139 8.483 265 1HH1 ARG 32 1HH2 ARG 32 10.730 -6.828 8.690 266 2HH1 ARG 32 2HH2 ARG 32 10.771 -7.029 10.410 267 1HH2 ARG 32 2HH1 ARG 32 7.551 -5.837 10.894 268 2HH2 ARG 32 1HH1 ARG 32 8.972 -6.469 11.658 269 HA PRO 33 HA PRO 33 4.185 -1.184 3.640 270 1HB PRO 33 2HB PRO 33 2.368 -1.209 5.702 271 2HB PRO 33 1HB PRO 33 2.269 -2.285 4.297 272 1HG PRO 33 2HG PRO 33 3.098 -2.917 7.089 273 2HG PRO 33 1HG PRO 33 2.404 -3.982 5.857 274 1HD PRO 33 2HD PRO 33 5.139 -3.842 6.587 275 2HD PRO 33 1HD PRO 33 4.477 -4.664 5.158 276 H ALA 34 H ALA 34 3.938 1.023 4.374 277 HA ALA 34 HA ALA 34 4.976 1.725 7.049 278 1HB ALA 34 1HB ALA 34 6.756 3.101 6.278 279 2HB ALA 34 2HB ALA 34 6.204 3.013 4.606 280 3HB ALA 34 3HB ALA 34 6.925 1.597 5.372 281 H THR 35 H THR 35 4.814 4.220 7.306 282 HA THR 35 HA THR 35 2.136 5.021 6.705 283 HB THR 35 HB THR 35 3.412 7.390 7.216 284 HG1 THR 35 HG1 THR 35 5.386 6.049 7.288 285 1HG2 THR 35 1HG2 THR 35 3.032 5.697 9.601 286 2HG2 THR 35 2HG2 THR 35 1.658 5.727 8.495 287 3HG2 THR 35 3HG2 THR 35 2.274 7.232 9.177 288 HA PRO 36 HA PRO 36 2.477 6.898 2.758 289 1HB PRO 36 2HB PRO 36 0.887 9.120 3.059 290 2HB PRO 36 1HB PRO 36 0.251 7.471 2.933 291 1HG PRO 36 2HG PRO 36 0.477 9.216 5.342 292 2HG PRO 36 1HG PRO 36 -0.662 7.899 5.013 293 1HD PRO 36 2HD PRO 36 1.629 7.732 6.665 294 2HD PRO 36 1HD PRO 36 0.679 6.359 6.056 295 H GLU 37 H GLU 37 3.705 8.521 5.494 296 HA GLU 37 HA GLU 37 4.661 10.876 4.002 297 1HB GLU 37 2HB GLU 37 4.611 9.997 6.841 298 2HB GLU 37 1HB GLU 37 5.968 11.020 6.367 299 1HG GLU 37 2HG GLU 37 3.797 12.250 5.154 300 2HG GLU 37 1HG GLU 37 3.144 11.718 6.703 301 H ASP 38 H ASP 38 5.772 7.711 4.874 302 HA ASP 38 HA ASP 38 8.410 8.365 3.641 303 1HB ASP 38 2HB ASP 38 7.847 7.240 6.324 304 2HB ASP 38 1HB ASP 38 9.093 6.400 5.400 305 H ALA 39 H ALA 39 6.420 7.310 2.118 306 HA ALA 39 HA ALA 39 6.915 4.367 2.073 307 1HB ALA 39 1HB ALA 39 4.757 4.128 1.449 308 2HB ALA 39 2HB ALA 39 4.916 5.354 0.191 309 3HB ALA 39 3HB ALA 39 4.548 5.832 1.848 310 H ASP 40 H ASP 40 8.744 4.066 0.838 311 HA ASP 40 HA ASP 40 9.716 5.674 -1.240 312 1HB ASP 40 2HB ASP 40 10.908 3.710 -0.224 313 2HB ASP 40 1HB ASP 40 9.860 2.644 -1.161 314 H ALA 41 H ALA 41 7.460 2.915 -1.484 315 HA ALA 41 HA ALA 41 6.687 3.964 -4.179 316 1HB ALA 41 1HB ALA 41 7.416 1.254 -3.289 317 2HB ALA 41 2HB ALA 41 7.398 1.936 -4.915 318 3HB ALA 41 3HB ALA 41 5.907 1.323 -4.199 319 H VAL 42 H VAL 42 4.494 4.275 -4.499 320 HA VAL 42 HA VAL 42 2.743 3.704 -2.152 321 HB VAL 42 HB VAL 42 2.185 5.559 -4.482 322 1HG1 VAL 42 1HG1 VAL 42 0.270 6.120 -3.380 323 2HG1 VAL 42 2HG1 VAL 42 1.033 6.003 -1.794 324 3HG1 VAL 42 3HG1 VAL 42 0.473 4.544 -2.613 325 1HG2 VAL 42 1HG2 VAL 42 4.085 5.847 -2.358 326 2HG2 VAL 42 2HG2 VAL 42 2.751 6.962 -2.058 327 3HG2 VAL 42 3HG2 VAL 42 3.633 7.032 -3.583 328 H ILE 43 H ILE 43 0.898 2.447 -2.412 329 HA ILE 43 HA ILE 43 0.247 1.516 -5.167 330 HB ILE 43 HB ILE 43 0.266 -0.420 -2.861 331 1HG1 ILE 43 2HG1 ILE 43 2.591 0.317 -4.668 332 2HG1 ILE 43 1HG1 ILE 43 2.529 0.480 -2.913 333 1HG2 ILE 43 1HG2 ILE 43 1.037 -1.393 -5.479 334 2HG2 ILE 43 2HG2 ILE 43 -0.484 -0.508 -5.576 335 3HG2 ILE 43 3HG2 ILE 43 -0.329 -1.877 -4.474 336 1HD1 ILE 43 1HD1 ILE 43 2.529 -2.082 -4.524 337 2HD1 ILE 43 2HD1 ILE 43 2.152 -2.029 -2.802 338 3HD1 ILE 43 3HD1 ILE 43 3.747 -1.538 -3.372 339 H VAL 44 H VAL 44 -1.886 1.884 -5.495 340 HA VAL 44 HA VAL 44 -3.692 1.842 -3.109 341 HB VAL 44 HB VAL 44 -4.374 3.262 -5.670 342 1HG1 VAL 44 1HG1 VAL 44 -5.712 2.842 -3.307 343 2HG1 VAL 44 2HG1 VAL 44 -6.036 4.176 -4.414 344 3HG1 VAL 44 3HG1 VAL 44 -4.977 4.420 -3.026 345 1HG2 VAL 44 1HG2 VAL 44 -2.255 3.964 -3.722 346 2HG2 VAL 44 2HG2 VAL 44 -3.381 5.265 -4.108 347 3HG2 VAL 44 3HG2 VAL 44 -2.462 4.483 -5.394 348 H LEU 45 H LEU 45 -5.027 0.107 -3.117 349 HA LEU 45 HA LEU 45 -5.433 -1.424 -5.596 350 1HB LEU 45 2HB LEU 45 -6.799 -1.977 -2.965 351 2HB LEU 45 1HB LEU 45 -6.327 -3.120 -4.222 352 HG LEU 45 HG LEU 45 -4.536 -1.658 -2.272 353 1HD1 LEU 45 1HD1 LEU 45 -3.897 -4.400 -2.606 354 2HD1 LEU 45 2HD1 LEU 45 -5.654 -4.305 -2.490 355 3HD1 LEU 45 3HD1 LEU 45 -4.649 -3.637 -1.205 356 1HD2 LEU 45 1HD2 LEU 45 -3.938 -2.851 -4.957 357 2HD2 LEU 45 2HD2 LEU 45 -2.755 -3.054 -3.665 358 3HD2 LEU 45 3HD2 LEU 45 -3.228 -1.435 -4.180 359 H ALA 46 H ALA 46 -7.143 -1.097 -6.929 360 HA ALA 46 HA ALA 46 -9.232 0.808 -6.173 361 1HB ALA 46 1HB ALA 46 -10.024 -0.365 -8.560 362 2HB ALA 46 2HB ALA 46 -8.264 -0.463 -8.628 363 3HB ALA 46 3HB ALA 46 -9.054 1.100 -8.410 364 H GLY 47 H GLY 47 -8.799 -2.384 -5.454 365 1HA GLY 47 2HA GLY 47 -11.535 -3.312 -5.937 366 2HA GLY 47 1HA GLY 47 -10.282 -4.192 -5.061 367 H LEU 48 H LEU 48 -10.204 -1.197 -3.744 368 HA LEU 48 HA LEU 48 -12.255 -1.912 -1.685 369 1HB LEU 48 2HB LEU 48 -9.708 -0.356 -1.175 370 2HB LEU 48 1HB LEU 48 -10.808 -1.045 0.020 371 HG LEU 48 HG LEU 48 -9.663 -2.938 -1.966 372 1HD1 LEU 48 1HD1 LEU 48 -7.906 -2.483 0.354 373 2HD1 LEU 48 2HD1 LEU 48 -7.907 -1.162 -0.815 374 3HD1 LEU 48 3HD1 LEU 48 -7.488 -2.797 -1.330 375 1HD2 LEU 48 1HD2 LEU 48 -11.231 -3.365 0.078 376 2HD2 LEU 48 2HD2 LEU 48 -9.759 -3.199 1.034 377 3HD2 LEU 48 3HD2 LEU 48 -9.878 -4.463 -0.189 378 H TRP 49 H TRP 49 -12.342 -0.117 -4.142 379 HA TRP 49 HA TRP 49 -12.514 2.589 -3.031 380 1HB TRP 49 2HB TRP 49 -12.043 1.709 -5.532 381 2HB TRP 49 1HB TRP 49 -13.788 1.940 -5.643 382 HD1 TRP 49 HD1 TRP 49 -13.721 4.420 -3.474 383 HE1 TRP 49 HE1 TRP 49 -12.983 6.729 -4.352 384 HE3 TRP 49 HE3 TRP 49 -11.227 2.999 -7.699 385 HZ2 TRP 49 HZ2 TRP 49 -11.525 7.827 -6.557 386 HZ3 TRP 49 HZ3 TRP 49 -10.173 4.694 -9.168 387 HH2 TRP 49 HH2 TRP 49 -10.319 7.104 -8.602 388 H GLY 50 H GLY 50 -14.409 -0.013 -2.565 389 1HA GLY 50 2HA GLY 50 -16.950 1.554 -2.707 390 2HA GLY 50 1HA GLY 50 -16.871 -0.208 -2.712 391 H THR 51 H THR 51 -14.568 0.623 -0.566 392 HA THR 51 HA THR 51 -16.496 0.738 1.718 393 HB THR 51 HB THR 51 -14.738 -0.635 2.961 394 HG1 THR 51 HG1 THR 51 -13.900 -1.331 0.360 395 1HG2 THR 51 1HG2 THR 51 -15.503 -2.509 0.899 396 2HG2 THR 51 2HG2 THR 51 -16.832 -1.398 1.233 397 3HG2 THR 51 3HG2 THR 51 -16.129 -2.350 2.541 398 H ARG 52 H ARG 52 -13.243 1.524 0.535 399 HA ARG 52 HA ARG 52 -13.050 3.559 2.718 400 1HB ARG 52 2HB ARG 52 -11.123 1.668 1.583 401 2HB ARG 52 1HB ARG 52 -10.514 3.323 1.618 402 1HG ARG 52 2HG ARG 52 -10.113 3.093 3.818 403 2HG ARG 52 1HG ARG 52 -11.845 2.898 4.084 404 1HD ARG 52 2HD ARG 52 -11.084 0.422 3.097 405 2HD ARG 52 1HD ARG 52 -9.719 0.882 4.115 406 HE ARG 52 HE ARG 52 -11.801 1.424 5.770 407 1HH1 ARG 52 2HH1 ARG 52 -10.527 -1.315 4.181 408 2HH1 ARG 52 1HH1 ARG 52 -11.595 -2.442 4.949 409 1HH2 ARG 52 1HH2 ARG 52 -13.445 0.004 6.566 410 2HH2 ARG 52 2HH2 ARG 52 -13.247 -1.696 6.299 411 H ARG 53 H ARG 53 -14.467 4.835 1.145 412 HA ARG 53 HA ARG 53 -13.274 5.738 -1.346 413 1HB ARG 53 2HB ARG 53 -15.812 5.770 -0.351 414 2HB ARG 53 1HB ARG 53 -15.327 7.443 -0.067 415 1HG ARG 53 2HG ARG 53 -14.415 7.253 -2.550 416 2HG ARG 53 1HG ARG 53 -15.618 5.967 -2.656 417 1HD ARG 53 2HD ARG 53 -17.403 7.420 -2.287 418 2HD ARG 53 1HD ARG 53 -16.394 8.608 -1.463 419 HE ARG 53 HE ARG 53 -15.689 9.442 -3.602 420 1HH1 ARG 53 2HH1 ARG 53 -18.540 9.249 -4.301 421 2HH1 ARG 53 1HH1 ARG 53 -18.526 8.302 -5.752 422 1HH2 ARG 53 1HH2 ARG 53 -15.309 7.107 -5.256 423 2HH2 ARG 53 2HH2 ARG 53 -16.697 7.089 -6.293 424 H ASP 54 H ASP 54 -14.111 7.606 1.600 425 HA ASP 54 HA ASP 54 -12.440 9.822 0.956 426 1HB ASP 54 2HB ASP 54 -14.178 10.015 2.654 427 2HB ASP 54 1HB ASP 54 -13.379 8.802 3.655 428 H GLU 55 H GLU 55 -11.687 6.677 2.139 429 HA GLU 55 HA GLU 55 -9.155 7.397 3.391 430 1HB GLU 55 2HB GLU 55 -10.778 5.043 3.129 431 2HB GLU 55 1HB GLU 55 -9.140 4.665 2.594 432 1HG GLU 55 2HG GLU 55 -8.908 4.315 4.872 433 2HG GLU 55 1HG GLU 55 -8.481 6.025 4.781 434 H ILE 56 H ILE 56 -10.147 6.065 0.241 435 HA ILE 56 HA ILE 56 -7.427 5.811 -0.733 436 HB ILE 56 HB ILE 56 -10.074 5.917 -2.209 437 1HG1 ILE 56 2HG1 ILE 56 -8.357 3.483 -1.793 438 2HG1 ILE 56 1HG1 ILE 56 -9.437 4.017 -0.505 439 1HG2 ILE 56 1HG2 ILE 56 -8.437 4.590 -3.873 440 2HG2 ILE 56 2HG2 ILE 56 -7.241 5.632 -3.102 441 3HG2 ILE 56 3HG2 ILE 56 -8.619 6.342 -3.944 442 1HD1 ILE 56 1HD1 ILE 56 -10.868 2.617 -1.670 443 2HD1 ILE 56 2HD1 ILE 56 -10.105 2.958 -3.223 444 3HD1 ILE 56 3HD1 ILE 56 -11.192 4.141 -2.497 445 H LEU 57 H LEU 57 -9.917 8.317 -0.905 446 HA LEU 57 HA LEU 57 -8.565 9.968 -2.833 447 1HB LEU 57 2HB LEU 57 -10.749 10.385 -0.820 448 2HB LEU 57 1HB LEU 57 -10.001 11.797 -1.569 449 HG LEU 57 HG LEU 57 -10.894 9.506 -3.294 450 1HD1 LEU 57 1HD1 LEU 57 -13.115 10.024 -3.165 451 2HD1 LEU 57 2HD1 LEU 57 -12.801 11.742 -2.916 452 3HD1 LEU 57 3HD1 LEU 57 -12.677 10.618 -1.562 453 1HD2 LEU 57 1HD2 LEU 57 -9.609 11.880 -3.789 454 2HD2 LEU 57 2HD2 LEU 57 -11.292 12.329 -4.068 455 3HD2 LEU 57 3HD2 LEU 57 -10.570 11.004 -4.981 456 H GLY 58 H GLY 58 -8.339 9.641 0.669 457 1HA GLY 58 2HA GLY 58 -6.764 12.031 1.079 458 2HA GLY 58 1HA GLY 58 -6.913 10.691 2.217 459 H ALA 59 H ALA 59 -5.928 8.577 0.719 460 HA ALA 59 HA ALA 59 -3.121 8.847 1.017 461 1HB ALA 59 1HB ALA 59 -3.814 6.625 0.966 462 2HB ALA 59 2HB ALA 59 -3.160 6.808 -0.662 463 3HB ALA 59 3HB ALA 59 -4.902 6.890 -0.397 464 H VAL 60 H VAL 60 -5.026 8.801 -2.022 465 HA VAL 60 HA VAL 60 -2.818 9.460 -3.713 466 HB VAL 60 HB VAL 60 -5.780 10.001 -4.091 467 1HG1 VAL 60 1HG1 VAL 60 -4.314 9.600 -6.525 468 2HG1 VAL 60 2HG1 VAL 60 -3.526 10.876 -5.598 469 3HG1 VAL 60 3HG1 VAL 60 -5.232 11.019 -6.022 470 1HG2 VAL 60 1HG2 VAL 60 -5.095 7.604 -3.758 471 2HG2 VAL 60 2HG2 VAL 60 -4.028 7.763 -5.154 472 3HG2 VAL 60 3HG2 VAL 60 -5.773 7.924 -5.355 473 H ASP 61 H ASP 61 -4.925 11.422 -1.716 474 HA ASP 61 HA ASP 61 -4.395 13.957 -2.935 475 1HB ASP 61 2HB ASP 61 -5.746 12.983 -0.602 476 2HB ASP 61 1HB ASP 61 -4.681 14.304 -0.119 477 H LEU 62 H LEU 62 -2.794 12.270 -0.220 478 HA LEU 62 HA LEU 62 -0.809 14.325 0.172 479 1HB LEU 62 2HB LEU 62 -1.361 12.664 1.917 480 2HB LEU 62 1HB LEU 62 -0.718 11.379 0.894 481 HG LEU 62 HG LEU 62 1.433 12.913 0.851 482 1HD1 LEU 62 1HD1 LEU 62 0.371 13.607 3.586 483 2HD1 LEU 62 2HD1 LEU 62 0.078 14.666 2.207 484 3HD1 LEU 62 3HD1 LEU 62 1.730 14.321 2.718 485 1HD2 LEU 62 1HD2 LEU 62 0.798 11.435 3.411 486 2HD2 LEU 62 2HD2 LEU 62 2.352 11.564 2.584 487 3HD2 LEU 62 3HD2 LEU 62 1.059 10.588 1.887 488 H ALA 63 H ALA 63 -1.000 11.460 -1.875 489 HA ALA 63 HA ALA 63 1.800 11.543 -2.658 490 1HB ALA 63 1HB ALA 63 0.049 9.578 -2.815 491 2HB ALA 63 2HB ALA 63 1.300 9.737 -4.047 492 3HB ALA 63 3HB ALA 63 -0.337 10.310 -4.372 493 H ARG 64 H ARG 64 -1.044 13.265 -3.560 494 HA ARG 64 HA ARG 64 -0.345 13.943 -6.259 495 1HB ARG 64 2HB ARG 64 -2.229 14.946 -4.198 496 2HB ARG 64 1HB ARG 64 -1.762 16.109 -5.439 497 1HG ARG 64 2HG ARG 64 -2.266 13.604 -6.721 498 2HG ARG 64 1HG ARG 64 -3.628 13.959 -5.659 499 1HD ARG 64 2HD ARG 64 -2.515 15.677 -7.884 500 2HD ARG 64 1HD ARG 64 -4.144 15.015 -7.738 501 HE ARG 64 HE ARG 64 -3.669 16.682 -5.482 502 1HH1 ARG 64 2HH1 ARG 64 -5.867 16.724 -7.710 503 2HH1 ARG 64 1HH1 ARG 64 -5.709 18.365 -8.244 504 1HH2 ARG 64 1HH2 ARG 64 -2.654 18.858 -6.680 505 2HH2 ARG 64 2HH2 ARG 64 -3.890 19.571 -7.660 506 H LYS 65 H LYS 65 1.119 14.756 -3.316 507 HA LYS 65 HA LYS 65 1.942 17.444 -3.777 508 1HB LYS 65 2HB LYS 65 2.216 16.130 -1.629 509 2HB LYS 65 1HB LYS 65 3.573 15.301 -2.391 510 1HG LYS 65 2HG LYS 65 4.553 17.104 -1.188 511 2HG LYS 65 1HG LYS 65 4.527 17.635 -2.870 512 1HD LYS 65 2HD LYS 65 2.824 19.167 -2.507 513 2HD LYS 65 1HD LYS 65 2.164 18.263 -1.142 514 1HE LYS 65 2HE LYS 65 4.919 19.382 -0.863 515 2HE LYS 65 1HE LYS 65 3.562 20.506 -0.773 516 1HZ LYS 65 1HZ LYS 65 4.055 19.694 1.409 517 2HZ LYS 65 2HZ LYS 65 3.972 18.080 0.887 518 3HZ LYS 65 3HZ LYS 65 2.569 19.039 0.918 519 H SER 66 H SER 66 2.759 14.570 -5.422 520 HA SER 66 HA SER 66 4.164 14.278 -7.291 521 1HB SER 66 2HB SER 66 3.609 16.789 -7.619 522 2HB SER 66 1HB SER 66 5.182 17.090 -6.885 523 HG SER 66 HG SER 66 6.073 16.515 -8.692 524 H SER 67 H SER 67 5.178 12.963 -5.408 525 HA SER 67 HA SER 67 8.046 13.624 -5.353 526 1HB SER 67 2HB SER 67 8.280 13.712 -2.991 527 2HB SER 67 1HB SER 67 6.897 14.745 -3.337 528 HG SER 67 HG SER 67 6.729 13.038 -1.618 529 H LYS 68 H LYS 68 5.430 11.445 -4.344 530 HA LYS 68 HA LYS 68 7.370 9.179 -4.466 531 1HB LYS 68 2HB LYS 68 4.584 8.788 -3.465 532 2HB LYS 68 1HB LYS 68 6.092 8.064 -2.901 533 1HG LYS 68 2HG LYS 68 6.628 10.587 -2.227 534 2HG LYS 68 1HG LYS 68 4.869 10.695 -2.186 535 1HD LYS 68 2HD LYS 68 4.757 8.815 -0.624 536 2HD LYS 68 1HD LYS 68 6.509 8.619 -0.705 537 1HE LYS 68 2HE LYS 68 6.006 9.873 1.298 538 2HE LYS 68 1HE LYS 68 6.733 10.984 0.137 539 1HZ LYS 68 1HZ LYS 68 3.954 10.800 1.047 540 2HZ LYS 68 2HZ LYS 68 4.249 11.331 -0.539 541 3HZ LYS 68 3HZ LYS 68 4.914 12.173 0.778 542 HA PRO 69 HA PRO 69 5.426 7.747 -8.135 543 1HB PRO 69 2HB PRO 69 6.087 5.085 -7.938 544 2HB PRO 69 1HB PRO 69 7.245 6.351 -8.386 545 1HG PRO 69 2HG PRO 69 6.981 4.875 -5.808 546 2HG PRO 69 1HG PRO 69 8.409 5.645 -6.521 547 1HD PRO 69 2HD PRO 69 6.811 6.711 -4.438 548 2HD PRO 69 1HD PRO 69 8.037 7.593 -5.374 549 H ILE 70 H ILE 70 3.224 7.516 -8.327 550 HA ILE 70 HA ILE 70 1.764 5.878 -6.333 551 HB ILE 70 HB ILE 70 0.758 7.696 -8.544 552 1HG1 ILE 70 2HG1 ILE 70 1.042 8.036 -5.543 553 2HG1 ILE 70 1HG1 ILE 70 1.857 8.969 -6.799 554 1HG2 ILE 70 1HG2 ILE 70 -0.552 5.667 -6.977 555 2HG2 ILE 70 2HG2 ILE 70 -1.245 6.732 -8.200 556 3HG2 ILE 70 3HG2 ILE 70 -1.176 7.252 -6.518 557 1HD1 ILE 70 1HD1 ILE 70 -0.917 9.190 -5.783 558 2HD1 ILE 70 2HD1 ILE 70 -0.735 9.329 -7.532 559 3HD1 ILE 70 3HD1 ILE 70 0.135 10.431 -6.465 560 H ILE 71 H ILE 71 1.253 3.805 -6.811 561 HA ILE 71 HA ILE 71 1.135 3.028 -9.699 562 HB ILE 71 HB ILE 71 1.805 1.285 -7.306 563 1HG1 ILE 71 2HG1 ILE 71 3.763 1.921 -9.472 564 2HG1 ILE 71 1HG1 ILE 71 3.447 3.173 -8.268 565 1HG2 ILE 71 1HG2 ILE 71 2.489 0.460 -10.062 566 2HG2 ILE 71 2HG2 ILE 71 0.762 0.506 -9.708 567 3HG2 ILE 71 3HG2 ILE 71 1.836 -0.493 -8.730 568 1HD1 ILE 71 1HD1 ILE 71 4.905 2.101 -6.923 569 2HD1 ILE 71 2HD1 ILE 71 4.966 0.705 -7.999 570 3HD1 ILE 71 3HD1 ILE 71 3.700 0.821 -6.777 571 H THR 72 H THR 72 -0.928 2.653 -10.333 572 HA THR 72 HA THR 72 -3.022 2.133 -8.343 573 HB THR 72 HB THR 72 -3.175 2.239 -11.372 574 HG1 THR 72 HG1 THR 72 -2.528 4.162 -10.031 575 1HG2 THR 72 1HG2 THR 72 -5.076 1.514 -9.315 576 2HG2 THR 72 2HG2 THR 72 -5.268 1.479 -11.067 577 3HG2 THR 72 3HG2 THR 72 -5.615 2.958 -10.171 578 H VAL 73 H VAL 73 -4.200 0.185 -8.172 579 HA VAL 73 HA VAL 73 -2.993 -2.141 -9.617 580 HB VAL 73 HB VAL 73 -4.018 -1.910 -6.779 581 1HG1 VAL 73 1HG1 VAL 73 -3.235 -4.427 -8.280 582 2HG1 VAL 73 2HG1 VAL 73 -4.892 -3.975 -7.880 583 3HG1 VAL 73 3HG1 VAL 73 -3.739 -4.329 -6.593 584 1HG2 VAL 73 1HG2 VAL 73 -1.380 -2.606 -8.086 585 2HG2 VAL 73 2HG2 VAL 73 -1.716 -2.980 -6.396 586 3HG2 VAL 73 3HG2 VAL 73 -1.715 -1.305 -6.945 587 H ARG 74 H ARG 74 -4.441 -2.887 -11.086 588 HA ARG 74 HA ARG 74 -7.182 -2.214 -11.200 589 1HB ARG 74 2HB ARG 74 -5.839 -4.725 -12.253 590 2HB ARG 74 1HB ARG 74 -7.401 -4.096 -12.780 591 1HG ARG 74 2HG ARG 74 -6.291 -1.997 -13.507 592 2HG ARG 74 1HG ARG 74 -4.733 -2.679 -13.039 593 1HD ARG 74 2HD ARG 74 -5.005 -4.494 -14.657 594 2HD ARG 74 1HD ARG 74 -6.607 -3.895 -15.089 595 HE ARG 74 HE ARG 74 -5.431 -1.821 -15.938 596 1HH1 ARG 74 1HH2 ARG 74 -4.485 -4.910 -16.687 597 2HH1 ARG 74 2HH2 ARG 74 -2.912 -4.494 -17.284 598 1HH2 ARG 74 2HH1 ARG 74 -3.072 -1.211 -16.180 599 2HH2 ARG 74 1HH1 ARG 74 -2.114 -2.399 -16.997 600 HA PRO 75 HA PRO 75 -8.927 -4.758 -8.063 601 1HB PRO 75 2HB PRO 75 -11.534 -4.660 -8.927 602 2HB PRO 75 1HB PRO 75 -10.723 -3.315 -8.107 603 1HG PRO 75 2HG PRO 75 -11.414 -3.608 -10.992 604 2HG PRO 75 1HG PRO 75 -11.195 -2.135 -10.035 605 1HD PRO 75 2HD PRO 75 -9.308 -3.247 -11.833 606 2HD PRO 75 1HD PRO 75 -8.993 -1.963 -10.647 607 H TYR 76 H TYR 76 -10.232 -6.811 -7.847 608 HA TYR 76 HA TYR 76 -9.449 -8.726 -9.911 609 1HB TYR 76 2HB TYR 76 -9.831 -8.925 -7.216 610 2HB TYR 76 1HB TYR 76 -11.349 -9.592 -7.817 611 HD1 TYR 76 HD1 TYR 76 -10.071 -10.552 -10.511 612 HD2 TYR 76 HD2 TYR 76 -9.015 -11.078 -6.378 613 HE1 TYR 76 HE1 TYR 76 -8.919 -12.676 -11.075 614 HE2 TYR 76 HE2 TYR 76 -7.863 -13.202 -6.942 615 HH TYR 76 HH TYR 76 -8.106 -14.966 -8.873 616 H GLY 77 H GLY 77 -12.331 -6.962 -9.033 617 1HA GLY 77 2HA GLY 77 -14.054 -8.669 -10.715 618 2HA GLY 77 1HA GLY 77 -14.581 -7.267 -9.784 619 H LEU 78 H LEU 78 -12.037 -5.938 -11.097 620 HA LEU 78 HA LEU 78 -11.679 -4.523 -12.938 621 1HB LEU 78 2HB LEU 78 -11.686 -6.624 -14.221 622 2HB LEU 78 1HB LEU 78 -13.446 -6.568 -14.319 623 HG LEU 78 HG LEU 78 -13.372 -4.524 -15.615 624 1HD1 LEU 78 1HD1 LEU 78 -11.165 -3.534 -16.251 625 2HD1 LEU 78 2HD1 LEU 78 -10.378 -4.658 -15.143 626 3HD1 LEU 78 3HD1 LEU 78 -11.485 -3.435 -14.520 627 1HD2 LEU 78 1HD2 LEU 78 -12.356 -5.352 -17.629 628 2HD2 LEU 78 2HD2 LEU 78 -12.930 -6.765 -16.744 629 3HD2 LEU 78 3HD2 LEU 78 -11.218 -6.346 -16.720 630 H GLU 79 H GLU 79 -12.864 -2.765 -12.007 631 HA GLU 79 HA GLU 79 -15.700 -2.538 -12.916 632 1HB GLU 79 2HB GLU 79 -14.344 -1.886 -10.437 633 2HB GLU 79 1HB GLU 79 -15.159 -0.471 -11.102 634 1HG GLU 79 2HG GLU 79 -16.733 -1.662 -9.686 635 2HG GLU 79 1HG GLU 79 -17.232 -1.861 -11.366 636 H ASN 80 H ASN 80 -12.995 -1.863 -14.234 637 HA ASN 80 HA ASN 80 -12.180 -0.191 -15.672 638 1HB ASN 80 2HB ASN 80 -15.145 0.190 -15.628 639 2HB ASN 80 1HB ASN 80 -14.162 1.457 -16.365 640 1HD2 ASN 80 1HD2 ASN 80 -15.109 -1.951 -16.640 641 2HD2 ASN 80 2HD2 ASN 80 -14.498 -2.174 -18.208 642 H VAL 81 H VAL 81 -10.914 0.714 -13.885 643 HA VAL 81 HA VAL 81 -11.687 2.552 -11.963 644 HB VAL 81 HB VAL 81 -9.378 3.702 -12.609 645 1HG1 VAL 81 1HG1 VAL 81 -10.125 1.228 -11.216 646 2HG1 VAL 81 2HG1 VAL 81 -9.063 2.536 -10.692 647 3HG1 VAL 81 3HG1 VAL 81 -8.438 1.254 -11.730 648 1HG2 VAL 81 1HG2 VAL 81 -9.529 2.395 -14.863 649 2HG2 VAL 81 2HG2 VAL 81 -9.006 1.008 -13.909 650 3HG2 VAL 81 3HG2 VAL 81 -7.981 2.438 -14.021 651 HA PRO 82 HA PRO 82 -13.243 6.013 -14.186 652 1HB PRO 82 2HB PRO 82 -13.040 7.869 -12.168 653 2HB PRO 82 1HB PRO 82 -14.294 6.619 -12.227 654 1HG PRO 82 2HG PRO 82 -11.866 6.761 -10.500 655 2HG PRO 82 1HG PRO 82 -13.412 5.950 -10.199 656 1HD PRO 82 2HD PRO 82 -11.019 4.690 -11.026 657 2HD PRO 82 1HD PRO 82 -12.641 3.966 -11.053 658 HA PRO 83 HA PRO 83 -9.871 8.511 -15.538 659 1HB PRO 83 2HB PRO 83 -11.129 10.904 -16.038 660 2HB PRO 83 1HB PRO 83 -11.311 9.469 -17.063 661 1HG PRO 83 2HG PRO 83 -13.239 10.637 -15.108 662 2HG PRO 83 1HG PRO 83 -13.557 9.665 -16.555 663 1HD PRO 83 2HD PRO 83 -13.600 8.724 -13.887 664 2HD PRO 83 1HD PRO 83 -13.577 7.715 -15.349 665 H GLU 84 H GLU 84 -11.211 9.001 -12.551 666 HA GLU 84 HA GLU 84 -9.931 11.566 -11.920 667 1HB GLU 84 2HB GLU 84 -12.014 10.948 -10.779 668 2HB GLU 84 1HB GLU 84 -11.248 9.496 -10.135 669 1HG GLU 84 2HG GLU 84 -9.899 12.108 -9.624 670 2HG GLU 84 1HG GLU 84 -11.369 11.759 -8.715 671 H LEU 85 H LEU 85 -9.390 8.126 -11.140 672 HA LEU 85 HA LEU 85 -6.886 8.765 -9.741 673 1HB LEU 85 2HB LEU 85 -8.634 6.740 -9.427 674 2HB LEU 85 1HB LEU 85 -7.512 5.968 -10.548 675 HG LEU 85 HG LEU 85 -5.988 7.379 -8.575 676 1HD1 LEU 85 1HD1 LEU 85 -6.707 6.216 -6.546 677 2HD1 LEU 85 2HD1 LEU 85 -8.007 5.424 -7.434 678 3HD1 LEU 85 3HD1 LEU 85 -8.045 7.169 -7.186 679 1HD2 LEU 85 1HD2 LEU 85 -5.018 5.182 -8.222 680 2HD2 LEU 85 2HD2 LEU 85 -5.353 5.363 -9.944 681 3HD2 LEU 85 3HD2 LEU 85 -6.429 4.399 -8.934 682 H GLU 86 H GLU 86 -7.791 8.477 -12.953 683 HA GLU 86 HA GLU 86 -5.320 7.177 -13.882 684 1HB GLU 86 2HB GLU 86 -7.753 7.193 -14.963 685 2HB GLU 86 1HB GLU 86 -7.147 8.663 -15.728 686 1HG GLU 86 2HG GLU 86 -5.760 7.507 -17.095 687 2HG GLU 86 1HG GLU 86 -5.216 6.456 -15.787 688 H ALA 87 H ALA 87 -6.305 10.311 -12.988 689 HA ALA 87 HA ALA 87 -4.344 11.643 -14.765 690 1HB ALA 87 1HB ALA 87 -6.258 12.975 -14.591 691 2HB ALA 87 2HB ALA 87 -5.207 13.691 -13.369 692 3HB ALA 87 3HB ALA 87 -6.493 12.586 -12.887 693 H VAL 88 H VAL 88 -4.010 9.871 -12.104 694 HA VAL 88 HA VAL 88 -1.680 11.458 -11.193 695 HB VAL 88 HB VAL 88 -2.370 10.926 -8.781 696 1HG1 VAL 88 1HG1 VAL 88 -3.108 13.069 -8.658 697 2HG1 VAL 88 2HG1 VAL 88 -4.451 12.760 -9.760 698 3HG1 VAL 88 3HG1 VAL 88 -2.846 13.105 -10.402 699 1HG2 VAL 88 1HG2 VAL 88 -4.102 9.321 -9.085 700 2HG2 VAL 88 2HG2 VAL 88 -4.922 10.318 -10.286 701 3HG2 VAL 88 3HG2 VAL 88 -4.935 10.794 -8.588 702 H SER 89 H SER 89 -2.581 8.726 -12.490 703 HA SER 89 HA SER 89 -1.272 6.846 -10.621 704 1HB SER 89 2HB SER 89 -3.186 5.930 -11.713 705 2HB SER 89 1HB SER 89 -2.663 6.523 -13.287 706 HG SER 89 HG SER 89 -1.214 4.649 -11.722 707 H SER 90 H SER 90 0.931 7.322 -10.643 708 HA SER 90 HA SER 90 2.444 8.108 -12.914 709 1HB SER 90 2HB SER 90 3.083 6.914 -10.254 710 2HB SER 90 1HB SER 90 4.337 6.866 -11.489 711 HG SER 90 HG SER 90 4.340 9.046 -11.577 712 H GLU 91 H GLU 91 1.404 4.940 -11.811 713 HA GLU 91 HA GLU 91 2.200 3.802 -14.401 714 1HB GLU 91 2HB GLU 91 3.995 3.594 -12.279 715 2HB GLU 91 1HB GLU 91 3.138 2.052 -12.259 716 1HG GLU 91 2HG GLU 91 4.985 1.757 -13.751 717 2HG GLU 91 1HG GLU 91 3.557 1.932 -14.771 718 H VAL 92 H VAL 92 0.598 2.420 -15.003 719 HA VAL 92 HA VAL 92 -1.323 1.530 -12.917 720 HB VAL 92 HB VAL 92 -1.748 1.009 -15.834 721 1HG1 VAL 92 1HG1 VAL 92 -3.336 0.347 -13.964 722 2HG1 VAL 92 2HG1 VAL 92 -4.050 1.335 -15.239 723 3HG1 VAL 92 3HG1 VAL 92 -3.611 2.068 -13.696 724 1HG2 VAL 92 1HG2 VAL 92 -1.588 3.699 -14.516 725 2HG2 VAL 92 2HG2 VAL 92 -2.831 3.429 -15.737 726 3HG2 VAL 92 3HG2 VAL 92 -1.129 3.229 -16.152 727 H VAL 93 H VAL 93 -1.334 -0.571 -12.252 728 HA VAL 93 HA VAL 93 0.010 -2.585 -14.007 729 HB VAL 93 HB VAL 93 1.500 -2.075 -12.140 730 1HG1 VAL 93 1HG1 VAL 93 0.491 -1.308 -10.263 731 2HG1 VAL 93 2HG1 VAL 93 0.209 -3.003 -9.866 732 3HG1 VAL 93 3HG1 VAL 93 -1.043 -2.070 -10.686 733 1HG2 VAL 93 1HG2 VAL 93 1.981 -4.270 -11.743 734 2HG2 VAL 93 2HG2 VAL 93 0.663 -4.572 -12.876 735 3HG2 VAL 93 3HG2 VAL 93 0.360 -4.614 -11.140 736 H GLY 94 H GLY 94 -0.968 -4.624 -14.052 737 1HA GLY 94 2HA GLY 94 -3.645 -4.765 -12.724 738 2HA GLY 94 1HA GLY 94 -3.257 -5.559 -14.251 739 H TRP 95 H TRP 95 -3.689 -7.676 -13.534 740 HA TRP 95 HA TRP 95 -2.259 -8.659 -11.139 741 1HB TRP 95 2HB TRP 95 -4.177 -10.049 -13.035 742 2HB TRP 95 1HB TRP 95 -3.507 -10.763 -11.567 743 HD1 TRP 95 HD1 TRP 95 -6.043 -8.224 -12.787 744 HE1 TRP 95 HE1 TRP 95 -7.483 -7.440 -10.797 745 HE3 TRP 95 HE3 TRP 95 -3.480 -10.390 -8.935 746 HZ2 TRP 95 HZ2 TRP 95 -7.538 -7.696 -7.948 747 HZ3 TRP 95 HZ3 TRP 95 -4.247 -10.104 -6.595 748 HH2 TRP 95 HH2 TRP 95 -6.272 -8.760 -6.098 749 H ASN 96 H ASN 96 -1.063 -7.922 -13.918 750 HA ASN 96 HA ASN 96 -0.065 -10.354 -15.068 751 1HB ASN 96 2HB ASN 96 0.615 -7.457 -15.243 752 2HB ASN 96 1HB ASN 96 1.857 -8.602 -15.748 753 1HD2 ASN 96 1HD2 ASN 96 1.671 -8.296 -18.033 754 2HD2 ASN 96 2HD2 ASN 96 0.261 -8.668 -18.902 755 HA PRO 97 HA PRO 97 3.068 -11.414 -12.177 756 1HB PRO 97 2HB PRO 97 4.680 -12.883 -13.847 757 2HB PRO 97 1HB PRO 97 3.124 -13.463 -13.227 758 1HG PRO 97 2HG PRO 97 3.813 -12.506 -15.965 759 2HG PRO 97 1HG PRO 97 2.538 -13.623 -15.456 760 1HD PRO 97 2HD PRO 97 2.193 -10.888 -16.128 761 2HD PRO 97 1HD PRO 97 0.993 -11.936 -15.338 762 H HIS 98 H HIS 98 4.569 -10.646 -15.352 763 HA HIS 98 HA HIS 98 6.963 -9.588 -14.079 764 1HB HIS 98 2HB HIS 98 6.479 -10.626 -16.529 765 2HB HIS 98 1HB HIS 98 6.387 -8.907 -16.911 766 HD1 HIS 98 HD1 HIS 98 8.780 -11.242 -17.346 767 HD2 HIS 98 HD2 HIS 98 8.825 -7.796 -15.000 768 HE1 HIS 98 HE1 HIS 98 11.216 -10.649 -16.990 769 H CYS 99 H CYS 99 3.911 -8.248 -15.032 770 HA CYS 99 HA CYS 99 4.815 -5.526 -15.400 771 1HB CYS 99 2HB CYS 99 2.459 -6.836 -15.859 772 2HB CYS 99 1HB CYS 99 2.063 -5.918 -14.407 773 HG CYS 99 HG CYS 99 1.864 -4.613 -16.892 774 H ILE 100 H ILE 100 4.469 -7.483 -12.629 775 HA ILE 100 HA ILE 100 3.779 -5.362 -10.758 776 HB ILE 100 HB ILE 100 5.143 -7.997 -10.151 777 1HG1 ILE 100 2HG1 ILE 100 3.181 -8.564 -11.398 778 2HG1 ILE 100 1HG1 ILE 100 2.740 -8.746 -9.700 779 1HG2 ILE 100 1HG2 ILE 100 3.374 -7.373 -8.125 780 2HG2 ILE 100 2HG2 ILE 100 4.002 -5.791 -8.583 781 3HG2 ILE 100 3HG2 ILE 100 5.111 -7.069 -8.083 782 1HD1 ILE 100 1HD1 ILE 100 0.945 -7.533 -10.706 783 2HD1 ILE 100 2HD1 ILE 100 2.056 -6.459 -11.556 784 3HD1 ILE 100 3HD1 ILE 100 1.884 -6.342 -9.805 785 H ARG 101 H ARG 101 6.793 -6.865 -11.878 786 HA ARG 101 HA ARG 101 8.448 -5.349 -10.019 787 1HB ARG 101 2HB ARG 101 9.010 -7.600 -11.144 788 2HB ARG 101 1HB ARG 101 9.403 -6.644 -12.573 789 1HG ARG 101 2HG ARG 101 11.324 -5.850 -11.660 790 2HG ARG 101 1HG ARG 101 10.576 -5.605 -10.080 791 1HD ARG 101 2HD ARG 101 11.118 -7.713 -9.341 792 2HD ARG 101 1HD ARG 101 10.989 -8.424 -10.950 793 HE ARG 101 HE ARG 101 13.400 -7.272 -9.775 794 1HH1 ARG 101 1HH2 ARG 101 13.509 -9.655 -11.511 795 2HH1 ARG 101 2HH2 ARG 101 14.103 -9.020 -13.008 796 1HH2 ARG 101 2HH1 ARG 101 13.374 -5.726 -12.204 797 2HH2 ARG 101 1HH1 ARG 101 14.026 -6.795 -13.400 798 H ASP 102 H ASP 102 7.304 -4.919 -13.323 799 HA ASP 102 HA ASP 102 9.102 -2.896 -14.172 800 1HB ASP 102 2HB ASP 102 6.242 -3.550 -14.849 801 2HB ASP 102 1HB ASP 102 7.008 -2.112 -15.524 802 H ALA 103 H ALA 103 6.410 -2.764 -11.942 803 HA ALA 103 HA ALA 103 6.009 0.079 -11.999 804 1HB ALA 103 1HB ALA 103 5.445 -2.053 -9.935 805 2HB ALA 103 2HB ALA 103 4.297 -1.204 -10.970 806 3HB ALA 103 3HB ALA 103 5.079 -0.354 -9.638 807 H LEU 104 H LEU 104 7.537 -1.796 -9.356 808 HA LEU 104 HA LEU 104 8.781 0.385 -8.096 809 1HB LEU 104 2HB LEU 104 9.632 -2.513 -8.298 810 2HB LEU 104 1HB LEU 104 10.438 -1.345 -7.250 811 HG LEU 104 HG LEU 104 7.455 -1.835 -7.151 812 1HD1 LEU 104 1HD1 LEU 104 9.721 -3.362 -5.978 813 2HD1 LEU 104 2HD1 LEU 104 8.091 -3.900 -6.385 814 3HD1 LEU 104 3HD1 LEU 104 8.376 -3.000 -4.895 815 1HD2 LEU 104 1HD2 LEU 104 7.505 -0.552 -5.187 816 2HD2 LEU 104 2HD2 LEU 104 8.677 0.282 -6.208 817 3HD2 LEU 104 3HD2 LEU 104 9.232 -0.816 -4.944 818 H GLU 105 H GLU 105 9.881 -1.506 -10.878 819 HA GLU 105 HA GLU 105 12.552 -0.579 -11.009 820 1HB GLU 105 2HB GLU 105 11.461 -2.359 -12.465 821 2HB GLU 105 1HB GLU 105 10.776 -1.040 -13.415 822 1HG GLU 105 2HG GLU 105 13.399 -0.273 -13.254 823 2HG GLU 105 1HG GLU 105 13.554 -2.029 -13.305 824 H ASP 106 H ASP 106 9.795 0.711 -12.905 825 HA ASP 106 HA ASP 106 11.085 3.020 -13.859 826 1HB ASP 106 2HB ASP 106 8.521 1.994 -14.001 827 2HB ASP 106 1HB ASP 106 8.290 3.491 -13.096 828 H ALA 107 H ALA 107 10.020 2.284 -10.647 829 HA ALA 107 HA ALA 107 9.876 5.052 -9.742 830 1HB ALA 107 1HB ALA 107 9.695 2.355 -8.489 831 2HB ALA 107 2HB ALA 107 8.645 3.758 -8.294 832 3HB ALA 107 3HB ALA 107 10.189 3.686 -7.444 833 H LEU 108 H LEU 108 12.308 2.460 -9.633 834 HA LEU 108 HA LEU 108 14.215 3.709 -7.975 835 1HB LEU 108 2HB LEU 108 14.182 1.544 -9.908 836 2HB LEU 108 1HB LEU 108 15.692 2.451 -10.006 837 HG LEU 108 HG LEU 108 14.501 1.408 -7.422 838 1HD1 LEU 108 1HD1 LEU 108 16.351 0.206 -9.433 839 2HD1 LEU 108 2HD1 LEU 108 15.182 -0.579 -8.370 840 3HD1 LEU 108 3HD1 LEU 108 16.735 -0.041 -7.729 841 1HD2 LEU 108 1HD2 LEU 108 16.935 2.973 -8.191 842 2HD2 LEU 108 2HD2 LEU 108 17.082 1.809 -6.875 843 3HD2 LEU 108 3HD2 LEU 108 15.912 3.124 -6.762 844 H ASP 109 H ASP 109 13.880 3.973 -11.533 845 HA ASP 109 HA ASP 109 15.305 6.589 -11.330 846 1HB ASP 109 2HB ASP 109 16.321 4.249 -12.552 847 2HB ASP 109 1HB ASP 109 15.827 5.315 -13.867 848 H VAL 110 H VAL 110 12.852 7.109 -11.343 849 HA VAL 110 HA VAL 110 11.376 6.744 -13.799 850 HB VAL 110 HB VAL 110 10.245 7.186 -11.656 851 1HG1 VAL 110 1HG1 VAL 110 10.762 8.938 -10.310 852 2HG1 VAL 110 2HG1 VAL 110 10.845 10.067 -11.662 853 3HG1 VAL 110 3HG1 VAL 110 12.234 9.051 -11.275 854 1HG2 VAL 110 1HG2 VAL 110 8.562 8.527 -12.558 855 2HG2 VAL 110 2HG2 VAL 110 9.417 8.031 -14.018 856 3HG2 VAL 110 3HG2 VAL 110 9.709 9.626 -13.324 857 H ILE 111 HN ILE 111 11.780 7.781 -15.689 858 HA ILE 111 HA ILE 111 13.749 9.691 -16.156 859 HB ILE 111 HB ILE 111 12.323 8.441 -17.876 860 1HG1 ILE 111 2HG1 ILE 111 12.428 10.430 -19.495 861 2HG1 ILE 111 1HG1 ILE 111 12.998 11.379 -18.121 862 1HG2 ILE 111 1HG2 ILE 111 10.138 8.950 -18.066 863 2HG2 ILE 111 2HG2 ILE 111 10.526 10.651 -18.317 864 3HG2 ILE 111 3HG2 ILE 111 10.305 10.029 -16.682 865 1HD1 ILE 111 1HD1 ILE 111 14.519 9.012 -18.072 866 2HD1 ILE 111 2HD1 ILE 111 15.073 10.618 -18.547 867 3HD1 ILE 111 3HD1 ILE 111 14.463 9.498 -19.766 Start of MODEL 4 1 1H VAL 1 1H VAL 1 24.518 -5.809 3.757 2 2H VAL 1 2H VAL 1 25.771 -5.498 2.652 3 3H VAL 1 3H VAL 1 24.445 -6.455 2.190 4 HA VAL 1 HA VAL 1 24.304 -3.577 2.908 5 HB VAL 1 HB VAL 1 23.676 -3.478 0.390 6 1HG1 VAL 1 1HG1 VAL 1 26.279 -3.581 1.749 7 2HG1 VAL 1 2HG1 VAL 1 25.652 -2.388 0.611 8 3HG1 VAL 1 3HG1 VAL 1 26.382 -3.879 0.014 9 1HG2 VAL 1 1HG2 VAL 1 23.760 -6.137 0.459 10 2HG2 VAL 1 2HG2 VAL 1 25.474 -5.862 0.145 11 3HG2 VAL 1 3HG2 VAL 1 24.263 -5.255 -0.983 12 H THR 2 H THR 2 22.127 -2.927 1.465 13 HA THR 2 HA THR 2 20.003 -4.548 2.755 14 HB THR 2 HB THR 2 19.143 -2.197 1.234 15 HG1 THR 2 HG1 THR 2 20.172 -0.722 2.608 16 1HG2 THR 2 1HG2 THR 2 18.797 -3.428 3.927 17 2HG2 THR 2 2HG2 THR 2 17.578 -2.864 2.784 18 3HG2 THR 2 3HG2 THR 2 18.462 -1.703 3.775 19 H ALA 3 H ALA 3 17.963 -4.862 1.379 20 HA ALA 3 HA ALA 3 18.274 -4.912 -1.512 21 1HB ALA 3 1HB ALA 3 19.061 -7.242 0.063 22 2HB ALA 3 2HB ALA 3 19.303 -6.918 -1.654 23 3HB ALA 3 3HB ALA 3 17.787 -7.623 -1.095 24 H GLU 4 H GLU 4 16.288 -3.646 -0.433 25 HA GLU 4 HA GLU 4 13.929 -5.248 -1.076 26 1HB GLU 4 2HB GLU 4 12.818 -4.943 1.099 27 2HB GLU 4 1HB GLU 4 14.305 -5.872 1.292 28 1HG GLU 4 2HG GLU 4 15.402 -3.531 1.719 29 2HG GLU 4 1HG GLU 4 13.748 -3.021 2.062 30 H ILE 5 H ILE 5 11.922 -3.656 -0.205 31 HA ILE 5 HA ILE 5 12.659 -0.842 -0.791 32 HB ILE 5 HB ILE 5 10.407 -2.178 -2.300 33 1HG1 ILE 5 2HG1 ILE 5 13.285 -1.768 -3.177 34 2HG1 ILE 5 1HG1 ILE 5 12.486 -3.321 -2.927 35 1HG2 ILE 5 1HG2 ILE 5 10.135 -0.147 -3.277 36 2HG2 ILE 5 2HG2 ILE 5 11.872 0.116 -3.422 37 3HG2 ILE 5 3HG2 ILE 5 11.052 0.467 -1.901 38 1HD1 ILE 5 1HD1 ILE 5 11.522 -3.248 -4.966 39 2HD1 ILE 5 2HD1 ILE 5 12.577 -1.880 -5.320 40 3HD1 ILE 5 3HD1 ILE 5 10.948 -1.602 -4.704 41 H ARG 6 H ARG 6 11.240 0.631 0.175 42 HA ARG 6 HA ARG 6 9.392 -0.508 2.161 43 1HB ARG 6 2HB ARG 6 10.118 2.372 1.530 44 2HB ARG 6 1HB ARG 6 9.141 1.847 2.902 45 1HG ARG 6 2HG ARG 6 11.208 0.282 3.390 46 2HG ARG 6 1HG ARG 6 12.076 1.467 2.414 47 1HD ARG 6 2HD ARG 6 11.789 3.158 3.956 48 2HD ARG 6 1HD ARG 6 10.257 2.506 4.539 49 HE ARG 6 HE ARG 6 11.464 1.147 6.070 50 1HH1 ARG 6 2HH1 ARG 6 13.403 3.611 5.268 51 2HH1 ARG 6 1HH1 ARG 6 14.914 2.773 5.395 52 1HH2 ARG 6 1HH2 ARG 6 13.457 -0.368 5.578 53 2HH2 ARG 6 2HH2 ARG 6 14.944 0.520 5.571 54 H LEU 7 H LEU 7 7.463 -1.164 1.270 55 HA LEU 7 HA LEU 7 6.171 0.642 -0.721 56 1HB LEU 7 2HB LEU 7 5.953 -2.295 -0.122 57 2HB LEU 7 1HB LEU 7 4.613 -1.465 -0.912 58 HG LEU 7 HG LEU 7 6.357 -0.553 -2.560 59 1HD1 LEU 7 1HD1 LEU 7 8.118 -2.807 -2.288 60 2HD1 LEU 7 2HD1 LEU 7 8.066 -1.938 -0.754 61 3HD1 LEU 7 3HD1 LEU 7 8.518 -1.090 -2.233 62 1HD2 LEU 7 1HD2 LEU 7 4.808 -2.257 -3.273 63 2HD2 LEU 7 2HD2 LEU 7 5.683 -3.504 -2.387 64 3HD2 LEU 7 3HD2 LEU 7 6.409 -2.763 -3.812 65 H TYR 8 H TYR 8 3.708 0.721 -0.498 66 HA TYR 8 HA TYR 8 2.686 0.386 2.244 67 1HB TYR 8 2HB TYR 8 3.829 2.669 2.110 68 2HB TYR 8 1HB TYR 8 2.575 3.122 0.953 69 HD1 TYR 8 HD1 TYR 8 0.557 4.004 1.741 70 HD2 TYR 8 HD2 TYR 8 2.967 1.590 4.355 71 HE1 TYR 8 HE1 TYR 8 -1.005 4.470 3.611 72 HE2 TYR 8 HE2 TYR 8 1.405 2.056 6.226 73 HH TYR 8 HH TYR 8 -1.481 4.103 5.745 74 H ILE 9 H ILE 9 0.902 -0.796 1.671 75 HA ILE 9 HA ILE 9 -0.695 0.112 -0.674 76 HB ILE 9 HB ILE 9 -1.062 -2.451 0.888 77 1HG1 ILE 9 2HG1 ILE 9 0.628 -2.061 -1.599 78 2HG1 ILE 9 1HG1 ILE 9 1.299 -2.185 0.028 79 1HG2 ILE 9 1HG2 ILE 9 -1.629 -1.860 -2.022 80 2HG2 ILE 9 2HG2 ILE 9 -2.815 -1.548 -0.755 81 3HG2 ILE 9 3HG2 ILE 9 -2.243 -3.191 -1.042 82 1HD1 ILE 9 1HD1 ILE 9 0.888 -4.330 -1.601 83 2HD1 ILE 9 2HD1 ILE 9 -0.628 -4.308 -0.701 84 3HD1 ILE 9 3HD1 ILE 9 0.907 -4.427 0.159 85 H THR 10 H THR 10 -2.753 0.909 -0.393 86 HA THR 10 HA THR 10 -3.628 1.944 2.066 87 HB THR 10 HB THR 10 -5.478 0.972 -0.128 88 HG1 THR 10 HG1 THR 10 -4.914 2.695 -1.267 89 1HG2 THR 10 1HG2 THR 10 -5.842 3.522 1.367 90 2HG2 THR 10 2HG2 THR 10 -6.155 2.024 2.245 91 3HG2 THR 10 3HG2 THR 10 -7.051 2.384 0.770 92 H GLU 11 H GLU 11 -4.730 1.082 3.805 93 HA GLU 11 HA GLU 11 -4.731 -1.721 4.254 94 1HB GLU 11 2HB GLU 11 -5.211 0.494 5.802 95 2HB GLU 11 1HB GLU 11 -6.819 -0.222 5.695 96 1HG GLU 11 2HG GLU 11 -5.193 -2.422 6.121 97 2HG GLU 11 1HG GLU 11 -4.447 -1.179 7.126 98 H GLY 12 H GLY 12 -6.148 -3.306 3.672 99 1HA GLY 12 2HA GLY 12 -8.755 -2.441 2.482 100 2HA GLY 12 1HA GLY 12 -7.815 -3.786 1.834 101 H GLU 13 H GLU 13 -10.575 -3.705 3.022 102 HA GLU 13 HA GLU 13 -10.122 -5.644 5.256 103 1HB GLU 13 2HB GLU 13 -12.112 -3.483 4.818 104 2HB GLU 13 1HB GLU 13 -12.737 -4.978 5.517 105 1HG GLU 13 2HG GLU 13 -10.200 -3.840 6.627 106 2HG GLU 13 1HG GLU 13 -11.728 -3.078 7.071 107 H VAL 14 H VAL 14 -10.399 -5.884 2.159 108 HA VAL 14 HA VAL 14 -12.701 -7.782 2.121 109 HB VAL 14 HB VAL 14 -12.363 -7.665 -0.389 110 1HG1 VAL 14 1HG1 VAL 14 -13.986 -6.238 0.975 111 2HG1 VAL 14 2HG1 VAL 14 -13.530 -5.587 -0.598 112 3HG1 VAL 14 3HG1 VAL 14 -12.791 -4.946 0.869 113 1HG2 VAL 14 1HG2 VAL 14 -10.760 -5.178 0.069 114 2HG2 VAL 14 2HG2 VAL 14 -10.791 -6.247 -1.334 115 3HG2 VAL 14 3HG2 VAL 14 -9.920 -6.727 0.124 116 H GLU 15 H GLU 15 -12.042 -9.545 0.209 117 HA GLU 15 HA GLU 15 -9.767 -10.993 1.428 118 1HB GLU 15 2HB GLU 15 -12.014 -12.087 0.921 119 2HB GLU 15 1HB GLU 15 -11.594 -11.955 -0.787 120 1HG GLU 15 2HG GLU 15 -10.830 -14.107 -0.223 121 2HG GLU 15 1HG GLU 15 -9.372 -13.122 -0.094 122 H ASP 16 H ASP 16 -10.347 -8.941 -1.207 123 HA ASP 16 HA ASP 16 -8.516 -10.143 -3.107 124 1HB ASP 16 2HB ASP 16 -9.360 -7.238 -2.921 125 2HB ASP 16 1HB ASP 16 -8.746 -8.079 -4.346 126 H TYR 17 H TYR 17 -8.209 -7.834 -0.459 127 HA TYR 17 HA TYR 17 -5.530 -6.981 -1.147 128 1HB TYR 17 2HB TYR 17 -6.996 -5.658 0.345 129 2HB TYR 17 1HB TYR 17 -6.942 -6.955 1.540 130 HD1 TYR 17 HD1 TYR 17 -4.665 -7.658 2.474 131 HD2 TYR 17 HD2 TYR 17 -5.270 -4.042 0.231 132 HE1 TYR 17 HE1 TYR 17 -2.539 -6.745 3.371 133 HE2 TYR 17 HE2 TYR 17 -3.143 -3.131 1.128 134 HH TYR 17 HH TYR 17 -0.845 -4.483 2.133 135 H ARG 18 H ARG 18 -6.880 -9.672 0.659 136 HA ARG 18 HA ARG 18 -4.360 -10.438 1.894 137 1HB ARG 18 2HB ARG 18 -6.913 -12.012 1.430 138 2HB ARG 18 1HB ARG 18 -5.566 -12.546 2.434 139 1HG ARG 18 2HG ARG 18 -6.660 -9.833 2.993 140 2HG ARG 18 1HG ARG 18 -7.667 -11.207 3.450 141 1HD ARG 18 2HD ARG 18 -5.630 -12.178 4.612 142 2HD ARG 18 1HD ARG 18 -4.832 -10.628 4.340 143 HE ARG 18 HE ARG 18 -6.429 -11.040 6.532 144 1HH1 ARG 18 2HH1 ARG 18 -5.516 -8.400 4.935 145 2HH1 ARG 18 1HH1 ARG 18 -6.971 -7.481 5.126 146 1HH2 ARG 18 1HH2 ARG 18 -8.842 -10.177 6.244 147 2HH2 ARG 18 2HH2 ARG 18 -8.854 -8.488 5.867 148 H VAL 19 H VAL 19 -6.250 -11.651 -0.889 149 HA VAL 19 HA VAL 19 -4.389 -13.670 -1.665 150 HB VAL 19 HB VAL 19 -6.311 -12.049 -3.364 151 1HG1 VAL 19 1HG1 VAL 19 -4.244 -13.743 -4.195 152 2HG1 VAL 19 2HG1 VAL 19 -5.636 -13.244 -5.157 153 3HG1 VAL 19 3HG1 VAL 19 -5.689 -14.754 -4.248 154 1HG2 VAL 19 1HG2 VAL 19 -7.545 -14.357 -3.147 155 2HG2 VAL 19 2HG2 VAL 19 -7.644 -13.202 -1.818 156 3HG2 VAL 19 3HG2 VAL 19 -6.526 -14.563 -1.722 157 H PHE 20 H PHE 20 -4.639 -10.232 -2.540 158 HA PHE 20 HA PHE 20 -2.532 -10.247 -4.481 159 1HB PHE 20 2HB PHE 20 -4.301 -8.400 -3.898 160 2HB PHE 20 1HB PHE 20 -3.093 -7.865 -2.730 161 HD1 PHE 20 HD1 PHE 20 -2.151 -5.904 -3.637 162 HD2 PHE 20 HD2 PHE 20 -2.647 -9.372 -6.127 163 HE1 PHE 20 HE1 PHE 20 -0.894 -4.779 -5.456 164 HE2 PHE 20 HE2 PHE 20 -1.391 -8.246 -7.945 165 HZ PHE 20 HZ PHE 20 -0.513 -5.949 -7.610 166 H LEU 21 H LEU 21 -2.462 -9.119 -1.076 167 HA LEU 21 HA LEU 21 0.335 -8.749 -0.913 168 1HB LEU 21 2HB LEU 21 -1.753 -8.449 0.829 169 2HB LEU 21 1HB LEU 21 -0.934 -9.852 1.516 170 HG LEU 21 HG LEU 21 1.228 -8.549 1.362 171 1HD1 LEU 21 1HD1 LEU 21 -0.712 -6.292 0.773 172 2HD1 LEU 21 2HD1 LEU 21 0.525 -6.912 -0.320 173 3HD1 LEU 21 3HD1 LEU 21 0.995 -6.080 1.162 174 1HD2 LEU 21 1HD2 LEU 21 0.902 -7.715 3.483 175 2HD2 LEU 21 2HD2 LEU 21 -0.581 -8.659 3.350 176 3HD2 LEU 21 3HD2 LEU 21 -0.612 -6.921 3.050 177 H GLU 22 H GLU 22 -1.537 -11.670 -0.991 178 HA GLU 22 HA GLU 22 0.427 -13.401 0.235 179 1HB GLU 22 2HB GLU 22 -1.981 -13.824 -1.518 180 2HB GLU 22 1HB GLU 22 -0.887 -15.167 -1.185 181 1HG GLU 22 2HG GLU 22 -1.241 -14.977 1.183 182 2HG GLU 22 1HG GLU 22 -2.098 -13.446 0.992 183 H ARG 23 H ARG 23 -0.469 -12.882 -3.197 184 HA ARG 23 HA ARG 23 1.627 -14.431 -4.313 185 1HB ARG 23 2HB ARG 23 -0.446 -13.150 -5.396 186 2HB ARG 23 1HB ARG 23 0.782 -11.920 -5.698 187 1HG ARG 23 2HG ARG 23 2.216 -13.699 -6.740 188 2HG ARG 23 1HG ARG 23 0.864 -14.820 -6.575 189 1HD ARG 23 2HD ARG 23 -0.443 -12.834 -7.795 190 2HD ARG 23 1HD ARG 23 1.173 -12.478 -8.402 191 HE ARG 23 HE ARG 23 1.199 -14.673 -9.468 192 1HH1 ARG 23 2HH1 ARG 23 -1.184 -15.120 -7.247 193 2HH1 ARG 23 1HH1 ARG 23 -2.391 -15.700 -8.346 194 1HH2 ARG 23 1HH2 ARG 23 -0.594 -14.844 -11.186 195 2HH2 ARG 23 2HH2 ARG 23 -2.057 -15.542 -10.576 196 H LEU 24 H LEU 24 1.598 -11.119 -3.105 197 HA LEU 24 HA LEU 24 4.025 -10.186 -4.212 198 1HB LEU 24 2HB LEU 24 2.193 -9.311 -2.248 199 2HB LEU 24 1HB LEU 24 3.771 -9.334 -1.462 200 HG LEU 24 HG LEU 24 4.712 -8.023 -3.345 201 1HD1 LEU 24 1HD1 LEU 24 1.867 -8.255 -4.324 202 2HD1 LEU 24 2HD1 LEU 24 3.361 -8.591 -5.199 203 3HD1 LEU 24 3HD1 LEU 24 2.906 -6.926 -4.842 204 1HD2 LEU 24 1HD2 LEU 24 3.696 -6.938 -1.296 205 2HD2 LEU 24 2HD2 LEU 24 2.217 -6.712 -2.228 206 3HD2 LEU 24 3HD2 LEU 24 3.706 -5.913 -2.732 207 H GLU 25 H GLU 25 3.587 -11.659 -0.968 208 HA GLU 25 HA GLU 25 6.430 -11.989 -0.575 209 1HB GLU 25 2HB GLU 25 3.948 -12.706 0.864 210 2HB GLU 25 1HB GLU 25 5.313 -13.787 1.147 211 1HG GLU 25 2HG GLU 25 6.708 -11.971 1.873 212 2HG GLU 25 1HG GLU 25 5.524 -10.775 1.348 213 H GLN 26 H GLN 26 4.037 -13.810 -2.269 214 HA GLN 26 HA GLN 26 5.140 -16.429 -2.074 215 1HB GLN 26 2HB GLN 26 2.977 -16.184 -3.078 216 2HB GLN 26 1HB GLN 26 3.593 -15.050 -4.281 217 1HG GLN 26 2HG GLN 26 4.353 -16.711 -5.625 218 2HG GLN 26 1HG GLN 26 5.009 -17.625 -4.267 219 1HE2 GLN 26 1HE2 GLN 26 1.605 -16.588 -4.599 220 2HE2 GLN 26 2HE2 GLN 26 0.967 -18.159 -4.701 221 H SER 27 H SER 27 5.877 -13.738 -4.287 222 HA SER 27 HA SER 27 8.609 -14.369 -4.575 223 1HB SER 27 2HB SER 27 8.026 -16.439 -5.640 224 2HB SER 27 1HB SER 27 6.816 -15.652 -6.649 225 HG SER 27 HG SER 27 8.578 -15.824 -7.925 226 H GLY 28 H GLY 28 8.209 -11.990 -4.392 227 1HA GLY 28 2HA GLY 28 8.251 -10.771 -7.070 228 2HA GLY 28 1HA GLY 28 6.929 -10.242 -6.028 229 H LEU 29 H LEU 29 10.435 -10.856 -5.614 230 HA LEU 29 HA LEU 29 12.083 -9.538 -4.594 231 1HB LEU 29 2HB LEU 29 10.297 -7.688 -5.962 232 2HB LEU 29 1HB LEU 29 11.008 -6.956 -4.522 233 HG LEU 29 HG LEU 29 12.963 -8.514 -6.023 234 1HD1 LEU 29 1HD1 LEU 29 11.210 -6.609 -7.469 235 2HD1 LEU 29 2HD1 LEU 29 12.183 -7.941 -8.093 236 3HD1 LEU 29 3HD1 LEU 29 12.942 -6.393 -7.721 237 1HD2 LEU 29 1HD2 LEU 29 12.658 -5.794 -4.807 238 2HD2 LEU 29 2HD2 LEU 29 13.954 -6.046 -5.976 239 3HD2 LEU 29 3HD2 LEU 29 13.890 -7.022 -4.509 240 H GLU 30 H GLU 30 12.481 -8.278 -2.574 241 HA GLU 30 HA GLU 30 10.403 -8.943 -0.565 242 1HB GLU 30 2HB GLU 30 13.274 -8.879 -0.587 243 2HB GLU 30 1HB GLU 30 12.690 -7.775 0.658 244 1HG GLU 30 2HG GLU 30 11.066 -10.098 0.803 245 2HG GLU 30 1HG GLU 30 12.738 -10.651 0.694 246 H TRP 31 H TRP 31 9.545 -7.356 0.852 247 HA TRP 31 HA TRP 31 10.281 -4.528 0.408 248 1HB TRP 31 2HB TRP 31 7.949 -3.867 -0.048 249 2HB TRP 31 1HB TRP 31 8.546 -4.965 -1.293 250 HD1 TRP 31 HD1 TRP 31 7.457 -7.327 -1.485 251 HE1 TRP 31 HE1 TRP 31 5.396 -8.423 -0.389 252 HE3 TRP 31 HE3 TRP 31 6.522 -3.937 2.219 253 HZ2 TRP 31 HZ2 TRP 31 3.589 -7.925 1.775 254 HZ3 TRP 31 HZ3 TRP 31 4.628 -4.270 3.783 255 HH2 TRP 31 HH2 TRP 31 3.161 -6.259 3.564 256 H ARG 32 H ARG 32 8.812 -3.137 1.934 257 HA ARG 32 HA ARG 32 8.038 -4.651 4.370 258 1HB ARG 32 2HB ARG 32 10.422 -3.006 4.085 259 2HB ARG 32 1HB ARG 32 9.364 -2.388 5.352 260 1HG ARG 32 2HG ARG 32 10.349 -3.963 6.660 261 2HG ARG 32 1HG ARG 32 9.278 -5.091 5.829 262 1HD ARG 32 2HD ARG 32 10.968 -5.985 4.584 263 2HD ARG 32 1HD ARG 32 11.777 -4.430 4.386 264 HE ARG 32 HE ARG 32 12.973 -4.830 6.416 265 1HH1 ARG 32 1HH2 ARG 32 10.134 -6.524 6.857 266 2HH1 ARG 32 2HH2 ARG 32 10.859 -7.921 7.581 267 1HH2 ARG 32 2HH1 ARG 32 14.107 -6.920 6.886 268 2HH2 ARG 32 1HH1 ARG 32 13.110 -8.144 7.598 269 HA PRO 33 HA PRO 33 4.817 -1.651 4.339 270 1HB PRO 33 2HB PRO 33 3.936 -2.033 6.918 271 2HB PRO 33 1HB PRO 33 3.596 -3.156 5.590 272 1HG PRO 33 2HG PRO 33 5.519 -3.449 7.852 273 2HG PRO 33 1HG PRO 33 4.694 -4.702 6.912 274 1HD PRO 33 2HD PRO 33 7.387 -3.895 6.587 275 2HD PRO 33 1HD PRO 33 6.451 -4.889 5.450 276 H ALA 34 H ALA 34 5.725 0.429 4.281 277 HA ALA 34 HA ALA 34 6.923 1.490 6.792 278 1HB ALA 34 1HB ALA 34 7.362 3.479 5.070 279 2HB ALA 34 2HB ALA 34 7.143 2.184 3.893 280 3HB ALA 34 3HB ALA 34 8.409 2.059 5.115 281 H THR 35 H THR 35 6.427 4.169 6.565 282 HA THR 35 HA THR 35 3.580 4.293 7.260 283 HB THR 35 HB THR 35 4.493 6.888 7.325 284 HG1 THR 35 HG1 THR 35 6.643 5.289 8.200 285 1HG2 THR 35 1HG2 THR 35 4.632 4.669 9.375 286 2HG2 THR 35 2HG2 THR 35 3.368 5.883 9.179 287 3HG2 THR 35 3HG2 THR 35 4.960 6.356 9.773 288 HA PRO 36 HA PRO 36 2.109 6.040 3.515 289 1HB PRO 36 2HB PRO 36 0.326 7.915 4.445 290 2HB PRO 36 1HB PRO 36 0.027 6.169 4.497 291 1HG PRO 36 2HG PRO 36 0.752 8.016 6.724 292 2HG PRO 36 1HG PRO 36 -0.148 6.492 6.779 293 1HD PRO 36 2HD PRO 36 2.566 6.835 7.496 294 2HD PRO 36 1HD PRO 36 1.749 5.281 7.215 295 H GLU 37 H GLU 37 3.909 7.952 5.678 296 HA GLU 37 HA GLU 37 3.932 10.268 3.795 297 1HB GLU 37 2HB GLU 37 3.621 10.329 6.484 298 2HB GLU 37 1HB GLU 37 5.379 10.430 6.386 299 1HG GLU 37 2HG GLU 37 5.316 12.427 5.131 300 2HG GLU 37 1HG GLU 37 3.630 12.188 4.670 301 H ASP 38 H ASP 38 5.660 7.489 4.557 302 HA ASP 38 HA ASP 38 8.014 8.528 3.093 303 1HB ASP 38 2HB ASP 38 8.368 8.752 5.630 304 2HB ASP 38 1HB ASP 38 8.399 6.988 5.663 305 H ALA 39 H ALA 39 6.253 6.880 1.918 306 HA ALA 39 HA ALA 39 7.326 4.116 2.256 307 1HB ALA 39 1HB ALA 39 5.328 3.496 0.814 308 2HB ALA 39 2HB ALA 39 4.799 5.171 0.961 309 3HB ALA 39 3HB ALA 39 4.926 4.157 2.399 310 H ASP 40 H ASP 40 8.761 3.421 0.751 311 HA ASP 40 HA ASP 40 9.760 4.977 -1.360 312 1HB ASP 40 2HB ASP 40 10.610 2.714 -0.348 313 2HB ASP 40 1HB ASP 40 9.633 1.983 -1.621 314 H ALA 41 H ALA 41 6.927 2.892 -1.286 315 HA ALA 41 HA ALA 41 6.136 3.991 -3.919 316 1HB ALA 41 1HB ALA 41 6.006 1.983 -5.044 317 2HB ALA 41 2HB ALA 41 5.743 1.054 -3.568 318 3HB ALA 41 3HB ALA 41 7.364 1.612 -3.983 319 H VAL 42 H VAL 42 4.057 4.644 -3.738 320 HA VAL 42 HA VAL 42 2.404 3.528 -1.532 321 HB VAL 42 HB VAL 42 1.991 5.941 -3.327 322 1HG1 VAL 42 1HG1 VAL 42 0.343 6.288 -1.191 323 2HG1 VAL 42 2HG1 VAL 42 0.264 4.535 -1.373 324 3HG1 VAL 42 3HG1 VAL 42 -0.181 5.583 -2.720 325 1HG2 VAL 42 1HG2 VAL 42 3.834 5.843 -1.451 326 2HG2 VAL 42 2HG2 VAL 42 2.459 5.997 -0.357 327 3HG2 VAL 42 3HG2 VAL 42 2.777 7.250 -1.556 328 H ILE 43 H ILE 43 1.629 1.578 -2.384 329 HA ILE 43 HA ILE 43 0.414 1.599 -5.079 330 HB ILE 43 HB ILE 43 0.898 -0.615 -3.070 331 1HG1 ILE 43 2HG1 ILE 43 2.052 -0.275 -5.842 332 2HG1 ILE 43 1HG1 ILE 43 2.812 0.460 -4.430 333 1HG2 ILE 43 1HG2 ILE 43 -0.705 -0.499 -5.578 334 2HG2 ILE 43 2HG2 ILE 43 -0.912 -1.525 -4.159 335 3HG2 ILE 43 3HG2 ILE 43 0.323 -1.915 -5.356 336 1HD1 ILE 43 1HD1 ILE 43 2.203 -2.493 -4.745 337 2HD1 ILE 43 2HD1 ILE 43 2.996 -1.745 -3.360 338 3HD1 ILE 43 3HD1 ILE 43 3.793 -1.756 -4.933 339 H VAL 44 H VAL 44 -1.612 2.469 -5.088 340 HA VAL 44 HA VAL 44 -3.424 2.058 -2.799 341 HB VAL 44 HB VAL 44 -3.917 3.474 -5.435 342 1HG1 VAL 44 1HG1 VAL 44 -5.679 2.705 -3.395 343 2HG1 VAL 44 2HG1 VAL 44 -5.989 3.901 -4.653 344 3HG1 VAL 44 3HG1 VAL 44 -5.355 4.411 -3.088 345 1HG2 VAL 44 1HG2 VAL 44 -2.787 4.402 -2.792 346 2HG2 VAL 44 2HG2 VAL 44 -3.561 5.524 -3.911 347 3HG2 VAL 44 3HG2 VAL 44 -2.121 4.636 -4.408 348 H LEU 45 H LEU 45 -5.063 0.565 -2.781 349 HA LEU 45 HA LEU 45 -5.242 -1.297 -5.058 350 1HB LEU 45 2HB LEU 45 -5.664 -1.462 -2.242 351 2HB LEU 45 1HB LEU 45 -7.190 -1.858 -3.035 352 HG LEU 45 HG LEU 45 -5.746 -3.862 -2.722 353 1HD1 LEU 45 1HD1 LEU 45 -6.546 -2.845 -5.420 354 2HD1 LEU 45 2HD1 LEU 45 -7.171 -4.221 -4.512 355 3HD1 LEU 45 3HD1 LEU 45 -5.616 -4.342 -5.335 356 1HD2 LEU 45 1HD2 LEU 45 -3.848 -3.472 -4.781 357 2HD2 LEU 45 2HD2 LEU 45 -3.529 -3.623 -3.053 358 3HD2 LEU 45 3HD2 LEU 45 -3.770 -2.029 -3.769 359 H ALA 46 H ALA 46 -6.690 -0.945 -6.667 360 HA ALA 46 HA ALA 46 -8.711 1.111 -6.488 361 1HB ALA 46 1HB ALA 46 -7.508 0.150 -8.593 362 2HB ALA 46 2HB ALA 46 -9.209 0.596 -8.728 363 3HB ALA 46 3HB ALA 46 -8.753 -1.097 -8.536 364 H GLY 47 H GLY 47 -8.616 -2.169 -5.511 365 1HA GLY 47 2HA GLY 47 -11.384 -2.856 -5.861 366 2HA GLY 47 1HA GLY 47 -10.281 -3.621 -4.716 367 H LEU 48 H LEU 48 -9.722 -0.839 -3.573 368 HA LEU 48 HA LEU 48 -11.965 -0.898 -1.655 369 1HB LEU 48 2HB LEU 48 -9.238 0.351 -1.729 370 2HB LEU 48 1HB LEU 48 -10.456 1.024 -0.644 371 HG LEU 48 HG LEU 48 -10.813 -1.226 0.333 372 1HD1 LEU 48 1HD1 LEU 48 -10.166 -2.527 -1.671 373 2HD1 LEU 48 2HD1 LEU 48 -9.258 -3.046 -0.250 374 3HD1 LEU 48 3HD1 LEU 48 -8.492 -2.014 -1.457 375 1HD2 LEU 48 1HD2 LEU 48 -7.960 -1.210 0.714 376 2HD2 LEU 48 2HD2 LEU 48 -9.217 -0.651 1.816 377 3HD2 LEU 48 3HD2 LEU 48 -8.537 0.454 0.622 378 H TRP 49 H TRP 49 -11.866 0.319 -4.568 379 HA TRP 49 HA TRP 49 -12.393 3.141 -4.169 380 1HB TRP 49 2HB TRP 49 -11.638 2.061 -6.339 381 2HB TRP 49 1HB TRP 49 -13.275 1.430 -6.507 382 HD1 TRP 49 HD1 TRP 49 -15.231 3.509 -6.157 383 HE1 TRP 49 HE1 TRP 49 -15.222 5.806 -7.329 384 HE3 TRP 49 HE3 TRP 49 -10.299 3.821 -7.447 385 HZ2 TRP 49 HZ2 TRP 49 -13.367 7.545 -8.641 386 HZ3 TRP 49 HZ3 TRP 49 -9.437 5.807 -8.658 387 HH2 TRP 49 HH2 TRP 49 -10.965 7.666 -9.255 388 H GLY 50 H GLY 50 -14.353 0.223 -4.184 389 1HA GLY 50 2HA GLY 50 -16.818 1.879 -3.961 390 2HA GLY 50 1HA GLY 50 -16.786 0.150 -4.305 391 H THR 51 H THR 51 -14.766 1.509 -1.793 392 HA THR 51 HA THR 51 -16.665 0.493 0.271 393 HB THR 51 HB THR 51 -14.560 -0.386 1.475 394 HG1 THR 51 HG1 THR 51 -12.896 -0.943 -0.024 395 1HG2 THR 51 1HG2 THR 51 -14.709 -2.524 0.338 396 2HG2 THR 51 2HG2 THR 51 -15.365 -1.752 -1.107 397 3HG2 THR 51 3HG2 THR 51 -16.317 -1.798 0.378 398 H ARG 52 H ARG 52 -13.798 2.447 -0.471 399 HA ARG 52 HA ARG 52 -14.645 4.330 1.667 400 1HB ARG 52 2HB ARG 52 -11.715 3.920 1.413 401 2HB ARG 52 1HB ARG 52 -12.685 4.244 2.848 402 1HG ARG 52 2HG ARG 52 -13.423 1.945 2.955 403 2HG ARG 52 1HG ARG 52 -12.674 1.583 1.399 404 1HD ARG 52 2HD ARG 52 -10.632 1.301 2.333 405 2HD ARG 52 1HD ARG 52 -10.794 2.756 3.314 406 HE ARG 52 HE ARG 52 -11.689 0.036 4.108 407 1HH1 ARG 52 2HH1 ARG 52 -13.231 2.659 4.953 408 2HH1 ARG 52 1HH1 ARG 52 -12.610 2.838 6.561 409 1HH2 ARG 52 1HH2 ARG 52 -10.028 0.572 6.102 410 2HH2 ARG 52 2HH2 ARG 52 -10.796 1.658 7.210 411 H ARG 53 H ARG 53 -15.348 5.316 -0.494 412 HA ARG 53 HA ARG 53 -13.579 6.187 -2.493 413 1HB ARG 53 2HB ARG 53 -16.086 6.434 -2.497 414 2HB ARG 53 1HB ARG 53 -15.897 7.796 -1.392 415 1HG ARG 53 2HG ARG 53 -14.581 9.014 -3.026 416 2HG ARG 53 1HG ARG 53 -14.570 7.623 -4.111 417 1HD ARG 53 2HD ARG 53 -16.464 8.408 -5.038 418 2HD ARG 53 1HD ARG 53 -17.281 8.088 -3.508 419 HE ARG 53 HE ARG 53 -16.071 10.716 -4.257 420 1HH1 ARG 53 1HH2 ARG 53 -16.455 9.966 -1.294 421 2HH1 ARG 53 2HH2 ARG 53 -17.975 10.730 -0.967 422 1HH2 ARG 53 2HH1 ARG 53 -18.777 11.174 -4.310 423 2HH2 ARG 53 1HH1 ARG 53 -19.287 11.413 -2.672 424 H ASP 54 H ASP 54 -14.605 8.072 0.384 425 HA ASP 54 HA ASP 54 -12.844 10.249 -0.010 426 1HB ASP 54 2HB ASP 54 -14.719 10.059 1.707 427 2HB ASP 54 1HB ASP 54 -13.594 9.132 2.701 428 H GLU 55 H GLU 55 -12.287 7.126 1.584 429 HA GLU 55 HA GLU 55 -9.750 7.676 2.711 430 1HB GLU 55 2HB GLU 55 -11.318 5.492 2.668 431 2HB GLU 55 1HB GLU 55 -10.146 5.012 1.441 432 1HG GLU 55 2HG GLU 55 -8.611 6.132 3.505 433 2HG GLU 55 1HG GLU 55 -9.824 5.150 4.325 434 H ILE 56 H ILE 56 -10.541 6.434 -0.550 435 HA ILE 56 HA ILE 56 -7.838 6.306 -1.469 436 HB ILE 56 HB ILE 56 -10.262 6.931 -3.177 437 1HG1 ILE 56 2HG1 ILE 56 -10.747 5.001 -1.713 438 2HG1 ILE 56 1HG1 ILE 56 -10.529 4.477 -3.383 439 1HG2 ILE 56 1HG2 ILE 56 -7.640 5.502 -3.713 440 2HG2 ILE 56 2HG2 ILE 56 -8.100 7.094 -4.317 441 3HG2 ILE 56 3HG2 ILE 56 -8.960 5.657 -4.872 442 1HD1 ILE 56 1HD1 ILE 56 -9.319 3.094 -1.596 443 2HD1 ILE 56 2HD1 ILE 56 -8.254 4.485 -1.393 444 3HD1 ILE 56 3HD1 ILE 56 -8.336 3.656 -2.948 445 H LEU 57 H LEU 57 -10.173 8.933 -1.283 446 HA LEU 57 HA LEU 57 -8.595 10.794 -2.858 447 1HB LEU 57 2HB LEU 57 -11.182 10.764 -1.892 448 2HB LEU 57 1HB LEU 57 -10.404 11.963 -0.858 449 HG LEU 57 HG LEU 57 -9.553 13.129 -2.873 450 1HD1 LEU 57 1HD1 LEU 57 -9.547 12.106 -4.878 451 2HD1 LEU 57 2HD1 LEU 57 -11.297 11.902 -4.811 452 3HD1 LEU 57 3HD1 LEU 57 -10.240 10.676 -4.114 453 1HD2 LEU 57 1HD2 LEU 57 -11.901 13.497 -1.801 454 2HD2 LEU 57 2HD2 LEU 57 -12.513 12.707 -3.254 455 3HD2 LEU 57 3HD2 LEU 57 -11.586 14.201 -3.387 456 H GLY 58 H GLY 58 -8.542 9.679 0.417 457 1HA GLY 58 2HA GLY 58 -7.149 11.989 1.514 458 2HA GLY 58 1HA GLY 58 -7.334 10.422 2.305 459 H ALA 59 H ALA 59 -6.119 8.643 0.734 460 HA ALA 59 HA ALA 59 -3.340 9.074 1.136 461 1HB ALA 59 1HB ALA 59 -3.851 7.255 -1.070 462 2HB ALA 59 2HB ALA 59 -4.965 6.956 0.266 463 3HB ALA 59 3HB ALA 59 -3.223 6.901 0.540 464 H VAL 60 H VAL 60 -5.319 9.381 -1.820 465 HA VAL 60 HA VAL 60 -3.212 10.096 -3.586 466 HB VAL 60 HB VAL 60 -6.124 10.947 -3.563 467 1HG1 VAL 60 1HG1 VAL 60 -5.407 12.463 -5.102 468 2HG1 VAL 60 2HG1 VAL 60 -5.291 11.063 -6.169 469 3HG1 VAL 60 3HG1 VAL 60 -3.859 11.649 -5.321 470 1HG2 VAL 60 1HG2 VAL 60 -6.540 8.910 -4.437 471 2HG2 VAL 60 2HG2 VAL 60 -4.874 8.470 -4.066 472 3HG2 VAL 60 3HG2 VAL 60 -5.280 9.125 -5.652 473 H ASP 61 H ASP 61 -5.266 12.119 -1.490 474 HA ASP 61 HA ASP 61 -4.234 14.644 -2.268 475 1HB ASP 61 2HB ASP 61 -5.390 13.617 0.328 476 2HB ASP 61 1HB ASP 61 -4.865 15.291 0.148 477 H LEU 62 H LEU 62 -3.061 12.308 0.142 478 HA LEU 62 HA LEU 62 -0.920 13.982 1.108 479 1HB LEU 62 2HB LEU 62 -1.804 11.192 1.437 480 2HB LEU 62 1HB LEU 62 -0.056 11.403 1.536 481 HG LEU 62 HG LEU 62 -2.083 13.017 3.112 482 1HD1 LEU 62 1HD1 LEU 62 -1.016 10.381 3.534 483 2HD1 LEU 62 2HD1 LEU 62 -2.119 11.296 4.561 484 3HD1 LEU 62 3HD1 LEU 62 -0.376 11.464 4.770 485 1HD2 LEU 62 1HD2 LEU 62 -0.161 14.361 2.894 486 2HD2 LEU 62 2HD2 LEU 62 0.926 12.973 2.930 487 3HD2 LEU 62 3HD2 LEU 62 0.127 13.506 4.409 488 H ALA 63 H ALA 63 -1.282 11.823 -1.627 489 HA ALA 63 HA ALA 63 1.572 11.660 -2.193 490 1HB ALA 63 1HB ALA 63 0.975 10.263 -3.921 491 2HB ALA 63 2HB ALA 63 -0.429 11.236 -4.360 492 3HB ALA 63 3HB ALA 63 -0.509 10.149 -2.974 493 H ARG 64 H ARG 64 -1.057 13.819 -3.031 494 HA ARG 64 HA ARG 64 0.353 15.100 -5.230 495 1HB ARG 64 2HB ARG 64 -1.984 16.105 -3.574 496 2HB ARG 64 1HB ARG 64 -1.448 16.768 -5.118 497 1HG ARG 64 2HG ARG 64 -1.757 14.316 -5.984 498 2HG ARG 64 1HG ARG 64 -2.779 14.131 -4.558 499 1HD ARG 64 2HD ARG 64 -4.055 14.833 -6.598 500 2HD ARG 64 1HD ARG 64 -4.190 15.981 -5.265 501 HE ARG 64 HE ARG 64 -2.783 17.510 -6.489 502 1HH1 ARG 64 2HH1 ARG 64 -4.651 16.152 -8.607 503 2HH1 ARG 64 1HH1 ARG 64 -3.522 15.961 -9.907 504 1HH2 ARG 64 1HH2 ARG 64 -0.737 16.552 -7.930 505 2HH2 ARG 64 2HH2 ARG 64 -1.306 16.189 -9.524 506 H LYS 65 H LYS 65 0.997 15.054 -1.995 507 HA LYS 65 HA LYS 65 1.622 17.904 -1.664 508 1HB LYS 65 2HB LYS 65 0.890 16.391 0.232 509 2HB LYS 65 1HB LYS 65 2.457 15.590 0.104 510 1HG LYS 65 2HG LYS 65 3.177 17.171 1.561 511 2HG LYS 65 1HG LYS 65 3.169 18.251 0.166 512 1HD LYS 65 2HD LYS 65 0.683 18.657 0.724 513 2HD LYS 65 1HD LYS 65 1.046 17.919 2.285 514 1HE LYS 65 2HE LYS 65 3.108 19.813 1.704 515 2HE LYS 65 1HE LYS 65 1.552 20.603 1.451 516 1HZ LYS 65 1HZ LYS 65 2.684 20.386 3.829 517 2HZ LYS 65 2HZ LYS 65 1.793 18.940 3.826 518 3HZ LYS 65 3HZ LYS 65 1.002 20.430 3.616 519 H SER 66 H SER 66 3.290 14.936 -2.532 520 HA SER 66 HA SER 66 5.714 16.576 -3.100 521 1HB SER 66 2HB SER 66 6.911 14.285 -2.404 522 2HB SER 66 1HB SER 66 6.563 15.544 -1.222 523 HG SER 66 HG SER 66 4.599 13.633 -1.816 524 H SER 67 H SER 67 3.418 15.224 -4.643 525 HA SER 67 HA SER 67 3.169 13.972 -6.617 526 1HB SER 67 2HB SER 67 5.099 15.853 -7.015 527 2HB SER 67 1HB SER 67 5.998 14.386 -7.388 528 HG SER 67 HG SER 67 4.455 15.607 -9.005 529 H LYS 68 H LYS 68 4.400 12.650 -4.153 530 HA LYS 68 HA LYS 68 6.412 10.819 -4.745 531 1HB LYS 68 2HB LYS 68 4.051 10.822 -2.952 532 2HB LYS 68 1HB LYS 68 4.732 9.234 -3.311 533 1HG LYS 68 2HG LYS 68 6.866 9.835 -2.458 534 2HG LYS 68 1HG LYS 68 6.470 11.554 -2.462 535 1HD LYS 68 2HD LYS 68 6.290 10.879 -0.187 536 2HD LYS 68 1HD LYS 68 4.629 10.978 -0.773 537 1HE LYS 68 2HE LYS 68 4.980 8.447 -1.374 538 2HE LYS 68 1HE LYS 68 6.288 8.540 -0.194 539 1HZ LYS 68 1HZ LYS 68 4.122 9.823 0.944 540 2HZ LYS 68 2HZ LYS 68 4.766 8.312 1.378 541 3HZ LYS 68 3HZ LYS 68 3.497 8.406 0.252 542 HA PRO 69 HA PRO 69 4.836 8.093 -7.794 543 1HB PRO 69 2HB PRO 69 5.983 5.721 -7.003 544 2HB PRO 69 1HB PRO 69 6.886 7.041 -7.766 545 1HG PRO 69 2HG PRO 69 6.861 6.190 -4.908 546 2HG PRO 69 1HG PRO 69 8.135 7.014 -5.821 547 1HD PRO 69 2HD PRO 69 6.349 8.241 -4.003 548 2HD PRO 69 1HD PRO 69 7.389 9.084 -5.171 549 H ILE 70 H ILE 70 2.675 7.563 -7.779 550 HA ILE 70 HA ILE 70 1.699 5.760 -5.600 551 HB ILE 70 HB ILE 70 -0.113 7.427 -7.336 552 1HG1 ILE 70 2HG1 ILE 70 0.670 8.505 -4.679 553 2HG1 ILE 70 1HG1 ILE 70 1.868 8.674 -5.961 554 1HG2 ILE 70 1HG2 ILE 70 -1.689 7.043 -5.658 555 2HG2 ILE 70 2HG2 ILE 70 -0.456 6.778 -4.424 556 3HG2 ILE 70 3HG2 ILE 70 -0.773 5.537 -5.635 557 1HD1 ILE 70 1HD1 ILE 70 0.137 9.709 -7.413 558 2HD1 ILE 70 2HD1 ILE 70 0.404 10.636 -5.937 559 3HD1 ILE 70 3HD1 ILE 70 -1.015 9.600 -6.082 560 H ILE 71 H ILE 71 1.718 3.705 -6.427 561 HA ILE 71 HA ILE 71 0.987 3.300 -9.279 562 HB ILE 71 HB ILE 71 1.926 1.238 -7.264 563 1HG1 ILE 71 2HG1 ILE 71 3.516 2.926 -9.225 564 2HG1 ILE 71 1HG1 ILE 71 3.616 3.002 -7.467 565 1HG2 ILE 71 1HG2 ILE 71 1.789 -0.231 -8.973 566 2HG2 ILE 71 2HG2 ILE 71 2.603 0.878 -10.078 567 3HG2 ILE 71 3HG2 ILE 71 0.859 0.994 -9.835 568 1HD1 ILE 71 1HD1 ILE 71 4.251 0.544 -9.126 569 2HD1 ILE 71 2HD1 ILE 71 4.430 0.699 -7.378 570 3HD1 ILE 71 3HD1 ILE 71 5.456 1.646 -8.457 571 H THR 72 H THR 72 -1.067 2.691 -9.790 572 HA THR 72 HA THR 72 -2.899 1.933 -7.597 573 HB THR 72 HB THR 72 -3.344 2.531 -10.534 574 HG1 THR 72 HG1 THR 72 -3.450 4.451 -9.726 575 1HG2 THR 72 1HG2 THR 72 -4.932 0.809 -9.759 576 2HG2 THR 72 2HG2 THR 72 -5.749 2.348 -10.032 577 3HG2 THR 72 3HG2 THR 72 -5.368 1.830 -8.390 578 H VAL 73 H VAL 73 -4.219 -0.023 -7.753 579 HA VAL 73 HA VAL 73 -2.942 -2.148 -9.428 580 HB VAL 73 HB VAL 73 -4.213 -2.662 -6.739 581 1HG1 VAL 73 1HG1 VAL 73 -3.577 -4.422 -8.622 582 2HG1 VAL 73 2HG1 VAL 73 -3.263 -4.771 -6.922 583 3HG1 VAL 73 3HG1 VAL 73 -1.956 -4.206 -7.962 584 1HG2 VAL 73 1HG2 VAL 73 -1.572 -2.809 -6.199 585 2HG2 VAL 73 2HG2 VAL 73 -2.512 -1.339 -5.937 586 3HG2 VAL 73 3HG2 VAL 73 -1.545 -1.520 -7.402 587 H ARG 74 H ARG 74 -4.361 -2.984 -10.861 588 HA ARG 74 HA ARG 74 -7.065 -2.295 -11.104 589 1HB ARG 74 2HB ARG 74 -5.838 -4.960 -11.890 590 2HB ARG 74 1HB ARG 74 -7.296 -4.236 -12.572 591 1HG ARG 74 2HG ARG 74 -5.980 -2.346 -13.427 592 2HG ARG 74 1HG ARG 74 -4.517 -3.026 -12.713 593 1HD ARG 74 2HD ARG 74 -5.358 -5.164 -14.137 594 2HD ARG 74 1HD ARG 74 -6.003 -3.868 -15.143 595 HE ARG 74 HE ARG 74 -3.503 -2.975 -14.883 596 1HH1 ARG 74 2HH1 ARG 74 -4.834 -5.590 -16.459 597 2HH1 ARG 74 1HH1 ARG 74 -3.342 -6.426 -16.732 598 1HH2 ARG 74 1HH2 ARG 74 -1.480 -4.312 -14.709 599 2HH2 ARG 74 2HH2 ARG 74 -1.443 -5.702 -15.741 600 HA PRO 75 HA PRO 75 -9.065 -4.556 -7.907 601 1HB PRO 75 2HB PRO 75 -11.592 -4.621 -8.994 602 2HB PRO 75 1HB PRO 75 -10.881 -3.175 -8.254 603 1HG PRO 75 2HG PRO 75 -11.300 -3.794 -11.143 604 2HG PRO 75 1HG PRO 75 -11.214 -2.221 -10.334 605 1HD PRO 75 2HD PRO 75 -9.138 -3.423 -11.833 606 2HD PRO 75 1HD PRO 75 -8.963 -2.034 -10.737 607 H TYR 76 H TYR 76 -10.711 -6.534 -7.782 608 HA TYR 76 HA TYR 76 -9.509 -8.843 -8.765 609 1HB TYR 76 2HB TYR 76 -11.922 -8.210 -7.408 610 2HB TYR 76 1HB TYR 76 -12.356 -9.262 -8.757 611 HD1 TYR 76 HD1 TYR 76 -12.436 -11.514 -8.193 612 HD2 TYR 76 HD2 TYR 76 -9.464 -9.005 -6.365 613 HE1 TYR 76 HE1 TYR 76 -11.544 -13.472 -6.959 614 HE2 TYR 76 HE2 TYR 76 -8.571 -10.963 -5.131 615 HH TYR 76 HH TYR 76 -8.769 -13.792 -5.782 616 H GLY 77 H GLY 77 -11.597 -6.618 -10.458 617 1HA GLY 77 2HA GLY 77 -11.084 -6.848 -13.001 618 2HA GLY 77 1HA GLY 77 -11.714 -8.481 -12.786 619 H LEU 78 H LEU 78 -12.569 -5.059 -12.731 620 HA LEU 78 HA LEU 78 -15.412 -5.879 -13.127 621 1HB LEU 78 2HB LEU 78 -14.399 -3.620 -11.372 622 2HB LEU 78 1HB LEU 78 -16.095 -3.901 -11.768 623 HG LEU 78 HG LEU 78 -14.719 -6.297 -10.773 624 1HD1 LEU 78 1HD1 LEU 78 -13.533 -4.669 -9.395 625 2HD1 LEU 78 2HD1 LEU 78 -14.731 -5.503 -8.405 626 3HD1 LEU 78 3HD1 LEU 78 -15.051 -3.869 -8.987 627 1HD2 LEU 78 1HD2 LEU 78 -17.313 -5.300 -11.012 628 2HD2 LEU 78 2HD2 LEU 78 -17.001 -5.254 -9.276 629 3HD2 LEU 78 3HD2 LEU 78 -16.844 -6.772 -10.160 630 H GLU 79 H GLU 79 -14.024 -2.624 -12.912 631 HA GLU 79 HA GLU 79 -14.337 -2.348 -15.861 632 1HB GLU 79 2HB GLU 79 -15.907 -1.034 -13.769 633 2HB GLU 79 1HB GLU 79 -15.133 0.110 -14.865 634 1HG GLU 79 2HG GLU 79 -16.281 -0.682 -16.726 635 2HG GLU 79 1HG GLU 79 -16.523 -2.280 -16.021 636 H ASN 80 H ASN 80 -12.154 -2.427 -13.690 637 HA ASN 80 HA ASN 80 -10.040 -1.443 -13.415 638 1HB ASN 80 2HB ASN 80 -10.851 -0.903 -16.140 639 2HB ASN 80 1HB ASN 80 -9.911 0.448 -15.505 640 1HD2 ASN 80 1HD2 ASN 80 -7.911 -0.495 -14.062 641 2HD2 ASN 80 2HD2 ASN 80 -7.014 -1.702 -14.849 642 H VAL 81 H VAL 81 -9.037 0.987 -13.470 643 HA VAL 81 HA VAL 81 -10.817 2.529 -11.703 644 HB VAL 81 HB VAL 81 -8.830 3.968 -11.373 645 1HG1 VAL 81 1HG1 VAL 81 -7.757 2.449 -10.014 646 2HG1 VAL 81 2HG1 VAL 81 -7.702 1.209 -11.267 647 3HG1 VAL 81 3HG1 VAL 81 -9.200 1.505 -10.385 648 1HG2 VAL 81 1HG2 VAL 81 -6.706 3.341 -12.491 649 2HG2 VAL 81 2HG2 VAL 81 -7.931 3.833 -13.661 650 3HG2 VAL 81 3HG2 VAL 81 -7.570 2.123 -13.428 651 HA PRO 82 HA PRO 82 -12.043 5.461 -14.734 652 1HB PRO 82 2HB PRO 82 -12.303 7.696 -13.152 653 2HB PRO 82 1HB PRO 82 -13.454 6.350 -13.143 654 1HG PRO 82 2HG PRO 82 -11.387 7.064 -11.118 655 2HG PRO 82 1HG PRO 82 -12.905 6.176 -10.907 656 1HD PRO 82 2HD PRO 82 -10.321 5.031 -11.059 657 2HD PRO 82 1HD PRO 82 -11.859 4.153 -11.172 658 HA PRO 83 HA PRO 83 -8.674 7.984 -16.042 659 1HB PRO 83 2HB PRO 83 -9.947 10.200 -17.056 660 2HB PRO 83 1HB PRO 83 -9.936 8.621 -17.861 661 1HG PRO 83 2HG PRO 83 -12.148 9.949 -16.365 662 2HG PRO 83 1HG PRO 83 -12.235 8.756 -17.672 663 1HD PRO 83 2HD PRO 83 -12.594 8.219 -14.919 664 2HD PRO 83 1HD PRO 83 -12.334 7.008 -16.192 665 H GLU 84 H GLU 84 -11.034 9.663 -13.990 666 HA GLU 84 HA GLU 84 -9.508 11.983 -13.397 667 1HB GLU 84 2HB GLU 84 -11.910 11.583 -12.734 668 2HB GLU 84 1HB GLU 84 -11.322 10.504 -11.468 669 1HG GLU 84 2HG GLU 84 -10.835 12.246 -10.130 670 2HG GLU 84 1HG GLU 84 -9.870 13.004 -11.398 671 H LEU 85 H LEU 85 -9.356 8.705 -12.096 672 HA LEU 85 HA LEU 85 -7.265 9.528 -10.165 673 1HB LEU 85 2HB LEU 85 -8.920 7.942 -9.341 674 2HB LEU 85 1HB LEU 85 -8.598 6.854 -10.692 675 HG LEU 85 HG LEU 85 -6.152 7.563 -9.277 676 1HD1 LEU 85 1HD1 LEU 85 -8.204 7.492 -7.527 677 2HD1 LEU 85 2HD1 LEU 85 -6.596 6.883 -7.132 678 3HD1 LEU 85 3HD1 LEU 85 -7.863 5.765 -7.638 679 1HD2 LEU 85 1HD2 LEU 85 -5.785 5.191 -9.414 680 2HD2 LEU 85 2HD2 LEU 85 -6.591 5.662 -10.909 681 3HD2 LEU 85 3HD2 LEU 85 -7.507 4.876 -9.624 682 H GLU 86 H GLU 86 -7.607 8.153 -13.313 683 HA GLU 86 HA GLU 86 -5.128 6.697 -13.425 684 1HB GLU 86 2HB GLU 86 -6.956 6.426 -15.093 685 2HB GLU 86 1HB GLU 86 -6.634 8.058 -15.682 686 1HG GLU 86 2HG GLU 86 -4.210 6.426 -15.526 687 2HG GLU 86 1HG GLU 86 -5.420 5.738 -16.610 688 H ALA 87 H ALA 87 -6.003 10.080 -13.980 689 HA ALA 87 HA ALA 87 -3.450 10.861 -15.079 690 1HB ALA 87 1HB ALA 87 -5.764 12.125 -15.041 691 2HB ALA 87 2HB ALA 87 -4.261 13.047 -14.987 692 3HB ALA 87 3HB ALA 87 -5.170 12.754 -13.504 693 H VAL 88 H VAL 88 -4.414 9.926 -11.963 694 HA VAL 88 HA VAL 88 -2.092 11.359 -10.741 695 HB VAL 88 HB VAL 88 -4.247 9.995 -9.145 696 1HG1 VAL 88 1HG1 VAL 88 -2.192 12.147 -8.756 697 2HG1 VAL 88 2HG1 VAL 88 -2.558 10.758 -7.734 698 3HG1 VAL 88 3HG1 VAL 88 -3.640 12.150 -7.750 699 1HG2 VAL 88 1HG2 VAL 88 -4.382 12.732 -10.445 700 2HG2 VAL 88 2HG2 VAL 88 -5.432 12.225 -9.122 701 3HG2 VAL 88 3HG2 VAL 88 -5.504 11.391 -10.675 702 H SER 89 H SER 89 -2.676 8.531 -12.167 703 HA SER 89 HA SER 89 -1.305 6.881 -10.094 704 1HB SER 89 2HB SER 89 -3.364 5.885 -10.935 705 2HB SER 89 1HB SER 89 -2.825 6.091 -12.598 706 HG SER 89 HG SER 89 -1.355 4.619 -10.676 707 H SER 90 H SER 90 0.881 7.090 -10.363 708 HA SER 90 HA SER 90 2.232 7.826 -12.728 709 1HB SER 90 2HB SER 90 2.978 7.167 -10.132 710 2HB SER 90 1HB SER 90 3.747 5.918 -11.108 711 HG SER 90 HG SER 90 4.686 8.249 -10.741 712 H GLU 91 H GLU 91 1.461 4.568 -11.495 713 HA GLU 91 HA GLU 91 1.652 3.559 -14.272 714 1HB GLU 91 2HB GLU 91 3.286 2.515 -11.946 715 2HB GLU 91 1HB GLU 91 2.997 1.576 -13.412 716 1HG GLU 91 2HG GLU 91 4.216 4.352 -13.393 717 2HG GLU 91 1HG GLU 91 5.157 2.861 -13.458 718 H VAL 92 H VAL 92 0.516 1.525 -14.541 719 HA VAL 92 HA VAL 92 -1.332 0.925 -12.268 720 HB VAL 92 HB VAL 92 -2.290 1.985 -14.420 721 1HG1 VAL 92 1HG1 VAL 92 -2.658 0.498 -16.294 722 2HG1 VAL 92 2HG1 VAL 92 -1.934 -0.853 -15.423 723 3HG1 VAL 92 3HG1 VAL 92 -0.930 0.502 -15.940 724 1HG2 VAL 92 1HG2 VAL 92 -3.273 0.041 -12.621 725 2HG2 VAL 92 2HG2 VAL 92 -3.822 -0.458 -14.221 726 3HG2 VAL 92 3HG2 VAL 92 -4.219 1.149 -13.615 727 H VAL 93 H VAL 93 -0.934 -1.048 -11.410 728 HA VAL 93 HA VAL 93 0.323 -3.121 -13.157 729 HB VAL 93 HB VAL 93 1.532 -2.356 -11.050 730 1HG1 VAL 93 1HG1 VAL 93 -0.761 -2.312 -9.799 731 2HG1 VAL 93 2HG1 VAL 93 0.667 -2.871 -8.929 732 3HG1 VAL 93 3HG1 VAL 93 -0.485 -4.040 -9.578 733 1HG2 VAL 93 1HG2 VAL 93 2.148 -4.644 -10.406 734 2HG2 VAL 93 2HG2 VAL 93 1.953 -4.546 -12.157 735 3HG2 VAL 93 3HG2 VAL 93 0.685 -5.270 -11.167 736 H GLY 94 H GLY 94 -0.407 -5.396 -12.685 737 1HA GLY 94 2HA GLY 94 -3.267 -5.452 -11.802 738 2HA GLY 94 1HA GLY 94 -2.716 -6.347 -13.219 739 H TRP 95 H TRP 95 -3.480 -8.308 -12.114 740 HA TRP 95 HA TRP 95 -2.012 -9.117 -9.683 741 1HB TRP 95 2HB TRP 95 -4.037 -10.651 -11.344 742 2HB TRP 95 1HB TRP 95 -3.433 -11.117 -9.755 743 HD1 TRP 95 HD1 TRP 95 -5.161 -8.035 -11.344 744 HE1 TRP 95 HE1 TRP 95 -6.826 -7.077 -9.625 745 HE3 TRP 95 HE3 TRP 95 -4.306 -11.204 -7.430 746 HZ2 TRP 95 HZ2 TRP 95 -7.681 -7.587 -6.943 747 HZ3 TRP 95 HZ3 TRP 95 -5.559 -10.947 -5.305 748 HH2 TRP 95 HH2 TRP 95 -7.244 -9.142 -5.058 749 H ASN 96 H ASN 96 -0.399 -8.691 -12.011 750 HA ASN 96 HA ASN 96 0.298 -11.460 -12.862 751 1HB ASN 96 2HB ASN 96 0.607 -8.757 -14.054 752 2HB ASN 96 1HB ASN 96 1.931 -9.888 -14.340 753 1HD2 ASN 96 1HD2 ASN 96 -1.554 -10.672 -13.992 754 2HD2 ASN 96 2HD2 ASN 96 -1.720 -11.327 -15.549 755 HA PRO 97 HA PRO 97 3.880 -11.371 -10.320 756 1HB PRO 97 2HB PRO 97 5.359 -13.261 -11.661 757 2HB PRO 97 1HB PRO 97 3.974 -13.655 -10.628 758 1HG PRO 97 2HG PRO 97 4.154 -13.652 -13.605 759 2HG PRO 97 1HG PRO 97 3.086 -14.588 -12.547 760 1HD PRO 97 2HD PRO 97 2.365 -12.269 -14.002 761 2HD PRO 97 1HD PRO 97 1.418 -13.023 -12.703 762 H HIS 98 H HIS 98 4.559 -11.409 -13.840 763 HA HIS 98 HA HIS 98 7.152 -10.152 -13.548 764 1HB HIS 98 2HB HIS 98 5.943 -11.512 -15.565 765 2HB HIS 98 1HB HIS 98 5.707 -9.854 -16.120 766 HD1 HIS 98 HD1 HIS 98 7.480 -10.042 -17.997 767 HD2 HIS 98 HD2 HIS 98 9.002 -10.793 -14.190 768 HE1 HIS 98 HE1 HIS 98 10.002 -10.050 -18.223 769 H CYS 99 H CYS 99 3.868 -8.988 -13.916 770 HA CYS 99 HA CYS 99 4.497 -6.318 -14.759 771 1HB CYS 99 2HB CYS 99 2.138 -7.475 -13.254 772 2HB CYS 99 1HB CYS 99 2.220 -5.786 -13.758 773 HG CYS 99 HG CYS 99 2.522 -6.760 -16.273 774 H ILE 100 H ILE 100 3.721 -7.595 -11.500 775 HA ILE 100 HA ILE 100 4.106 -5.284 -9.996 776 HB ILE 100 HB ILE 100 5.032 -8.086 -9.290 777 1HG1 ILE 100 2HG1 ILE 100 2.608 -7.811 -9.942 778 2HG1 ILE 100 1HG1 ILE 100 2.845 -8.342 -8.277 779 1HG2 ILE 100 1HG2 ILE 100 5.445 -5.648 -7.940 780 2HG2 ILE 100 2HG2 ILE 100 5.649 -7.272 -7.282 781 3HG2 ILE 100 3HG2 ILE 100 4.109 -6.432 -7.097 782 1HD1 ILE 100 1HD1 ILE 100 2.832 -5.421 -8.571 783 2HD1 ILE 100 2HD1 ILE 100 1.957 -6.440 -7.427 784 3HD1 ILE 100 3HD1 ILE 100 1.313 -6.179 -9.048 785 H ARG 101 H ARG 101 6.489 -7.158 -11.704 786 HA ARG 101 HA ARG 101 8.793 -6.112 -10.287 787 1HB ARG 101 2HB ARG 101 8.822 -8.230 -11.614 788 2HB ARG 101 1HB ARG 101 8.645 -7.272 -13.085 789 1HG ARG 101 2HG ARG 101 10.732 -5.977 -12.212 790 2HG ARG 101 1HG ARG 101 10.975 -7.391 -11.183 791 1HD ARG 101 2HD ARG 101 10.368 -8.292 -13.835 792 2HD ARG 101 1HD ARG 101 11.659 -7.094 -13.932 793 HE ARG 101 HE ARG 101 11.800 -9.624 -12.357 794 1HH1 ARG 101 1HH2 ARG 101 13.386 -8.591 -14.885 795 2HH1 ARG 101 2HH2 ARG 101 14.933 -8.325 -14.151 796 1HH2 ARG 101 2HH1 ARG 101 13.716 -8.512 -10.908 797 2HH2 ARG 101 1HH1 ARG 101 15.119 -8.279 -11.896 798 H ASP 102 H ASP 102 7.382 -5.388 -13.502 799 HA ASP 102 HA ASP 102 9.121 -3.174 -14.037 800 1HB ASP 102 2HB ASP 102 7.247 -4.539 -15.486 801 2HB ASP 102 1HB ASP 102 6.391 -3.030 -15.165 802 H ALA 103 H ALA 103 6.499 -3.522 -11.875 803 HA ALA 103 HA ALA 103 5.619 -0.750 -11.893 804 1HB ALA 103 1HB ALA 103 4.535 -1.419 -9.698 805 2HB ALA 103 2HB ALA 103 5.243 -3.020 -9.922 806 3HB ALA 103 3HB ALA 103 4.069 -2.403 -11.086 807 H LEU 104 H LEU 104 7.691 -2.686 -9.712 808 HA LEU 104 HA LEU 104 8.394 -0.352 -8.115 809 1HB LEU 104 2HB LEU 104 9.286 -3.222 -8.213 810 2HB LEU 104 1HB LEU 104 10.215 -2.042 -7.285 811 HG LEU 104 HG LEU 104 7.226 -2.386 -6.966 812 1HD1 LEU 104 1HD1 LEU 104 9.436 -4.050 -6.006 813 2HD1 LEU 104 2HD1 LEU 104 7.700 -4.364 -5.975 814 3HD1 LEU 104 3HD1 LEU 104 8.447 -3.410 -4.692 815 1HD2 LEU 104 1HD2 LEU 104 8.489 -1.475 -4.617 816 2HD2 LEU 104 2HD2 LEU 104 7.499 -0.523 -5.723 817 3HD2 LEU 104 3HD2 LEU 104 9.250 -0.582 -5.934 818 H GLU 105 H GLU 105 9.674 -1.933 -10.954 819 HA GLU 105 HA GLU 105 12.313 -0.730 -10.777 820 1HB GLU 105 2HB GLU 105 11.525 -2.814 -12.155 821 2HB GLU 105 1HB GLU 105 11.061 -1.616 -13.364 822 1HG GLU 105 2HG GLU 105 13.795 -1.474 -12.131 823 2HG GLU 105 1HG GLU 105 13.484 -2.646 -13.412 824 H ASP 106 H ASP 106 9.200 0.330 -11.880 825 HA ASP 106 HA ASP 106 10.211 2.420 -13.639 826 1HB ASP 106 2HB ASP 106 7.611 1.403 -12.787 827 2HB ASP 106 1HB ASP 106 7.642 3.165 -12.855 828 H ALA 107 H ALA 107 9.145 2.229 -10.261 829 HA ALA 107 HA ALA 107 9.033 4.962 -9.623 830 1HB ALA 107 1HB ALA 107 9.401 2.459 -8.166 831 2HB ALA 107 2HB ALA 107 8.531 3.915 -7.684 832 3HB ALA 107 3HB ALA 107 10.270 3.796 -7.412 833 H LEU 108 H LEU 108 11.907 2.834 -9.324 834 HA LEU 108 HA LEU 108 14.190 3.385 -9.330 835 1HB LEU 108 2HB LEU 108 12.906 4.898 -11.431 836 2HB LEU 108 1HB LEU 108 14.232 5.833 -10.740 837 HG LEU 108 HG LEU 108 15.006 3.061 -11.052 838 1HD1 LEU 108 1HD1 LEU 108 13.331 3.113 -12.886 839 2HD1 LEU 108 2HD1 LEU 108 14.976 2.969 -13.506 840 3HD1 LEU 108 3HD1 LEU 108 14.142 4.522 -13.567 841 1HD2 LEU 108 1HD2 LEU 108 16.827 4.158 -12.381 842 2HD2 LEU 108 2HD2 LEU 108 16.590 4.895 -10.797 843 3HD2 LEU 108 3HD2 LEU 108 15.957 5.685 -12.242 844 H ASP 109 H ASP 109 12.664 4.297 -7.094 845 HA ASP 109 HA ASP 109 13.930 6.947 -6.534 846 1HB ASP 109 2HB ASP 109 11.298 6.338 -6.333 847 2HB ASP 109 1HB ASP 109 11.833 5.895 -4.712 848 H VAL 110 H VAL 110 15.883 6.450 -5.586 849 HA VAL 110 HA VAL 110 17.419 5.399 -4.133 850 HB VAL 110 HB VAL 110 15.040 5.648 -2.267 851 1HG1 VAL 110 1HG1 VAL 110 16.638 5.637 -0.497 852 2HG1 VAL 110 2HG1 VAL 110 17.988 5.815 -1.617 853 3HG1 VAL 110 3HG1 VAL 110 17.094 4.296 -1.548 854 1HG2 VAL 110 1HG2 VAL 110 15.976 7.873 -1.738 855 2HG2 VAL 110 2HG2 VAL 110 15.530 7.767 -3.441 856 3HG2 VAL 110 3HG2 VAL 110 17.223 7.640 -2.964 857 H ILE 111 HN ILE 111 17.400 3.329 -5.259 858 HA ILE 111 HA ILE 111 15.594 1.251 -4.169 859 HB ILE 111 HB ILE 111 17.765 0.766 -6.199 860 1HG1 ILE 111 2HG1 ILE 111 16.606 2.757 -7.000 861 2HG1 ILE 111 1HG1 ILE 111 16.077 1.368 -7.950 862 1HG2 ILE 111 1HG2 ILE 111 16.358 -1.017 -6.892 863 2HG2 ILE 111 2HG2 ILE 111 14.958 -0.343 -6.058 864 3HG2 ILE 111 3HG2 ILE 111 16.281 -1.049 -5.131 865 1HD1 ILE 111 1HD1 ILE 111 13.945 1.668 -7.295 866 2HD1 ILE 111 2HD1 ILE 111 14.448 3.155 -6.491 867 3HD1 ILE 111 3HD1 ILE 111 14.424 1.635 -5.597 Start of MODEL 5 1 1H VAL 1 1H VAL 1 23.249 -5.184 -3.913 2 2H VAL 1 2H VAL 1 21.996 -5.775 -2.930 3 3H VAL 1 3H VAL 1 23.421 -6.678 -3.131 4 HA VAL 1 HA VAL 1 24.019 -5.770 -1.186 5 HB VAL 1 HB VAL 1 24.429 -3.533 -3.184 6 1HG1 VAL 1 1HG1 VAL 1 24.688 -2.228 -1.329 7 2HG1 VAL 1 2HG1 VAL 1 26.244 -3.049 -1.214 8 3HG1 VAL 1 3HG1 VAL 1 24.876 -3.616 -0.256 9 1HG2 VAL 1 1HG2 VAL 1 26.265 -5.595 -1.924 10 2HG2 VAL 1 2HG2 VAL 1 26.785 -4.327 -3.034 11 3HG2 VAL 1 3HG2 VAL 1 25.693 -5.595 -3.591 12 H THR 2 H THR 2 22.783 -2.689 -2.438 13 HA THR 2 HA THR 2 21.346 -2.237 0.066 14 HB THR 2 HB THR 2 21.489 -0.638 -2.508 15 HG1 THR 2 HG1 THR 2 23.310 -0.960 -0.873 16 1HG2 THR 2 1HG2 THR 2 20.588 1.194 -0.933 17 2HG2 THR 2 2HG2 THR 2 20.093 -0.132 0.119 18 3HG2 THR 2 3HG2 THR 2 19.435 -0.009 -1.512 19 H ALA 3 H ALA 3 19.880 -4.120 -0.139 20 HA ALA 3 HA ALA 3 17.751 -3.785 -2.195 21 1HB ALA 3 1HB ALA 3 18.965 -6.059 -0.844 22 2HB ALA 3 2HB ALA 3 17.959 -6.031 -2.292 23 3HB ALA 3 3HB ALA 3 17.209 -6.088 -0.697 24 H GLU 4 H GLU 4 15.659 -5.041 -0.804 25 HA GLU 4 HA GLU 4 14.032 -4.675 0.859 26 1HB GLU 4 2HB GLU 4 16.478 -4.004 2.141 27 2HB GLU 4 1HB GLU 4 15.329 -2.720 2.516 28 1HG GLU 4 2HG GLU 4 13.668 -4.678 2.984 29 2HG GLU 4 1HG GLU 4 15.125 -5.663 3.108 30 H ILE 5 H ILE 5 12.344 -3.378 0.357 31 HA ILE 5 HA ILE 5 12.883 -0.479 -0.123 32 HB ILE 5 HB ILE 5 12.592 -1.362 -2.320 33 1HG1 ILE 5 2HG1 ILE 5 9.777 -0.555 -1.584 34 2HG1 ILE 5 1HG1 ILE 5 11.097 0.615 -1.566 35 1HG2 ILE 5 1HG2 ILE 5 10.945 -3.283 -0.917 36 2HG2 ILE 5 2HG2 ILE 5 11.653 -3.398 -2.528 37 3HG2 ILE 5 3HG2 ILE 5 10.077 -2.637 -2.310 38 1HD1 ILE 5 1HD1 ILE 5 10.187 0.798 -3.746 39 2HD1 ILE 5 2HD1 ILE 5 10.017 -0.949 -3.911 40 3HD1 ILE 5 3HD1 ILE 5 11.618 -0.210 -3.954 41 H ARG 6 H ARG 6 10.995 0.890 0.318 42 HA ARG 6 HA ARG 6 9.120 -0.421 2.243 43 1HB ARG 6 2HB ARG 6 10.701 1.997 2.381 44 2HB ARG 6 1HB ARG 6 8.989 2.378 2.563 45 1HG ARG 6 2HG ARG 6 8.810 1.258 4.548 46 2HG ARG 6 1HG ARG 6 9.945 -0.001 4.055 47 1HD ARG 6 2HD ARG 6 11.320 1.061 5.547 48 2HD ARG 6 1HD ARG 6 11.631 2.112 4.166 49 HE ARG 6 HE ARG 6 9.571 2.777 6.232 50 1HH1 ARG 6 2HH1 ARG 6 10.445 4.133 3.460 51 2HH1 ARG 6 1HH1 ARG 6 11.191 5.559 4.102 52 1HH2 ARG 6 1HH2 ARG 6 11.274 4.367 7.358 53 2HH2 ARG 6 2HH2 ARG 6 11.660 5.691 6.310 54 H LEU 7 H LEU 7 7.005 -0.468 1.671 55 HA LEU 7 HA LEU 7 6.057 1.504 -0.359 56 1HB LEU 7 2HB LEU 7 4.447 -0.535 -0.953 57 2HB LEU 7 1HB LEU 7 6.040 -0.388 -1.693 58 HG LEU 7 HG LEU 7 5.936 -1.793 0.923 59 1HD1 LEU 7 1HD1 LEU 7 4.935 -3.071 -1.641 60 2HD1 LEU 7 2HD1 LEU 7 3.923 -2.656 -0.256 61 3HD1 LEU 7 3HD1 LEU 7 5.175 -3.889 -0.096 62 1HD2 LEU 7 1HD2 LEU 7 7.288 -3.275 -1.039 63 2HD2 LEU 7 2HD2 LEU 7 8.022 -2.197 0.148 64 3HD2 LEU 7 3HD2 LEU 7 7.605 -1.591 -1.454 65 H TYR 8 H TYR 8 3.555 1.598 -0.309 66 HA TYR 8 HA TYR 8 2.588 1.213 2.494 67 1HB TYR 8 2HB TYR 8 3.084 3.578 2.185 68 2HB TYR 8 1HB TYR 8 2.162 3.608 0.683 69 HD1 TYR 8 HD1 TYR 8 -0.181 3.955 0.695 70 HD2 TYR 8 HD2 TYR 8 1.862 3.004 4.355 71 HE1 TYR 8 HE1 TYR 8 -2.254 4.429 1.975 72 HE2 TYR 8 HE2 TYR 8 -0.210 3.477 5.635 73 HH TYR 8 HH TYR 8 -3.242 4.323 3.976 74 H ILE 9 H ILE 9 1.193 -0.503 2.149 75 HA ILE 9 HA ILE 9 -0.678 -0.338 -0.160 76 HB ILE 9 HB ILE 9 -0.330 -2.645 1.769 77 1HG1 ILE 9 2HG1 ILE 9 0.968 -2.467 -0.947 78 2HG1 ILE 9 1HG1 ILE 9 1.788 -1.834 0.482 79 1HG2 ILE 9 1HG2 ILE 9 -1.027 -3.719 -0.601 80 2HG2 ILE 9 2HG2 ILE 9 -1.783 -2.136 -0.779 81 3HG2 ILE 9 3HG2 ILE 9 -2.222 -3.175 0.577 82 1HD1 ILE 9 1HD1 ILE 9 2.548 -3.962 0.730 83 2HD1 ILE 9 2HD1 ILE 9 1.293 -4.629 -0.316 84 3HD1 ILE 9 3HD1 ILE 9 0.939 -4.284 1.377 85 H THR 10 H THR 10 -2.923 -0.270 0.164 86 HA THR 10 HA THR 10 -3.817 0.875 2.676 87 HB THR 10 HB THR 10 -6.133 0.458 1.509 88 HG1 THR 10 HG1 THR 10 -5.400 -0.997 -0.026 89 1HG2 THR 10 1HG2 THR 10 -4.284 2.250 -0.035 90 2HG2 THR 10 2HG2 THR 10 -4.610 2.590 1.665 91 3HG2 THR 10 3HG2 THR 10 -5.937 2.553 0.503 92 H GLU 11 H GLU 11 -6.217 -0.267 3.259 93 HA GLU 11 HA GLU 11 -5.648 -3.159 3.724 94 1HB GLU 11 2HB GLU 11 -6.381 -2.948 6.049 95 2HB GLU 11 1HB GLU 11 -5.030 -1.852 5.756 96 1HG GLU 11 2HG GLU 11 -7.218 -0.306 5.075 97 2HG GLU 11 1HG GLU 11 -7.813 -1.235 6.453 98 H GLY 12 H GLY 12 -7.292 -4.108 2.596 99 1HA GLY 12 2HA GLY 12 -10.042 -2.998 2.999 100 2HA GLY 12 1HA GLY 12 -9.519 -3.710 1.472 101 H GLU 13 H GLU 13 -11.732 -4.815 2.519 102 HA GLU 13 HA GLU 13 -10.777 -7.320 3.850 103 1HB GLU 13 2HB GLU 13 -12.834 -5.545 4.604 104 2HB GLU 13 1HB GLU 13 -13.650 -6.962 3.941 105 1HG GLU 13 2HG GLU 13 -11.539 -6.968 6.119 106 2HG GLU 13 1HG GLU 13 -13.261 -7.286 6.334 107 H VAL 14 H VAL 14 -10.853 -6.646 0.934 108 HA VAL 14 HA VAL 14 -12.975 -8.503 -0.017 109 HB VAL 14 HB VAL 14 -11.095 -6.913 -1.763 110 1HG1 VAL 14 1HG1 VAL 14 -13.734 -7.066 -2.765 111 2HG1 VAL 14 2HG1 VAL 14 -13.354 -8.672 -2.141 112 3HG1 VAL 14 3HG1 VAL 14 -12.316 -7.931 -3.358 113 1HG2 VAL 14 1HG2 VAL 14 -13.332 -5.397 -1.737 114 2HG2 VAL 14 2HG2 VAL 14 -11.964 -5.093 -0.665 115 3HG2 VAL 14 3HG2 VAL 14 -13.365 -5.989 -0.077 116 H GLU 15 H GLU 15 -12.361 -10.195 -1.563 117 HA GLU 15 HA GLU 15 -10.076 -11.705 -0.695 118 1HB GLU 15 2HB GLU 15 -11.952 -12.899 -1.601 119 2HB GLU 15 1HB GLU 15 -11.906 -11.962 -3.095 120 1HG GLU 15 2HG GLU 15 -9.989 -13.052 -3.875 121 2HG GLU 15 1HG GLU 15 -9.501 -13.560 -2.258 122 H ASP 16 H ASP 16 -10.320 -9.045 -2.774 123 HA ASP 16 HA ASP 16 -8.251 -9.760 -4.672 124 1HB ASP 16 2HB ASP 16 -9.010 -6.948 -3.857 125 2HB ASP 16 1HB ASP 16 -8.382 -7.499 -5.412 126 H TYR 17 H TYR 17 -8.276 -7.731 -1.726 127 HA TYR 17 HA TYR 17 -5.469 -7.149 -1.790 128 1HB TYR 17 2HB TYR 17 -7.148 -5.896 -0.423 129 2HB TYR 17 1HB TYR 17 -7.282 -7.300 0.636 130 HD1 TYR 17 HD1 TYR 17 -6.356 -6.482 2.668 131 HD2 TYR 17 HD2 TYR 17 -4.202 -6.008 -1.021 132 HE1 TYR 17 HE1 TYR 17 -4.359 -5.725 3.930 133 HE2 TYR 17 HE2 TYR 17 -2.205 -5.252 0.242 134 HH TYR 17 HH TYR 17 -2.291 -4.930 3.794 135 H ARG 18 H ARG 18 -7.286 -9.925 -0.691 136 HA ARG 18 HA ARG 18 -5.122 -11.018 0.930 137 1HB ARG 18 2HB ARG 18 -7.692 -11.532 1.030 138 2HB ARG 18 1HB ARG 18 -7.326 -12.689 -0.250 139 1HG ARG 18 2HG ARG 18 -6.613 -14.139 1.314 140 2HG ARG 18 1HG ARG 18 -5.316 -13.014 1.717 141 1HD ARG 18 2HD ARG 18 -6.712 -11.892 3.349 142 2HD ARG 18 1HD ARG 18 -8.116 -12.840 2.861 143 HE ARG 18 HE ARG 18 -5.762 -13.925 4.336 144 1HH1 ARG 18 2HH1 ARG 18 -8.415 -14.859 2.481 145 2HH1 ARG 18 1HH1 ARG 18 -9.063 -15.959 3.652 146 1HH2 ARG 18 1HH2 ARG 18 -6.833 -15.036 6.143 147 2HH2 ARG 18 2HH2 ARG 18 -8.167 -16.059 5.726 148 H VAL 19 H VAL 19 -6.637 -12.440 -1.984 149 HA VAL 19 HA VAL 19 -4.538 -14.155 -2.665 150 HB VAL 19 HB VAL 19 -6.269 -12.618 -4.625 151 1HG1 VAL 19 1HG1 VAL 19 -4.139 -14.226 -5.180 152 2HG1 VAL 19 2HG1 VAL 19 -5.540 -14.060 -6.238 153 3HG1 VAL 19 3HG1 VAL 19 -5.438 -15.417 -5.118 154 1HG2 VAL 19 1HG2 VAL 19 -6.938 -15.389 -3.795 155 2HG2 VAL 19 2HG2 VAL 19 -8.007 -14.033 -4.149 156 3HG2 VAL 19 3HG2 VAL 19 -7.209 -14.139 -2.582 157 H PHE 20 H PHE 20 -4.812 -10.687 -3.224 158 HA PHE 20 HA PHE 20 -2.598 -10.481 -5.056 159 1HB PHE 20 2HB PHE 20 -4.194 -8.656 -4.881 160 2HB PHE 20 1HB PHE 20 -3.822 -8.447 -3.168 161 HD1 PHE 20 HD1 PHE 20 -2.760 -7.766 -6.591 162 HD2 PHE 20 HD2 PHE 20 -1.566 -7.631 -2.465 163 HE1 PHE 20 HE1 PHE 20 -0.895 -6.240 -7.181 164 HE2 PHE 20 HE2 PHE 20 0.299 -6.105 -3.055 165 HZ PHE 20 HZ PHE 20 0.635 -5.410 -5.413 166 H LEU 21 H LEU 21 -2.845 -9.992 -1.521 167 HA LEU 21 HA LEU 21 -0.135 -9.341 -1.044 168 1HB LEU 21 2HB LEU 21 -2.404 -9.907 0.523 169 2HB LEU 21 1HB LEU 21 -1.177 -11.063 1.042 170 HG LEU 21 HG LEU 21 -0.515 -8.141 0.694 171 1HD1 LEU 21 1HD1 LEU 21 -1.332 -7.584 2.768 172 2HD1 LEU 21 2HD1 LEU 21 -1.098 -9.209 3.412 173 3HD1 LEU 21 3HD1 LEU 21 -2.489 -8.859 2.384 174 1HD2 LEU 21 1HD2 LEU 21 1.363 -9.689 0.890 175 2HD2 LEU 21 2HD2 LEU 21 0.645 -10.426 2.323 176 3HD2 LEU 21 3HD2 LEU 21 1.227 -8.761 2.383 177 H GLU 22 H GLU 22 -1.709 -12.519 -1.312 178 HA GLU 22 HA GLU 22 0.642 -14.049 -0.667 179 1HB GLU 22 2HB GLU 22 -1.857 -14.733 -2.240 180 2HB GLU 22 1HB GLU 22 -0.604 -15.911 -1.848 181 1HG GLU 22 2HG GLU 22 -1.079 -15.870 0.424 182 2HG GLU 22 1HG GLU 22 -1.739 -14.235 0.361 183 H ARG 23 H ARG 23 -0.624 -12.677 -3.663 184 HA ARG 23 HA ARG 23 1.302 -14.058 -5.358 185 1HB ARG 23 2HB ARG 23 -0.926 -12.206 -5.703 186 2HB ARG 23 1HB ARG 23 0.441 -11.794 -6.739 187 1HG ARG 23 2HG ARG 23 -0.373 -13.391 -8.129 188 2HG ARG 23 1HG ARG 23 0.336 -14.534 -6.987 189 1HD ARG 23 2HD ARG 23 -2.194 -13.678 -5.953 190 2HD ARG 23 1HD ARG 23 -2.419 -14.184 -7.628 191 HE ARG 23 HE ARG 23 -0.810 -16.084 -6.142 192 1HH1 ARG 23 1HH2 ARG 23 -3.432 -15.947 -8.072 193 2HH1 ARG 23 2HH2 ARG 23 -4.440 -17.018 -7.157 194 1HH2 ARG 23 2HH1 ARG 23 -2.352 -17.048 -4.389 195 2HH2 ARG 23 1HH1 ARG 23 -3.828 -17.641 -5.072 196 H LEU 24 H LEU 24 1.406 -11.325 -3.296 197 HA LEU 24 HA LEU 24 3.455 -9.850 -4.734 198 1HB LEU 24 2HB LEU 24 1.788 -9.255 -2.642 199 2HB LEU 24 1HB LEU 24 3.320 -9.512 -1.805 200 HG LEU 24 HG LEU 24 4.336 -7.993 -3.650 201 1HD1 LEU 24 1HD1 LEU 24 2.864 -7.346 -5.234 202 2HD1 LEU 24 2HD1 LEU 24 2.114 -6.329 -4.004 203 3HD1 LEU 24 3HD1 LEU 24 1.498 -7.955 -4.300 204 1HD2 LEU 24 1HD2 LEU 24 4.078 -6.133 -2.237 205 2HD2 LEU 24 2HD2 LEU 24 3.756 -7.483 -1.150 206 3HD2 LEU 24 3HD2 LEU 24 2.417 -6.555 -1.826 207 H GLU 25 H GLU 25 3.634 -11.608 -1.610 208 HA GLU 25 HA GLU 25 6.477 -11.712 -1.549 209 1HB GLU 25 2HB GLU 25 6.197 -13.484 0.131 210 2HB GLU 25 1HB GLU 25 5.045 -12.180 0.420 211 1HG GLU 25 2HG GLU 25 3.237 -13.467 -0.149 212 2HG GLU 25 1HG GLU 25 4.133 -14.365 -1.375 213 H GLN 26 H GLN 26 4.179 -13.531 -3.392 214 HA GLN 26 HA GLN 26 5.522 -15.960 -3.834 215 1HB GLN 26 2HB GLN 26 3.268 -15.298 -4.767 216 2HB GLN 26 1HB GLN 26 4.122 -14.346 -5.984 217 1HG GLN 26 2HG GLN 26 4.121 -16.259 -7.205 218 2HG GLN 26 1HG GLN 26 5.427 -16.764 -6.132 219 1HE2 GLN 26 1HE2 GLN 26 2.047 -17.269 -6.937 220 2HE2 GLN 26 2HE2 GLN 26 1.780 -18.541 -5.844 221 H SER 27 H SER 27 6.068 -12.792 -5.352 222 HA SER 27 HA SER 27 8.157 -13.778 -7.113 223 1HB SER 27 2HB SER 27 6.982 -11.138 -6.415 224 2HB SER 27 1HB SER 27 8.646 -11.119 -6.996 225 HG SER 27 HG SER 27 7.818 -12.497 -8.748 226 H GLY 28 H GLY 28 8.012 -12.570 -3.836 227 1HA GLY 28 2HA GLY 28 9.798 -13.109 -2.264 228 2HA GLY 28 1HA GLY 28 10.941 -13.070 -3.607 229 H LEU 29 H LEU 29 12.314 -11.398 -3.166 230 HA LEU 29 HA LEU 29 13.030 -9.193 -2.806 231 1HB LEU 29 2HB LEU 29 10.594 -9.020 -4.290 232 2HB LEU 29 1HB LEU 29 10.578 -7.744 -3.072 233 HG LEU 29 HG LEU 29 11.664 -6.966 -5.147 234 1HD1 LEU 29 1HD1 LEU 29 13.076 -7.189 -2.549 235 2HD1 LEU 29 2HD1 LEU 29 12.660 -5.753 -3.486 236 3HD1 LEU 29 3HD1 LEU 29 14.076 -6.712 -3.921 237 1HD2 LEU 29 1HD2 LEU 29 13.133 -8.249 -6.291 238 2HD2 LEU 29 2HD2 LEU 29 12.698 -9.564 -5.199 239 3HD2 LEU 29 3HD2 LEU 29 14.095 -8.548 -4.845 240 H GLU 30 H GLU 30 13.359 -8.152 -0.882 241 HA GLU 30 HA GLU 30 11.489 -8.731 1.327 242 1HB GLU 30 2HB GLU 30 14.190 -7.354 1.244 243 2HB GLU 30 1HB GLU 30 13.258 -7.612 2.720 244 1HG GLU 30 2HG GLU 30 13.292 -10.045 2.324 245 2HG GLU 30 1HG GLU 30 14.222 -9.794 0.847 246 H TRP 31 H TRP 31 9.770 -7.363 1.498 247 HA TRP 31 HA TRP 31 10.289 -4.447 1.071 248 1HB TRP 31 2HB TRP 31 7.768 -4.373 0.574 249 2HB TRP 31 1HB TRP 31 8.796 -5.107 -0.657 250 HD1 TRP 31 HD1 TRP 31 8.530 -7.650 -1.132 251 HE1 TRP 31 HE1 TRP 31 6.854 -9.441 -0.339 252 HE3 TRP 31 HE3 TRP 31 6.276 -5.117 2.689 253 HZ2 TRP 31 HZ2 TRP 31 4.824 -9.758 1.653 254 HZ3 TRP 31 HZ3 TRP 31 4.474 -6.186 4.016 255 HH2 TRP 31 HH2 TRP 31 3.747 -8.501 3.503 256 H ARG 32 H ARG 32 9.057 -3.007 2.479 257 HA ARG 32 HA ARG 32 7.917 -4.305 4.906 258 1HB ARG 32 2HB ARG 32 10.113 -2.229 4.803 259 2HB ARG 32 1HB ARG 32 9.120 -2.470 6.240 260 1HG ARG 32 2HG ARG 32 10.283 -4.915 5.013 261 2HG ARG 32 1HG ARG 32 11.412 -3.826 5.820 262 1HD ARG 32 2HD ARG 32 10.720 -4.548 7.834 263 2HD ARG 32 1HD ARG 32 9.057 -4.105 7.446 264 HE ARG 32 HE ARG 32 9.053 -6.420 6.223 265 1HH1 ARG 32 1HH2 ARG 32 11.693 -7.360 7.059 266 2HH1 ARG 32 2HH2 ARG 32 11.374 -8.192 8.543 267 1HH2 ARG 32 2HH1 ARG 32 8.263 -6.733 9.001 268 2HH2 ARG 32 1HH1 ARG 32 9.432 -7.837 9.643 269 HA PRO 33 HA PRO 33 4.876 -1.166 4.538 270 1HB PRO 33 2HB PRO 33 4.125 -0.922 7.171 271 2HB PRO 33 1HB PRO 33 3.680 -2.300 6.149 272 1HG PRO 33 2HG PRO 33 5.714 -2.156 8.327 273 2HG PRO 33 1HG PRO 33 4.799 -3.554 7.736 274 1HD PRO 33 2HD PRO 33 7.493 -2.957 7.111 275 2HD PRO 33 1HD PRO 33 6.464 -4.140 6.274 276 H ALA 34 H ALA 34 5.025 1.046 4.353 277 HA ALA 34 HA ALA 34 6.859 2.471 6.240 278 1HB ALA 34 1HB ALA 34 6.136 3.428 3.468 279 2HB ALA 34 2HB ALA 34 7.492 2.335 3.746 280 3HB ALA 34 3HB ALA 34 7.486 3.939 4.482 281 H THR 35 H THR 35 6.119 5.080 5.617 282 HA THR 35 HA THR 35 3.349 5.137 6.714 283 HB THR 35 HB THR 35 4.458 7.735 6.734 284 HG1 THR 35 HG1 THR 35 6.455 7.430 7.600 285 1HG2 THR 35 1HG2 THR 35 4.686 6.025 9.154 286 2HG2 THR 35 2HG2 THR 35 3.084 6.149 8.425 287 3HG2 THR 35 3HG2 THR 35 3.926 7.604 8.958 288 HA PRO 36 HA PRO 36 1.716 7.161 3.176 289 1HB PRO 36 2HB PRO 36 0.246 9.218 4.256 290 2HB PRO 36 1HB PRO 36 -0.239 7.516 4.346 291 1HG PRO 36 2HG PRO 36 0.896 9.262 6.486 292 2HG PRO 36 1HG PRO 36 -0.165 7.850 6.633 293 1HD PRO 36 2HD PRO 36 2.624 7.873 7.096 294 2HD PRO 36 1HD PRO 36 1.615 6.426 6.893 295 H GLU 37 H GLU 37 3.661 9.076 5.329 296 HA GLU 37 HA GLU 37 4.026 11.129 3.184 297 1HB GLU 37 2HB GLU 37 3.240 12.130 5.252 298 2HB GLU 37 1HB GLU 37 4.487 11.293 6.177 299 1HG GLU 37 2HG GLU 37 6.226 12.591 5.228 300 2HG GLU 37 1HG GLU 37 5.196 13.159 3.914 301 H ASP 38 H ASP 38 5.464 8.444 4.596 302 HA ASP 38 HA ASP 38 8.112 9.269 3.509 303 1HB ASP 38 2HB ASP 38 7.902 9.452 6.099 304 2HB ASP 38 1HB ASP 38 7.922 7.687 6.068 305 H ALA 39 H ALA 39 6.363 7.701 2.092 306 HA ALA 39 HA ALA 39 7.258 4.896 2.571 307 1HB ALA 39 1HB ALA 39 4.988 4.669 2.313 308 2HB ALA 39 2HB ALA 39 5.423 4.655 0.603 309 3HB ALA 39 3HB ALA 39 4.848 6.142 1.354 310 H ASP 40 H ASP 40 8.633 3.934 1.126 311 HA ASP 40 HA ASP 40 9.996 5.497 -0.850 312 1HB ASP 40 2HB ASP 40 10.230 2.890 0.282 313 2HB ASP 40 1HB ASP 40 10.197 2.704 -1.471 314 H ALA 41 H ALA 41 7.238 3.307 -1.008 315 HA ALA 41 HA ALA 41 6.606 4.359 -3.696 316 1HB ALA 41 1HB ALA 41 6.905 1.391 -3.131 317 2HB ALA 41 2HB ALA 41 7.968 2.352 -4.159 318 3HB ALA 41 3HB ALA 41 6.289 2.088 -4.630 319 H VAL 42 H VAL 42 4.459 4.854 -3.651 320 HA VAL 42 HA VAL 42 2.795 3.872 -1.458 321 HB VAL 42 HB VAL 42 1.957 5.515 -3.862 322 1HG1 VAL 42 1HG1 VAL 42 0.781 4.945 -1.137 323 2HG1 VAL 42 2HG1 VAL 42 0.029 4.725 -2.718 324 3HG1 VAL 42 3HG1 VAL 42 0.292 6.351 -2.084 325 1HG2 VAL 42 1HG2 VAL 42 3.163 7.218 -3.013 326 2HG2 VAL 42 2HG2 VAL 42 3.773 6.159 -1.742 327 3HG2 VAL 42 3HG2 VAL 42 2.286 7.074 -1.491 328 H ILE 43 H ILE 43 0.772 2.727 -1.779 329 HA ILE 43 HA ILE 43 0.413 1.342 -4.373 330 HB ILE 43 HB ILE 43 0.913 -0.061 -1.731 331 1HG1 ILE 43 2HG1 ILE 43 2.252 -0.102 -4.451 332 2HG1 ILE 43 1HG1 ILE 43 2.957 0.414 -2.918 333 1HG2 ILE 43 1HG2 ILE 43 -0.141 -1.168 -4.353 334 2HG2 ILE 43 2HG2 ILE 43 -1.027 -1.077 -2.830 335 3HG2 ILE 43 3HG2 ILE 43 0.369 -2.146 -2.976 336 1HD1 ILE 43 1HD1 ILE 43 3.756 -1.823 -3.406 337 2HD1 ILE 43 2HD1 ILE 43 2.108 -2.396 -3.672 338 3HD1 ILE 43 3HD1 ILE 43 2.626 -1.921 -2.054 339 H VAL 44 H VAL 44 -1.656 2.138 -4.690 340 HA VAL 44 HA VAL 44 -3.599 1.763 -2.448 341 HB VAL 44 HB VAL 44 -4.108 3.537 -4.825 342 1HG1 VAL 44 1HG1 VAL 44 -6.027 3.544 -3.568 343 2HG1 VAL 44 2HG1 VAL 44 -5.144 4.767 -2.656 344 3HG1 VAL 44 3HG1 VAL 44 -5.182 3.097 -2.086 345 1HG2 VAL 44 1HG2 VAL 44 -2.370 4.858 -4.252 346 2HG2 VAL 44 2HG2 VAL 44 -2.005 3.857 -2.847 347 3HG2 VAL 44 3HG2 VAL 44 -3.189 5.159 -2.720 348 H LEU 45 H LEU 45 -5.395 0.501 -2.816 349 HA LEU 45 HA LEU 45 -5.431 -1.093 -5.285 350 1HB LEU 45 2HB LEU 45 -6.954 -1.147 -2.685 351 2HB LEU 45 1HB LEU 45 -7.521 -2.081 -4.070 352 HG LEU 45 HG LEU 45 -5.984 -3.343 -2.498 353 1HD1 LEU 45 1HD1 LEU 45 -5.231 -4.596 -4.259 354 2HD1 LEU 45 2HD1 LEU 45 -4.529 -3.203 -5.082 355 3HD1 LEU 45 3HD1 LEU 45 -6.262 -3.509 -5.189 356 1HD2 LEU 45 1HD2 LEU 45 -3.940 -1.442 -3.691 357 2HD2 LEU 45 2HD2 LEU 45 -3.576 -2.826 -2.662 358 3HD2 LEU 45 3HD2 LEU 45 -4.465 -1.452 -2.008 359 H ALA 46 H ALA 46 -6.784 -0.717 -6.994 360 HA ALA 46 HA ALA 46 -8.422 1.692 -6.993 361 1HB ALA 46 1HB ALA 46 -8.745 -0.312 -9.166 362 2HB ALA 46 2HB ALA 46 -7.126 0.355 -8.954 363 3HB ALA 46 3HB ALA 46 -8.487 1.430 -9.272 364 H GLY 47 H GLY 47 -9.028 -1.795 -6.840 365 1HA GLY 47 2HA GLY 47 -11.947 -1.346 -6.863 366 2HA GLY 47 1HA GLY 47 -11.143 -2.915 -6.782 367 H LEU 48 H LEU 48 -10.395 -0.173 -4.684 368 HA LEU 48 HA LEU 48 -11.583 -1.710 -2.410 369 1HB LEU 48 2HB LEU 48 -8.874 -1.248 -2.828 370 2HB LEU 48 1HB LEU 48 -9.334 0.015 -1.686 371 HG LEU 48 HG LEU 48 -10.534 -2.564 -1.019 372 1HD1 LEU 48 1HD1 LEU 48 -7.516 -2.355 -0.842 373 2HD1 LEU 48 2HD1 LEU 48 -8.352 -3.281 -2.089 374 3HD1 LEU 48 3HD1 LEU 48 -8.522 -3.733 -0.393 375 1HD2 LEU 48 1HD2 LEU 48 -9.378 -0.207 0.231 376 2HD2 LEU 48 2HD2 LEU 48 -8.794 -1.682 1.002 377 3HD2 LEU 48 3HD2 LEU 48 -10.527 -1.369 0.897 378 H TRP 49 H TRP 49 -11.020 1.407 -3.921 379 HA TRP 49 HA TRP 49 -11.774 3.112 -1.785 380 1HB TRP 49 2HB TRP 49 -12.414 4.736 -3.532 381 2HB TRP 49 1HB TRP 49 -10.874 3.968 -3.910 382 HD1 TRP 49 HD1 TRP 49 -14.591 3.071 -4.622 383 HE1 TRP 49 HE1 TRP 49 -14.770 2.355 -7.089 384 HE3 TRP 49 HE3 TRP 49 -9.718 3.622 -6.056 385 HZ2 TRP 49 HZ2 TRP 49 -13.073 2.058 -9.373 386 HZ3 TRP 49 HZ3 TRP 49 -9.027 3.119 -8.383 387 HH2 TRP 49 HH2 TRP 49 -10.698 2.338 -10.042 388 H GLY 50 H GLY 50 -13.641 0.857 -3.585 389 1HA GLY 50 2HA GLY 50 -16.213 1.842 -3.681 390 2HA GLY 50 1HA GLY 50 -15.873 0.180 -3.197 391 H THR 51 H THR 51 -14.377 1.069 -0.785 392 HA THR 51 HA THR 51 -16.695 2.054 0.831 393 HB THR 51 HB THR 51 -16.558 -0.149 1.561 394 HG1 THR 51 HG1 THR 51 -15.531 -0.078 3.534 395 1HG2 THR 51 1HG2 THR 51 -14.503 -1.450 1.654 396 2HG2 THR 51 2HG2 THR 51 -13.543 -0.015 1.294 397 3HG2 THR 51 3HG2 THR 51 -14.625 -0.682 0.071 398 H ARG 52 H ARG 52 -13.138 1.735 0.746 399 HA ARG 52 HA ARG 52 -12.874 3.928 2.704 400 1HB ARG 52 2HB ARG 52 -11.086 1.891 1.494 401 2HB ARG 52 1HB ARG 52 -10.334 3.436 1.889 402 1HG ARG 52 2HG ARG 52 -10.255 2.824 4.050 403 2HG ARG 52 1HG ARG 52 -12.018 2.745 4.073 404 1HD ARG 52 2HD ARG 52 -11.988 0.433 3.366 405 2HD ARG 52 1HD ARG 52 -10.246 0.489 3.095 406 HE ARG 52 HE ARG 52 -10.261 1.050 5.698 407 1HH1 ARG 52 1HH2 ARG 52 -13.109 -0.327 4.661 408 2HH1 ARG 52 2HH2 ARG 52 -13.010 -1.741 5.655 409 1HH2 ARG 52 2HH1 ARG 52 -9.753 -1.119 6.672 410 2HH2 ARG 52 1HH1 ARG 52 -11.109 -2.190 6.794 411 H ARG 53 H ARG 53 -14.165 4.861 0.449 412 HA ARG 53 HA ARG 53 -12.537 5.846 -1.651 413 1HB ARG 53 2HB ARG 53 -15.144 5.931 -1.284 414 2HB ARG 53 1HB ARG 53 -14.793 7.502 -0.564 415 1HG ARG 53 2HG ARG 53 -14.533 8.425 -2.599 416 2HG ARG 53 1HG ARG 53 -13.317 7.219 -3.024 417 1HD ARG 53 2HD ARG 53 -14.805 6.380 -4.495 418 2HD ARG 53 1HD ARG 53 -15.744 5.828 -3.109 419 HE ARG 53 HE ARG 53 -16.308 8.600 -3.712 420 1HH1 ARG 53 1HH2 ARG 53 -16.458 6.013 -5.796 421 2HH1 ARG 53 2HH2 ARG 53 -18.176 6.041 -6.012 422 1HH2 ARG 53 2HH1 ARG 53 -18.723 8.358 -3.491 423 2HH2 ARG 53 1HH1 ARG 53 -19.458 7.368 -4.707 424 H ASP 54 H ASP 54 -13.362 7.343 1.483 425 HA ASP 54 HA ASP 54 -11.873 9.756 1.011 426 1HB ASP 54 2HB ASP 54 -13.628 8.954 2.931 427 2HB ASP 54 1HB ASP 54 -12.103 8.805 3.806 428 H GLU 55 H GLU 55 -10.991 6.583 2.262 429 HA GLU 55 HA GLU 55 -8.456 7.335 3.382 430 1HB GLU 55 2HB GLU 55 -9.906 5.045 3.383 431 2HB GLU 55 1HB GLU 55 -8.704 4.642 2.156 432 1HG GLU 55 2HG GLU 55 -8.015 5.740 4.896 433 2HG GLU 55 1HG GLU 55 -8.007 4.022 4.493 434 H ILE 56 H ILE 56 -9.143 5.680 0.277 435 HA ILE 56 HA ILE 56 -6.541 5.862 -0.789 436 HB ILE 56 HB ILE 56 -9.254 5.849 -2.127 437 1HG1 ILE 56 2HG1 ILE 56 -8.015 3.542 -2.805 438 2HG1 ILE 56 1HG1 ILE 56 -7.231 3.848 -1.255 439 1HG2 ILE 56 1HG2 ILE 56 -6.535 6.219 -3.268 440 2HG2 ILE 56 2HG2 ILE 56 -8.103 6.707 -3.912 441 3HG2 ILE 56 3HG2 ILE 56 -7.564 5.037 -4.079 442 1HD1 ILE 56 1HD1 ILE 56 -9.561 2.541 -1.415 443 2HD1 ILE 56 2HD1 ILE 56 -10.193 4.187 -1.387 444 3HD1 ILE 56 3HD1 ILE 56 -9.187 3.606 -0.060 445 H LEU 57 H LEU 57 -9.276 8.076 -1.488 446 HA LEU 57 HA LEU 57 -7.980 9.980 -3.018 447 1HB LEU 57 2HB LEU 57 -10.330 9.911 -1.370 448 2HB LEU 57 1HB LEU 57 -9.507 11.452 -1.126 449 HG LEU 57 HG LEU 57 -9.304 11.442 -3.745 450 1HD1 LEU 57 1HD1 LEU 57 -10.256 9.637 -4.709 451 2HD1 LEU 57 2HD1 LEU 57 -11.815 10.299 -4.217 452 3HD1 LEU 57 3HD1 LEU 57 -10.986 9.132 -3.186 453 1HD2 LEU 57 1HD2 LEU 57 -10.805 12.840 -2.075 454 2HD2 LEU 57 2HD2 LEU 57 -12.107 11.863 -2.752 455 3HD2 LEU 57 3HD2 LEU 57 -11.133 12.886 -3.807 456 H GLY 58 H GLY 58 -7.504 9.348 0.389 457 1HA GLY 58 2HA GLY 58 -6.183 11.830 1.023 458 2HA GLY 58 1HA GLY 58 -6.058 10.339 1.955 459 H ALA 59 H ALA 59 -4.675 8.587 0.791 460 HA ALA 59 HA ALA 59 -2.020 9.410 0.590 461 1HB ALA 59 1HB ALA 59 -2.993 7.018 0.652 462 2HB ALA 59 2HB ALA 59 -1.527 7.271 -0.295 463 3HB ALA 59 3HB ALA 59 -3.090 7.153 -1.104 464 H VAL 60 H VAL 60 -4.451 9.285 -1.989 465 HA VAL 60 HA VAL 60 -2.716 9.767 -4.188 466 HB VAL 60 HB VAL 60 -5.573 10.719 -3.815 467 1HG1 VAL 60 1HG1 VAL 60 -5.660 10.885 -6.201 468 2HG1 VAL 60 2HG1 VAL 60 -4.094 10.094 -6.381 469 3HG1 VAL 60 3HG1 VAL 60 -4.188 11.723 -5.711 470 1HG2 VAL 60 1HG2 VAL 60 -5.770 8.418 -3.580 471 2HG2 VAL 60 2HG2 VAL 60 -4.326 8.093 -4.540 472 3HG2 VAL 60 3HG2 VAL 60 -5.830 8.555 -5.338 473 H ASP 61 H ASP 61 -4.737 12.196 -2.477 474 HA ASP 61 HA ASP 61 -3.598 14.476 -3.672 475 1HB ASP 61 2HB ASP 61 -5.086 13.909 -1.179 476 2HB ASP 61 1HB ASP 61 -4.111 15.379 -1.148 477 H LEU 62 H LEU 62 -2.696 13.115 -0.476 478 HA LEU 62 HA LEU 62 -0.463 14.726 0.023 479 1HB LEU 62 2HB LEU 62 -1.588 12.513 1.227 480 2HB LEU 62 1HB LEU 62 -0.016 11.902 0.707 481 HG LEU 62 HG LEU 62 -0.513 14.375 2.390 482 1HD1 LEU 62 1HD1 LEU 62 0.881 13.028 4.035 483 2HD1 LEU 62 2HD1 LEU 62 0.666 11.645 2.961 484 3HD1 LEU 62 3HD1 LEU 62 -0.736 12.392 3.727 485 1HD2 LEU 62 1HD2 LEU 62 1.388 14.563 0.743 486 2HD2 LEU 62 2HD2 LEU 62 2.121 13.155 1.509 487 3HD2 LEU 62 3HD2 LEU 62 1.896 14.641 2.429 488 H ALA 63 H ALA 63 -0.806 12.096 -2.257 489 HA ALA 63 HA ALA 63 2.022 11.675 -2.697 490 1HB ALA 63 1HB ALA 63 1.372 10.176 -4.337 491 2HB ALA 63 2HB ALA 63 0.028 11.185 -4.873 492 3HB ALA 63 3HB ALA 63 -0.115 10.242 -3.389 493 H ARG 64 H ARG 64 -0.462 13.612 -4.380 494 HA ARG 64 HA ARG 64 1.348 14.632 -6.374 495 1HB ARG 64 2HB ARG 64 -1.429 15.018 -5.602 496 2HB ARG 64 1HB ARG 64 -0.662 16.551 -6.020 497 1HG ARG 64 2HG ARG 64 0.136 15.563 -8.146 498 2HG ARG 64 1HG ARG 64 -0.670 14.049 -7.734 499 1HD ARG 64 2HD ARG 64 -2.038 15.471 -9.260 500 2HD ARG 64 1HD ARG 64 -2.843 15.161 -7.721 501 HE ARG 64 HE ARG 64 -2.805 17.481 -7.370 502 1HH1 ARG 64 2HH1 ARG 64 -0.412 16.527 -9.659 503 2HH1 ARG 64 1HH1 ARG 64 0.256 18.117 -9.822 504 1HH2 ARG 64 1HH2 ARG 64 -1.871 19.541 -7.484 505 2HH2 ARG 64 2HH2 ARG 64 -0.569 19.821 -8.592 506 H LYS 65 H LYS 65 1.175 15.196 -3.060 507 HA LYS 65 HA LYS 65 1.611 17.963 -2.773 508 1HB LYS 65 2HB LYS 65 1.392 16.276 -0.904 509 2HB LYS 65 1HB LYS 65 3.065 15.811 -1.213 510 1HG LYS 65 2HG LYS 65 3.827 17.580 -0.053 511 2HG LYS 65 1HG LYS 65 2.862 18.685 -1.034 512 1HD LYS 65 2HD LYS 65 1.335 17.094 0.939 513 2HD LYS 65 1HD LYS 65 2.445 18.281 1.626 514 1HE LYS 65 2HE LYS 65 0.407 18.907 -0.530 515 2HE LYS 65 1HE LYS 65 0.154 19.205 1.190 516 1HZ LYS 65 1HZ LYS 65 2.634 20.229 0.092 517 2HZ LYS 65 2HZ LYS 65 1.551 20.943 1.189 518 3HZ LYS 65 3HZ LYS 65 1.226 20.983 -0.477 519 H SER 66 H SER 66 4.144 15.442 -3.079 520 HA SER 66 HA SER 66 5.949 17.582 -4.132 521 1HB SER 66 2HB SER 66 7.177 16.808 -2.353 522 2HB SER 66 1HB SER 66 6.376 15.240 -2.350 523 HG SER 66 HG SER 66 8.255 14.704 -3.204 524 H SER 67 H SER 67 6.203 14.041 -4.357 525 HA SER 67 HA SER 67 5.324 13.768 -7.045 526 1HB SER 67 2HB SER 67 7.554 13.620 -8.181 527 2HB SER 67 1HB SER 67 7.152 15.252 -7.651 528 HG SER 67 HG SER 67 8.515 13.569 -5.882 529 H LYS 68 H LYS 68 4.916 12.114 -4.977 530 HA LYS 68 HA LYS 68 6.965 9.996 -4.942 531 1HB LYS 68 2HB LYS 68 4.250 10.213 -3.607 532 2HB LYS 68 1HB LYS 68 5.368 8.868 -3.378 533 1HG LYS 68 2HG LYS 68 6.583 10.044 -1.891 534 2HG LYS 68 1HG LYS 68 6.732 11.399 -3.012 535 1HD LYS 68 2HD LYS 68 4.467 12.173 -2.349 536 2HD LYS 68 1HD LYS 68 4.372 10.848 -1.188 537 1HE LYS 68 2HE LYS 68 6.491 13.019 -1.180 538 2HE LYS 68 1HE LYS 68 5.090 12.967 -0.110 539 1HZ LYS 68 1HZ LYS 68 7.542 11.736 0.264 540 2HZ LYS 68 2HZ LYS 68 6.438 10.487 -0.061 541 3HZ LYS 68 3HZ LYS 68 6.150 11.569 1.217 542 HA PRO 69 HA PRO 69 5.083 7.565 -8.071 543 1HB PRO 69 2HB PRO 69 5.957 5.084 -7.273 544 2HB PRO 69 1HB PRO 69 7.001 6.289 -8.048 545 1HG PRO 69 2HG PRO 69 6.894 5.461 -5.184 546 2HG PRO 69 1HG PRO 69 8.248 6.132 -6.107 547 1HD PRO 69 2HD PRO 69 6.618 7.560 -4.287 548 2HD PRO 69 1HD PRO 69 7.745 8.274 -5.461 549 H ILE 70 H ILE 70 2.893 7.197 -8.095 550 HA ILE 70 HA ILE 70 1.616 5.890 -5.757 551 HB ILE 70 HB ILE 70 0.429 7.216 -8.214 552 1HG1 ILE 70 2HG1 ILE 70 0.486 8.115 -5.317 553 2HG1 ILE 70 1HG1 ILE 70 1.589 8.711 -6.559 554 1HG2 ILE 70 1HG2 ILE 70 -0.790 5.281 -6.772 555 2HG2 ILE 70 2HG2 ILE 70 -1.662 6.643 -7.474 556 3HG2 ILE 70 3HG2 ILE 70 -1.185 6.682 -5.777 557 1HD1 ILE 70 1HD1 ILE 70 -0.735 9.113 -7.847 558 2HD1 ILE 70 2HD1 ILE 70 -0.039 10.321 -6.766 559 3HD1 ILE 70 3HD1 ILE 70 -1.317 9.250 -6.188 560 H ILE 71 H ILE 71 1.601 3.692 -5.861 561 HA ILE 71 HA ILE 71 1.504 2.368 -8.511 562 HB ILE 71 HB ILE 71 1.756 1.113 -5.766 563 1HG1 ILE 71 2HG1 ILE 71 3.586 2.739 -6.240 564 2HG1 ILE 71 1HG1 ILE 71 4.169 1.075 -6.185 565 1HG2 ILE 71 1HG2 ILE 71 3.052 -0.312 -7.879 566 2HG2 ILE 71 2HG2 ILE 71 1.407 0.058 -8.397 567 3HG2 ILE 71 3HG2 ILE 71 1.680 -0.828 -6.898 568 1HD1 ILE 71 1HD1 ILE 71 4.820 1.140 -8.345 569 2HD1 ILE 71 2HD1 ILE 71 4.556 2.882 -8.276 570 3HD1 ILE 71 3HD1 ILE 71 3.275 1.819 -8.859 571 H THR 72 H THR 72 -0.698 2.717 -9.088 572 HA THR 72 HA THR 72 -2.803 1.809 -7.234 573 HB THR 72 HB THR 72 -4.345 2.765 -8.749 574 HG1 THR 72 HG1 THR 72 -2.357 2.924 -10.741 575 1HG2 THR 72 1HG2 THR 72 -3.615 4.960 -8.875 576 2HG2 THR 72 2HG2 THR 72 -2.010 4.501 -9.444 577 3HG2 THR 72 3HG2 THR 72 -2.432 4.302 -7.743 578 H VAL 73 H VAL 73 -3.655 -0.220 -7.295 579 HA VAL 73 HA VAL 73 -2.759 -2.023 -9.484 580 HB VAL 73 HB VAL 73 -4.101 -2.656 -6.836 581 1HG1 VAL 73 1HG1 VAL 73 -3.632 -4.209 -9.230 582 2HG1 VAL 73 2HG1 VAL 73 -4.454 -4.686 -7.743 583 3HG1 VAL 73 3HG1 VAL 73 -2.706 -4.873 -7.883 584 1HG2 VAL 73 1HG2 VAL 73 -1.304 -3.459 -7.442 585 2HG2 VAL 73 2HG2 VAL 73 -2.015 -2.924 -5.920 586 3HG2 VAL 73 3HG2 VAL 73 -1.571 -1.740 -7.149 587 H ARG 74 H ARG 74 -4.193 -2.775 -10.987 588 HA ARG 74 HA ARG 74 -6.807 -1.629 -11.219 589 1HB ARG 74 2HB ARG 74 -5.157 -3.548 -12.696 590 2HB ARG 74 1HB ARG 74 -6.876 -3.942 -12.752 591 1HG ARG 74 2HG ARG 74 -7.420 -1.738 -13.590 592 2HG ARG 74 1HG ARG 74 -5.759 -1.191 -13.358 593 1HD ARG 74 2HD ARG 74 -5.378 -3.409 -14.916 594 2HD ARG 74 1HD ARG 74 -6.919 -2.814 -15.534 595 HE ARG 74 HE ARG 74 -4.766 -0.810 -15.267 596 1HH1 ARG 74 1HH2 ARG 74 -7.057 -0.306 -17.044 597 2HH1 ARG 74 2HH2 ARG 74 -6.440 -0.718 -18.609 598 1HH2 ARG 74 2HH1 ARG 74 -3.744 -2.510 -17.364 599 2HH2 ARG 74 1HH1 ARG 74 -4.563 -1.967 -18.791 600 HA PRO 75 HA PRO 75 -9.343 -4.403 -8.959 601 1HB PRO 75 2HB PRO 75 -11.474 -4.772 -10.658 602 2HB PRO 75 1HB PRO 75 -11.185 -3.271 -9.762 603 1HG PRO 75 2HG PRO 75 -10.762 -3.837 -12.661 604 2HG PRO 75 1HG PRO 75 -11.109 -2.297 -11.857 605 1HD PRO 75 2HD PRO 75 -8.573 -3.146 -12.770 606 2HD PRO 75 1HD PRO 75 -8.881 -1.791 -11.662 607 H TYR 76 H TYR 76 -10.296 -6.628 -8.925 608 HA TYR 76 HA TYR 76 -8.595 -8.544 -10.236 609 1HB TYR 76 2HB TYR 76 -9.634 -9.048 -8.081 610 2HB TYR 76 1HB TYR 76 -11.241 -8.907 -8.795 611 HD1 TYR 76 HD1 TYR 76 -12.222 -11.023 -8.908 612 HD2 TYR 76 HD2 TYR 76 -8.083 -10.562 -9.972 613 HE1 TYR 76 HE1 TYR 76 -12.131 -13.408 -9.586 614 HE2 TYR 76 HE2 TYR 76 -7.992 -12.947 -10.650 615 HH TYR 76 HH TYR 76 -10.823 -14.868 -10.998 616 H GLY 77 H GLY 77 -11.413 -6.882 -11.249 617 1HA GLY 77 2HA GLY 77 -11.944 -7.020 -13.672 618 2HA GLY 77 1HA GLY 77 -11.653 -8.757 -13.567 619 H LEU 78 H LEU 78 -13.546 -6.594 -11.448 620 HA LEU 78 HA LEU 78 -15.982 -8.141 -12.201 621 1HB LEU 78 2HB LEU 78 -14.638 -8.544 -9.821 622 2HB LEU 78 1HB LEU 78 -15.871 -7.365 -9.370 623 HG LEU 78 HG LEU 78 -16.874 -9.510 -11.115 624 1HD1 LEU 78 1HD1 LEU 78 -16.097 -10.210 -8.272 625 2HD1 LEU 78 2HD1 LEU 78 -15.144 -10.690 -9.676 626 3HD1 LEU 78 3HD1 LEU 78 -16.796 -11.279 -9.488 627 1HD2 LEU 78 1HD2 LEU 78 -17.735 -8.510 -8.381 628 2HD2 LEU 78 2HD2 LEU 78 -18.710 -9.451 -9.509 629 3HD2 LEU 78 3HD2 LEU 78 -18.249 -7.796 -9.909 630 H GLU 79 H GLU 79 -14.607 -5.221 -12.231 631 HA GLU 79 HA GLU 79 -17.208 -3.846 -12.109 632 1HB GLU 79 2HB GLU 79 -15.802 -3.816 -9.818 633 2HB GLU 79 1HB GLU 79 -15.004 -2.477 -10.644 634 1HG GLU 79 2HG GLU 79 -17.579 -1.859 -11.179 635 2HG GLU 79 1HG GLU 79 -17.790 -2.687 -9.636 636 H ASN 80 H ASN 80 -15.594 -1.269 -11.997 637 HA ASN 80 HA ASN 80 -14.101 -1.419 -14.551 638 1HB ASN 80 2HB ASN 80 -15.422 0.707 -15.256 639 2HB ASN 80 1HB ASN 80 -16.206 -0.861 -15.456 640 1HD2 ASN 80 1HD2 ASN 80 -18.068 -1.315 -14.165 641 2HD2 ASN 80 2HD2 ASN 80 -18.744 -0.190 -13.088 642 H VAL 81 H VAL 81 -12.695 0.434 -14.852 643 HA VAL 81 HA VAL 81 -12.155 1.849 -12.287 644 HB VAL 81 HB VAL 81 -10.383 1.426 -14.712 645 1HG1 VAL 81 1HG1 VAL 81 -9.628 2.517 -11.992 646 2HG1 VAL 81 2HG1 VAL 81 -10.024 3.555 -13.362 647 3HG1 VAL 81 3HG1 VAL 81 -8.634 2.472 -13.447 648 1HG2 VAL 81 1HG2 VAL 81 -10.338 -0.649 -13.703 649 2HG2 VAL 81 2HG2 VAL 81 -10.789 -0.005 -12.124 650 3HG2 VAL 81 3HG2 VAL 81 -9.131 0.161 -12.704 651 HA PRO 82 HA PRO 82 -13.605 5.526 -14.299 652 1HB PRO 82 2HB PRO 82 -12.910 7.258 -12.281 653 2HB PRO 82 1HB PRO 82 -14.335 6.205 -12.219 654 1HG PRO 82 2HG PRO 82 -11.742 5.939 -10.772 655 2HG PRO 82 1HG PRO 82 -13.346 5.336 -10.321 656 1HD PRO 82 2HD PRO 82 -11.247 3.801 -11.451 657 2HD PRO 82 1HD PRO 82 -12.943 3.296 -11.284 658 HA PRO 83 HA PRO 83 -9.907 7.233 -16.029 659 1HB PRO 83 2HB PRO 83 -11.039 9.449 -17.199 660 2HB PRO 83 1HB PRO 83 -11.198 7.809 -17.852 661 1HG PRO 83 2HG PRO 83 -13.219 9.458 -16.408 662 2HG PRO 83 1HG PRO 83 -13.467 8.157 -17.584 663 1HD PRO 83 2HD PRO 83 -13.731 7.926 -14.774 664 2HD PRO 83 1HD PRO 83 -13.650 6.579 -15.931 665 H GLU 84 H GLU 84 -11.902 8.991 -13.778 666 HA GLU 84 HA GLU 84 -10.416 11.407 -13.551 667 1HB GLU 84 2HB GLU 84 -12.414 9.958 -11.963 668 2HB GLU 84 1HB GLU 84 -11.291 10.896 -10.978 669 1HG GLU 84 2HG GLU 84 -11.736 12.822 -12.638 670 2HG GLU 84 1HG GLU 84 -13.126 11.872 -13.166 671 H LEU 85 H LEU 85 -9.891 8.203 -12.151 672 HA LEU 85 HA LEU 85 -7.740 9.098 -10.403 673 1HB LEU 85 2HB LEU 85 -9.227 6.688 -10.832 674 2HB LEU 85 1HB LEU 85 -7.508 6.310 -10.958 675 HG LEU 85 HG LEU 85 -7.742 8.085 -8.779 676 1HD1 LEU 85 1HD1 LEU 85 -10.145 6.462 -9.147 677 2HD1 LEU 85 2HD1 LEU 85 -9.851 7.786 -8.019 678 3HD1 LEU 85 3HD1 LEU 85 -9.356 6.145 -7.601 679 1HD2 LEU 85 1HD2 LEU 85 -6.111 6.303 -8.899 680 2HD2 LEU 85 2HD2 LEU 85 -7.380 5.080 -8.975 681 3HD2 LEU 85 3HD2 LEU 85 -7.126 5.998 -7.490 682 H GLU 86 H GLU 86 -7.992 7.954 -13.706 683 HA GLU 86 HA GLU 86 -5.205 7.289 -14.044 684 1HB GLU 86 2HB GLU 86 -7.580 7.385 -15.680 685 2HB GLU 86 1HB GLU 86 -6.239 8.155 -16.529 686 1HG GLU 86 2HG GLU 86 -4.998 6.215 -16.626 687 2HG GLU 86 1HG GLU 86 -5.680 5.581 -15.126 688 H ALA 87 H ALA 87 -6.920 10.270 -13.847 689 HA ALA 87 HA ALA 87 -4.922 11.822 -15.327 690 1HB ALA 87 1HB ALA 87 -6.401 13.551 -15.151 691 2HB ALA 87 2HB ALA 87 -6.728 13.226 -13.449 692 3HB ALA 87 3HB ALA 87 -7.536 12.280 -14.698 693 H VAL 88 H VAL 88 -5.058 10.424 -12.268 694 HA VAL 88 HA VAL 88 -2.890 12.244 -11.327 695 HB VAL 88 HB VAL 88 -3.814 12.053 -9.016 696 1HG1 VAL 88 1HG1 VAL 88 -4.352 14.071 -10.169 697 2HG1 VAL 88 2HG1 VAL 88 -5.875 13.500 -9.488 698 3HG1 VAL 88 3HG1 VAL 88 -5.527 13.255 -11.199 699 1HG2 VAL 88 1HG2 VAL 88 -5.079 9.951 -9.400 700 2HG2 VAL 88 2HG2 VAL 88 -6.191 10.827 -10.452 701 3HG2 VAL 88 3HG2 VAL 88 -6.110 11.218 -8.734 702 H SER 89 H SER 89 -2.783 9.609 -12.601 703 HA SER 89 HA SER 89 -1.714 8.007 -10.309 704 1HB SER 89 2HB SER 89 -3.619 7.279 -12.254 705 2HB SER 89 1HB SER 89 -2.132 6.459 -12.723 706 HG SER 89 HG SER 89 -3.103 5.149 -11.250 707 H SER 90 H SER 90 0.430 7.457 -10.415 708 HA SER 90 HA SER 90 1.931 8.380 -12.811 709 1HB SER 90 2HB SER 90 2.476 8.981 -10.295 710 2HB SER 90 1HB SER 90 3.259 7.405 -10.304 711 HG SER 90 HG SER 90 3.715 9.259 -12.376 712 H GLU 91 H GLU 91 1.223 5.501 -10.904 713 HA GLU 91 HA GLU 91 2.523 3.889 -13.051 714 1HB GLU 91 2HB GLU 91 2.955 3.711 -10.077 715 2HB GLU 91 1HB GLU 91 3.135 2.279 -11.090 716 1HG GLU 91 2HG GLU 91 4.527 4.201 -12.507 717 2HG GLU 91 1HG GLU 91 4.893 4.611 -10.831 718 H VAL 92 H VAL 92 0.957 2.616 -13.912 719 HA VAL 92 HA VAL 92 -1.200 1.636 -12.081 720 HB VAL 92 HB VAL 92 -2.671 1.570 -14.065 721 1HG1 VAL 92 1HG1 VAL 92 -1.597 4.321 -14.262 722 2HG1 VAL 92 2HG1 VAL 92 -1.951 3.770 -12.625 723 3HG1 VAL 92 3HG1 VAL 92 -3.222 3.773 -13.848 724 1HG2 VAL 92 1HG2 VAL 92 -1.704 1.501 -16.101 725 2HG2 VAL 92 2HG2 VAL 92 -0.134 1.914 -15.411 726 3HG2 VAL 92 3HG2 VAL 92 -1.250 3.193 -15.892 727 H VAL 93 H VAL 93 -1.308 -0.559 -11.874 728 HA VAL 93 HA VAL 93 0.065 -2.202 -13.969 729 HB VAL 93 HB VAL 93 0.442 -3.827 -11.980 730 1HG1 VAL 93 1HG1 VAL 93 2.549 -2.725 -11.431 731 2HG1 VAL 93 2HG1 VAL 93 1.928 -1.183 -12.019 732 3HG1 VAL 93 3HG1 VAL 93 2.214 -2.507 -13.148 733 1HG2 VAL 93 1HG2 VAL 93 0.473 -2.850 -9.787 734 2HG2 VAL 93 2HG2 VAL 93 -1.097 -2.452 -10.485 735 3HG2 VAL 93 3HG2 VAL 93 0.178 -1.236 -10.434 736 H GLY 94 H GLY 94 -0.781 -4.495 -14.019 737 1HA GLY 94 2HA GLY 94 -3.738 -4.433 -13.724 738 2HA GLY 94 1HA GLY 94 -2.834 -5.567 -14.729 739 H TRP 95 H TRP 95 -3.717 -7.446 -13.782 740 HA TRP 95 HA TRP 95 -3.159 -7.820 -10.871 741 1HB TRP 95 2HB TRP 95 -5.400 -8.500 -12.547 742 2HB TRP 95 1HB TRP 95 -4.711 -9.973 -11.869 743 HD1 TRP 95 HD1 TRP 95 -6.288 -6.646 -10.840 744 HE1 TRP 95 HE1 TRP 95 -7.051 -6.814 -8.383 745 HE3 TRP 95 HE3 TRP 95 -4.324 -11.201 -9.620 746 HZ2 TRP 95 HZ2 TRP 95 -6.854 -8.642 -6.189 747 HZ3 TRP 95 HZ3 TRP 95 -4.626 -12.132 -7.341 748 HH2 TRP 95 HH2 TRP 95 -5.888 -10.858 -5.626 749 H ASN 96 H ASN 96 -0.844 -8.114 -11.856 750 HA ASN 96 HA ASN 96 -0.468 -11.040 -12.264 751 1HB ASN 96 2HB ASN 96 -0.002 -9.002 -14.238 752 2HB ASN 96 1HB ASN 96 1.543 -9.708 -13.765 753 1HD2 ASN 96 1HD2 ASN 96 1.718 -10.872 -15.828 754 2HD2 ASN 96 2HD2 ASN 96 0.748 -12.227 -16.151 755 HA PRO 97 HA PRO 97 2.692 -10.446 -9.274 756 1HB PRO 97 2HB PRO 97 4.174 -12.703 -9.796 757 2HB PRO 97 1HB PRO 97 2.616 -12.726 -8.950 758 1HG PRO 97 2HG PRO 97 3.248 -13.556 -11.743 759 2HG PRO 97 1HG PRO 97 1.944 -14.106 -10.678 760 1HD PRO 97 2HD PRO 97 1.683 -12.245 -12.797 761 2HD PRO 97 1HD PRO 97 0.479 -12.562 -11.530 762 H HIS 98 H HIS 98 3.816 -11.351 -12.547 763 HA HIS 98 HA HIS 98 6.478 -10.249 -12.108 764 1HB HIS 98 2HB HIS 98 4.985 -11.356 -14.471 765 2HB HIS 98 1HB HIS 98 6.496 -10.483 -14.719 766 HD1 HIS 98 HD1 HIS 98 8.620 -11.763 -14.324 767 HD2 HIS 98 HD2 HIS 98 5.320 -13.665 -12.629 768 HE1 HIS 98 HE1 HIS 98 9.445 -13.996 -13.460 769 H CYS 99 H CYS 99 3.441 -9.081 -13.457 770 HA CYS 99 HA CYS 99 4.572 -6.712 -14.678 771 1HB CYS 99 2HB CYS 99 2.163 -7.927 -14.873 772 2HB CYS 99 1HB CYS 99 1.756 -6.648 -13.729 773 HG CYS 99 HG CYS 99 2.857 -6.142 -16.610 774 H ILE 100 H ILE 100 3.026 -7.379 -11.538 775 HA ILE 100 HA ILE 100 2.991 -4.710 -10.566 776 HB ILE 100 HB ILE 100 3.262 -7.364 -9.135 777 1HG1 ILE 100 2HG1 ILE 100 0.912 -5.491 -9.051 778 2HG1 ILE 100 1HG1 ILE 100 1.139 -6.534 -10.456 779 1HG2 ILE 100 1HG2 ILE 100 2.852 -4.584 -7.991 780 2HG2 ILE 100 2HG2 ILE 100 4.244 -5.633 -7.718 781 3HG2 ILE 100 3HG2 ILE 100 2.662 -6.082 -7.081 782 1HD1 ILE 100 1HD1 ILE 100 1.402 -8.459 -8.767 783 2HD1 ILE 100 2HD1 ILE 100 -0.222 -7.807 -8.988 784 3HD1 ILE 100 3HD1 ILE 100 0.731 -7.346 -7.577 785 H ARG 101 H ARG 101 5.541 -7.192 -10.418 786 HA ARG 101 HA ARG 101 7.366 -5.666 -8.824 787 1HB ARG 101 2HB ARG 101 7.380 -8.205 -9.664 788 2HB ARG 101 1HB ARG 101 8.418 -7.522 -10.917 789 1HG ARG 101 2HG ARG 101 9.344 -6.369 -8.543 790 2HG ARG 101 1HG ARG 101 9.021 -8.050 -8.120 791 1HD ARG 101 2HD ARG 101 10.469 -7.442 -10.677 792 2HD ARG 101 1HD ARG 101 11.354 -7.383 -9.152 793 HE ARG 101 HE ARG 101 10.689 -9.771 -8.810 794 1HH1 ARG 101 2HH1 ARG 101 11.486 -8.522 -11.829 795 2HH1 ARG 101 1HH1 ARG 101 11.019 -9.928 -12.727 796 1HH2 ARG 101 1HH2 ARG 101 9.589 -11.520 -9.998 797 2HH2 ARG 101 2HH2 ARG 101 9.946 -11.625 -11.690 798 H ASP 102 H ASP 102 6.935 -5.927 -12.348 799 HA ASP 102 HA ASP 102 9.157 -4.375 -13.151 800 1HB ASP 102 2HB ASP 102 6.694 -5.334 -14.342 801 2HB ASP 102 1HB ASP 102 7.059 -3.701 -14.901 802 H ALA 103 H ALA 103 6.042 -3.379 -11.842 803 HA ALA 103 HA ALA 103 6.366 -0.576 -12.524 804 1HB ALA 103 1HB ALA 103 4.193 -1.884 -11.906 805 2HB ALA 103 2HB ALA 103 4.367 -0.221 -11.345 806 3HB ALA 103 3HB ALA 103 4.672 -1.562 -10.240 807 H LEU 104 H LEU 104 6.932 -2.507 -9.581 808 HA LEU 104 HA LEU 104 7.699 -0.342 -7.896 809 1HB LEU 104 2HB LEU 104 7.668 -3.198 -7.760 810 2HB LEU 104 1HB LEU 104 9.259 -2.642 -7.240 811 HG LEU 104 HG LEU 104 8.173 -1.049 -5.676 812 1HD1 LEU 104 1HD1 LEU 104 5.756 -2.125 -7.048 813 2HD1 LEU 104 2HD1 LEU 104 6.064 -0.507 -6.418 814 3HD1 LEU 104 3HD1 LEU 104 5.618 -1.811 -5.318 815 1HD2 LEU 104 1HD2 LEU 104 8.075 -2.658 -4.071 816 2HD2 LEU 104 2HD2 LEU 104 8.506 -3.765 -5.375 817 3HD2 LEU 104 3HD2 LEU 104 6.815 -3.554 -4.919 818 H GLU 105 H GLU 105 9.510 -2.199 -10.291 819 HA GLU 105 HA GLU 105 12.142 -1.489 -9.627 820 1HB GLU 105 2HB GLU 105 10.912 -1.679 -12.395 821 2HB GLU 105 1HB GLU 105 12.640 -1.715 -12.046 822 1HG GLU 105 2HG GLU 105 11.475 -3.630 -10.333 823 2HG GLU 105 1HG GLU 105 10.723 -3.872 -11.910 824 H ASP 106 H ASP 106 9.594 0.485 -10.997 825 HA ASP 106 HA ASP 106 11.265 2.628 -11.947 826 1HB ASP 106 2HB ASP 106 8.407 2.126 -11.564 827 2HB ASP 106 1HB ASP 106 8.853 3.798 -11.221 828 H ALA 107 H ALA 107 9.422 2.213 -8.907 829 HA ALA 107 HA ALA 107 10.141 4.631 -7.666 830 1HB ALA 107 1HB ALA 107 9.617 3.567 -5.571 831 2HB ALA 107 2HB ALA 107 9.943 1.967 -6.237 832 3HB ALA 107 3HB ALA 107 8.535 2.878 -6.781 833 H LEU 108 H LEU 108 11.923 1.546 -7.730 834 HA LEU 108 HA LEU 108 14.047 2.296 -6.010 835 1HB LEU 108 2HB LEU 108 13.454 0.135 -7.772 836 2HB LEU 108 1HB LEU 108 15.084 0.696 -8.148 837 HG LEU 108 HG LEU 108 15.710 0.527 -5.779 838 1HD1 LEU 108 1HD1 LEU 108 12.786 -0.100 -5.518 839 2HD1 LEU 108 2HD1 LEU 108 13.796 0.945 -4.518 840 3HD1 LEU 108 3HD1 LEU 108 13.922 -0.808 -4.370 841 1HD2 LEU 108 1HD2 LEU 108 15.216 -2.036 -5.554 842 2HD2 LEU 108 2HD2 LEU 108 16.200 -1.475 -6.906 843 3HD2 LEU 108 3HD2 LEU 108 14.497 -1.862 -7.155 844 H ASP 109 H ASP 109 13.716 2.718 -9.541 845 HA ASP 109 HA ASP 109 15.904 4.747 -9.356 846 1HB ASP 109 2HB ASP 109 16.259 2.389 -10.614 847 2HB ASP 109 1HB ASP 109 15.517 3.302 -11.929 848 H VAL 110 H VAL 110 15.044 6.710 -9.801 849 HA VAL 110 HA VAL 110 12.681 6.844 -11.618 850 HB VAL 110 HB VAL 110 13.762 8.921 -9.687 851 1HG1 VAL 110 1HG1 VAL 110 12.041 10.302 -10.342 852 2HG1 VAL 110 2HG1 VAL 110 10.982 8.956 -10.764 853 3HG1 VAL 110 3HG1 VAL 110 12.274 9.439 -11.862 854 1HG2 VAL 110 1HG2 VAL 110 11.987 8.277 -8.208 855 2HG2 VAL 110 2HG2 VAL 110 12.791 6.782 -8.688 856 3HG2 VAL 110 3HG2 VAL 110 11.258 7.236 -9.432 857 H ILE 111 HN ILE 111 12.740 8.236 -13.429 858 HA ILE 111 HA ILE 111 15.288 8.622 -14.673 859 HB ILE 111 HB ILE 111 13.093 8.442 -15.883 860 1HG1 ILE 111 2HG1 ILE 111 14.338 11.067 -16.642 861 2HG1 ILE 111 1HG1 ILE 111 15.321 9.603 -16.711 862 1HG2 ILE 111 1HG2 ILE 111 11.616 10.330 -15.982 863 2HG2 ILE 111 2HG2 ILE 111 12.760 11.351 -15.110 864 3HG2 ILE 111 3HG2 ILE 111 11.933 10.037 -14.273 865 1HD1 ILE 111 1HD1 ILE 111 13.092 10.449 -18.442 866 2HD1 ILE 111 2HD1 ILE 111 13.005 8.767 -17.919 867 3HD1 ILE 111 3HD1 ILE 111 14.427 9.350 -18.783 Start of MODEL 6 1 1H VAL 1 1H VAL 1 20.976 -10.757 -1.422 2 2H VAL 1 2H VAL 1 22.109 -10.796 -2.688 3 3H VAL 1 3H VAL 1 20.577 -10.104 -2.936 4 HA VAL 1 HA VAL 1 22.911 -9.019 -1.541 5 HB VAL 1 HB VAL 1 22.233 -6.996 -2.700 6 1HG1 VAL 1 1HG1 VAL 1 21.695 -9.168 -4.714 7 2HG1 VAL 1 2HG1 VAL 1 23.280 -9.046 -3.950 8 3HG1 VAL 1 3HG1 VAL 1 22.653 -7.698 -4.898 9 1HG2 VAL 1 1HG2 VAL 1 20.086 -6.585 -3.271 10 2HG2 VAL 1 2HG2 VAL 1 19.662 -8.089 -2.453 11 3HG2 VAL 1 3HG2 VAL 1 19.980 -8.088 -4.187 12 H THR 2 H THR 2 21.273 -6.523 -1.155 13 HA THR 2 HA THR 2 19.326 -7.277 0.916 14 HB THR 2 HB THR 2 21.286 -7.411 2.277 15 HG1 THR 2 HG1 THR 2 20.818 -4.774 2.856 16 1HG2 THR 2 1HG2 THR 2 22.142 -4.756 1.092 17 2HG2 THR 2 2HG2 THR 2 22.795 -6.322 0.614 18 3HG2 THR 2 3HG2 THR 2 23.047 -5.726 2.254 19 H ALA 3 H ALA 3 17.712 -5.990 0.100 20 HA ALA 3 HA ALA 3 18.078 -3.083 0.248 21 1HB ALA 3 1HB ALA 3 17.035 -2.990 -2.186 22 2HB ALA 3 2HB ALA 3 17.832 -4.555 -2.351 23 3HB ALA 3 3HB ALA 3 18.780 -3.119 -1.967 24 H GLU 4 H GLU 4 16.275 -2.515 1.357 25 HA GLU 4 HA GLU 4 13.750 -4.010 0.802 26 1HB GLU 4 2HB GLU 4 13.000 -3.243 3.002 27 2HB GLU 4 1HB GLU 4 14.570 -4.033 3.155 28 1HG GLU 4 2HG GLU 4 15.263 -1.408 2.635 29 2HG GLU 4 1HG GLU 4 13.834 -1.238 3.656 30 H ILE 5 H ILE 5 11.846 -2.833 0.342 31 HA ILE 5 HA ILE 5 12.284 0.066 -0.261 32 HB ILE 5 HB ILE 5 10.343 -1.782 -1.675 33 1HG1 ILE 5 2HG1 ILE 5 13.007 -0.818 -2.739 34 2HG1 ILE 5 1HG1 ILE 5 12.828 -2.377 -1.932 35 1HG2 ILE 5 1HG2 ILE 5 10.295 0.031 -3.332 36 2HG2 ILE 5 2HG2 ILE 5 11.470 0.945 -2.386 37 3HG2 ILE 5 3HG2 ILE 5 9.855 0.651 -1.740 38 1HD1 ILE 5 1HD1 ILE 5 11.693 -3.301 -3.683 39 2HD1 ILE 5 2HD1 ILE 5 12.480 -2.023 -4.609 40 3HD1 ILE 5 3HD1 ILE 5 10.825 -1.807 -4.038 41 H ARG 6 H ARG 6 10.737 1.490 0.516 42 HA ARG 6 HA ARG 6 8.752 0.350 2.393 43 1HB ARG 6 2HB ARG 6 10.086 2.977 2.021 44 2HB ARG 6 1HB ARG 6 8.427 3.030 2.618 45 1HG ARG 6 2HG ARG 6 9.015 2.206 4.641 46 2HG ARG 6 1HG ARG 6 10.048 0.967 3.927 47 1HD ARG 6 2HD ARG 6 11.894 2.450 3.754 48 2HD ARG 6 1HD ARG 6 10.880 3.870 4.011 49 HE ARG 6 HE ARG 6 12.161 2.474 6.087 50 1HH1 ARG 6 2HH1 ARG 6 9.344 4.216 5.316 51 2HH1 ARG 6 1HH1 ARG 6 8.616 4.032 6.877 52 1HH2 ARG 6 1HH2 ARG 6 11.073 1.890 8.063 53 2HH2 ARG 6 2HH2 ARG 6 9.594 2.715 8.432 54 H LEU 7 H LEU 7 6.813 -0.168 1.492 55 HA LEU 7 HA LEU 7 5.698 1.710 -0.554 56 1HB LEU 7 2HB LEU 7 5.450 -1.300 -0.327 57 2HB LEU 7 1HB LEU 7 4.414 -0.327 -1.371 58 HG LEU 7 HG LEU 7 6.878 0.626 -2.060 59 1HD1 LEU 7 1HD1 LEU 7 7.450 -2.277 -2.103 60 2HD1 LEU 7 2HD1 LEU 7 7.555 -1.517 -0.515 61 3HD1 LEU 7 3HD1 LEU 7 8.543 -0.917 -1.847 62 1HD2 LEU 7 1HD2 LEU 7 6.630 -0.757 -4.078 63 2HD2 LEU 7 2HD2 LEU 7 5.058 -0.140 -3.571 64 3HD2 LEU 7 3HD2 LEU 7 5.500 -1.813 -3.231 65 H TYR 8 H TYR 8 3.393 2.056 -0.441 66 HA TYR 8 HA TYR 8 2.184 1.269 2.181 67 1HB TYR 8 2HB TYR 8 2.624 3.601 2.374 68 2HB TYR 8 1HB TYR 8 2.113 3.914 0.716 69 HD1 TYR 8 HD1 TYR 8 1.007 3.338 4.166 70 HD2 TYR 8 HD2 TYR 8 -0.277 3.875 0.100 71 HE1 TYR 8 HE1 TYR 8 -1.309 3.760 4.954 72 HE2 TYR 8 HE2 TYR 8 -2.592 4.298 0.887 73 HH TYR 8 HH TYR 8 -3.513 5.240 3.468 74 H ILE 9 H ILE 9 0.667 -0.245 1.644 75 HA ILE 9 HA ILE 9 -0.966 0.227 -0.812 76 HB ILE 9 HB ILE 9 -1.054 -2.366 0.681 77 1HG1 ILE 9 2HG1 ILE 9 1.224 -1.476 -1.120 78 2HG1 ILE 9 1HG1 ILE 9 1.348 -1.878 0.593 79 1HG2 ILE 9 1HG2 ILE 9 -1.270 -3.228 -1.628 80 2HG2 ILE 9 2HG2 ILE 9 -1.036 -1.597 -2.255 81 3HG2 ILE 9 3HG2 ILE 9 -2.468 -1.977 -1.300 82 1HD1 ILE 9 1HD1 ILE 9 0.137 -4.126 -0.388 83 2HD1 ILE 9 2HD1 ILE 9 1.879 -3.958 -0.167 84 3HD1 ILE 9 3HD1 ILE 9 1.159 -3.665 -1.750 85 H THR 10 H THR 10 -3.214 0.336 -0.632 86 HA THR 10 HA THR 10 -4.412 1.364 1.664 87 HB THR 10 HB THR 10 -5.953 -0.485 -0.148 88 HG1 THR 10 HG1 THR 10 -6.053 1.364 -1.565 89 1HG2 THR 10 1HG2 THR 10 -6.927 2.219 0.439 90 2HG2 THR 10 2HG2 THR 10 -6.677 1.238 1.884 91 3HG2 THR 10 3HG2 THR 10 -7.748 0.668 0.604 92 H GLU 11 H GLU 11 -5.523 0.455 3.438 93 HA GLU 11 HA GLU 11 -4.834 -2.390 3.977 94 1HB GLU 11 2HB GLU 11 -4.972 0.022 5.583 95 2HB GLU 11 1HB GLU 11 -5.971 -1.253 6.280 96 1HG GLU 11 2HG GLU 11 -3.058 -1.524 5.481 97 2HG GLU 11 1HG GLU 11 -3.667 -1.404 7.132 98 H GLY 12 H GLY 12 -6.421 -3.897 3.869 99 1HA GLY 12 2HA GLY 12 -9.159 -3.293 4.680 100 2HA GLY 12 1HA GLY 12 -8.993 -3.553 2.943 101 H GLU 13 H GLU 13 -10.558 -5.382 3.973 102 HA GLU 13 HA GLU 13 -8.813 -7.751 4.521 103 1HB GLU 13 2HB GLU 13 -11.429 -6.879 5.646 104 2HB GLU 13 1HB GLU 13 -11.219 -8.607 5.368 105 1HG GLU 13 2HG GLU 13 -10.337 -8.438 7.502 106 2HG GLU 13 1HG GLU 13 -8.880 -8.165 6.547 107 H VAL 14 H VAL 14 -10.703 -6.298 2.187 108 HA VAL 14 HA VAL 14 -12.325 -8.287 1.089 109 HB VAL 14 HB VAL 14 -11.437 -7.270 -1.188 110 1HG1 VAL 14 1HG1 VAL 14 -13.016 -5.909 0.991 111 2HG1 VAL 14 2HG1 VAL 14 -13.609 -6.686 -0.478 112 3HG1 VAL 14 3HG1 VAL 14 -12.779 -5.133 -0.575 113 1HG2 VAL 14 1HG2 VAL 14 -9.431 -6.317 0.199 114 2HG2 VAL 14 2HG2 VAL 14 -10.584 -5.076 0.692 115 3HG2 VAL 14 3HG2 VAL 14 -10.190 -5.287 -1.015 116 H GLU 15 H GLU 15 -11.763 -9.595 -0.969 117 HA GLU 15 HA GLU 15 -9.548 -11.371 -0.297 118 1HB GLU 15 2HB GLU 15 -10.284 -12.630 -2.305 119 2HB GLU 15 1HB GLU 15 -11.636 -12.273 -1.230 120 1HG GLU 15 2HG GLU 15 -11.682 -10.057 -2.794 121 2HG GLU 15 1HG GLU 15 -11.059 -11.237 -3.948 122 H ASP 16 H ASP 16 -9.970 -8.595 -2.304 123 HA ASP 16 HA ASP 16 -7.955 -9.149 -4.273 124 1HB ASP 16 2HB ASP 16 -9.062 -6.553 -3.174 125 2HB ASP 16 1HB ASP 16 -7.901 -6.622 -4.502 126 H TYR 17 H TYR 17 -7.819 -7.282 -1.222 127 HA TYR 17 HA TYR 17 -5.007 -6.760 -1.351 128 1HB TYR 17 2HB TYR 17 -6.659 -5.599 0.163 129 2HB TYR 17 1HB TYR 17 -6.689 -7.058 1.153 130 HD1 TYR 17 HD1 TYR 17 -5.075 -7.382 2.831 131 HD2 TYR 17 HD2 TYR 17 -4.332 -4.542 -0.308 132 HE1 TYR 17 HE1 TYR 17 -3.015 -6.636 3.994 133 HE2 TYR 17 HE2 TYR 17 -2.270 -3.797 0.855 134 HH TYR 17 HH TYR 17 -1.089 -5.453 3.743 135 H ARG 18 H ARG 18 -6.862 -9.535 -0.293 136 HA ARG 18 HA ARG 18 -4.792 -10.816 1.235 137 1HB ARG 18 2HB ARG 18 -7.462 -11.408 0.402 138 2HB ARG 18 1HB ARG 18 -6.439 -12.776 -0.036 139 1HG ARG 18 2HG ARG 18 -7.246 -13.111 2.230 140 2HG ARG 18 1HG ARG 18 -5.518 -12.764 2.295 141 1HD ARG 18 2HD ARG 18 -7.266 -10.383 2.409 142 2HD ARG 18 1HD ARG 18 -7.391 -11.463 3.798 143 HE ARG 18 HE ARG 18 -4.960 -9.979 2.975 144 1HH1 ARG 18 1HH2 ARG 18 -6.541 -10.220 5.692 145 2HH1 ARG 18 2HH2 ARG 18 -5.350 -11.052 6.635 146 1HH2 ARG 18 2HH1 ARG 18 -3.414 -11.935 3.897 147 2HH2 ARG 18 1HH1 ARG 18 -3.580 -12.024 5.618 148 H VAL 19 H VAL 19 -5.935 -11.523 -2.093 149 HA VAL 19 HA VAL 19 -3.837 -13.314 -2.748 150 HB VAL 19 HB VAL 19 -5.273 -11.430 -4.642 151 1HG1 VAL 19 1HG1 VAL 19 -4.445 -14.189 -5.387 152 2HG1 VAL 19 2HG1 VAL 19 -3.155 -12.999 -5.214 153 3HG1 VAL 19 3HG1 VAL 19 -4.465 -12.719 -6.361 154 1HG2 VAL 19 1HG2 VAL 19 -7.109 -12.799 -4.581 155 2HG2 VAL 19 2HG2 VAL 19 -6.513 -13.165 -2.962 156 3HG2 VAL 19 3HG2 VAL 19 -6.143 -14.248 -4.303 157 H PHE 20 H PHE 20 -4.071 -9.795 -3.355 158 HA PHE 20 HA PHE 20 -1.607 -9.439 -4.659 159 1HB PHE 20 2HB PHE 20 -3.557 -7.754 -3.901 160 2HB PHE 20 1HB PHE 20 -2.385 -7.399 -2.633 161 HD1 PHE 20 HD1 PHE 20 -2.104 -8.234 -6.287 162 HD2 PHE 20 HD2 PHE 20 -1.156 -5.480 -3.126 163 HE1 PHE 20 HE1 PHE 20 -0.799 -6.851 -7.881 164 HE2 PHE 20 HE2 PHE 20 0.151 -4.100 -4.721 165 HZ PHE 20 HZ PHE 20 0.329 -4.785 -7.098 166 H LEU 21 H LEU 21 -2.282 -9.722 -1.187 167 HA LEU 21 HA LEU 21 0.384 -9.069 -0.322 168 1HB LEU 21 2HB LEU 21 -2.063 -9.704 0.910 169 2HB LEU 21 1HB LEU 21 -0.940 -10.961 1.431 170 HG LEU 21 HG LEU 21 -0.785 -9.104 2.987 171 1HD1 LEU 21 1HD1 LEU 21 1.576 -8.685 2.872 172 2HD1 LEU 21 2HD1 LEU 21 1.596 -8.921 1.125 173 3HD1 LEU 21 3HD1 LEU 21 1.320 -10.294 2.197 174 1HD2 LEU 21 1HD2 LEU 21 -0.009 -6.859 2.092 175 2HD2 LEU 21 2HD2 LEU 21 -1.658 -7.300 1.648 176 3HD2 LEU 21 3HD2 LEU 21 -0.354 -7.467 0.472 177 H GLU 22 H GLU 22 -1.224 -12.275 -0.419 178 HA GLU 22 HA GLU 22 1.052 -13.844 0.039 179 1HB GLU 22 2HB GLU 22 -1.532 -14.282 -1.389 180 2HB GLU 22 1HB GLU 22 -0.252 -15.470 -1.641 181 1HG GLU 22 2HG GLU 22 -0.028 -15.723 0.819 182 2HG GLU 22 1HG GLU 22 -1.358 -14.586 1.040 183 H ARG 23 H ARG 23 0.186 -12.045 -2.813 184 HA ARG 23 HA ARG 23 1.920 -13.489 -4.637 185 1HB ARG 23 2HB ARG 23 0.328 -10.977 -4.697 186 2HB ARG 23 1HB ARG 23 1.700 -11.063 -5.803 187 1HG ARG 23 2HG ARG 23 0.366 -13.577 -5.911 188 2HG ARG 23 1HG ARG 23 -0.863 -12.320 -6.057 189 1HD ARG 23 2HD ARG 23 1.029 -11.292 -7.692 190 2HD ARG 23 1HD ARG 23 1.363 -13.011 -7.896 191 HE ARG 23 HE ARG 23 -1.263 -11.719 -8.498 192 1HH1 ARG 23 1HH2 ARG 23 -0.444 -14.787 -7.842 193 2HH1 ARG 23 2HH2 ARG 23 -0.679 -15.435 -9.431 194 1HH2 ARG 23 2HH1 ARG 23 -0.935 -12.328 -10.949 195 2HH2 ARG 23 1HH1 ARG 23 -0.958 -14.043 -11.190 196 H LEU 24 H LEU 24 2.229 -10.357 -2.927 197 HA LEU 24 HA LEU 24 4.997 -10.022 -3.738 198 1HB LEU 24 2HB LEU 24 3.141 -8.641 -1.824 199 2HB LEU 24 1HB LEU 24 4.873 -8.318 -1.727 200 HG LEU 24 HG LEU 24 4.018 -8.274 -4.486 201 1HD1 LEU 24 1HD1 LEU 24 2.401 -6.708 -2.489 202 2HD1 LEU 24 2HD1 LEU 24 1.851 -7.581 -3.920 203 3HD1 LEU 24 3HD1 LEU 24 2.705 -6.047 -4.096 204 1HD2 LEU 24 1HD2 LEU 24 5.403 -6.433 -4.535 205 2HD2 LEU 24 2HD2 LEU 24 5.959 -7.133 -3.015 206 3HD2 LEU 24 3HD2 LEU 24 4.797 -5.807 -3.001 207 H GLU 25 H GLU 25 3.528 -12.087 -1.542 208 HA GLU 25 HA GLU 25 5.545 -12.005 0.559 209 1HB GLU 25 2HB GLU 25 3.121 -12.851 0.755 210 2HB GLU 25 1HB GLU 25 3.695 -14.318 -0.036 211 1HG GLU 25 2HG GLU 25 5.603 -14.099 1.839 212 2HG GLU 25 1HG GLU 25 4.294 -13.277 2.691 213 H GLN 26 H GLN 26 4.707 -14.610 -1.760 214 HA GLN 26 HA GLN 26 7.205 -15.980 -1.393 215 1HB GLN 26 2HB GLN 26 5.251 -16.115 -3.709 216 2HB GLN 26 1HB GLN 26 6.528 -17.285 -3.378 217 1HG GLN 26 2HG GLN 26 5.363 -18.267 -1.692 218 2HG GLN 26 1HG GLN 26 4.765 -16.724 -1.080 219 1HE2 GLN 26 1HE2 GLN 26 4.149 -19.268 -3.497 220 2HE2 GLN 26 2HE2 GLN 26 2.547 -18.809 -3.815 221 H SER 27 H SER 27 6.518 -13.090 -2.993 222 HA SER 27 HA SER 27 8.049 -13.155 -5.341 223 1HB SER 27 2HB SER 27 7.197 -11.084 -3.437 224 2HB SER 27 1HB SER 27 8.689 -10.688 -4.283 225 HG SER 27 HG SER 27 7.646 -10.851 -6.203 226 H GLY 28 H GLY 28 9.252 -12.207 -2.095 227 1HA GLY 28 2HA GLY 28 11.375 -13.375 -1.367 228 2HA GLY 28 1HA GLY 28 11.962 -13.096 -3.007 229 H LEU 29 H LEU 29 10.674 -10.384 -3.053 230 HA LEU 29 HA LEU 29 12.922 -8.858 -2.182 231 1HB LEU 29 2HB LEU 29 10.233 -8.299 -3.264 232 2HB LEU 29 1HB LEU 29 10.896 -7.016 -2.252 233 HG LEU 29 HG LEU 29 12.938 -6.969 -3.603 234 1HD1 LEU 29 1HD1 LEU 29 11.591 -9.054 -5.344 235 2HD1 LEU 29 2HD1 LEU 29 12.859 -9.422 -4.174 236 3HD1 LEU 29 3HD1 LEU 29 13.208 -8.380 -5.554 237 1HD2 LEU 29 1HD2 LEU 29 11.193 -6.868 -5.889 238 2HD2 LEU 29 2HD2 LEU 29 11.871 -5.527 -4.967 239 3HD2 LEU 29 3HD2 LEU 29 10.334 -6.243 -4.481 240 H GLU 30 H GLU 30 13.107 -7.408 -0.376 241 HA GLU 30 HA GLU 30 11.534 -8.316 1.981 242 1HB GLU 30 2HB GLU 30 14.219 -8.028 1.710 243 2HB GLU 30 1HB GLU 30 13.801 -6.432 2.336 244 1HG GLU 30 2HG GLU 30 14.176 -7.729 4.279 245 2HG GLU 30 1HG GLU 30 12.420 -7.704 4.113 246 H TRP 31 H TRP 31 10.009 -6.731 0.382 247 HA TRP 31 HA TRP 31 10.275 -3.912 1.118 248 1HB TRP 31 2HB TRP 31 8.232 -3.592 -0.159 249 2HB TRP 31 1HB TRP 31 9.290 -4.676 -1.062 250 HD1 TRP 31 HD1 TRP 31 8.733 -7.350 -0.842 251 HE1 TRP 31 HE1 TRP 31 6.459 -8.534 -0.572 252 HE3 TRP 31 HE3 TRP 31 5.890 -3.429 0.776 253 HZ2 TRP 31 HZ2 TRP 31 3.783 -7.898 0.228 254 HZ3 TRP 31 HZ3 TRP 31 3.484 -3.742 1.285 255 HH2 TRP 31 HH2 TRP 31 2.428 -5.971 1.014 256 H ARG 32 H ARG 32 8.595 -2.760 2.352 257 HA ARG 32 HA ARG 32 6.939 -4.468 4.130 258 1HB ARG 32 2HB ARG 32 9.084 -2.538 5.032 259 2HB ARG 32 1HB ARG 32 7.748 -3.009 6.085 260 1HG ARG 32 2HG ARG 32 8.789 -5.387 4.907 261 2HG ARG 32 1HG ARG 32 10.155 -4.456 5.524 262 1HD ARG 32 2HD ARG 32 9.593 -4.896 7.662 263 2HD ARG 32 1HD ARG 32 7.917 -4.418 7.385 264 HE ARG 32 HE ARG 32 8.127 -6.921 6.191 265 1HH1 ARG 32 2HH1 ARG 32 9.821 -6.213 8.982 266 2HH1 ARG 32 1HH1 ARG 32 9.011 -7.368 9.987 267 1HH2 ARG 32 1HH2 ARG 32 6.605 -8.142 7.612 268 2HH2 ARG 32 2HH2 ARG 32 7.190 -8.460 9.212 269 HA PRO 33 HA PRO 33 4.087 -1.165 3.644 270 1HB PRO 33 2HB PRO 33 2.603 -1.518 5.933 271 2HB PRO 33 1HB PRO 33 2.494 -2.584 4.521 272 1HG PRO 33 2HG PRO 33 3.807 -3.083 7.152 273 2HG PRO 33 1HG PRO 33 3.127 -4.243 6.000 274 1HD PRO 33 2HD PRO 33 5.877 -3.660 6.338 275 2HD PRO 33 1HD PRO 33 5.158 -4.555 4.982 276 H ALA 34 H ALA 34 4.227 1.020 4.077 277 HA ALA 34 HA ALA 34 5.282 1.841 6.754 278 1HB ALA 34 1HB ALA 34 5.931 3.811 4.787 279 2HB ALA 34 2HB ALA 34 6.467 2.242 4.185 280 3HB ALA 34 3HB ALA 34 7.035 2.827 5.749 281 H THR 35 H THR 35 4.783 4.289 7.098 282 HA THR 35 HA THR 35 1.977 4.671 7.096 283 HB THR 35 HB THR 35 2.804 7.215 7.269 284 HG1 THR 35 HG1 THR 35 4.923 6.720 6.638 285 1HG2 THR 35 1HG2 THR 35 3.723 6.066 9.681 286 2HG2 THR 35 2HG2 THR 35 2.445 5.005 9.086 287 3HG2 THR 35 3HG2 THR 35 2.118 6.718 9.350 288 HA PRO 36 HA PRO 36 1.072 6.180 3.076 289 1HB PRO 36 2HB PRO 36 -0.973 7.921 3.658 290 2HB PRO 36 1HB PRO 36 -1.147 6.158 3.702 291 1HG PRO 36 2HG PRO 36 -0.947 8.080 5.972 292 2HG PRO 36 1HG PRO 36 -1.715 6.487 5.917 293 1HD PRO 36 2HD PRO 36 0.814 7.074 7.051 294 2HD PRO 36 1HD PRO 36 0.174 5.453 6.702 295 H GLU 37 H GLU 37 2.631 8.104 5.293 296 HA GLU 37 HA GLU 37 2.754 10.385 3.359 297 1HB GLU 37 2HB GLU 37 3.111 11.890 5.268 298 2HB GLU 37 1HB GLU 37 1.587 11.020 5.455 299 1HG GLU 37 2HG GLU 37 2.565 9.481 7.025 300 2HG GLU 37 1HG GLU 37 4.187 10.094 6.701 301 H ASP 38 H ASP 38 4.443 7.834 4.043 302 HA ASP 38 HA ASP 38 7.015 9.166 3.613 303 1HB ASP 38 2HB ASP 38 6.209 8.323 6.270 304 2HB ASP 38 1HB ASP 38 7.632 7.427 5.734 305 H ALA 39 H ALA 39 5.426 7.322 2.093 306 HA ALA 39 HA ALA 39 6.993 4.792 2.320 307 1HB ALA 39 1HB ALA 39 4.241 5.433 1.565 308 2HB ALA 39 2HB ALA 39 4.935 3.889 2.058 309 3HB ALA 39 3HB ALA 39 5.041 4.406 0.376 310 H ASP 40 H ASP 40 8.468 4.310 0.750 311 HA ASP 40 HA ASP 40 9.393 6.199 -1.117 312 1HB ASP 40 2HB ASP 40 9.550 3.172 -1.172 313 2HB ASP 40 1HB ASP 40 10.438 4.213 -2.284 314 H ALA 41 H ALA 41 6.918 3.694 -1.492 315 HA ALA 41 HA ALA 41 6.029 5.076 -3.971 316 1HB ALA 41 1HB ALA 41 7.459 2.750 -4.136 317 2HB ALA 41 2HB ALA 41 6.262 3.260 -5.327 318 3HB ALA 41 3HB ALA 41 5.810 2.131 -4.051 319 H VAL 42 H VAL 42 3.856 5.404 -3.909 320 HA VAL 42 HA VAL 42 2.307 4.057 -1.768 321 HB VAL 42 HB VAL 42 1.537 6.339 -3.614 322 1HG1 VAL 42 1HG1 VAL 42 0.241 5.300 -1.075 323 2HG1 VAL 42 2HG1 VAL 42 -0.377 5.040 -2.706 324 3HG1 VAL 42 3HG1 VAL 42 -0.312 6.671 -2.035 325 1HG2 VAL 42 1HG2 VAL 42 2.328 6.418 -0.687 326 2HG2 VAL 42 2HG2 VAL 42 2.019 7.795 -1.745 327 3HG2 VAL 42 3HG2 VAL 42 3.441 6.785 -2.006 328 H ILE 43 H ILE 43 1.432 2.135 -2.407 329 HA ILE 43 HA ILE 43 0.540 1.834 -5.224 330 HB ILE 43 HB ILE 43 0.889 -0.169 -2.975 331 1HG1 ILE 43 2HG1 ILE 43 2.321 0.067 -5.636 332 2HG1 ILE 43 1HG1 ILE 43 2.931 0.789 -4.147 333 1HG2 ILE 43 1HG2 ILE 43 -0.834 -0.315 -5.216 334 2HG2 ILE 43 2HG2 ILE 43 -0.372 -1.631 -4.136 335 3HG2 ILE 43 3HG2 ILE 43 0.561 -1.322 -5.602 336 1HD1 ILE 43 1HD1 ILE 43 3.628 -1.685 -4.913 337 2HD1 ILE 43 2HD1 ILE 43 2.151 -2.085 -4.038 338 3HD1 ILE 43 3HD1 ILE 43 3.463 -1.244 -3.213 339 H VAL 44 H VAL 44 -1.493 2.697 -5.443 340 HA VAL 44 HA VAL 44 -3.469 2.433 -3.284 341 HB VAL 44 HB VAL 44 -3.940 3.490 -6.079 342 1HG1 VAL 44 1HG1 VAL 44 -5.998 3.301 -4.961 343 2HG1 VAL 44 2HG1 VAL 44 -5.522 4.964 -4.620 344 3HG1 VAL 44 3HG1 VAL 44 -5.294 3.713 -3.397 345 1HG2 VAL 44 1HG2 VAL 44 -2.710 5.328 -5.626 346 2HG2 VAL 44 2HG2 VAL 44 -2.052 4.459 -4.240 347 3HG2 VAL 44 3HG2 VAL 44 -3.458 5.505 -4.038 348 H LEU 45 H LEU 45 -5.178 1.003 -3.274 349 HA LEU 45 HA LEU 45 -5.199 -1.037 -5.447 350 1HB LEU 45 2HB LEU 45 -5.784 -1.055 -2.538 351 2HB LEU 45 1HB LEU 45 -6.847 -2.048 -3.536 352 HG LEU 45 HG LEU 45 -4.744 -3.203 -2.660 353 1HD1 LEU 45 1HD1 LEU 45 -4.233 -4.176 -4.980 354 2HD1 LEU 45 2HD1 LEU 45 -5.408 -3.017 -5.603 355 3HD1 LEU 45 3HD1 LEU 45 -5.913 -4.252 -4.450 356 1HD2 LEU 45 1HD2 LEU 45 -3.266 -1.897 -4.904 357 2HD2 LEU 45 2HD2 LEU 45 -2.650 -2.564 -3.391 358 3HD2 LEU 45 3HD2 LEU 45 -3.435 -0.985 -3.404 359 H ALA 46 H ALA 46 -6.762 -0.741 -6.965 360 HA ALA 46 HA ALA 46 -8.973 1.086 -6.563 361 1HB ALA 46 1HB ALA 46 -9.587 -0.583 -8.747 362 2HB ALA 46 2HB ALA 46 -7.829 -0.435 -8.749 363 3HB ALA 46 3HB ALA 46 -8.836 1.011 -8.812 364 H GLY 47 H GLY 47 -8.475 -2.236 -5.834 365 1HA GLY 47 2HA GLY 47 -11.112 -3.264 -6.083 366 2HA GLY 47 1HA GLY 47 -9.915 -3.852 -4.928 367 H LEU 48 H LEU 48 -9.845 -0.886 -3.945 368 HA LEU 48 HA LEU 48 -12.306 -1.117 -2.256 369 1HB LEU 48 2HB LEU 48 -9.588 0.008 -1.511 370 2HB LEU 48 1HB LEU 48 -11.005 -0.008 -0.462 371 HG LEU 48 HG LEU 48 -11.019 -2.582 -0.986 372 1HD1 LEU 48 1HD1 LEU 48 -8.441 -1.632 -2.071 373 2HD1 LEU 48 2HD1 LEU 48 -9.344 -3.101 -2.437 374 3HD1 LEU 48 3HD1 LEU 48 -8.319 -3.030 -1.004 375 1HD2 LEU 48 1HD2 LEU 48 -8.910 -1.338 0.810 376 2HD2 LEU 48 2HD2 LEU 48 -9.590 -2.956 0.979 377 3HD2 LEU 48 3HD2 LEU 48 -10.610 -1.540 1.235 378 H TRP 49 H TRP 49 -12.292 0.276 -4.741 379 HA TRP 49 HA TRP 49 -11.894 3.126 -4.181 380 1HB TRP 49 2HB TRP 49 -11.544 2.255 -6.457 381 2HB TRP 49 1HB TRP 49 -13.227 1.730 -6.524 382 HD1 TRP 49 HD1 TRP 49 -15.110 3.618 -6.642 383 HE1 TRP 49 HE1 TRP 49 -15.018 6.078 -7.412 384 HE3 TRP 49 HE3 TRP 49 -10.060 4.374 -6.561 385 HZ2 TRP 49 HZ2 TRP 49 -13.056 8.100 -7.925 386 HZ3 TRP 49 HZ3 TRP 49 -9.106 6.573 -7.192 387 HH2 TRP 49 HH2 TRP 49 -10.596 8.435 -7.874 388 H GLY 50 H GLY 50 -14.543 0.820 -4.166 389 1HA GLY 50 2HA GLY 50 -16.468 3.031 -3.636 390 2HA GLY 50 1HA GLY 50 -16.913 1.379 -4.066 391 H THR 51 H THR 51 -14.541 2.368 -1.617 392 HA THR 51 HA THR 51 -16.411 1.441 0.506 393 HB THR 51 HB THR 51 -14.994 -0.190 1.331 394 HG1 THR 51 HG1 THR 51 -12.824 -0.050 1.240 395 1HG2 THR 51 1HG2 THR 51 -15.645 -0.888 -0.927 396 2HG2 THR 51 2HG2 THR 51 -14.020 -1.467 -0.557 397 3HG2 THR 51 3HG2 THR 51 -14.241 -0.063 -1.602 398 H ARG 52 H ARG 52 -13.157 2.814 -0.103 399 HA ARG 52 HA ARG 52 -13.725 4.767 2.088 400 1HB ARG 52 2HB ARG 52 -11.207 3.173 1.576 401 2HB ARG 52 1HB ARG 52 -11.200 4.654 2.536 402 1HG ARG 52 2HG ARG 52 -13.024 3.627 3.959 403 2HG ARG 52 1HG ARG 52 -12.748 2.113 3.097 404 1HD ARG 52 2HD ARG 52 -10.782 1.712 4.172 405 2HD ARG 52 1HD ARG 52 -10.305 3.410 4.136 406 HE ARG 52 HE ARG 52 -12.146 3.599 6.021 407 1HH1 ARG 52 2HH1 ARG 52 -9.378 3.009 6.958 408 2HH1 ARG 52 1HH1 ARG 52 -9.605 1.583 7.915 409 1HH2 ARG 52 1HH2 ARG 52 -12.728 0.868 6.590 410 2HH2 ARG 52 2HH2 ARG 52 -11.500 0.371 7.706 411 H ARG 53 H ARG 53 -14.388 5.794 -0.163 412 HA ARG 53 HA ARG 53 -12.565 6.620 -2.105 413 1HB ARG 53 2HB ARG 53 -15.027 7.113 -2.095 414 2HB ARG 53 1HB ARG 53 -14.723 8.377 -0.903 415 1HG ARG 53 2HG ARG 53 -13.686 9.760 -2.426 416 2HG ARG 53 1HG ARG 53 -13.074 8.414 -3.389 417 1HD ARG 53 2HD ARG 53 -14.749 8.950 -4.828 418 2HD ARG 53 1HD ARG 53 -15.788 8.113 -3.676 419 HE ARG 53 HE ARG 53 -15.747 10.641 -2.646 420 1HH1 ARG 53 2HH1 ARG 53 -15.230 10.442 -5.916 421 2HH1 ARG 53 1HH1 ARG 53 -16.683 11.256 -6.395 422 1HH2 ARG 53 1HH2 ARG 53 -18.055 11.240 -3.211 423 2HH2 ARG 53 2HH2 ARG 53 -18.281 11.707 -4.863 424 H ASP 54 H ASP 54 -12.734 7.598 1.227 425 HA ASP 54 HA ASP 54 -11.186 10.044 0.882 426 1HB ASP 54 2HB ASP 54 -11.196 10.182 3.269 427 2HB ASP 54 1HB ASP 54 -12.770 9.527 2.819 428 H GLU 55 H GLU 55 -10.460 6.708 1.893 429 HA GLU 55 HA GLU 55 -7.675 7.219 2.440 430 1HB GLU 55 2HB GLU 55 -9.063 5.219 3.222 431 2HB GLU 55 1HB GLU 55 -8.853 4.564 1.598 432 1HG GLU 55 2HG GLU 55 -6.598 4.184 1.889 433 2HG GLU 55 1HG GLU 55 -6.411 5.529 3.016 434 H ILE 56 H ILE 56 -9.482 6.417 -0.465 435 HA ILE 56 HA ILE 56 -7.116 5.758 -2.036 436 HB ILE 56 HB ILE 56 -9.757 6.640 -3.190 437 1HG1 ILE 56 2HG1 ILE 56 -10.474 5.107 -1.515 438 2HG1 ILE 56 1HG1 ILE 56 -10.361 4.146 -2.988 439 1HG2 ILE 56 1HG2 ILE 56 -8.304 6.154 -4.934 440 2HG2 ILE 56 2HG2 ILE 56 -9.024 4.566 -4.664 441 3HG2 ILE 56 3HG2 ILE 56 -7.431 4.935 -4.004 442 1HD1 ILE 56 1HD1 ILE 56 -9.112 2.749 -1.692 443 2HD1 ILE 56 2HD1 ILE 56 -8.736 4.014 -0.522 444 3HD1 ILE 56 3HD1 ILE 56 -7.820 3.902 -2.024 445 H LEU 57 H LEU 57 -9.446 8.465 -2.364 446 HA LEU 57 HA LEU 57 -7.839 10.051 -4.055 447 1HB LEU 57 2HB LEU 57 -10.328 10.319 -2.991 448 2HB LEU 57 1HB LEU 57 -9.446 11.521 -2.048 449 HG LEU 57 HG LEU 57 -10.280 12.625 -4.026 450 1HD1 LEU 57 1HD1 LEU 57 -8.047 13.322 -3.406 451 2HD1 LEU 57 2HD1 LEU 57 -8.112 13.221 -5.165 452 3HD1 LEU 57 3HD1 LEU 57 -7.335 11.938 -4.237 453 1HD2 LEU 57 1HD2 LEU 57 -10.465 11.604 -6.039 454 2HD2 LEU 57 2HD2 LEU 57 -10.030 10.116 -5.197 455 3HD2 LEU 57 3HD2 LEU 57 -8.784 11.070 -6.005 456 H GLY 58 H GLY 58 -8.059 10.138 -0.485 457 1HA GLY 58 2HA GLY 58 -6.124 12.216 -0.141 458 2HA GLY 58 1HA GLY 58 -6.578 11.044 1.095 459 H ALA 59 H ALA 59 -5.806 8.734 -0.579 460 HA ALA 59 HA ALA 59 -3.085 8.483 0.262 461 1HB ALA 59 1HB ALA 59 -3.828 6.365 -0.079 462 2HB ALA 59 2HB ALA 59 -3.347 6.625 -1.757 463 3HB ALA 59 3HB ALA 59 -5.023 6.883 -1.270 464 H VAL 60 H VAL 60 -4.319 8.629 -3.104 465 HA VAL 60 HA VAL 60 -1.835 9.001 -4.364 466 HB VAL 60 HB VAL 60 -4.473 10.262 -5.174 467 1HG1 VAL 60 1HG1 VAL 60 -2.076 9.434 -6.839 468 2HG1 VAL 60 2HG1 VAL 60 -2.426 11.094 -6.356 469 3HG1 VAL 60 3HG1 VAL 60 -3.537 10.233 -7.422 470 1HG2 VAL 60 1HG2 VAL 60 -4.306 7.688 -4.709 471 2HG2 VAL 60 2HG2 VAL 60 -3.376 7.656 -6.206 472 3HG2 VAL 60 3HG2 VAL 60 -5.041 8.237 -6.215 473 H ASP 61 H ASP 61 -4.061 11.487 -3.090 474 HA ASP 61 HA ASP 61 -2.594 13.775 -3.832 475 1HB ASP 61 2HB ASP 61 -4.856 13.315 -2.339 476 2HB ASP 61 1HB ASP 61 -3.726 13.889 -1.113 477 H LEU 62 H LEU 62 -2.163 11.613 -1.050 478 HA LEU 62 HA LEU 62 -0.162 13.146 0.287 479 1HB LEU 62 2HB LEU 62 -1.088 10.325 0.321 480 2HB LEU 62 1HB LEU 62 0.557 10.601 0.897 481 HG LEU 62 HG LEU 62 -1.568 12.458 1.868 482 1HD1 LEU 62 1HD1 LEU 62 -1.177 9.918 3.384 483 2HD1 LEU 62 2HD1 LEU 62 -2.233 9.865 1.972 484 3HD1 LEU 62 3HD1 LEU 62 -2.590 10.969 3.300 485 1HD2 LEU 62 1HD2 LEU 62 -0.169 12.512 3.826 486 2HD2 LEU 62 2HD2 LEU 62 0.907 12.590 2.430 487 3HD2 LEU 62 3HD2 LEU 62 0.709 11.073 3.309 488 H ALA 63 H ALA 63 0.134 10.542 -2.146 489 HA ALA 63 HA ALA 63 2.942 10.419 -2.292 490 1HB ALA 63 1HB ALA 63 0.805 10.067 -4.397 491 2HB ALA 63 2HB ALA 63 1.730 8.820 -3.560 492 3HB ALA 63 3HB ALA 63 2.515 9.841 -4.765 493 H ARG 64 H ARG 64 0.751 12.565 -4.139 494 HA ARG 64 HA ARG 64 2.841 13.957 -5.512 495 1HB ARG 64 2HB ARG 64 0.114 15.022 -4.719 496 2HB ARG 64 1HB ARG 64 1.147 15.639 -6.009 497 1HG ARG 64 2HG ARG 64 0.805 13.754 -7.362 498 2HG ARG 64 1HG ARG 64 0.299 12.751 -6.001 499 1HD ARG 64 2HD ARG 64 -1.802 13.194 -6.761 500 2HD ARG 64 1HD ARG 64 -1.584 14.725 -5.915 501 HE ARG 64 HE ARG 64 -2.055 14.645 -8.615 502 1HH1 ARG 64 2HH1 ARG 64 -0.853 16.950 -6.825 503 2HH1 ARG 64 1HH1 ARG 64 0.431 17.469 -7.864 504 1HH2 ARG 64 1HH2 ARG 64 0.261 14.671 -9.907 505 2HH2 ARG 64 2HH2 ARG 64 1.062 16.177 -9.611 506 H LYS 65 H LYS 65 1.559 14.260 -2.272 507 HA LYS 65 HA LYS 65 3.231 16.708 -1.882 508 1HB LYS 65 2HB LYS 65 0.627 16.536 -1.324 509 2HB LYS 65 1HB LYS 65 1.243 15.823 0.168 510 1HG LYS 65 2HG LYS 65 2.273 17.779 0.843 511 2HG LYS 65 1HG LYS 65 2.527 18.339 -0.810 512 1HD LYS 65 2HD LYS 65 -0.278 18.146 -0.446 513 2HD LYS 65 1HD LYS 65 0.362 18.964 0.980 514 1HE LYS 65 2HE LYS 65 0.449 20.843 -0.265 515 2HE LYS 65 1HE LYS 65 1.772 20.090 -1.156 516 1HZ LYS 65 1HZ LYS 65 -0.872 19.228 -1.943 517 2HZ LYS 65 2HZ LYS 65 0.464 19.654 -2.901 518 3HZ LYS 65 3HZ LYS 65 -0.543 20.861 -2.257 519 H SER 66 H SER 66 3.789 13.619 -1.723 520 HA SER 66 HA SER 66 5.411 13.855 0.752 521 1HB SER 66 2HB SER 66 3.444 11.634 0.158 522 2HB SER 66 1HB SER 66 4.745 11.470 1.333 523 HG SER 66 HG SER 66 2.702 13.447 1.325 524 H SER 67 H SER 67 4.593 11.372 -1.711 525 HA SER 67 HA SER 67 7.530 11.022 -2.120 526 1HB SER 67 2HB SER 67 5.222 9.120 -2.623 527 2HB SER 67 1HB SER 67 6.896 8.788 -3.064 528 HG SER 67 HG SER 67 7.401 8.546 -1.005 529 H LYS 68 H LYS 68 5.071 9.853 -4.324 530 HA LYS 68 HA LYS 68 4.601 11.777 -6.160 531 1HB LYS 68 2HB LYS 68 6.787 12.600 -6.384 532 2HB LYS 68 1HB LYS 68 7.504 10.994 -6.357 533 1HG LYS 68 2HG LYS 68 7.138 10.650 -8.588 534 2HG LYS 68 1HG LYS 68 5.595 11.504 -8.566 535 1HD LYS 68 2HD LYS 68 6.551 13.446 -9.209 536 2HD LYS 68 1HD LYS 68 7.841 13.286 -8.016 537 1HE LYS 68 2HE LYS 68 9.028 13.144 -10.026 538 2HE LYS 68 1HE LYS 68 8.754 11.445 -9.645 539 1HZ LYS 68 1HZ LYS 68 6.626 11.738 -11.004 540 2HZ LYS 68 2HZ LYS 68 8.099 11.629 -11.844 541 3HZ LYS 68 3HZ LYS 68 7.359 13.141 -11.614 542 HA PRO 69 HA PRO 69 5.045 7.674 -8.573 543 1HB PRO 69 2HB PRO 69 6.169 5.542 -7.254 544 2HB PRO 69 1HB PRO 69 7.099 6.686 -8.237 545 1HG PRO 69 2HG PRO 69 6.955 6.449 -5.271 546 2HG PRO 69 1HG PRO 69 8.258 7.093 -6.283 547 1HD PRO 69 2HD PRO 69 6.367 8.617 -4.833 548 2HD PRO 69 1HD PRO 69 7.468 9.228 -6.083 549 H ILE 70 H ILE 70 2.947 6.965 -8.596 550 HA ILE 70 HA ILE 70 1.914 5.593 -6.147 551 HB ILE 70 HB ILE 70 0.381 7.397 -8.046 552 1HG1 ILE 70 2HG1 ILE 70 0.227 8.216 -5.326 553 2HG1 ILE 70 1HG1 ILE 70 1.931 7.925 -5.681 554 1HG2 ILE 70 1HG2 ILE 70 -1.376 6.142 -7.356 555 2HG2 ILE 70 2HG2 ILE 70 -1.165 6.944 -5.799 556 3HG2 ILE 70 3HG2 ILE 70 -0.430 5.367 -6.086 557 1HD1 ILE 70 1HD1 ILE 70 0.920 9.247 -7.947 558 2HD1 ILE 70 2HD1 ILE 70 1.978 9.928 -6.712 559 3HD1 ILE 70 3HD1 ILE 70 0.230 10.099 -6.565 560 H ILE 71 H ILE 71 1.982 3.463 -6.785 561 HA ILE 71 HA ILE 71 1.207 2.747 -9.548 562 HB ILE 71 HB ILE 71 2.150 1.018 -7.240 563 1HG1 ILE 71 2HG1 ILE 71 4.096 0.975 -9.167 564 2HG1 ILE 71 1HG1 ILE 71 3.510 2.632 -9.308 565 1HG2 ILE 71 1HG2 ILE 71 0.901 -0.363 -8.741 566 2HG2 ILE 71 2HG2 ILE 71 2.595 -0.600 -9.168 567 3HG2 ILE 71 3HG2 ILE 71 1.576 0.448 -10.156 568 1HD1 ILE 71 1HD1 ILE 71 3.695 2.711 -6.730 569 2HD1 ILE 71 2HD1 ILE 71 5.195 2.768 -7.655 570 3HD1 ILE 71 3HD1 ILE 71 4.686 1.262 -6.893 571 H THR 72 H THR 72 -0.903 2.349 -9.984 572 HA THR 72 HA THR 72 -2.677 1.549 -7.727 573 HB THR 72 HB THR 72 -3.270 3.596 -9.052 574 HG1 THR 72 HG1 THR 72 -4.781 1.788 -8.165 575 1HG2 THR 72 1HG2 THR 72 -2.402 2.346 -11.213 576 2HG2 THR 72 2HG2 THR 72 -3.715 3.518 -11.328 577 3HG2 THR 72 3HG2 THR 72 -4.073 1.792 -11.303 578 H VAL 73 H VAL 73 -3.829 -0.369 -7.823 579 HA VAL 73 HA VAL 73 -3.168 -2.162 -10.118 580 HB VAL 73 HB VAL 73 -3.910 -2.762 -7.242 581 1HG1 VAL 73 1HG1 VAL 73 -4.435 -4.305 -9.604 582 2HG1 VAL 73 2HG1 VAL 73 -4.725 -4.747 -7.922 583 3HG1 VAL 73 3HG1 VAL 73 -3.172 -5.110 -8.675 584 1HG2 VAL 73 1HG2 VAL 73 -1.683 -2.982 -6.956 585 2HG2 VAL 73 2HG2 VAL 73 -1.453 -2.361 -8.591 586 3HG2 VAL 73 3HG2 VAL 73 -1.585 -4.099 -8.318 587 H ARG 74 H ARG 74 -4.823 -2.658 -11.463 588 HA ARG 74 HA ARG 74 -7.458 -1.601 -11.097 589 1HB ARG 74 2HB ARG 74 -6.062 -3.288 -13.064 590 2HB ARG 74 1HB ARG 74 -7.785 -3.639 -12.918 591 1HG ARG 74 2HG ARG 74 -7.880 -0.938 -12.934 592 2HG ARG 74 1HG ARG 74 -6.432 -1.189 -13.911 593 1HD ARG 74 2HD ARG 74 -9.260 -1.987 -14.472 594 2HD ARG 74 1HD ARG 74 -8.049 -1.316 -15.563 595 HE ARG 74 HE ARG 74 -7.029 -3.805 -14.932 596 1HH1 ARG 74 1HH2 ARG 74 -8.177 -3.022 -17.642 597 2HH1 ARG 74 2HH2 ARG 74 -9.377 -4.251 -17.866 598 1HH2 ARG 74 2HH1 ARG 74 -9.387 -5.222 -14.538 599 2HH2 ARG 74 1HH1 ARG 74 -10.061 -5.497 -16.109 600 HA PRO 75 HA PRO 75 -9.463 -4.749 -8.794 601 1HB PRO 75 2HB PRO 75 -11.962 -4.712 -9.943 602 2HB PRO 75 1HB PRO 75 -11.363 -3.442 -8.861 603 1HG PRO 75 2HG PRO 75 -11.706 -3.378 -11.821 604 2HG PRO 75 1HG PRO 75 -11.722 -2.039 -10.661 605 1HD PRO 75 2HD PRO 75 -9.560 -2.750 -12.351 606 2HD PRO 75 1HD PRO 75 -9.487 -1.631 -10.973 607 H TYR 76 H TYR 76 -10.491 -6.931 -8.982 608 HA TYR 76 HA TYR 76 -9.303 -8.503 -11.083 609 1HB TYR 76 2HB TYR 76 -10.036 -9.207 -8.676 610 2HB TYR 76 1HB TYR 76 -11.615 -9.468 -9.416 611 HD1 TYR 76 HD1 TYR 76 -11.517 -10.781 -11.753 612 HD2 TYR 76 HD2 TYR 76 -8.540 -10.994 -8.660 613 HE1 TYR 76 HE1 TYR 76 -10.738 -12.958 -12.652 614 HE2 TYR 76 HE2 TYR 76 -7.763 -13.172 -9.560 615 HH TYR 76 HH TYR 76 -8.220 -14.834 -10.997 616 H GLY 77 H GLY 77 -12.758 -7.858 -10.355 617 1HA GLY 77 2HA GLY 77 -13.465 -7.271 -13.053 618 2HA GLY 77 1HA GLY 77 -13.769 -8.984 -12.761 619 H LEU 78 H LEU 78 -14.638 -5.717 -11.742 620 HA LEU 78 HA LEU 78 -17.282 -6.752 -10.909 621 1HB LEU 78 2HB LEU 78 -15.270 -6.157 -9.017 622 2HB LEU 78 1HB LEU 78 -16.396 -4.800 -8.970 623 HG LEU 78 HG LEU 78 -17.156 -6.510 -7.410 624 1HD1 LEU 78 1HD1 LEU 78 -19.309 -6.177 -8.009 625 2HD1 LEU 78 2HD1 LEU 78 -19.116 -7.120 -9.487 626 3HD1 LEU 78 3HD1 LEU 78 -18.681 -5.411 -9.466 627 1HD2 LEU 78 1HD2 LEU 78 -15.966 -8.376 -8.690 628 2HD2 LEU 78 2HD2 LEU 78 -17.361 -8.396 -9.768 629 3HD2 LEU 78 3HD2 LEU 78 -17.563 -8.778 -8.058 630 H GLU 79 H GLU 79 -15.463 -3.681 -10.568 631 HA GLU 79 HA GLU 79 -17.656 -2.371 -12.116 632 1HB GLU 79 2HB GLU 79 -16.989 -1.818 -9.552 633 2HB GLU 79 1HB GLU 79 -15.878 -0.732 -10.390 634 1HG GLU 79 2HG GLU 79 -17.563 0.582 -11.215 635 2HG GLU 79 1HG GLU 79 -18.675 -0.776 -11.391 636 H ASN 80 H ASN 80 -15.862 0.083 -12.076 637 HA ASN 80 HA ASN 80 -13.652 -0.761 -13.846 638 1HB ASN 80 2HB ASN 80 -16.161 0.340 -14.812 639 2HB ASN 80 1HB ASN 80 -14.807 1.395 -15.222 640 1HD2 ASN 80 1HD2 ASN 80 -16.145 -1.856 -15.701 641 2HD2 ASN 80 2HD2 ASN 80 -15.103 -2.287 -16.970 642 H VAL 81 H VAL 81 -11.906 0.407 -13.213 643 HA VAL 81 HA VAL 81 -11.935 2.461 -11.303 644 HB VAL 81 HB VAL 81 -9.953 1.874 -13.516 645 1HG1 VAL 81 1HG1 VAL 81 -9.839 4.263 -12.763 646 2HG1 VAL 81 2HG1 VAL 81 -8.389 3.340 -12.367 647 3HG1 VAL 81 3HG1 VAL 81 -9.581 3.689 -11.115 648 1HG2 VAL 81 1HG2 VAL 81 -10.240 1.153 -10.602 649 2HG2 VAL 81 2HG2 VAL 81 -8.656 1.138 -11.377 650 3HG2 VAL 81 3HG2 VAL 81 -9.941 0.089 -11.977 651 HA PRO 82 HA PRO 82 -13.519 5.852 -13.662 652 1HB PRO 82 2HB PRO 82 -13.023 7.797 -11.783 653 2HB PRO 82 1HB PRO 82 -14.373 6.653 -11.677 654 1HG PRO 82 2HG PRO 82 -11.825 6.697 -10.129 655 2HG PRO 82 1HG PRO 82 -13.400 6.024 -9.678 656 1HD PRO 82 2HD PRO 82 -11.166 4.546 -10.595 657 2HD PRO 82 1HD PRO 82 -12.830 3.943 -10.450 658 HA PRO 83 HA PRO 83 -10.032 7.912 -15.411 659 1HB PRO 83 2HB PRO 83 -11.195 10.278 -16.191 660 2HB PRO 83 1HB PRO 83 -11.464 8.735 -17.021 661 1HG PRO 83 2HG PRO 83 -13.292 10.231 -15.199 662 2HG PRO 83 1HG PRO 83 -13.687 9.095 -16.500 663 1HD PRO 83 2HD PRO 83 -13.705 8.512 -13.731 664 2HD PRO 83 1HD PRO 83 -13.765 7.322 -15.049 665 H GLU 84 H GLU 84 -11.214 8.781 -12.474 666 HA GLU 84 HA GLU 84 -9.860 11.373 -12.191 667 1HB GLU 84 2HB GLU 84 -11.195 9.549 -10.167 668 2HB GLU 84 1HB GLU 84 -10.549 11.148 -9.798 669 1HG GLU 84 2HG GLU 84 -12.055 12.059 -11.629 670 2HG GLU 84 1HG GLU 84 -12.819 10.469 -11.682 671 H LEU 85 H LEU 85 -9.281 7.988 -11.348 672 HA LEU 85 HA LEU 85 -6.754 8.717 -9.987 673 1HB LEU 85 2HB LEU 85 -8.401 6.879 -9.195 674 2HB LEU 85 1HB LEU 85 -7.725 5.909 -10.503 675 HG LEU 85 HG LEU 85 -5.601 7.192 -9.023 676 1HD1 LEU 85 1HD1 LEU 85 -7.573 5.514 -7.445 677 2HD1 LEU 85 2HD1 LEU 85 -7.112 7.185 -7.122 678 3HD1 LEU 85 3HD1 LEU 85 -5.937 5.888 -6.903 679 1HD2 LEU 85 1HD2 LEU 85 -4.781 4.900 -8.895 680 2HD2 LEU 85 2HD2 LEU 85 -5.472 5.164 -10.496 681 3HD2 LEU 85 3HD2 LEU 85 -6.383 4.270 -9.279 682 H GLU 86 H GLU 86 -7.803 8.050 -13.116 683 HA GLU 86 HA GLU 86 -5.286 6.726 -13.932 684 1HB GLU 86 2HB GLU 86 -7.944 7.232 -15.182 685 2HB GLU 86 1HB GLU 86 -6.555 7.132 -16.265 686 1HG GLU 86 2HG GLU 86 -6.143 5.014 -14.527 687 2HG GLU 86 1HG GLU 86 -7.892 5.007 -14.756 688 H ALA 87 H ALA 87 -6.451 9.868 -13.507 689 HA ALA 87 HA ALA 87 -4.729 10.993 -15.651 690 1HB ALA 87 1HB ALA 87 -6.059 12.913 -13.891 691 2HB ALA 87 2HB ALA 87 -7.192 11.778 -14.624 692 3HB ALA 87 3HB ALA 87 -6.143 12.760 -15.646 693 H VAL 88 H VAL 88 -4.455 10.061 -12.448 694 HA VAL 88 HA VAL 88 -2.248 12.034 -12.011 695 HB VAL 88 HB VAL 88 -2.701 11.546 -9.524 696 1HG1 VAL 88 1HG1 VAL 88 -4.785 12.982 -11.200 697 2HG1 VAL 88 2HG1 VAL 88 -3.283 13.678 -10.594 698 3HG1 VAL 88 3HG1 VAL 88 -4.551 13.203 -9.466 699 1HG2 VAL 88 1HG2 VAL 88 -5.239 10.477 -10.798 700 2HG2 VAL 88 2HG2 VAL 88 -5.085 10.872 -9.086 701 3HG2 VAL 88 3HG2 VAL 88 -4.107 9.580 -9.785 702 H SER 89 H SER 89 -3.380 8.711 -11.420 703 HA SER 89 HA SER 89 -1.166 7.599 -10.159 704 1HB SER 89 2HB SER 89 -3.132 6.561 -12.151 705 2HB SER 89 1HB SER 89 -1.706 5.579 -11.825 706 HG SER 89 HG SER 89 -3.295 6.687 -9.763 707 H SER 90 H SER 90 0.748 6.498 -11.007 708 HA SER 90 HA SER 90 1.650 7.606 -13.637 709 1HB SER 90 2HB SER 90 3.116 7.337 -11.017 710 2HB SER 90 1HB SER 90 3.994 7.408 -12.542 711 HG SER 90 HG SER 90 2.808 9.375 -12.958 712 H GLU 91 H GLU 91 0.927 4.828 -11.898 713 HA GLU 91 HA GLU 91 2.239 3.160 -13.949 714 1HB GLU 91 2HB GLU 91 2.940 3.123 -11.028 715 2HB GLU 91 1HB GLU 91 3.003 1.625 -11.957 716 1HG GLU 91 2HG GLU 91 4.360 3.061 -13.679 717 2HG GLU 91 1HG GLU 91 4.629 4.128 -12.301 718 H VAL 92 H VAL 92 0.241 2.408 -14.653 719 HA VAL 92 HA VAL 92 -1.579 1.214 -12.617 720 HB VAL 92 HB VAL 92 -2.057 1.832 -15.550 721 1HG1 VAL 92 1HG1 VAL 92 -4.136 0.920 -15.327 722 2HG1 VAL 92 2HG1 VAL 92 -4.299 1.451 -13.654 723 3HG1 VAL 92 3HG1 VAL 92 -3.377 -0.004 -14.032 724 1HG2 VAL 92 1HG2 VAL 92 -3.233 3.245 -13.151 725 2HG2 VAL 92 2HG2 VAL 92 -3.215 3.778 -14.833 726 3HG2 VAL 92 3HG2 VAL 92 -1.724 3.779 -13.891 727 H VAL 93 H VAL 93 -1.696 -0.984 -12.453 728 HA VAL 93 HA VAL 93 -0.769 -2.605 -14.785 729 HB VAL 93 HB VAL 93 0.356 -4.152 -13.193 730 1HG1 VAL 93 1HG1 VAL 93 1.207 -1.589 -14.054 731 2HG1 VAL 93 2HG1 VAL 93 2.220 -2.966 -13.624 732 3HG1 VAL 93 3HG1 VAL 93 1.781 -1.778 -12.397 733 1HG2 VAL 93 1HG2 VAL 93 -0.723 -3.822 -11.128 734 2HG2 VAL 93 2HG2 VAL 93 -0.612 -2.065 -11.245 735 3HG2 VAL 93 3HG2 VAL 93 0.829 -3.018 -10.889 736 H GLY 94 H GLY 94 -1.483 -4.962 -14.495 737 1HA GLY 94 2HA GLY 94 -4.246 -4.958 -13.367 738 2HA GLY 94 1HA GLY 94 -3.689 -6.018 -14.662 739 H TRP 95 H TRP 95 -4.215 -7.957 -13.582 740 HA TRP 95 HA TRP 95 -2.972 -8.438 -10.931 741 1HB TRP 95 2HB TRP 95 -5.014 -9.905 -12.599 742 2HB TRP 95 1HB TRP 95 -4.227 -10.688 -11.228 743 HD1 TRP 95 HD1 TRP 95 -6.808 -8.087 -12.115 744 HE1 TRP 95 HE1 TRP 95 -7.939 -7.231 -9.962 745 HE3 TRP 95 HE3 TRP 95 -3.768 -10.229 -8.613 746 HZ2 TRP 95 HZ2 TRP 95 -7.599 -7.431 -7.125 747 HZ3 TRP 95 HZ3 TRP 95 -4.193 -9.881 -6.196 748 HH2 TRP 95 HH2 TRP 95 -6.102 -8.485 -5.448 749 H ASN 96 H ASN 96 -1.270 -8.188 -13.295 750 HA ASN 96 HA ASN 96 -0.330 -11.000 -13.627 751 1HB ASN 96 2HB ASN 96 -0.202 -8.548 -15.318 752 2HB ASN 96 1HB ASN 96 1.169 -9.656 -15.404 753 1HD2 ASN 96 1HD2 ASN 96 -2.373 -10.262 -15.032 754 2HD2 ASN 96 2HD2 ASN 96 -2.480 -11.308 -16.365 755 HA PRO 97 HA PRO 97 3.139 -10.036 -11.092 756 1HB PRO 97 2HB PRO 97 4.737 -12.135 -11.863 757 2HB PRO 97 1HB PRO 97 3.350 -12.309 -10.773 758 1HG PRO 97 2HG PRO 97 3.594 -13.098 -13.638 759 2HG PRO 97 1HG PRO 97 2.549 -13.767 -12.375 760 1HD PRO 97 2HD PRO 97 1.751 -11.966 -14.410 761 2HD PRO 97 1HD PRO 97 0.813 -12.390 -12.962 762 H HIS 98 H HIS 98 3.595 -10.620 -14.558 763 HA HIS 98 HA HIS 98 6.292 -9.605 -14.687 764 1HB HIS 98 2HB HIS 98 4.973 -11.029 -16.426 765 2HB HIS 98 1HB HIS 98 4.346 -9.479 -16.985 766 HD1 HIS 98 HD1 HIS 98 7.829 -10.702 -15.972 767 HD2 HIS 98 HD2 HIS 98 5.950 -8.584 -19.033 768 HE1 HIS 98 HE1 HIS 98 9.649 -10.031 -17.601 769 H CYS 99 H CYS 99 3.093 -8.123 -15.177 770 HA CYS 99 HA CYS 99 4.190 -5.535 -15.903 771 1HB CYS 99 2HB CYS 99 1.608 -6.758 -15.773 772 2HB CYS 99 1HB CYS 99 1.555 -5.265 -14.834 773 HG CYS 99 HG CYS 99 2.761 -5.130 -17.699 774 H ILE 100 H ILE 100 3.339 -7.120 -12.892 775 HA ILE 100 HA ILE 100 3.311 -4.681 -11.311 776 HB ILE 100 HB ILE 100 3.522 -7.613 -10.588 777 1HG1 ILE 100 2HG1 ILE 100 1.338 -5.575 -10.063 778 2HG1 ILE 100 1HG1 ILE 100 1.348 -6.652 -11.461 779 1HG2 ILE 100 1HG2 ILE 100 2.920 -6.526 -8.241 780 2HG2 ILE 100 2HG2 ILE 100 3.786 -5.143 -8.912 781 3HG2 ILE 100 3HG2 ILE 100 4.601 -6.698 -8.748 782 1HD1 ILE 100 1HD1 ILE 100 0.916 -7.293 -8.575 783 2HD1 ILE 100 2HD1 ILE 100 1.741 -8.496 -9.568 784 3HD1 ILE 100 3HD1 ILE 100 0.120 -7.955 -10.004 785 H ARG 101 H ARG 101 5.757 -7.021 -12.279 786 HA ARG 101 HA ARG 101 7.773 -6.141 -10.408 787 1HB ARG 101 2HB ARG 101 7.927 -8.323 -11.532 788 2HB ARG 101 1HB ARG 101 8.061 -7.518 -13.095 789 1HG ARG 101 2HG ARG 101 10.082 -6.274 -11.992 790 2HG ARG 101 1HG ARG 101 10.053 -7.613 -10.845 791 1HD ARG 101 2HD ARG 101 9.797 -8.779 -13.405 792 2HD ARG 101 1HD ARG 101 11.072 -7.569 -13.547 793 HE ARG 101 HE ARG 101 11.160 -9.573 -11.337 794 1HH1 ARG 101 2HH1 ARG 101 12.127 -9.371 -14.504 795 2HH1 ARG 101 1HH1 ARG 101 13.826 -9.513 -14.199 796 1HH2 ARG 101 1HH2 ARG 101 13.506 -9.182 -10.762 797 2HH2 ARG 101 2HH2 ARG 101 14.607 -9.407 -12.080 798 H ASP 102 H ASP 102 7.062 -5.321 -13.803 799 HA ASP 102 HA ASP 102 9.254 -3.502 -14.126 800 1HB ASP 102 2HB ASP 102 6.549 -3.530 -15.502 801 2HB ASP 102 1HB ASP 102 7.965 -2.635 -16.054 802 H ALA 103 H ALA 103 6.295 -3.252 -12.388 803 HA ALA 103 HA ALA 103 6.078 -0.351 -12.499 804 1HB ALA 103 1HB ALA 103 4.854 -2.467 -10.715 805 2HB ALA 103 2HB ALA 103 4.068 -1.541 -11.994 806 3HB ALA 103 3HB ALA 103 4.540 -0.746 -10.493 807 H LEU 104 H LEU 104 6.967 -2.577 -9.829 808 HA LEU 104 HA LEU 104 8.005 -0.498 -8.151 809 1HB LEU 104 2HB LEU 104 7.714 -3.349 -8.044 810 2HB LEU 104 1HB LEU 104 9.368 -2.938 -7.592 811 HG LEU 104 HG LEU 104 6.875 -1.684 -6.404 812 1HD1 LEU 104 1HD1 LEU 104 7.013 -3.921 -5.582 813 2HD1 LEU 104 2HD1 LEU 104 7.740 -2.914 -4.331 814 3HD1 LEU 104 3HD1 LEU 104 8.768 -3.834 -5.431 815 1HD2 LEU 104 1HD2 LEU 104 8.537 -0.056 -6.174 816 2HD2 LEU 104 2HD2 LEU 104 9.831 -1.249 -6.070 817 3HD2 LEU 104 3HD2 LEU 104 8.758 -0.990 -4.695 818 H GLU 105 H GLU 105 9.325 -2.161 -10.887 819 HA GLU 105 HA GLU 105 12.118 -1.758 -10.271 820 1HB GLU 105 2HB GLU 105 11.603 -3.391 -11.937 821 2HB GLU 105 1HB GLU 105 10.613 -2.252 -12.850 822 1HG GLU 105 2HG GLU 105 12.882 -2.629 -13.857 823 2HG GLU 105 1HG GLU 105 12.569 -0.942 -13.443 824 H ASP 106 H ASP 106 9.760 0.087 -12.221 825 HA ASP 106 HA ASP 106 11.695 2.179 -12.829 826 1HB ASP 106 2HB ASP 106 8.869 1.598 -13.445 827 2HB ASP 106 1HB ASP 106 9.245 3.315 -13.297 828 H ALA 107 H ALA 107 10.157 1.373 -10.006 829 HA ALA 107 HA ALA 107 9.405 4.040 -9.099 830 1HB ALA 107 1HB ALA 107 9.507 1.306 -7.940 831 2HB ALA 107 2HB ALA 107 8.240 2.528 -7.832 832 3HB ALA 107 3HB ALA 107 9.665 2.642 -6.800 833 H LEU 108 H LEU 108 12.275 1.996 -8.897 834 HA LEU 108 HA LEU 108 13.611 3.819 -7.023 835 1HB LEU 108 2HB LEU 108 14.156 1.187 -8.227 836 2HB LEU 108 1HB LEU 108 15.587 2.202 -8.045 837 HG LEU 108 HG LEU 108 14.864 2.616 -5.651 838 1HD1 LEU 108 1HD1 LEU 108 12.699 2.031 -5.272 839 2HD1 LEU 108 2HD1 LEU 108 13.353 0.409 -5.052 840 3HD1 LEU 108 3HD1 LEU 108 12.676 0.882 -6.610 841 1HD2 LEU 108 1HD2 LEU 108 16.642 1.072 -5.952 842 2HD2 LEU 108 2HD2 LEU 108 15.579 -0.139 -6.667 843 3HD2 LEU 108 3HD2 LEU 108 15.482 0.211 -4.941 844 H ASP 109 H ASP 109 14.174 2.813 -10.419 845 HA ASP 109 HA ASP 109 15.345 5.524 -10.879 846 1HB ASP 109 2HB ASP 109 16.725 3.044 -10.961 847 2HB ASP 109 1HB ASP 109 16.543 3.584 -12.631 848 H VAL 110 H VAL 110 15.408 6.007 -13.309 849 HA VAL 110 HA VAL 110 12.976 4.833 -14.598 850 HB VAL 110 HB VAL 110 12.628 7.181 -14.024 851 1HG1 VAL 110 1HG1 VAL 110 14.107 8.931 -14.824 852 2HG1 VAL 110 2HG1 VAL 110 15.081 7.758 -15.710 853 3HG1 VAL 110 3HG1 VAL 110 15.077 7.747 -13.947 854 1HG2 VAL 110 1HG2 VAL 110 11.932 7.944 -16.157 855 2HG2 VAL 110 2HG2 VAL 110 11.929 6.187 -16.308 856 3HG2 VAL 110 3HG2 VAL 110 13.263 7.128 -16.977 857 H ILE 111 HN ILE 111 16.249 6.108 -15.159 858 HA ILE 111 HA ILE 111 16.314 5.534 -17.970 859 HB ILE 111 HB ILE 111 18.792 5.662 -17.693 860 1HG1 ILE 111 2HG1 ILE 111 18.092 5.950 -14.753 861 2HG1 ILE 111 1HG1 ILE 111 18.887 4.551 -15.474 862 1HG2 ILE 111 1HG2 ILE 111 18.716 7.942 -17.488 863 2HG2 ILE 111 2HG2 ILE 111 17.802 7.878 -15.982 864 3HG2 ILE 111 3HG2 ILE 111 16.974 7.667 -17.524 865 1HD1 ILE 111 1HD1 ILE 111 20.005 7.169 -14.756 866 2HD1 ILE 111 2HD1 ILE 111 20.430 6.652 -16.387 867 3HD1 ILE 111 3HD1 ILE 111 20.825 5.628 -15.006 Start of MODEL 7 1 1H VAL 1 1H VAL 1 19.402 -4.292 -6.690 2 2H VAL 1 2H VAL 1 18.840 -4.995 -8.131 3 3H VAL 1 3H VAL 1 20.504 -4.961 -7.793 4 HA VAL 1 HA VAL 1 18.563 -6.890 -7.047 5 HB VAL 1 HB VAL 1 21.535 -6.802 -6.473 6 1HG1 VAL 1 1HG1 VAL 1 20.394 -8.680 -5.454 7 2HG1 VAL 1 2HG1 VAL 1 21.271 -9.275 -6.864 8 3HG1 VAL 1 3HG1 VAL 1 19.528 -9.023 -6.951 9 1HG2 VAL 1 1HG2 VAL 1 21.218 -8.196 -8.829 10 2HG2 VAL 1 2HG2 VAL 1 21.759 -6.522 -8.720 11 3HG2 VAL 1 3HG2 VAL 1 20.060 -6.880 -9.022 12 H THR 2 H THR 2 17.400 -5.708 -5.315 13 HA THR 2 HA THR 2 18.959 -5.525 -2.773 14 HB THR 2 HB THR 2 17.690 -3.488 -3.596 15 HG1 THR 2 HG1 THR 2 17.379 -2.988 -1.569 16 1HG2 THR 2 1HG2 THR 2 15.181 -4.791 -2.634 17 2HG2 THR 2 2HG2 THR 2 15.727 -5.163 -4.270 18 3HG2 THR 2 3HG2 THR 2 15.393 -3.494 -3.810 19 H ALA 3 H ALA 3 17.253 -5.942 -0.824 20 HA ALA 3 HA ALA 3 16.038 -8.608 -1.428 21 1HB ALA 3 1HB ALA 3 16.722 -7.722 1.356 22 2HB ALA 3 2HB ALA 3 18.012 -8.277 0.290 23 3HB ALA 3 3HB ALA 3 16.671 -9.352 0.686 24 H GLU 4 H GLU 4 15.292 -5.403 -0.655 25 HA GLU 4 HA GLU 4 12.480 -6.001 -0.376 26 1HB GLU 4 2HB GLU 4 12.257 -5.061 1.956 27 2HB GLU 4 1HB GLU 4 13.048 -6.636 1.883 28 1HG GLU 4 2HG GLU 4 15.213 -5.035 1.626 29 2HG GLU 4 1HG GLU 4 14.179 -3.981 2.592 30 H ILE 5 H ILE 5 11.276 -3.886 0.274 31 HA ILE 5 HA ILE 5 12.799 -1.425 -0.296 32 HB ILE 5 HB ILE 5 12.276 -2.049 -2.550 33 1HG1 ILE 5 2HG1 ILE 5 10.061 -0.197 -1.613 34 2HG1 ILE 5 1HG1 ILE 5 11.728 0.308 -1.894 35 1HG2 ILE 5 1HG2 ILE 5 10.710 -3.754 -2.490 36 2HG2 ILE 5 2HG2 ILE 5 9.681 -2.413 -2.994 37 3HG2 ILE 5 3HG2 ILE 5 9.698 -2.925 -1.307 38 1HD1 ILE 5 1HD1 ILE 5 11.474 -0.643 -4.252 39 2HD1 ILE 5 2HD1 ILE 5 10.551 0.820 -3.909 40 3HD1 ILE 5 3HD1 ILE 5 9.746 -0.749 -3.919 41 H ARG 6 H ARG 6 11.526 0.501 0.237 42 HA ARG 6 HA ARG 6 9.473 -0.111 2.276 43 1HB ARG 6 2HB ARG 6 10.795 2.510 1.510 44 2HB ARG 6 1HB ARG 6 9.684 2.287 2.863 45 1HG ARG 6 2HG ARG 6 11.286 1.358 4.164 46 2HG ARG 6 1HG ARG 6 11.874 0.338 2.850 47 1HD ARG 6 2HD ARG 6 13.295 2.023 2.015 48 2HD ARG 6 1HD ARG 6 12.437 3.298 2.879 49 HE ARG 6 HE ARG 6 13.668 1.348 4.662 50 1HH1 ARG 6 2HH1 ARG 6 15.949 2.293 3.014 51 2HH1 ARG 6 1HH1 ARG 6 16.450 3.727 3.847 52 1HH2 ARG 6 1HH2 ARG 6 13.502 4.030 5.648 53 2HH2 ARG 6 2HH2 ARG 6 15.064 4.710 5.337 54 H LEU 7 H LEU 7 7.491 -0.437 1.351 55 HA LEU 7 HA LEU 7 6.468 1.738 -0.426 56 1HB LEU 7 2HB LEU 7 5.153 -0.024 -1.634 57 2HB LEU 7 1HB LEU 7 6.896 -0.195 -1.843 58 HG LEU 7 HG LEU 7 6.291 -1.641 0.490 59 1HD1 LEU 7 1HD1 LEU 7 4.429 -2.981 0.044 60 2HD1 LEU 7 2HD1 LEU 7 4.466 -2.630 -1.685 61 3HD1 LEU 7 3HD1 LEU 7 3.887 -1.412 -0.549 62 1HD2 LEU 7 1HD2 LEU 7 7.476 -3.242 -0.623 63 2HD2 LEU 7 2HD2 LEU 7 7.728 -1.968 -1.816 64 3HD2 LEU 7 3HD2 LEU 7 6.440 -3.151 -2.047 65 H TYR 8 H TYR 8 4.011 1.805 -0.371 66 HA TYR 8 HA TYR 8 2.961 0.759 2.224 67 1HB TYR 8 2HB TYR 8 3.599 3.261 2.209 68 2HB TYR 8 1HB TYR 8 2.211 3.476 1.141 69 HD1 TYR 8 HD1 TYR 8 0.501 4.472 2.403 70 HD2 TYR 8 HD2 TYR 8 2.735 1.202 4.072 71 HE1 TYR 8 HE1 TYR 8 -1.018 4.437 4.364 72 HE2 TYR 8 HE2 TYR 8 1.216 1.167 6.036 73 HH TYR 8 HH TYR 8 -1.059 3.691 6.643 74 H ILE 9 H ILE 9 0.747 0.206 2.205 75 HA ILE 9 HA ILE 9 -0.633 0.418 -0.436 76 HB ILE 9 HB ILE 9 -0.635 -2.025 1.365 77 1HG1 ILE 9 2HG1 ILE 9 0.442 -2.395 -1.303 78 2HG1 ILE 9 1HG1 ILE 9 1.347 -1.151 -0.438 79 1HG2 ILE 9 1HG2 ILE 9 -1.477 -2.354 -1.403 80 2HG2 ILE 9 2HG2 ILE 9 -2.471 -1.161 -0.566 81 3HG2 ILE 9 3HG2 ILE 9 -2.324 -2.795 0.080 82 1HD1 ILE 9 1HD1 ILE 9 1.065 -3.021 1.524 83 2HD1 ILE 9 2HD1 ILE 9 2.461 -2.933 0.449 84 3HD1 ILE 9 3HD1 ILE 9 1.146 -4.055 0.097 85 H THR 10 H THR 10 -2.908 0.672 -0.278 86 HA THR 10 HA THR 10 -3.905 2.038 1.998 87 HB THR 10 HB THR 10 -5.881 0.530 0.380 88 HG1 THR 10 HG1 THR 10 -5.410 1.652 -1.470 89 1HG2 THR 10 1HG2 THR 10 -6.571 2.333 1.867 90 2HG2 THR 10 2HG2 THR 10 -6.837 2.824 0.195 91 3HG2 THR 10 3HG2 THR 10 -5.446 3.444 1.084 92 H GLU 11 H GLU 11 -5.179 1.345 3.762 93 HA GLU 11 HA GLU 11 -4.840 -1.497 4.468 94 1HB GLU 11 2HB GLU 11 -5.421 -0.864 6.680 95 2HB GLU 11 1HB GLU 11 -4.482 0.495 6.064 96 1HG GLU 11 2HG GLU 11 -6.517 1.736 5.561 97 2HG GLU 11 1HG GLU 11 -7.511 0.354 6.024 98 H GLY 12 H GLY 12 -6.607 -2.897 4.954 99 1HA GLY 12 2HA GLY 12 -9.358 -2.129 4.797 100 2HA GLY 12 1HA GLY 12 -8.847 -2.761 3.231 101 H GLU 13 H GLU 13 -10.300 -4.590 3.568 102 HA GLU 13 HA GLU 13 -8.971 -6.862 4.755 103 1HB GLU 13 2HB GLU 13 -10.682 -7.349 6.491 104 2HB GLU 13 1HB GLU 13 -9.799 -5.861 6.836 105 1HG GLU 13 2HG GLU 13 -12.193 -5.479 5.162 106 2HG GLU 13 1HG GLU 13 -12.537 -6.067 6.789 107 H VAL 14 H VAL 14 -9.880 -6.509 2.199 108 HA VAL 14 HA VAL 14 -12.416 -8.093 2.101 109 HB VAL 14 HB VAL 14 -12.611 -7.228 -0.242 110 1HG1 VAL 14 1HG1 VAL 14 -13.698 -5.352 0.490 111 2HG1 VAL 14 2HG1 VAL 14 -12.298 -4.770 1.393 112 3HG1 VAL 14 3HG1 VAL 14 -13.331 -6.026 2.077 113 1HG2 VAL 14 1HG2 VAL 14 -9.929 -6.607 0.094 114 2HG2 VAL 14 2HG2 VAL 14 -10.718 -5.035 0.220 115 3HG2 VAL 14 3HG2 VAL 14 -10.954 -6.029 -1.218 116 H GLU 15 H GLU 15 -12.496 -9.596 0.141 117 HA GLU 15 HA GLU 15 -10.255 -11.396 0.229 118 1HB GLU 15 2HB GLU 15 -12.783 -11.804 -0.401 119 2HB GLU 15 1HB GLU 15 -12.230 -11.421 -2.033 120 1HG GLU 15 2HG GLU 15 -11.761 -13.661 -2.087 121 2HG GLU 15 1HG GLU 15 -10.280 -13.140 -1.282 122 H ASP 16 H ASP 16 -11.066 -8.681 -1.811 123 HA ASP 16 HA ASP 16 -9.280 -9.376 -3.986 124 1HB ASP 16 2HB ASP 16 -11.017 -7.136 -3.251 125 2HB ASP 16 1HB ASP 16 -9.516 -6.609 -4.015 126 H TYR 17 H TYR 17 -9.007 -6.684 -1.641 127 HA TYR 17 HA TYR 17 -6.272 -6.163 -2.065 128 1HB TYR 17 2HB TYR 17 -7.571 -4.609 -0.776 129 2HB TYR 17 1HB TYR 17 -7.993 -5.848 0.406 130 HD1 TYR 17 HD1 TYR 17 -4.667 -5.223 -1.160 131 HD2 TYR 17 HD2 TYR 17 -7.048 -5.002 2.410 132 HE1 TYR 17 HE1 TYR 17 -2.641 -4.658 0.158 133 HE2 TYR 17 HE2 TYR 17 -5.023 -4.438 3.728 134 HH TYR 17 HH TYR 17 -2.812 -3.514 3.391 135 H ARG 18 H ARG 18 -7.805 -8.726 -0.245 136 HA ARG 18 HA ARG 18 -5.494 -9.474 1.315 137 1HB ARG 18 2HB ARG 18 -7.898 -10.158 1.766 138 2HB ARG 18 1HB ARG 18 -7.744 -11.294 0.426 139 1HG ARG 18 2HG ARG 18 -5.490 -11.888 1.822 140 2HG ARG 18 1HG ARG 18 -6.558 -11.401 3.138 141 1HD ARG 18 2HD ARG 18 -8.164 -13.062 2.597 142 2HD ARG 18 1HD ARG 18 -7.455 -13.341 1.006 143 HE ARG 18 HE ARG 18 -5.615 -13.936 3.189 144 1HH1 ARG 18 2HH1 ARG 18 -6.150 -15.275 0.411 145 2HH1 ARG 18 1HH1 ARG 18 -6.647 -16.849 0.937 146 1HH2 ARG 18 1HH2 ARG 18 -7.141 -15.883 4.229 147 2HH2 ARG 18 2HH2 ARG 18 -7.208 -17.193 3.099 148 H VAL 19 H VAL 19 -6.979 -11.411 -1.299 149 HA VAL 19 HA VAL 19 -4.883 -13.106 -1.860 150 HB VAL 19 HB VAL 19 -6.515 -11.722 -4.006 151 1HG1 VAL 19 1HG1 VAL 19 -5.812 -14.590 -4.176 152 2HG1 VAL 19 2HG1 VAL 19 -4.445 -13.482 -4.293 153 3HG1 VAL 19 3HG1 VAL 19 -5.787 -13.348 -5.429 154 1HG2 VAL 19 1HG2 VAL 19 -8.347 -12.773 -3.214 155 2HG2 VAL 19 2HG2 VAL 19 -7.413 -13.237 -1.791 156 3HG2 VAL 19 3HG2 VAL 19 -7.490 -14.316 -3.184 157 H PHE 20 H PHE 20 -5.176 -9.738 -2.960 158 HA PHE 20 HA PHE 20 -2.906 -9.707 -4.674 159 1HB PHE 20 2HB PHE 20 -4.565 -7.866 -4.545 160 2HB PHE 20 1HB PHE 20 -3.967 -7.456 -2.937 161 HD1 PHE 20 HD1 PHE 20 -2.176 -8.456 -6.077 162 HD2 PHE 20 HD2 PHE 20 -2.802 -5.431 -3.089 163 HE1 PHE 20 HE1 PHE 20 -0.378 -7.081 -7.093 164 HE2 PHE 20 HE2 PHE 20 -1.005 -4.055 -4.105 165 HZ PHE 20 HZ PHE 20 0.208 -4.880 -6.106 166 H LEU 21 H LEU 21 -3.121 -8.709 -1.235 167 HA LEU 21 HA LEU 21 -0.376 -8.197 -0.837 168 1HB LEU 21 2HB LEU 21 -2.504 -8.004 0.763 169 2HB LEU 21 1HB LEU 21 -1.900 -9.556 1.346 170 HG LEU 21 HG LEU 21 0.411 -8.349 1.440 171 1HD1 LEU 21 1HD1 LEU 21 -0.348 -6.327 0.232 172 2HD1 LEU 21 2HD1 LEU 21 0.231 -5.928 1.850 173 3HD1 LEU 21 3HD1 LEU 21 -1.501 -5.994 1.525 174 1HD2 LEU 21 1HD2 LEU 21 -1.915 -7.922 3.322 175 2HD2 LEU 21 2HD2 LEU 21 -0.300 -7.327 3.708 176 3HD2 LEU 21 3HD2 LEU 21 -0.571 -9.055 3.480 177 H GLU 22 H GLU 22 -2.086 -11.254 -1.039 178 HA GLU 22 HA GLU 22 0.045 -12.851 0.101 179 1HB GLU 22 2HB GLU 22 -2.352 -13.508 -1.622 180 2HB GLU 22 1HB GLU 22 -1.203 -14.740 -1.100 181 1HG GLU 22 2HG GLU 22 -2.773 -12.903 0.732 182 2HG GLU 22 1HG GLU 22 -3.106 -14.613 0.459 183 H ARG 23 H ARG 23 -0.939 -12.087 -3.247 184 HA ARG 23 HA ARG 23 1.144 -13.649 -4.471 185 1HB ARG 23 2HB ARG 23 -1.011 -11.975 -5.333 186 2HB ARG 23 1HB ARG 23 0.460 -11.448 -6.152 187 1HG ARG 23 2HG ARG 23 0.879 -13.661 -6.998 188 2HG ARG 23 1HG ARG 23 -0.403 -14.346 -5.997 189 1HD ARG 23 2HD ARG 23 -0.894 -12.254 -8.130 190 2HD ARG 23 1HD ARG 23 -1.046 -13.988 -8.415 191 HE ARG 23 HE ARG 23 -2.673 -12.620 -6.314 192 1HH1 ARG 23 2HH1 ARG 23 -3.296 -13.049 -9.423 193 2HH1 ARG 23 1HH1 ARG 23 -4.490 -14.295 -9.272 194 1HH2 ARG 23 1HH2 ARG 23 -3.783 -14.940 -5.940 195 2HH2 ARG 23 2HH2 ARG 23 -4.766 -15.365 -7.302 196 H LEU 24 H LEU 24 1.091 -10.486 -3.018 197 HA LEU 24 HA LEU 24 3.316 -9.313 -4.360 198 1HB LEU 24 2HB LEU 24 1.647 -8.637 -2.194 199 2HB LEU 24 1HB LEU 24 3.286 -8.644 -1.540 200 HG LEU 24 HG LEU 24 3.770 -7.357 -3.851 201 1HD1 LEU 24 1HD1 LEU 24 1.500 -5.728 -3.517 202 2HD1 LEU 24 2HD1 LEU 24 0.884 -7.380 -3.567 203 3HD1 LEU 24 3HD1 LEU 24 1.864 -6.763 -4.897 204 1HD2 LEU 24 1HD2 LEU 24 4.472 -6.028 -2.157 205 2HD2 LEU 24 2HD2 LEU 24 3.186 -6.586 -1.087 206 3HD2 LEU 24 3HD2 LEU 24 2.876 -5.281 -2.233 207 H GLU 25 H GLU 25 3.269 -11.057 -1.225 208 HA GLU 25 HA GLU 25 6.093 -11.154 -0.912 209 1HB GLU 25 2HB GLU 25 5.650 -13.056 0.627 210 2HB GLU 25 1HB GLU 25 4.561 -11.702 0.923 211 1HG GLU 25 2HG GLU 25 2.761 -12.972 0.461 212 2HG GLU 25 1HG GLU 25 3.448 -13.453 -1.090 213 H GLN 26 H GLN 26 3.977 -12.922 -3.005 214 HA GLN 26 HA GLN 26 5.334 -15.330 -3.434 215 1HB GLN 26 2HB GLN 26 3.213 -14.270 -4.607 216 2HB GLN 26 1HB GLN 26 4.396 -13.759 -5.813 217 1HG GLN 26 2HG GLN 26 4.341 -15.823 -6.701 218 2HG GLN 26 1HG GLN 26 4.983 -16.464 -5.189 219 1HE2 GLN 26 1HE2 GLN 26 3.130 -16.615 -3.384 220 2HE2 GLN 26 2HE2 GLN 26 1.665 -17.279 -3.923 221 H SER 27 H SER 27 6.210 -12.082 -4.499 222 HA SER 27 HA SER 27 8.133 -12.565 -6.439 223 1HB SER 27 2HB SER 27 8.872 -10.696 -4.220 224 2HB SER 27 1HB SER 27 8.986 -10.464 -5.962 225 HG SER 27 HG SER 27 7.253 -9.286 -5.399 226 H GLY 28 H GLY 28 8.683 -12.669 -2.902 227 1HA GLY 28 2HA GLY 28 10.017 -14.648 -2.093 228 2HA GLY 28 1HA GLY 28 11.083 -14.365 -3.469 229 H LEU 29 H LEU 29 9.746 -12.511 -0.707 230 HA LEU 29 HA LEU 29 10.812 -11.006 0.746 231 1HB LEU 29 2HB LEU 29 12.351 -13.061 0.932 232 2HB LEU 29 1HB LEU 29 13.423 -12.211 -0.181 233 HG LEU 29 HG LEU 29 13.327 -10.235 1.414 234 1HD1 LEU 29 1HD1 LEU 29 12.783 -11.179 3.831 235 2HD1 LEU 29 2HD1 LEU 29 11.752 -12.288 2.927 236 3HD1 LEU 29 3HD1 LEU 29 11.495 -10.548 2.805 237 1HD2 LEU 29 1HD2 LEU 29 14.451 -12.387 3.072 238 2HD2 LEU 29 2HD2 LEU 29 15.259 -11.015 2.316 239 3HD2 LEU 29 3HD2 LEU 29 14.945 -12.476 1.381 240 H GLU 30 H GLU 30 10.188 -9.270 -0.757 241 HA GLU 30 HA GLU 30 12.524 -7.786 -1.693 242 1HB GLU 30 2HB GLU 30 11.288 -9.502 -3.530 243 2HB GLU 30 1HB GLU 30 10.635 -7.907 -3.905 244 1HG GLU 30 2HG GLU 30 13.594 -8.363 -3.491 245 2HG GLU 30 1HG GLU 30 12.833 -8.551 -5.072 246 H TRP 31 H TRP 31 10.165 -7.526 0.153 247 HA TRP 31 HA TRP 31 9.467 -4.788 -0.623 248 1HB TRP 31 2HB TRP 31 7.079 -5.099 -0.704 249 2HB TRP 31 1HB TRP 31 7.794 -6.257 -1.825 250 HD1 TRP 31 HD1 TRP 31 7.949 -8.825 -1.006 251 HE1 TRP 31 HE1 TRP 31 6.492 -10.144 0.663 252 HE3 TRP 31 HE3 TRP 31 5.687 -4.953 1.442 253 HZ2 TRP 31 HZ2 TRP 31 4.614 -9.625 2.759 254 HZ3 TRP 31 HZ3 TRP 31 4.069 -5.393 3.270 255 HH2 TRP 31 HH2 TRP 31 3.531 -7.723 3.931 256 H ARG 32 H ARG 32 8.440 -3.634 1.150 257 HA ARG 32 HA ARG 32 8.161 -5.058 3.720 258 1HB ARG 32 2HB ARG 32 10.555 -3.620 3.011 259 2HB ARG 32 1HB ARG 32 9.737 -2.777 4.326 260 1HG ARG 32 2HG ARG 32 9.517 -5.074 5.451 261 2HG ARG 32 1HG ARG 32 10.690 -5.643 4.261 262 1HD ARG 32 2HD ARG 32 12.397 -4.271 5.094 263 2HD ARG 32 1HD ARG 32 11.262 -3.168 5.873 264 HE ARG 32 HE ARG 32 10.898 -4.902 7.603 265 1HH1 ARG 32 1HH2 ARG 32 12.103 -7.061 5.691 266 2HH1 ARG 32 2HH2 ARG 32 13.568 -7.422 6.542 267 1HH2 ARG 32 2HH1 ARG 32 13.386 -4.620 8.579 268 2HH2 ARG 32 1HH1 ARG 32 14.294 -6.040 8.178 269 HA PRO 33 HA PRO 33 5.100 -1.933 4.173 270 1HB PRO 33 2HB PRO 33 4.659 -2.230 6.870 271 2HB PRO 33 1HB PRO 33 4.061 -3.366 5.649 272 1HG PRO 33 2HG PRO 33 6.328 -3.687 7.560 273 2HG PRO 33 1HG PRO 33 5.312 -4.926 6.804 274 1HD PRO 33 2HD PRO 33 7.938 -4.224 6.009 275 2HD PRO 33 1HD PRO 33 6.792 -5.209 5.074 276 H ALA 34 H ALA 34 5.585 0.231 4.171 277 HA ALA 34 HA ALA 34 7.449 1.248 6.279 278 1HB ALA 34 1HB ALA 34 6.984 3.008 3.980 279 2HB ALA 34 2HB ALA 34 7.685 1.454 3.527 280 3HB ALA 34 3HB ALA 34 8.506 2.482 4.701 281 H THR 35 H THR 35 6.936 3.941 6.094 282 HA THR 35 HA THR 35 4.169 4.077 7.173 283 HB THR 35 HB THR 35 5.097 6.482 7.780 284 HG1 THR 35 HG1 THR 35 6.998 6.278 6.592 285 1HG2 THR 35 1HG2 THR 35 4.753 5.335 9.706 286 2HG2 THR 35 2HG2 THR 35 6.492 5.041 9.656 287 3HG2 THR 35 3HG2 THR 35 5.375 3.831 9.026 288 HA PRO 36 HA PRO 36 2.684 6.454 3.800 289 1HB PRO 36 2HB PRO 36 1.009 8.217 5.087 290 2HB PRO 36 1HB PRO 36 0.631 6.502 4.847 291 1HG PRO 36 2HG PRO 36 1.491 7.906 7.336 292 2HG PRO 36 1HG PRO 36 0.519 6.435 7.155 293 1HD PRO 36 2HD PRO 36 3.256 6.527 7.845 294 2HD PRO 36 1HD PRO 36 2.366 5.084 7.314 295 H GLU 37 H GLU 37 4.242 8.130 6.444 296 HA GLU 37 HA GLU 37 4.520 10.613 4.853 297 1HB GLU 37 2HB GLU 37 4.443 10.012 7.634 298 2HB GLU 37 1HB GLU 37 6.049 10.655 7.285 299 1HG GLU 37 2HG GLU 37 4.649 12.544 7.769 300 2HG GLU 37 1HG GLU 37 4.896 12.536 6.022 301 H ASP 38 H ASP 38 6.075 7.680 5.063 302 HA ASP 38 HA ASP 38 8.529 8.836 3.883 303 1HB ASP 38 2HB ASP 38 8.376 7.660 6.560 304 2HB ASP 38 1HB ASP 38 9.560 6.853 5.530 305 H ALA 39 H ALA 39 6.905 7.655 2.244 306 HA ALA 39 HA ALA 39 7.774 4.796 2.068 307 1HB ALA 39 1HB ALA 39 5.169 5.923 1.996 308 2HB ALA 39 2HB ALA 39 5.621 4.243 1.706 309 3HB ALA 39 3HB ALA 39 5.531 5.379 0.359 310 H ASP 40 H ASP 40 9.062 4.330 0.352 311 HA ASP 40 HA ASP 40 9.720 6.412 -1.580 312 1HB ASP 40 2HB ASP 40 10.520 3.485 -1.521 313 2HB ASP 40 1HB ASP 40 11.265 4.742 -2.510 314 H ALA 41 H ALA 41 7.917 3.347 -1.643 315 HA ALA 41 HA ALA 41 6.886 4.159 -4.334 316 1HB ALA 41 1HB ALA 41 6.536 1.392 -4.123 317 2HB ALA 41 2HB ALA 41 8.147 1.682 -3.465 318 3HB ALA 41 3HB ALA 41 7.751 2.218 -5.097 319 H VAL 42 H VAL 42 4.674 4.243 -4.498 320 HA VAL 42 HA VAL 42 3.117 3.246 -2.144 321 HB VAL 42 HB VAL 42 2.423 5.472 -4.088 322 1HG1 VAL 42 1HG1 VAL 42 0.855 5.793 -1.873 323 2HG1 VAL 42 2HG1 VAL 42 0.950 4.035 -1.968 324 3HG1 VAL 42 3HG1 VAL 42 0.334 4.959 -3.337 325 1HG2 VAL 42 1HG2 VAL 42 3.206 6.995 -2.528 326 2HG2 VAL 42 2HG2 VAL 42 4.338 5.674 -2.242 327 3HG2 VAL 42 3HG2 VAL 42 2.953 5.895 -1.173 328 H ILE 43 H ILE 43 1.261 2.001 -2.556 329 HA ILE 43 HA ILE 43 0.673 1.389 -5.417 330 HB ILE 43 HB ILE 43 0.928 -0.665 -3.198 331 1HG1 ILE 43 2HG1 ILE 43 2.640 -0.743 -5.627 332 2HG1 ILE 43 1HG1 ILE 43 3.001 0.538 -4.468 333 1HG2 ILE 43 1HG2 ILE 43 -0.432 -1.855 -4.557 334 2HG2 ILE 43 2HG2 ILE 43 0.929 -1.926 -5.676 335 3HG2 ILE 43 3HG2 ILE 43 -0.295 -0.670 -5.855 336 1HD1 ILE 43 1HD1 ILE 43 2.508 -2.100 -3.245 337 2HD1 ILE 43 2HD1 ILE 43 3.778 -0.923 -2.909 338 3HD1 ILE 43 3HD1 ILE 43 3.940 -2.030 -4.273 339 H VAL 44 H VAL 44 -1.321 2.405 -5.468 340 HA VAL 44 HA VAL 44 -3.241 1.909 -3.270 341 HB VAL 44 HB VAL 44 -3.623 3.559 -5.784 342 1HG1 VAL 44 1HG1 VAL 44 -4.969 4.248 -3.246 343 2HG1 VAL 44 2HG1 VAL 44 -5.474 2.713 -3.954 344 3HG1 VAL 44 3HG1 VAL 44 -5.614 4.203 -4.887 345 1HG2 VAL 44 1HG2 VAL 44 -2.862 5.467 -4.558 346 2HG2 VAL 44 2HG2 VAL 44 -1.641 4.220 -4.303 347 3HG2 VAL 44 3HG2 VAL 44 -2.825 4.566 -3.043 348 H LEU 45 H LEU 45 -4.969 0.528 -3.473 349 HA LEU 45 HA LEU 45 -5.096 -1.101 -5.941 350 1HB LEU 45 2HB LEU 45 -5.745 -1.487 -3.122 351 2HB LEU 45 1HB LEU 45 -7.052 -2.024 -4.178 352 HG LEU 45 HG LEU 45 -5.350 -3.809 -3.711 353 1HD1 LEU 45 1HD1 LEU 45 -6.702 -3.935 -5.735 354 2HD1 LEU 45 2HD1 LEU 45 -5.055 -4.440 -6.116 355 3HD1 LEU 45 3HD1 LEU 45 -5.611 -2.829 -6.570 356 1HD2 LEU 45 1HD2 LEU 45 -3.591 -1.639 -4.534 357 2HD2 LEU 45 2HD2 LEU 45 -3.307 -3.093 -5.492 358 3HD2 LEU 45 3HD2 LEU 45 -3.186 -3.158 -3.734 359 H ALA 46 H ALA 46 -6.796 -0.994 -7.380 360 HA ALA 46 HA ALA 46 -8.747 1.190 -6.968 361 1HB ALA 46 1HB ALA 46 -8.035 -0.568 -9.323 362 2HB ALA 46 2HB ALA 46 -7.792 1.170 -9.152 363 3HB ALA 46 3HB ALA 46 -9.420 0.523 -9.352 364 H GLY 47 H GLY 47 -8.668 -1.811 -5.845 365 1HA GLY 47 2HA GLY 47 -11.362 -2.673 -6.705 366 2HA GLY 47 1HA GLY 47 -10.275 -3.581 -5.653 367 H LEU 48 H LEU 48 -9.814 -1.044 -4.047 368 HA LEU 48 HA LEU 48 -12.092 -1.443 -2.227 369 1HB LEU 48 2HB LEU 48 -9.416 -0.122 -2.086 370 2HB LEU 48 1HB LEU 48 -10.672 0.464 -0.995 371 HG LEU 48 HG LEU 48 -11.008 -2.193 -0.659 372 1HD1 LEU 48 1HD1 LEU 48 -9.318 -3.262 -1.748 373 2HD1 LEU 48 2HD1 LEU 48 -8.341 -2.752 -0.371 374 3HD1 LEU 48 3HD1 LEU 48 -8.336 -1.801 -1.856 375 1HD2 LEU 48 1HD2 LEU 48 -9.659 -1.945 1.392 376 2HD2 LEU 48 2HD2 LEU 48 -10.620 -0.493 1.105 377 3HD2 LEU 48 3HD2 LEU 48 -8.897 -0.501 0.724 378 H TRP 49 H TRP 49 -12.001 0.178 -4.951 379 HA TRP 49 HA TRP 49 -12.659 2.883 -4.229 380 1HB TRP 49 2HB TRP 49 -12.005 1.809 -6.552 381 2HB TRP 49 1HB TRP 49 -13.748 1.587 -6.706 382 HD1 TRP 49 HD1 TRP 49 -15.171 3.964 -5.998 383 HE1 TRP 49 HE1 TRP 49 -14.681 6.345 -6.864 384 HE3 TRP 49 HE3 TRP 49 -10.327 3.370 -7.489 385 HZ2 TRP 49 HZ2 TRP 49 -12.510 7.803 -8.035 386 HZ3 TRP 49 HZ3 TRP 49 -9.069 5.265 -8.475 387 HH2 TRP 49 HH2 TRP 49 -10.155 7.479 -8.750 388 H GLY 50 H GLY 50 -14.483 -0.095 -4.370 389 1HA GLY 50 2HA GLY 50 -17.034 1.400 -4.041 390 2HA GLY 50 1HA GLY 50 -16.900 -0.326 -4.382 391 H THR 51 H THR 51 -14.909 1.203 -1.942 392 HA THR 51 HA THR 51 -16.676 0.173 0.213 393 HB THR 51 HB THR 51 -14.617 -0.850 1.302 394 HG1 THR 51 HG1 THR 51 -13.031 -1.431 -0.396 395 1HG2 THR 51 1HG2 THR 51 -16.422 -2.114 0.027 396 2HG2 THR 51 2HG2 THR 51 -14.859 -2.922 0.133 397 3HG2 THR 51 3HG2 THR 51 -15.329 -2.104 -1.356 398 H ARG 52 H ARG 52 -13.355 1.492 -0.107 399 HA ARG 52 HA ARG 52 -14.188 3.651 1.791 400 1HB ARG 52 2HB ARG 52 -11.877 1.825 1.796 401 2HB ARG 52 1HB ARG 52 -11.446 3.521 2.015 402 1HG ARG 52 2HG ARG 52 -12.537 3.685 4.030 403 2HG ARG 52 1HG ARG 52 -13.780 2.522 3.568 404 1HD ARG 52 2HD ARG 52 -12.065 0.701 3.748 405 2HD ARG 52 1HD ARG 52 -10.927 1.895 4.373 406 HE ARG 52 HE ARG 52 -13.404 1.889 5.878 407 1HH1 ARG 52 2HH1 ARG 52 -12.675 -0.984 5.942 408 2HH1 ARG 52 1HH1 ARG 52 -11.585 -1.071 7.285 409 1HH2 ARG 52 1HH2 ARG 52 -11.011 2.348 7.381 410 2HH2 ARG 52 2HH2 ARG 52 -10.643 0.816 8.100 411 H ARG 53 H ARG 53 -14.698 4.302 -0.709 412 HA ARG 53 HA ARG 53 -12.623 5.192 -2.405 413 1HB ARG 53 2HB ARG 53 -15.116 5.118 -2.905 414 2HB ARG 53 1HB ARG 53 -15.256 6.631 -2.010 415 1HG ARG 53 2HG ARG 53 -13.139 7.151 -3.692 416 2HG ARG 53 1HG ARG 53 -14.176 6.141 -4.700 417 1HD ARG 53 2HD ARG 53 -16.019 7.620 -4.480 418 2HD ARG 53 1HD ARG 53 -15.280 8.464 -3.120 419 HE ARG 53 HE ARG 53 -13.631 8.701 -5.473 420 1HH1 ARG 53 1HH2 ARG 53 -16.578 9.364 -6.204 421 2HH1 ARG 53 2HH2 ARG 53 -16.558 11.085 -6.011 422 1HH2 ARG 53 2HH1 ARG 53 -13.570 11.122 -4.252 423 2HH2 ARG 53 1HH1 ARG 53 -14.855 12.080 -4.906 424 H ASP 54 H ASP 54 -14.071 6.744 0.432 425 HA ASP 54 HA ASP 54 -12.714 9.276 0.026 426 1HB ASP 54 2HB ASP 54 -14.646 8.215 1.835 427 2HB ASP 54 1HB ASP 54 -13.305 8.835 2.797 428 H GLU 55 H GLU 55 -12.148 6.554 2.287 429 HA GLU 55 HA GLU 55 -9.827 7.500 3.526 430 1HB GLU 55 2HB GLU 55 -11.191 5.121 3.544 431 2HB GLU 55 1HB GLU 55 -9.681 4.657 2.759 432 1HG GLU 55 2HG GLU 55 -9.345 6.413 5.105 433 2HG GLU 55 1HG GLU 55 -10.014 4.823 5.472 434 H ILE 56 H ILE 56 -10.149 5.957 0.346 435 HA ILE 56 HA ILE 56 -7.300 5.841 -0.148 436 HB ILE 56 HB ILE 56 -9.708 5.711 -1.981 437 1HG1 ILE 56 2HG1 ILE 56 -7.801 3.461 -1.619 438 2HG1 ILE 56 1HG1 ILE 56 -8.790 3.866 -0.215 439 1HG2 ILE 56 1HG2 ILE 56 -6.791 5.866 -2.562 440 2HG2 ILE 56 2HG2 ILE 56 -8.164 6.365 -3.551 441 3HG2 ILE 56 3HG2 ILE 56 -7.715 4.661 -3.461 442 1HD1 ILE 56 1HD1 ILE 56 -9.563 2.468 -2.608 443 2HD1 ILE 56 2HD1 ILE 56 -10.510 3.948 -2.466 444 3HD1 ILE 56 3HD1 ILE 56 -10.514 2.769 -1.154 445 H LEU 57 H LEU 57 -9.867 8.025 -1.368 446 HA LEU 57 HA LEU 57 -8.320 9.768 -2.887 447 1HB LEU 57 2HB LEU 57 -10.808 9.919 -2.535 448 2HB LEU 57 1HB LEU 57 -10.488 10.657 -0.965 449 HG LEU 57 HG LEU 57 -8.976 12.295 -2.357 450 1HD1 LEU 57 1HD1 LEU 57 -9.000 11.462 -4.529 451 2HD1 LEU 57 2HD1 LEU 57 -10.321 12.628 -4.612 452 3HD1 LEU 57 3HD1 LEU 57 -10.671 10.911 -4.408 453 1HD2 LEU 57 1HD2 LEU 57 -11.978 12.260 -2.121 454 2HD2 LEU 57 2HD2 LEU 57 -11.168 13.609 -2.918 455 3HD2 LEU 57 3HD2 LEU 57 -10.811 13.237 -1.230 456 H GLY 58 H GLY 58 -8.472 9.498 0.616 457 1HA GLY 58 2HA GLY 58 -7.115 11.965 1.211 458 2HA GLY 58 1HA GLY 58 -7.230 10.576 2.294 459 H ALA 59 H ALA 59 -5.939 8.600 0.905 460 HA ALA 59 HA ALA 59 -3.194 9.157 1.371 461 1HB ALA 59 1HB ALA 59 -3.426 7.110 -0.619 462 2HB ALA 59 2HB ALA 59 -4.761 6.929 0.519 463 3HB ALA 59 3HB ALA 59 -3.097 6.924 1.104 464 H VAL 60 H VAL 60 -4.923 8.874 -1.754 465 HA VAL 60 HA VAL 60 -2.811 9.533 -3.470 466 HB VAL 60 HB VAL 60 -5.735 10.308 -3.671 467 1HG1 VAL 60 1HG1 VAL 60 -4.977 11.642 -5.353 468 2HG1 VAL 60 2HG1 VAL 60 -4.790 10.127 -6.234 469 3HG1 VAL 60 3HG1 VAL 60 -3.407 10.842 -5.407 470 1HG2 VAL 60 1HG2 VAL 60 -6.092 8.198 -4.409 471 2HG2 VAL 60 2HG2 VAL 60 -4.503 7.813 -3.747 472 3HG2 VAL 60 3HG2 VAL 60 -4.669 8.244 -5.450 473 H ASP 61 H ASP 61 -4.914 11.722 -1.617 474 HA ASP 61 HA ASP 61 -3.851 14.150 -2.726 475 1HB ASP 61 2HB ASP 61 -5.639 13.380 -0.540 476 2HB ASP 61 1HB ASP 61 -4.644 14.781 -0.138 477 H LEU 62 H LEU 62 -2.886 12.125 0.016 478 HA LEU 62 HA LEU 62 -0.972 13.944 1.127 479 1HB LEU 62 2HB LEU 62 -1.788 11.935 2.326 480 2HB LEU 62 1HB LEU 62 -0.951 10.910 1.159 481 HG LEU 62 HG LEU 62 0.867 12.902 2.183 482 1HD1 LEU 62 1HD1 LEU 62 -0.522 12.958 4.177 483 2HD1 LEU 62 2HD1 LEU 62 0.936 12.032 4.535 484 3HD1 LEU 62 3HD1 LEU 62 -0.586 11.197 4.226 485 1HD2 LEU 62 1HD2 LEU 62 1.797 10.950 1.274 486 2HD2 LEU 62 2HD2 LEU 62 0.641 9.902 2.096 487 3HD2 LEU 62 3HD2 LEU 62 1.947 10.661 3.007 488 H ALA 63 H ALA 63 -0.602 11.283 -1.229 489 HA ALA 63 HA ALA 63 2.218 11.711 -1.620 490 1HB ALA 63 1HB ALA 63 0.810 10.641 -3.949 491 2HB ALA 63 2HB ALA 63 0.350 9.823 -2.455 492 3HB ALA 63 3HB ALA 63 2.044 9.884 -2.942 493 H ARG 64 H ARG 64 -0.650 13.224 -2.915 494 HA ARG 64 HA ARG 64 0.700 14.434 -5.197 495 1HB ARG 64 2HB ARG 64 -1.955 14.112 -4.403 496 2HB ARG 64 1HB ARG 64 -1.675 15.848 -4.259 497 1HG ARG 64 2HG ARG 64 -0.566 14.598 -6.700 498 2HG ARG 64 1HG ARG 64 -2.327 14.615 -6.599 499 1HD ARG 64 2HD ARG 64 -2.187 16.740 -7.368 500 2HD ARG 64 1HD ARG 64 -1.645 17.154 -5.742 501 HE ARG 64 HE ARG 64 0.651 16.316 -7.121 502 1HH1 ARG 64 2HH1 ARG 64 -1.869 18.599 -7.673 503 2HH1 ARG 64 1HH1 ARG 64 -0.814 19.809 -8.323 504 1HH2 ARG 64 1HH2 ARG 64 2.065 17.937 -7.847 505 2HH2 ARG 64 2HH2 ARG 64 1.410 19.434 -8.421 506 H LYS 65 H LYS 65 1.080 14.930 -1.961 507 HA LYS 65 HA LYS 65 0.966 17.771 -1.688 508 1HB LYS 65 2HB LYS 65 1.375 15.853 0.088 509 2HB LYS 65 1HB LYS 65 3.072 16.174 -0.270 510 1HG LYS 65 2HG LYS 65 2.451 17.588 1.582 511 2HG LYS 65 1HG LYS 65 2.607 18.622 0.162 512 1HD LYS 65 2HD LYS 65 0.556 19.356 0.922 513 2HD LYS 65 1HD LYS 65 0.016 18.021 -0.095 514 1HE LYS 65 2HE LYS 65 0.362 16.596 2.091 515 2HE LYS 65 1HE LYS 65 0.217 18.157 2.897 516 1HZ LYS 65 1HZ LYS 65 -1.827 16.549 1.898 517 2HZ LYS 65 2HZ LYS 65 -1.781 17.947 0.934 518 3HZ LYS 65 3HZ LYS 65 -1.963 18.078 2.618 519 H SER 66 H SER 66 3.700 15.627 -2.537 520 HA SER 66 HA SER 66 5.065 18.043 -3.660 521 1HB SER 66 2HB SER 66 5.995 16.033 -1.797 522 2HB SER 66 1HB SER 66 6.985 16.018 -3.254 523 HG SER 66 HG SER 66 7.478 17.577 -1.445 524 H SER 67 H SER 67 5.611 14.532 -3.965 525 HA SER 67 HA SER 67 4.583 14.266 -6.611 526 1HB SER 67 2HB SER 67 6.579 14.370 -7.957 527 2HB SER 67 1HB SER 67 6.499 15.873 -7.042 528 HG SER 67 HG SER 67 7.788 14.470 -5.443 529 H LYS 68 H LYS 68 4.228 12.564 -4.651 530 HA LYS 68 HA LYS 68 6.339 10.555 -4.441 531 1HB LYS 68 2HB LYS 68 3.578 10.914 -3.360 532 2HB LYS 68 1HB LYS 68 4.237 9.277 -3.408 533 1HG LYS 68 2HG LYS 68 6.366 10.695 -2.420 534 2HG LYS 68 1HG LYS 68 5.003 11.561 -1.710 535 1HD LYS 68 2HD LYS 68 5.095 8.553 -1.639 536 2HD LYS 68 1HD LYS 68 5.968 9.501 -0.433 537 1HE LYS 68 2HE LYS 68 3.581 10.773 -0.371 538 2HE LYS 68 1HE LYS 68 3.042 9.155 -0.814 539 1HZ LYS 68 1HZ LYS 68 3.727 10.044 1.701 540 2HZ LYS 68 2HZ LYS 68 5.009 9.039 1.223 541 3HZ LYS 68 3HZ LYS 68 3.418 8.443 1.236 542 HA PRO 69 HA PRO 69 5.137 8.081 -7.868 543 1HB PRO 69 2HB PRO 69 6.136 5.672 -6.999 544 2HB PRO 69 1HB PRO 69 7.155 6.994 -7.594 545 1HG PRO 69 2HG PRO 69 6.737 6.063 -4.794 546 2HG PRO 69 1HG PRO 69 8.130 6.898 -5.502 547 1HD PRO 69 2HD PRO 69 6.114 8.086 -3.904 548 2HD PRO 69 1HD PRO 69 7.327 8.949 -4.872 549 H ILE 70 H ILE 70 2.859 7.913 -7.840 550 HA ILE 70 HA ILE 70 1.653 5.925 -5.973 551 HB ILE 70 HB ILE 70 0.042 7.712 -7.772 552 1HG1 ILE 70 2HG1 ILE 70 1.145 8.594 -5.092 553 2HG1 ILE 70 1HG1 ILE 70 1.874 9.069 -6.627 554 1HG2 ILE 70 1HG2 ILE 70 -1.340 7.710 -5.588 555 2HG2 ILE 70 2HG2 ILE 70 -0.266 6.412 -5.064 556 3HG2 ILE 70 3HG2 ILE 70 -1.267 6.202 -6.501 557 1HD1 ILE 70 1HD1 ILE 70 -0.315 10.020 -7.338 558 2HD1 ILE 70 2HD1 ILE 70 0.315 10.804 -5.890 559 3HD1 ILE 70 3HD1 ILE 70 -0.980 9.615 -5.756 560 H ILE 71 H ILE 71 1.447 3.920 -6.843 561 HA ILE 71 HA ILE 71 1.036 3.698 -9.790 562 HB ILE 71 HB ILE 71 2.106 1.778 -7.712 563 1HG1 ILE 71 2HG1 ILE 71 3.686 1.853 -10.033 564 2HG1 ILE 71 1HG1 ILE 71 3.199 3.527 -9.762 565 1HG2 ILE 71 1HG2 ILE 71 2.328 0.422 -10.064 566 2HG2 ILE 71 2HG2 ILE 71 0.780 1.231 -10.305 567 3HG2 ILE 71 3HG2 ILE 71 1.015 0.171 -8.915 568 1HD1 ILE 71 1HD1 ILE 71 4.577 3.714 -7.989 569 2HD1 ILE 71 2HD1 ILE 71 5.244 2.141 -8.427 570 3HD1 ILE 71 3HD1 ILE 71 3.925 2.246 -7.261 571 H THR 72 H THR 72 -0.923 3.013 -10.526 572 HA THR 72 HA THR 72 -2.963 2.245 -8.516 573 HB THR 72 HB THR 72 -3.450 4.014 -10.229 574 HG1 THR 72 HG1 THR 72 -4.919 1.620 -10.085 575 1HG2 THR 72 1HG2 THR 72 -3.723 3.413 -12.541 576 2HG2 THR 72 2HG2 THR 72 -3.466 1.706 -12.184 577 3HG2 THR 72 3HG2 THR 72 -2.129 2.847 -12.042 578 H VAL 73 H VAL 73 -3.718 0.176 -8.344 579 HA VAL 73 HA VAL 73 -2.698 -1.804 -10.332 580 HB VAL 73 HB VAL 73 -3.772 -2.352 -7.551 581 1HG1 VAL 73 1HG1 VAL 73 -3.802 -4.235 -9.183 582 2HG1 VAL 73 2HG1 VAL 73 -2.670 -4.517 -7.860 583 3HG1 VAL 73 3HG1 VAL 73 -2.072 -4.010 -9.440 584 1HG2 VAL 73 1HG2 VAL 73 -1.514 -2.392 -6.763 585 2HG2 VAL 73 2HG2 VAL 73 -1.677 -0.885 -7.664 586 3HG2 VAL 73 3HG2 VAL 73 -0.867 -2.269 -8.400 587 H ARG 74 H ARG 74 -4.184 -2.540 -11.744 588 HA ARG 74 HA ARG 74 -6.894 -1.859 -11.822 589 1HB ARG 74 2HB ARG 74 -5.234 -4.007 -13.032 590 2HB ARG 74 1HB ARG 74 -6.978 -4.268 -13.048 591 1HG ARG 74 2HG ARG 74 -7.079 -1.799 -13.912 592 2HG ARG 74 1HG ARG 74 -5.388 -2.066 -14.337 593 1HD ARG 74 2HD ARG 74 -6.006 -4.025 -15.675 594 2HD ARG 74 1HD ARG 74 -7.697 -3.826 -15.214 595 HE ARG 74 HE ARG 74 -7.803 -2.346 -17.035 596 1HH1 ARG 74 1HH2 ARG 74 -4.880 -2.892 -17.745 597 2HH1 ARG 74 2HH2 ARG 74 -4.232 -1.286 -17.732 598 1HH2 ARG 74 2HH1 ARG 74 -6.924 0.069 -16.018 599 2HH2 ARG 74 1HH1 ARG 74 -5.389 0.391 -16.753 600 HA PRO 75 HA PRO 75 -8.858 -4.361 -8.792 601 1HB PRO 75 2HB PRO 75 -11.336 -4.600 -9.956 602 2HB PRO 75 1HB PRO 75 -10.755 -3.109 -9.193 603 1HG PRO 75 2HG PRO 75 -11.055 -3.740 -12.091 604 2HG PRO 75 1HG PRO 75 -11.084 -2.167 -11.277 605 1HD PRO 75 2HD PRO 75 -8.901 -3.259 -12.722 606 2HD PRO 75 1HD PRO 75 -8.848 -1.840 -11.654 607 H TYR 76 H TYR 76 -10.797 -6.321 -9.127 608 HA TYR 76 HA TYR 76 -9.215 -8.502 -10.336 609 1HB TYR 76 2HB TYR 76 -10.578 -8.489 -8.056 610 2HB TYR 76 1HB TYR 76 -11.918 -8.930 -9.114 611 HD1 TYR 76 HD1 TYR 76 -10.350 -10.592 -6.901 612 HD2 TYR 76 HD2 TYR 76 -10.229 -10.438 -11.195 613 HE1 TYR 76 HE1 TYR 76 -9.535 -12.935 -6.964 614 HE2 TYR 76 HE2 TYR 76 -9.414 -12.780 -11.256 615 HH TYR 76 HH TYR 76 -9.365 -14.782 -8.409 616 H GLY 77 H GLY 77 -12.675 -7.569 -10.473 617 1HA GLY 77 2HA GLY 77 -12.940 -7.264 -13.231 618 2HA GLY 77 1HA GLY 77 -13.090 -9.001 -12.957 619 H LEU 78 H LEU 78 -14.313 -5.993 -11.434 620 HA LEU 78 HA LEU 78 -17.018 -7.268 -11.430 621 1HB LEU 78 2HB LEU 78 -15.638 -6.941 -9.157 622 2HB LEU 78 1HB LEU 78 -16.314 -5.317 -9.284 623 HG LEU 78 HG LEU 78 -18.216 -7.526 -9.808 624 1HD1 LEU 78 1HD1 LEU 78 -16.637 -7.334 -7.316 625 2HD1 LEU 78 2HD1 LEU 78 -17.555 -8.692 -7.964 626 3HD1 LEU 78 3HD1 LEU 78 -18.384 -7.410 -7.082 627 1HD2 LEU 78 1HD2 LEU 78 -18.355 -4.816 -9.353 628 2HD2 LEU 78 2HD2 LEU 78 -18.761 -5.470 -7.766 629 3HD2 LEU 78 3HD2 LEU 78 -19.712 -5.930 -9.178 630 H GLU 79 H GLU 79 -15.315 -4.134 -11.084 631 HA GLU 79 HA GLU 79 -17.533 -2.911 -12.673 632 1HB GLU 79 2HB GLU 79 -17.209 -0.856 -11.406 633 2HB GLU 79 1HB GLU 79 -17.473 -2.183 -10.275 634 1HG GLU 79 2HG GLU 79 -14.705 -2.169 -10.730 635 2HG GLU 79 1HG GLU 79 -15.147 -0.469 -10.573 636 H ASN 80 H ASN 80 -15.835 -0.388 -12.589 637 HA ASN 80 HA ASN 80 -13.589 -1.219 -14.349 638 1HB ASN 80 2HB ASN 80 -15.695 0.837 -15.086 639 2HB ASN 80 1HB ASN 80 -14.221 0.526 -16.002 640 1HD2 ASN 80 1HD2 ASN 80 -14.201 -1.282 -17.416 641 2HD2 ASN 80 2HD2 ASN 80 -15.507 -2.352 -17.589 642 H VAL 81 H VAL 81 -11.865 0.296 -14.388 643 HA VAL 81 HA VAL 81 -11.666 1.976 -12.028 644 HB VAL 81 HB VAL 81 -9.809 1.929 -14.422 645 1HG1 VAL 81 1HG1 VAL 81 -8.119 2.495 -12.683 646 2HG1 VAL 81 2HG1 VAL 81 -9.409 2.563 -11.482 647 3HG1 VAL 81 3HG1 VAL 81 -9.380 3.721 -12.812 648 1HG2 VAL 81 1HG2 VAL 81 -10.444 -0.355 -13.333 649 2HG2 VAL 81 2HG2 VAL 81 -9.491 0.215 -11.963 650 3HG2 VAL 81 3HG2 VAL 81 -8.736 0.026 -13.545 651 HA PRO 82 HA PRO 82 -13.272 5.640 -13.905 652 1HB PRO 82 2HB PRO 82 -12.430 7.403 -11.969 653 2HB PRO 82 1HB PRO 82 -13.826 6.328 -11.777 654 1HG PRO 82 2HG PRO 82 -11.107 6.109 -10.568 655 2HG PRO 82 1HG PRO 82 -12.656 5.497 -9.964 656 1HD PRO 82 2HD PRO 82 -10.661 3.960 -11.251 657 2HD PRO 82 1HD PRO 82 -12.337 3.454 -10.954 658 HA PRO 83 HA PRO 83 -9.890 7.582 -15.964 659 1HB PRO 83 2HB PRO 83 -11.052 9.995 -16.580 660 2HB PRO 83 1HB PRO 83 -11.445 8.479 -17.408 661 1HG PRO 83 2HG PRO 83 -13.044 9.985 -15.391 662 2HG PRO 83 1HG PRO 83 -13.596 8.886 -16.667 663 1HD PRO 83 2HD PRO 83 -13.361 8.250 -13.919 664 2HD PRO 83 1HD PRO 83 -13.586 7.089 -15.244 665 H GLU 84 H GLU 84 -10.682 8.389 -12.895 666 HA GLU 84 HA GLU 84 -9.150 10.918 -12.765 667 1HB GLU 84 2HB GLU 84 -11.305 10.087 -11.349 668 2HB GLU 84 1HB GLU 84 -10.014 9.552 -10.272 669 1HG GLU 84 2HG GLU 84 -10.364 11.742 -9.538 670 2HG GLU 84 1HG GLU 84 -9.045 11.956 -10.690 671 H LEU 85 H LEU 85 -8.957 7.577 -11.528 672 HA LEU 85 HA LEU 85 -6.412 7.960 -10.223 673 1HB LEU 85 2HB LEU 85 -8.300 5.965 -10.241 674 2HB LEU 85 1HB LEU 85 -7.008 5.244 -11.201 675 HG LEU 85 HG LEU 85 -5.397 5.897 -9.371 676 1HD1 LEU 85 1HD1 LEU 85 -7.585 7.399 -8.487 677 2HD1 LEU 85 2HD1 LEU 85 -6.083 7.123 -7.604 678 3HD1 LEU 85 3HD1 LEU 85 -7.471 6.069 -7.333 679 1HD2 LEU 85 1HD2 LEU 85 -7.232 4.231 -7.853 680 2HD2 LEU 85 2HD2 LEU 85 -5.694 3.796 -8.599 681 3HD2 LEU 85 3HD2 LEU 85 -7.181 3.734 -9.545 682 H GLU 86 H GLU 86 -7.339 7.477 -13.516 683 HA GLU 86 HA GLU 86 -4.712 6.438 -14.331 684 1HB GLU 86 2HB GLU 86 -6.844 5.808 -15.506 685 2HB GLU 86 1HB GLU 86 -6.971 7.475 -16.068 686 1HG GLU 86 2HG GLU 86 -4.719 7.247 -17.125 687 2HG GLU 86 1HG GLU 86 -4.707 5.546 -16.655 688 H ALA 87 H ALA 87 -6.003 9.475 -13.597 689 HA ALA 87 HA ALA 87 -4.089 10.861 -15.419 690 1HB ALA 87 1HB ALA 87 -6.724 11.429 -14.885 691 2HB ALA 87 2HB ALA 87 -5.554 12.598 -15.497 692 3HB ALA 87 3HB ALA 87 -5.890 12.510 -13.769 693 H VAL 88 H VAL 88 -4.197 9.653 -12.332 694 HA VAL 88 HA VAL 88 -2.338 11.782 -11.349 695 HB VAL 88 HB VAL 88 -3.074 11.093 -9.043 696 1HG1 VAL 88 1HG1 VAL 88 -5.654 11.868 -9.926 697 2HG1 VAL 88 2HG1 VAL 88 -4.500 12.620 -11.028 698 3HG1 VAL 88 3HG1 VAL 88 -4.381 12.910 -9.292 699 1HG2 VAL 88 1HG2 VAL 88 -3.903 8.848 -9.635 700 2HG2 VAL 88 2HG2 VAL 88 -5.171 9.570 -10.625 701 3HG2 VAL 88 3HG2 VAL 88 -5.181 9.798 -8.876 702 H SER 89 H SER 89 -2.933 8.372 -11.807 703 HA SER 89 HA SER 89 -0.618 7.538 -10.221 704 1HB SER 89 2HB SER 89 -2.656 6.175 -11.935 705 2HB SER 89 1HB SER 89 -1.134 5.342 -11.631 706 HG SER 89 HG SER 89 -1.579 5.274 -9.517 707 H SER 90 H SER 90 1.437 7.192 -10.988 708 HA SER 90 HA SER 90 2.106 8.231 -13.626 709 1HB SER 90 2HB SER 90 4.356 7.996 -12.968 710 2HB SER 90 1HB SER 90 3.526 8.314 -11.448 711 HG SER 90 HG SER 90 3.464 6.042 -11.123 712 H GLU 91 H GLU 91 1.447 5.098 -12.263 713 HA GLU 91 HA GLU 91 1.731 3.911 -14.951 714 1HB GLU 91 2HB GLU 91 3.950 3.659 -13.705 715 2HB GLU 91 1HB GLU 91 3.089 2.599 -12.589 716 1HG GLU 91 2HG GLU 91 2.659 0.990 -14.250 717 2HG GLU 91 1HG GLU 91 2.939 2.137 -15.562 718 H VAL 92 H VAL 92 0.846 1.613 -14.925 719 HA VAL 92 HA VAL 92 -1.084 1.170 -12.698 720 HB VAL 92 HB VAL 92 -2.465 2.218 -14.334 721 1HG1 VAL 92 1HG1 VAL 92 -2.400 1.661 -16.703 722 2HG1 VAL 92 2HG1 VAL 92 -1.221 0.384 -16.405 723 3HG1 VAL 92 3HG1 VAL 92 -0.771 2.074 -16.169 724 1HG2 VAL 92 1HG2 VAL 92 -2.712 -0.735 -14.968 725 2HG2 VAL 92 2HG2 VAL 92 -3.997 0.473 -14.939 726 3HG2 VAL 92 3HG2 VAL 92 -3.238 -0.042 -13.433 727 H VAL 93 H VAL 93 -0.494 -0.798 -11.915 728 HA VAL 93 HA VAL 93 0.613 -2.821 -13.786 729 HB VAL 93 HB VAL 93 0.343 -3.169 -10.807 730 1HG1 VAL 93 1HG1 VAL 93 1.182 -4.897 -12.658 731 2HG1 VAL 93 2HG1 VAL 93 1.956 -4.804 -11.075 732 3HG1 VAL 93 3HG1 VAL 93 2.688 -4.000 -12.464 733 1HG2 VAL 93 1HG2 VAL 93 2.275 -1.439 -12.341 734 2HG2 VAL 93 2HG2 VAL 93 2.771 -2.213 -10.836 735 3HG2 VAL 93 3HG2 VAL 93 1.421 -1.078 -10.841 736 H GLY 94 H GLY 94 -0.300 -4.947 -13.903 737 1HA GLY 94 2HA GLY 94 -3.215 -4.980 -13.385 738 2HA GLY 94 1HA GLY 94 -2.331 -6.139 -14.381 739 H TRP 95 H TRP 95 -3.253 -7.938 -13.238 740 HA TRP 95 HA TRP 95 -2.516 -8.158 -10.362 741 1HB TRP 95 2HB TRP 95 -4.622 -9.331 -12.090 742 2HB TRP 95 1HB TRP 95 -3.944 -10.412 -10.873 743 HD1 TRP 95 HD1 TRP 95 -5.449 -6.859 -11.104 744 HE1 TRP 95 HE1 TRP 95 -6.658 -6.352 -8.885 745 HE3 TRP 95 HE3 TRP 95 -4.311 -11.099 -8.490 746 HZ2 TRP 95 HZ2 TRP 95 -7.087 -7.581 -6.338 747 HZ3 TRP 95 HZ3 TRP 95 -5.131 -11.404 -6.170 748 HH2 TRP 95 HH2 TRP 95 -6.517 -9.652 -5.092 749 H ASN 96 H ASN 96 -0.589 -8.413 -12.612 750 HA ASN 96 HA ASN 96 0.129 -11.299 -12.393 751 1HB ASN 96 2HB ASN 96 0.766 -9.119 -14.357 752 2HB ASN 96 1HB ASN 96 1.887 -10.470 -14.182 753 1HD2 ASN 96 1HD2 ASN 96 1.078 -10.848 -16.541 754 2HD2 ASN 96 2HD2 ASN 96 -0.315 -11.800 -16.726 755 HA PRO 97 HA PRO 97 3.533 -10.346 -9.793 756 1HB PRO 97 2HB PRO 97 5.267 -12.342 -10.541 757 2HB PRO 97 1HB PRO 97 3.823 -12.619 -9.553 758 1HG PRO 97 2HG PRO 97 4.286 -13.277 -12.423 759 2HG PRO 97 1HG PRO 97 3.188 -14.039 -11.261 760 1HD PRO 97 2HD PRO 97 2.456 -12.182 -13.274 761 2HD PRO 97 1HD PRO 97 1.439 -12.711 -11.917 762 H HIS 98 H HIS 98 4.722 -11.250 -13.062 763 HA HIS 98 HA HIS 98 7.156 -9.818 -12.957 764 1HB HIS 98 2HB HIS 98 6.835 -11.336 -14.771 765 2HB HIS 98 1HB HIS 98 5.344 -10.539 -15.270 766 HD1 HIS 98 HD1 HIS 98 9.032 -9.606 -14.867 767 HD2 HIS 98 HD2 HIS 98 5.764 -8.725 -17.302 768 HE1 HIS 98 HE1 HIS 98 9.875 -8.019 -16.651 769 H CYS 99 H CYS 99 3.884 -8.695 -13.595 770 HA CYS 99 HA CYS 99 4.617 -6.119 -14.652 771 1HB CYS 99 2HB CYS 99 2.295 -7.394 -14.585 772 2HB CYS 99 1HB CYS 99 2.094 -6.498 -13.079 773 HG CYS 99 HG CYS 99 1.228 -5.030 -15.113 774 H ILE 100 H ILE 100 3.812 -7.235 -11.358 775 HA ILE 100 HA ILE 100 4.041 -4.651 -10.131 776 HB ILE 100 HB ILE 100 4.513 -7.379 -8.892 777 1HG1 ILE 100 2HG1 ILE 100 1.966 -5.739 -8.930 778 2HG1 ILE 100 1HG1 ILE 100 2.294 -7.024 -10.094 779 1HG2 ILE 100 1HG2 ILE 100 3.733 -6.138 -6.823 780 2HG2 ILE 100 2HG2 ILE 100 3.897 -4.644 -7.747 781 3HG2 ILE 100 3HG2 ILE 100 5.313 -5.645 -7.429 782 1HD1 ILE 100 1HD1 ILE 100 2.892 -8.214 -7.663 783 2HD1 ILE 100 2HD1 ILE 100 1.394 -8.430 -8.567 784 3HD1 ILE 100 3HD1 ILE 100 1.484 -7.222 -7.286 785 H ARG 101 H ARG 101 6.409 -7.148 -10.916 786 HA ARG 101 HA ARG 101 8.562 -6.160 -9.324 787 1HB ARG 101 2HB ARG 101 8.425 -7.764 -11.872 788 2HB ARG 101 1HB ARG 101 9.979 -7.253 -11.212 789 1HG ARG 101 2HG ARG 101 8.371 -8.314 -9.081 790 2HG ARG 101 1HG ARG 101 8.398 -9.475 -10.409 791 1HD ARG 101 2HD ARG 101 11.036 -8.418 -10.120 792 2HD ARG 101 1HD ARG 101 10.470 -8.908 -8.523 793 HE ARG 101 HE ARG 101 9.894 -10.940 -10.499 794 1HH1 ARG 101 1HH2 ARG 101 12.835 -10.210 -10.857 795 2HH1 ARG 101 2HH2 ARG 101 13.590 -11.336 -9.778 796 1HH2 ARG 101 2HH1 ARG 101 10.655 -12.109 -8.104 797 2HH2 ARG 101 1HH1 ARG 101 12.357 -12.411 -8.220 798 H ASP 102 H ASP 102 8.031 -5.659 -12.839 799 HA ASP 102 HA ASP 102 10.015 -3.668 -13.163 800 1HB ASP 102 2HB ASP 102 8.126 -4.887 -14.796 801 2HB ASP 102 1HB ASP 102 7.638 -3.193 -14.799 802 H ALA 103 H ALA 103 6.549 -3.302 -12.385 803 HA ALA 103 HA ALA 103 6.523 -0.454 -12.315 804 1HB ALA 103 1HB ALA 103 4.726 -2.581 -11.688 805 2HB ALA 103 2HB ALA 103 4.350 -0.873 -11.912 806 3HB ALA 103 3HB ALA 103 4.759 -1.483 -10.309 807 H LEU 104 H LEU 104 7.674 -2.826 -10.013 808 HA LEU 104 HA LEU 104 7.760 -1.026 -7.743 809 1HB LEU 104 2HB LEU 104 8.135 -3.754 -8.124 810 2HB LEU 104 1HB LEU 104 9.753 -3.172 -7.727 811 HG LEU 104 HG LEU 104 8.600 -1.884 -5.800 812 1HD1 LEU 104 1HD1 LEU 104 6.342 -3.090 -7.032 813 2HD1 LEU 104 2HD1 LEU 104 6.377 -2.128 -5.554 814 3HD1 LEU 104 3HD1 LEU 104 6.558 -3.880 -5.469 815 1HD2 LEU 104 1HD2 LEU 104 8.680 -3.903 -4.352 816 2HD2 LEU 104 2HD2 LEU 104 10.062 -3.829 -5.447 817 3HD2 LEU 104 3HD2 LEU 104 8.718 -4.918 -5.794 818 H GLU 105 H GLU 105 10.177 -2.133 -10.124 819 HA GLU 105 HA GLU 105 12.293 -0.485 -9.021 820 1HB GLU 105 2HB GLU 105 12.691 -2.525 -10.424 821 2HB GLU 105 1HB GLU 105 12.066 -1.640 -11.816 822 1HG GLU 105 2HG GLU 105 14.115 -0.775 -12.141 823 2HG GLU 105 1HG GLU 105 13.981 0.047 -10.586 824 H ASP 106 H ASP 106 9.589 0.114 -11.053 825 HA ASP 106 HA ASP 106 10.567 2.270 -12.637 826 1HB ASP 106 2HB ASP 106 8.371 1.232 -13.032 827 2HB ASP 106 1HB ASP 106 7.792 1.848 -11.484 828 H ALA 107 H ALA 107 9.350 2.160 -9.311 829 HA ALA 107 HA ALA 107 9.422 5.054 -8.987 830 1HB ALA 107 1HB ALA 107 9.614 3.377 -6.562 831 2HB ALA 107 2HB ALA 107 8.231 3.020 -7.595 832 3HB ALA 107 3HB ALA 107 8.460 4.649 -6.961 833 H LEU 108 H LEU 108 11.541 2.342 -8.064 834 HA LEU 108 HA LEU 108 13.466 3.679 -6.551 835 1HB LEU 108 2HB LEU 108 13.369 1.263 -8.152 836 2HB LEU 108 1HB LEU 108 14.948 2.036 -8.289 837 HG LEU 108 HG LEU 108 14.858 0.462 -6.371 838 1HD1 LEU 108 1HD1 LEU 108 16.030 2.870 -6.437 839 2HD1 LEU 108 2HD1 LEU 108 16.094 1.847 -5.001 840 3HD1 LEU 108 3HD1 LEU 108 14.921 3.162 -5.097 841 1HD2 LEU 108 1HD2 LEU 108 12.442 2.101 -5.796 842 2HD2 LEU 108 2HD2 LEU 108 13.426 1.647 -4.404 843 3HD2 LEU 108 3HD2 LEU 108 12.753 0.399 -5.453 844 H ASP 109 H ASP 109 13.397 3.400 -10.117 845 HA ASP 109 HA ASP 109 15.469 5.517 -10.287 846 1HB ASP 109 2HB ASP 109 15.692 3.487 -11.705 847 2HB ASP 109 1HB ASP 109 14.158 3.881 -12.481 848 H VAL 110 H VAL 110 14.998 7.580 -10.991 849 HA VAL 110 HA VAL 110 12.230 8.089 -11.990 850 HB VAL 110 HB VAL 110 13.734 9.806 -9.991 851 1HG1 VAL 110 1HG1 VAL 110 12.179 11.398 -10.374 852 2HG1 VAL 110 2HG1 VAL 110 10.865 10.223 -10.302 853 3HG1 VAL 110 3HG1 VAL 110 11.732 10.486 -11.816 854 1HG2 VAL 110 1HG2 VAL 110 11.143 8.448 -9.377 855 2HG2 VAL 110 2HG2 VAL 110 12.476 8.859 -8.298 856 3HG2 VAL 110 3HG2 VAL 110 12.604 7.460 -9.365 857 H ILE 111 HN ILE 111 12.811 8.500 -14.119 858 HA ILE 111 HA ILE 111 13.847 9.583 -15.933 859 HB ILE 111 HB ILE 111 14.137 11.978 -14.134 860 1HG1 ILE 111 2HG1 ILE 111 11.520 11.058 -15.353 861 2HG1 ILE 111 1HG1 ILE 111 11.944 10.774 -13.665 862 1HG2 ILE 111 1HG2 ILE 111 12.828 12.589 -16.534 863 2HG2 ILE 111 2HG2 ILE 111 14.043 11.392 -16.982 864 3HG2 ILE 111 3HG2 ILE 111 14.529 12.877 -16.165 865 1HD1 ILE 111 1HD1 ILE 111 10.636 12.994 -14.515 866 2HD1 ILE 111 2HD1 ILE 111 12.304 13.555 -14.627 867 3HD1 ILE 111 3HD1 ILE 111 11.672 12.968 -13.089 Start of MODEL 8 1 1H VAL 1 1H VAL 1 21.014 1.052 6.327 2 2H VAL 1 2H VAL 1 22.509 1.578 5.713 3 3H VAL 1 3H VAL 1 22.408 0.116 6.571 4 HA VAL 1 HA VAL 1 21.947 0.632 3.798 5 HB VAL 1 HB VAL 1 23.488 -1.075 4.806 6 1HG1 VAL 1 1HG1 VAL 1 21.237 -2.941 5.259 7 2HG1 VAL 1 2HG1 VAL 1 21.389 -1.648 6.450 8 3HG1 VAL 1 3HG1 VAL 1 22.738 -2.747 6.164 9 1HG2 VAL 1 1HG2 VAL 1 21.372 -2.514 3.220 10 2HG2 VAL 1 2HG2 VAL 1 23.127 -2.628 3.086 11 3HG2 VAL 1 3HG2 VAL 1 22.287 -1.202 2.477 12 H THR 2 H THR 2 20.209 -0.247 2.544 13 HA THR 2 HA THR 2 17.659 -0.400 4.058 14 HB THR 2 HB THR 2 16.803 -0.432 1.546 15 HG1 THR 2 HG1 THR 2 19.174 1.020 1.202 16 1HG2 THR 2 1HG2 THR 2 18.006 2.176 2.370 17 2HG2 THR 2 2HG2 THR 2 16.833 1.424 3.452 18 3HG2 THR 2 3HG2 THR 2 16.376 1.825 1.797 19 H ALA 3 H ALA 3 18.490 -2.005 0.997 20 HA ALA 3 HA ALA 3 18.471 -4.291 0.430 21 1HB ALA 3 1HB ALA 3 18.152 -5.029 3.326 22 2HB ALA 3 2HB ALA 3 19.696 -4.395 2.756 23 3HB ALA 3 3HB ALA 3 19.037 -5.873 2.054 24 H GLU 4 H GLU 4 16.049 -2.511 1.469 25 HA GLU 4 HA GLU 4 14.056 -4.627 0.944 26 1HB GLU 4 2HB GLU 4 12.705 -3.688 2.950 27 2HB GLU 4 1HB GLU 4 14.028 -4.801 3.300 28 1HG GLU 4 2HG GLU 4 15.208 -3.213 4.395 29 2HG GLU 4 1HG GLU 4 14.920 -2.020 3.128 30 H ILE 5 H ILE 5 11.746 -3.303 1.234 31 HA ILE 5 HA ILE 5 12.121 -0.646 -0.071 32 HB ILE 5 HB ILE 5 10.125 -2.746 -0.966 33 1HG1 ILE 5 2HG1 ILE 5 12.550 -1.765 -2.483 34 2HG1 ILE 5 1HG1 ILE 5 12.611 -3.193 -1.450 35 1HG2 ILE 5 1HG2 ILE 5 9.668 -1.202 -2.785 36 2HG2 ILE 5 2HG2 ILE 5 10.941 -0.114 -2.231 37 3HG2 ILE 5 3HG2 ILE 5 9.486 -0.335 -1.259 38 1HD1 ILE 5 1HD1 ILE 5 10.845 -2.757 -3.871 39 2HD1 ILE 5 2HD1 ILE 5 10.639 -4.102 -2.749 40 3HD1 ILE 5 3HD1 ILE 5 12.126 -3.954 -3.685 41 H ARG 6 H ARG 6 10.681 0.902 0.645 42 HA ARG 6 HA ARG 6 8.798 0.044 2.780 43 1HB ARG 6 2HB ARG 6 9.738 2.826 2.011 44 2HB ARG 6 1HB ARG 6 8.770 2.411 3.426 45 1HG ARG 6 2HG ARG 6 10.664 0.849 4.110 46 2HG ARG 6 1HG ARG 6 11.628 1.613 2.846 47 1HD ARG 6 2HD ARG 6 10.277 3.582 4.522 48 2HD ARG 6 1HD ARG 6 11.336 2.531 5.462 49 HE ARG 6 HE ARG 6 12.307 4.638 3.948 50 1HH1 ARG 6 2HH1 ARG 6 13.334 1.685 5.052 51 2HH1 ARG 6 1HH1 ARG 6 14.606 1.475 3.897 52 1HH2 ARG 6 1HH2 ARG 6 13.639 4.176 1.947 53 2HH2 ARG 6 2HH2 ARG 6 14.780 2.887 2.137 54 H LEU 7 H LEU 7 6.859 -0.505 1.853 55 HA LEU 7 HA LEU 7 5.678 1.466 -0.066 56 1HB LEU 7 2HB LEU 7 4.871 -1.434 0.004 57 2HB LEU 7 1HB LEU 7 4.726 -0.274 -1.318 58 HG LEU 7 HG LEU 7 7.425 -0.273 -0.945 59 1HD1 LEU 7 1HD1 LEU 7 7.368 -2.033 0.739 60 2HD1 LEU 7 2HD1 LEU 7 8.085 -2.676 -0.738 61 3HD1 LEU 7 3HD1 LEU 7 6.415 -3.065 -0.327 62 1HD2 LEU 7 1HD2 LEU 7 7.193 -2.253 -2.778 63 2HD2 LEU 7 2HD2 LEU 7 6.834 -0.566 -3.142 64 3HD2 LEU 7 3HD2 LEU 7 5.525 -1.681 -2.745 65 H TYR 8 H TYR 8 3.180 1.263 -0.044 66 HA TYR 8 HA TYR 8 2.142 0.526 2.641 67 1HB TYR 8 2HB TYR 8 2.710 2.885 2.863 68 2HB TYR 8 1HB TYR 8 1.855 3.264 1.369 69 HD1 TYR 8 HD1 TYR 8 0.403 4.877 2.578 70 HD2 TYR 8 HD2 TYR 8 0.497 0.705 3.606 71 HE1 TYR 8 HE1 TYR 8 -1.709 5.144 3.850 72 HE2 TYR 8 HE2 TYR 8 -1.616 0.973 4.879 73 HH TYR 8 HH TYR 8 -2.751 3.321 6.083 74 H ILE 9 H ILE 9 0.658 -0.974 1.982 75 HA ILE 9 HA ILE 9 -1.092 -0.303 -0.339 76 HB ILE 9 HB ILE 9 -1.053 -2.985 1.018 77 1HG1 ILE 9 2HG1 ILE 9 0.991 -1.923 -0.956 78 2HG1 ILE 9 1HG1 ILE 9 1.305 -2.500 0.681 79 1HG2 ILE 9 1HG2 ILE 9 -1.094 -2.635 -1.928 80 2HG2 ILE 9 2HG2 ILE 9 -2.492 -1.998 -1.061 81 3HG2 ILE 9 3HG2 ILE 9 -2.059 -3.701 -0.907 82 1HD1 ILE 9 1HD1 ILE 9 1.855 -4.374 -0.612 83 2HD1 ILE 9 2HD1 ILE 9 0.555 -4.078 -1.766 84 3HD1 ILE 9 3HD1 ILE 9 0.182 -4.710 -0.163 85 H THR 10 H THR 10 -3.276 0.012 -0.010 86 HA THR 10 HA THR 10 -4.330 0.703 2.485 87 HB THR 10 HB THR 10 -6.224 -0.648 0.640 88 HG1 THR 10 HG1 THR 10 -4.511 1.467 -0.101 89 1HG2 THR 10 1HG2 THR 10 -6.068 2.150 1.796 90 2HG2 THR 10 2HG2 THR 10 -6.920 0.795 2.536 91 3HG2 THR 10 3HG2 THR 10 -7.463 1.437 0.985 92 H GLU 11 H GLU 11 -6.083 -0.535 3.714 93 HA GLU 11 HA GLU 11 -5.547 -3.471 3.697 94 1HB GLU 11 2HB GLU 11 -4.811 -1.586 5.746 95 2HB GLU 11 1HB GLU 11 -6.028 -2.694 6.380 96 1HG GLU 11 2HG GLU 11 -4.606 -4.457 6.341 97 2HG GLU 11 1HG GLU 11 -3.979 -4.024 4.750 98 H GLY 12 H GLY 12 -7.544 -4.127 2.960 99 1HA GLY 12 2HA GLY 12 -9.911 -3.205 4.542 100 2HA GLY 12 1HA GLY 12 -10.003 -3.508 2.807 101 H GLU 13 H GLU 13 -11.509 -5.206 2.946 102 HA GLU 13 HA GLU 13 -10.381 -7.746 4.011 103 1HB GLU 13 2HB GLU 13 -12.368 -6.380 5.354 104 2HB GLU 13 1HB GLU 13 -13.289 -7.506 4.357 105 1HG GLU 13 2HG GLU 13 -10.891 -8.540 5.821 106 2HG GLU 13 1HG GLU 13 -12.370 -8.242 6.736 107 H VAL 14 H VAL 14 -10.202 -7.242 1.389 108 HA VAL 14 HA VAL 14 -12.520 -8.696 0.178 109 HB VAL 14 HB VAL 14 -10.617 -6.917 -1.351 110 1HG1 VAL 14 1HG1 VAL 14 -11.844 -8.126 -2.902 111 2HG1 VAL 14 2HG1 VAL 14 -12.932 -6.760 -2.652 112 3HG1 VAL 14 3HG1 VAL 14 -13.234 -8.290 -1.829 113 1HG2 VAL 14 1HG2 VAL 14 -11.499 -5.370 0.191 114 2HG2 VAL 14 2HG2 VAL 14 -13.056 -6.196 0.269 115 3HG2 VAL 14 3HG2 VAL 14 -12.622 -5.262 -1.163 116 H GLU 15 H GLU 15 -11.943 -10.204 -1.561 117 HA GLU 15 HA GLU 15 -9.519 -11.696 -0.926 118 1HB GLU 15 2HB GLU 15 -11.723 -12.732 -1.620 119 2HB GLU 15 1HB GLU 15 -11.412 -12.131 -3.250 120 1HG GLU 15 2HG GLU 15 -9.257 -13.377 -3.268 121 2HG GLU 15 1HG GLU 15 -9.648 -14.032 -1.678 122 H ASP 16 H ASP 16 -10.238 -9.091 -2.989 123 HA ASP 16 HA ASP 16 -8.459 -9.719 -5.175 124 1HB ASP 16 2HB ASP 16 -10.119 -8.029 -5.543 125 2HB ASP 16 1HB ASP 16 -9.592 -7.114 -4.129 126 H TYR 17 H TYR 17 -8.060 -7.396 -2.471 127 HA TYR 17 HA TYR 17 -5.291 -6.924 -2.933 128 1HB TYR 17 2HB TYR 17 -6.419 -5.387 -1.516 129 2HB TYR 17 1HB TYR 17 -7.039 -6.672 -0.481 130 HD1 TYR 17 HD1 TYR 17 -3.644 -5.726 -1.800 131 HD2 TYR 17 HD2 TYR 17 -6.059 -6.679 1.625 132 HE1 TYR 17 HE1 TYR 17 -1.652 -5.516 -0.337 133 HE2 TYR 17 HE2 TYR 17 -4.067 -6.468 3.089 134 HH TYR 17 HH TYR 17 -1.070 -5.161 1.934 135 H ARG 18 H ARG 18 -6.955 -9.455 -1.116 136 HA ARG 18 HA ARG 18 -4.663 -10.472 0.268 137 1HB ARG 18 2HB ARG 18 -7.258 -11.043 0.444 138 2HB ARG 18 1HB ARG 18 -6.804 -12.341 -0.662 139 1HG ARG 18 2HG ARG 18 -5.012 -13.032 0.915 140 2HG ARG 18 1HG ARG 18 -5.540 -11.777 2.036 141 1HD ARG 18 2HD ARG 18 -6.723 -13.595 2.862 142 2HD ARG 18 1HD ARG 18 -7.899 -12.940 1.722 143 HE ARG 18 HE ARG 18 -7.221 -14.706 0.133 144 1HH1 ARG 18 1HH2 ARG 18 -7.844 -15.764 3.072 145 2HH1 ARG 18 2HH2 ARG 18 -6.708 -17.070 3.127 146 1HH2 ARG 18 2HH1 ARG 18 -4.965 -16.024 0.316 147 2HH2 ARG 18 1HH1 ARG 18 -5.078 -17.217 1.567 148 H VAL 19 H VAL 19 -6.059 -11.266 -2.914 149 HA VAL 19 HA VAL 19 -4.220 -13.398 -3.491 150 HB VAL 19 HB VAL 19 -5.820 -11.584 -5.317 151 1HG1 VAL 19 1HG1 VAL 19 -5.327 -13.191 -7.090 152 2HG1 VAL 19 2HG1 VAL 19 -4.362 -14.163 -5.977 153 3HG1 VAL 19 3HG1 VAL 19 -3.815 -12.553 -6.445 154 1HG2 VAL 19 1HG2 VAL 19 -7.312 -13.514 -5.478 155 2HG2 VAL 19 2HG2 VAL 19 -7.093 -13.093 -3.780 156 3HG2 VAL 19 3HG2 VAL 19 -6.229 -14.470 -4.466 157 H PHE 20 H PHE 20 -4.223 -9.959 -4.500 158 HA PHE 20 HA PHE 20 -1.849 -9.948 -5.986 159 1HB PHE 20 2HB PHE 20 -3.428 -8.000 -5.620 160 2HB PHE 20 1HB PHE 20 -2.651 -7.756 -4.056 161 HD1 PHE 20 HD1 PHE 20 -1.363 -8.629 -7.476 162 HD2 PHE 20 HD2 PHE 20 -1.195 -5.938 -4.130 163 HE1 PHE 20 HE1 PHE 20 0.468 -7.369 -8.581 164 HE2 PHE 20 HE2 PHE 20 0.635 -4.678 -5.234 165 HZ PHE 20 HZ PHE 20 1.466 -5.393 -7.459 166 H LEU 21 H LEU 21 -2.160 -9.353 -2.466 167 HA LEU 21 HA LEU 21 0.679 -9.234 -2.021 168 1HB LEU 21 2HB LEU 21 -1.322 -8.473 -0.501 169 2HB LEU 21 1HB LEU 21 -1.247 -10.129 0.104 170 HG LEU 21 HG LEU 21 1.275 -8.509 -0.100 171 1HD1 LEU 21 1HD1 LEU 21 0.837 -7.878 2.329 172 2HD1 LEU 21 2HD1 LEU 21 -0.842 -8.342 2.057 173 3HD1 LEU 21 3HD1 LEU 21 -0.133 -7.015 1.136 174 1HD2 LEU 21 1HD2 LEU 21 0.281 -10.970 1.242 175 2HD2 LEU 21 2HD2 LEU 21 1.416 -9.985 2.165 176 3HD2 LEU 21 3HD2 LEU 21 1.878 -10.615 0.584 177 H GLU 22 H GLU 22 -1.588 -11.883 -2.279 178 HA GLU 22 HA GLU 22 -0.041 -13.877 -0.919 179 1HB GLU 22 2HB GLU 22 -2.472 -14.047 -1.698 180 2HB GLU 22 1HB GLU 22 -1.829 -14.385 -3.305 181 1HG GLU 22 2HG GLU 22 -1.029 -15.953 -0.842 182 2HG GLU 22 1HG GLU 22 -2.345 -16.441 -1.911 183 H ARG 23 H ARG 23 -0.219 -13.016 -4.389 184 HA ARG 23 HA ARG 23 1.906 -14.860 -5.111 185 1HB ARG 23 2HB ARG 23 -0.016 -13.717 -6.563 186 2HB ARG 23 1HB ARG 23 1.235 -12.502 -6.825 187 1HG ARG 23 2HG ARG 23 2.515 -13.904 -8.091 188 2HG ARG 23 1HG ARG 23 2.130 -15.311 -7.098 189 1HD ARG 23 2HD ARG 23 0.005 -15.598 -8.175 190 2HD ARG 23 1HD ARG 23 0.134 -14.035 -8.982 191 HE ARG 23 HE ARG 23 2.273 -15.243 -10.044 192 1HH1 ARG 23 2HH1 ARG 23 -0.730 -15.373 -11.053 193 2HH1 ARG 23 1HH1 ARG 23 -0.772 -17.028 -11.563 194 1HH2 ARG 23 1HH2 ARG 23 2.178 -17.877 -9.953 195 2HH2 ARG 23 2HH2 ARG 23 0.874 -18.445 -10.940 196 H LEU 24 H LEU 24 1.750 -11.542 -4.031 197 HA LEU 24 HA LEU 24 4.432 -10.844 -4.930 198 1HB LEU 24 2HB LEU 24 2.444 -9.259 -4.359 199 2HB LEU 24 1HB LEU 24 2.976 -9.457 -2.689 200 HG LEU 24 HG LEU 24 5.270 -8.964 -4.348 201 1HD1 LEU 24 1HD1 LEU 24 3.417 -6.613 -4.417 202 2HD1 LEU 24 2HD1 LEU 24 3.233 -7.859 -5.650 203 3HD1 LEU 24 3HD1 LEU 24 4.766 -7.006 -5.481 204 1HD2 LEU 24 1HD2 LEU 24 3.971 -7.093 -2.358 205 2HD2 LEU 24 2HD2 LEU 24 5.687 -7.264 -2.727 206 3HD2 LEU 24 3HD2 LEU 24 4.840 -8.542 -1.853 207 H GLU 25 H GLU 25 3.162 -12.659 -2.321 208 HA GLU 25 HA GLU 25 5.225 -12.090 -0.372 209 1HB GLU 25 2HB GLU 25 2.911 -13.822 -0.589 210 2HB GLU 25 1HB GLU 25 4.287 -14.708 0.068 211 1HG GLU 25 2HG GLU 25 3.241 -12.056 1.104 212 2HG GLU 25 1HG GLU 25 3.010 -13.626 1.876 213 H GLN 26 H GLN 26 4.697 -14.946 -2.482 214 HA GLN 26 HA GLN 26 7.351 -15.986 -1.956 215 1HB GLN 26 2HB GLN 26 6.829 -17.640 -3.660 216 2HB GLN 26 1HB GLN 26 5.398 -17.398 -2.658 217 1HG GLN 26 2HG GLN 26 4.794 -15.578 -4.457 218 2HG GLN 26 1HG GLN 26 5.910 -16.490 -5.474 219 1HE2 GLN 26 1HE2 GLN 26 2.992 -16.935 -3.417 220 2HE2 GLN 26 2HE2 GLN 26 2.393 -18.261 -4.291 221 H SER 27 H SER 27 6.220 -13.451 -3.891 222 HA SER 27 HA SER 27 7.692 -13.537 -6.251 223 1HB SER 27 2HB SER 27 6.316 -11.631 -5.906 224 2HB SER 27 1HB SER 27 7.101 -11.240 -4.378 225 HG SER 27 HG SER 27 8.765 -10.400 -5.434 226 H GLY 28 H GLY 28 8.872 -12.519 -3.037 227 1HA GLY 28 2HA GLY 28 11.189 -13.380 -2.487 228 2HA GLY 28 1HA GLY 28 11.652 -12.839 -4.100 229 H LEU 29 H LEU 29 13.211 -11.733 -2.332 230 HA LEU 29 HA LEU 29 13.950 -9.679 -1.472 231 1HB LEU 29 2HB LEU 29 12.449 -9.087 -3.748 232 2HB LEU 29 1HB LEU 29 11.781 -8.026 -2.507 233 HG LEU 29 HG LEU 29 14.565 -7.935 -2.133 234 1HD1 LEU 29 1HD1 LEU 29 14.586 -6.971 -4.802 235 2HD1 LEU 29 2HD1 LEU 29 13.939 -8.610 -4.860 236 3HD1 LEU 29 3HD1 LEU 29 15.519 -8.312 -4.137 237 1HD2 LEU 29 1HD2 LEU 29 13.270 -5.999 -1.748 238 2HD2 LEU 29 2HD2 LEU 29 12.495 -6.096 -3.331 239 3HD2 LEU 29 3HD2 LEU 29 14.182 -5.596 -3.204 240 H GLU 30 H GLU 30 13.509 -8.316 0.329 241 HA GLU 30 HA GLU 30 11.078 -9.097 1.837 242 1HB GLU 30 2HB GLU 30 13.782 -8.492 2.540 243 2HB GLU 30 1HB GLU 30 12.739 -7.297 3.314 244 1HG GLU 30 2HG GLU 30 11.275 -9.283 4.033 245 2HG GLU 30 1HG GLU 30 12.635 -10.305 3.570 246 H TRP 31 H TRP 31 9.796 -7.388 2.900 247 HA TRP 31 HA TRP 31 10.121 -4.630 1.956 248 1HB TRP 31 2HB TRP 31 7.937 -4.523 0.832 249 2HB TRP 31 1HB TRP 31 8.972 -5.714 0.042 250 HD1 TRP 31 HD1 TRP 31 8.164 -8.158 -0.024 251 HE1 TRP 31 HE1 TRP 31 6.096 -9.403 0.880 252 HE3 TRP 31 HE3 TRP 31 6.163 -4.508 2.936 253 HZ2 TRP 31 HZ2 TRP 31 3.884 -8.915 2.629 254 HZ3 TRP 31 HZ3 TRP 31 4.077 -4.923 4.209 255 HH2 TRP 31 HH2 TRP 31 2.935 -7.120 4.058 256 H ARG 32 H ARG 32 8.670 -3.170 3.093 257 HA ARG 32 HA ARG 32 6.984 -4.373 5.213 258 1HB ARG 32 2HB ARG 32 9.575 -3.060 5.650 259 2HB ARG 32 1HB ARG 32 8.266 -2.359 6.602 260 1HG ARG 32 2HG ARG 32 7.664 -4.855 7.126 261 2HG ARG 32 1HG ARG 32 9.330 -5.171 6.637 262 1HD ARG 32 2HD ARG 32 8.353 -3.419 8.896 263 2HD ARG 32 1HD ARG 32 9.440 -4.805 8.985 264 HE ARG 32 HE ARG 32 10.528 -2.697 7.318 265 1HH1 ARG 32 2HH1 ARG 32 9.759 -1.362 9.929 266 2HH1 ARG 32 1HH1 ARG 32 11.209 -1.559 10.855 267 1HH2 ARG 32 1HH2 ARG 32 12.520 -4.004 8.776 268 2HH2 ARG 32 2HH2 ARG 32 12.772 -3.056 10.203 269 HA PRO 33 HA PRO 33 4.492 -0.877 4.297 270 1HB PRO 33 2HB PRO 33 3.041 -0.764 6.628 271 2HB PRO 33 1HB PRO 33 2.781 -1.985 5.371 272 1HG PRO 33 2HG PRO 33 4.096 -2.282 8.031 273 2HG PRO 33 1HG PRO 33 3.274 -3.501 7.043 274 1HD PRO 33 2HD PRO 33 6.078 -3.168 7.279 275 2HD PRO 33 1HD PRO 33 5.239 -4.160 6.066 276 H ALA 34 H ALA 34 4.810 1.327 4.460 277 HA ALA 34 HA ALA 34 6.086 2.360 6.962 278 1HB ALA 34 1HB ALA 34 6.574 3.534 4.224 279 2HB ALA 34 2HB ALA 34 7.573 2.225 4.855 280 3HB ALA 34 3HB ALA 34 7.511 3.771 5.700 281 H THR 35 H THR 35 5.489 4.555 7.516 282 HA THR 35 HA THR 35 2.807 5.220 7.400 283 HB THR 35 HB THR 35 3.840 7.712 7.421 284 HG1 THR 35 HG1 THR 35 5.918 6.455 6.908 285 1HG2 THR 35 1HG2 THR 35 4.619 6.576 9.906 286 2HG2 THR 35 2HG2 THR 35 3.212 5.676 9.343 287 3HG2 THR 35 3HG2 THR 35 3.120 7.427 9.530 288 HA PRO 36 HA PRO 36 1.931 6.623 3.336 289 1HB PRO 36 2HB PRO 36 0.035 8.540 3.877 290 2HB PRO 36 1HB PRO 36 -0.272 6.799 3.991 291 1HG PRO 36 2HG PRO 36 0.114 8.784 6.182 292 2HG PRO 36 1HG PRO 36 -0.775 7.252 6.199 293 1HD PRO 36 2HD PRO 36 1.808 7.683 7.278 294 2HD PRO 36 1HD PRO 36 1.043 6.105 6.993 295 H GLU 37 H GLU 37 2.749 9.093 5.732 296 HA GLU 37 HA GLU 37 3.152 11.234 3.834 297 1HB GLU 37 2HB GLU 37 3.298 10.887 6.665 298 2HB GLU 37 1HB GLU 37 4.832 11.573 6.126 299 1HG GLU 37 2HG GLU 37 3.825 13.577 5.969 300 2HG GLU 37 1HG GLU 37 2.821 12.925 4.674 301 H ASP 38 H ASP 38 5.176 8.645 5.096 302 HA ASP 38 HA ASP 38 7.376 9.620 3.317 303 1HB ASP 38 2HB ASP 38 7.398 8.487 6.077 304 2HB ASP 38 1HB ASP 38 8.720 8.027 5.004 305 H ALA 39 H ALA 39 5.076 7.783 2.736 306 HA ALA 39 HA ALA 39 6.134 5.087 2.612 307 1HB ALA 39 1HB ALA 39 4.055 4.544 1.875 308 2HB ALA 39 2HB ALA 39 4.069 5.800 0.637 309 3HB ALA 39 3HB ALA 39 3.638 6.204 2.298 310 H ASP 40 H ASP 40 7.957 4.757 1.398 311 HA ASP 40 HA ASP 40 8.845 6.299 -0.784 312 1HB ASP 40 2HB ASP 40 10.179 4.538 0.426 313 2HB ASP 40 1HB ASP 40 9.271 3.315 -0.464 314 H ALA 41 H ALA 41 6.627 3.532 -0.733 315 HA ALA 41 HA ALA 41 5.932 4.194 -3.562 316 1HB ALA 41 1HB ALA 41 5.580 1.371 -2.810 317 2HB ALA 41 2HB ALA 41 7.264 1.896 -2.828 318 3HB ALA 41 3HB ALA 41 6.272 2.066 -4.276 319 H VAL 42 H VAL 42 3.767 4.513 -3.831 320 HA VAL 42 HA VAL 42 1.985 3.764 -1.560 321 HB VAL 42 HB VAL 42 1.512 5.725 -3.827 322 1HG1 VAL 42 1HG1 VAL 42 -0.639 5.375 -3.163 323 2HG1 VAL 42 2HG1 VAL 42 -0.188 6.387 -1.792 324 3HG1 VAL 42 3HG1 VAL 42 -0.150 4.630 -1.641 325 1HG2 VAL 42 1HG2 VAL 42 1.689 7.346 -1.795 326 2HG2 VAL 42 2HG2 VAL 42 3.182 6.717 -2.491 327 3HG2 VAL 42 3HG2 VAL 42 2.537 6.016 -1.006 328 H ILE 43 H ILE 43 1.015 1.825 -1.927 329 HA ILE 43 HA ILE 43 0.219 1.140 -4.720 330 HB ILE 43 HB ILE 43 0.147 -0.759 -2.380 331 1HG1 ILE 43 2HG1 ILE 43 2.557 -0.218 -4.144 332 2HG1 ILE 43 1HG1 ILE 43 2.394 0.381 -2.493 333 1HG2 ILE 43 1HG2 ILE 43 -0.840 -1.697 -4.309 334 2HG2 ILE 43 2HG2 ILE 43 0.815 -2.303 -4.355 335 3HG2 ILE 43 3HG2 ILE 43 0.342 -0.951 -5.384 336 1HD1 ILE 43 1HD1 ILE 43 1.862 -2.507 -2.816 337 2HD1 ILE 43 2HD1 ILE 43 2.790 -1.665 -1.577 338 3HD1 ILE 43 3HD1 ILE 43 3.526 -2.020 -3.139 339 H VAL 44 H VAL 44 -1.794 2.099 -4.970 340 HA VAL 44 HA VAL 44 -3.801 1.763 -2.808 341 HB VAL 44 HB VAL 44 -4.477 3.150 -5.362 342 1HG1 VAL 44 1HG1 VAL 44 -5.431 4.760 -3.615 343 2HG1 VAL 44 2HG1 VAL 44 -4.976 3.558 -2.407 344 3HG1 VAL 44 3HG1 VAL 44 -6.149 3.149 -3.659 345 1HG2 VAL 44 1HG2 VAL 44 -3.356 5.223 -4.109 346 2HG2 VAL 44 2HG2 VAL 44 -2.428 4.222 -5.227 347 3HG2 VAL 44 3HG2 VAL 44 -2.289 3.964 -3.487 348 H LEU 45 H LEU 45 -5.412 0.268 -2.964 349 HA LEU 45 HA LEU 45 -5.468 -1.494 -5.320 350 1HB LEU 45 2HB LEU 45 -6.245 -1.665 -2.541 351 2HB LEU 45 1HB LEU 45 -7.596 -2.138 -3.573 352 HG LEU 45 HG LEU 45 -6.088 -4.050 -2.990 353 1HD1 LEU 45 1HD1 LEU 45 -6.389 -3.154 -5.859 354 2HD1 LEU 45 2HD1 LEU 45 -7.348 -4.343 -4.978 355 3HD1 LEU 45 3HD1 LEU 45 -5.691 -4.721 -5.447 356 1HD2 LEU 45 1HD2 LEU 45 -3.955 -3.638 -4.762 357 2HD2 LEU 45 2HD2 LEU 45 -3.871 -3.620 -3.001 358 3HD2 LEU 45 3HD2 LEU 45 -4.108 -2.114 -3.887 359 H ALA 46 H ALA 46 -7.053 -1.470 -6.891 360 HA ALA 46 HA ALA 46 -9.085 0.699 -6.678 361 1HB ALA 46 1HB ALA 46 -9.368 0.128 -9.186 362 2HB ALA 46 2HB ALA 46 -7.886 -0.812 -9.002 363 3HB ALA 46 3HB ALA 46 -7.873 0.926 -8.698 364 H GLY 47 H GLY 47 -9.241 -2.034 -5.391 365 1HA GLY 47 2HA GLY 47 -11.674 -3.044 -6.805 366 2HA GLY 47 1HA GLY 47 -10.651 -4.037 -5.767 367 H LEU 48 H LEU 48 -10.368 -2.051 -3.665 368 HA LEU 48 HA LEU 48 -13.175 -2.051 -2.621 369 1HB LEU 48 2HB LEU 48 -12.232 -2.378 -0.380 370 2HB LEU 48 1HB LEU 48 -11.691 -3.668 -1.454 371 HG LEU 48 HG LEU 48 -9.699 -1.915 -1.880 372 1HD1 LEU 48 1HD1 LEU 48 -9.139 -1.064 0.507 373 2HD1 LEU 48 2HD1 LEU 48 -10.858 -1.283 0.831 374 3HD1 LEU 48 3HD1 LEU 48 -10.334 -0.166 -0.429 375 1HD2 LEU 48 1HD2 LEU 48 -9.919 -3.794 0.495 376 2HD2 LEU 48 2HD2 LEU 48 -8.408 -3.191 -0.190 377 3HD2 LEU 48 3HD2 LEU 48 -9.448 -4.253 -1.142 378 H TRP 49 H TRP 49 -11.244 0.020 -3.985 379 HA TRP 49 HA TRP 49 -10.922 2.056 -1.927 380 1HB TRP 49 2HB TRP 49 -9.985 3.404 -3.625 381 2HB TRP 49 1HB TRP 49 -9.546 1.765 -4.106 382 HD1 TRP 49 HD1 TRP 49 -11.712 0.616 -5.705 383 HE1 TRP 49 HE1 TRP 49 -12.725 1.713 -7.807 384 HE3 TRP 49 HE3 TRP 49 -10.352 5.474 -4.906 385 HZ2 TRP 49 HZ2 TRP 49 -12.933 4.312 -8.993 386 HZ3 TRP 49 HZ3 TRP 49 -10.969 7.239 -6.534 387 HH2 TRP 49 HH2 TRP 49 -12.256 6.663 -8.575 388 H GLY 50 H GLY 50 -13.457 1.070 -4.065 389 1HA GLY 50 2HA GLY 50 -14.891 3.545 -4.245 390 2HA GLY 50 1HA GLY 50 -15.607 1.942 -4.431 391 H THR 51 H THR 51 -14.280 1.481 -1.602 392 HA THR 51 HA THR 51 -16.687 2.420 -0.127 393 HB THR 51 HB THR 51 -16.357 0.647 1.343 394 HG1 THR 51 HG1 THR 51 -14.461 0.393 2.163 395 1HG2 THR 51 1HG2 THR 51 -16.411 -1.125 -0.064 396 2HG2 THR 51 2HG2 THR 51 -14.788 -0.800 -0.671 397 3HG2 THR 51 3HG2 THR 51 -16.171 0.063 -1.344 398 H ARG 52 H ARG 52 -13.136 2.468 0.017 399 HA ARG 52 HA ARG 52 -13.329 4.558 2.142 400 1HB ARG 52 2HB ARG 52 -11.280 2.488 1.448 401 2HB ARG 52 1HB ARG 52 -10.732 3.994 2.185 402 1HG ARG 52 2HG ARG 52 -11.699 3.516 4.198 403 2HG ARG 52 1HG ARG 52 -13.099 2.741 3.454 404 1HD ARG 52 2HD ARG 52 -12.041 0.680 3.282 405 2HD ARG 52 1HD ARG 52 -10.430 1.395 3.243 406 HE ARG 52 HE ARG 52 -11.102 1.999 5.761 407 1HH1 ARG 52 1HH2 ARG 52 -9.630 -0.597 4.974 408 2HH1 ARG 52 2HH2 ARG 52 -10.540 -1.760 5.878 409 1HH2 ARG 52 2HH1 ARG 52 -13.191 0.391 6.488 410 2HH2 ARG 52 1HH1 ARG 52 -12.556 -1.202 6.735 411 H ARG 53 H ARG 53 -13.952 5.496 -0.339 412 HA ARG 53 HA ARG 53 -11.654 6.380 -1.856 413 1HB ARG 53 2HB ARG 53 -14.338 6.283 -2.345 414 2HB ARG 53 1HB ARG 53 -14.125 8.000 -2.007 415 1HG ARG 53 2HG ARG 53 -13.057 8.346 -3.966 416 2HG ARG 53 1HG ARG 53 -12.002 6.954 -3.714 417 1HD ARG 53 2HD ARG 53 -13.410 5.506 -4.829 418 2HD ARG 53 1HD ARG 53 -14.858 6.418 -4.401 419 HE ARG 53 HE ARG 53 -13.093 7.851 -6.235 420 1HH1 ARG 53 2HH1 ARG 53 -15.269 5.206 -6.082 421 2HH1 ARG 53 1HH1 ARG 53 -16.079 5.603 -7.561 422 1HH2 ARG 53 1HH2 ARG 53 -14.293 8.532 -8.064 423 2HH2 ARG 53 2HH2 ARG 53 -15.526 7.485 -8.684 424 H ASP 54 H ASP 54 -13.541 7.724 0.801 425 HA ASP 54 HA ASP 54 -12.631 10.403 0.713 426 1HB ASP 54 2HB ASP 54 -13.097 8.801 3.241 427 2HB ASP 54 1HB ASP 54 -13.266 10.544 3.030 428 H GLU 55 H GLU 55 -11.229 7.630 2.498 429 HA GLU 55 HA GLU 55 -8.931 9.116 3.404 430 1HB GLU 55 2HB GLU 55 -9.612 6.187 3.207 431 2HB GLU 55 1HB GLU 55 -7.986 6.696 3.660 432 1HG GLU 55 2HG GLU 55 -8.701 7.688 5.644 433 2HG GLU 55 1HG GLU 55 -10.347 7.918 5.053 434 H ILE 56 H ILE 56 -9.192 6.567 0.896 435 HA ILE 56 HA ILE 56 -6.652 6.669 -0.181 436 HB ILE 56 HB ILE 56 -9.254 6.548 -1.737 437 1HG1 ILE 56 2HG1 ILE 56 -8.942 4.847 0.095 438 2HG1 ILE 56 1HG1 ILE 56 -9.028 4.140 -1.519 439 1HG2 ILE 56 1HG2 ILE 56 -7.979 6.413 -3.585 440 2HG2 ILE 56 2HG2 ILE 56 -7.140 5.023 -2.898 441 3HG2 ILE 56 3HG2 ILE 56 -6.529 6.652 -2.610 442 1HD1 ILE 56 1HD1 ILE 56 -6.303 4.804 -1.031 443 2HD1 ILE 56 2HD1 ILE 56 -7.011 3.198 -1.200 444 3HD1 ILE 56 3HD1 ILE 56 -6.899 3.950 0.392 445 H LEU 57 H LEU 57 -9.115 9.144 -0.383 446 HA LEU 57 HA LEU 57 -7.944 10.627 -2.562 447 1HB LEU 57 2HB LEU 57 -10.263 10.822 -1.049 448 2HB LEU 57 1HB LEU 57 -9.341 12.245 -0.559 449 HG LEU 57 HG LEU 57 -8.942 12.340 -3.234 450 1HD1 LEU 57 1HD1 LEU 57 -11.504 11.956 -3.975 451 2HD1 LEU 57 2HD1 LEU 57 -11.380 10.706 -2.736 452 3HD1 LEU 57 3HD1 LEU 57 -10.281 10.693 -4.115 453 1HD2 LEU 57 1HD2 LEU 57 -9.978 14.319 -2.911 454 2HD2 LEU 57 2HD2 LEU 57 -10.394 13.763 -1.290 455 3HD2 LEU 57 3HD2 LEU 57 -11.523 13.520 -2.623 456 H GLY 58 H GLY 58 -7.926 11.333 0.957 457 1HA GLY 58 2HA GLY 58 -6.054 13.420 0.915 458 2HA GLY 58 1HA GLY 58 -6.245 12.313 2.275 459 H ALA 59 H ALA 59 -5.513 9.958 0.620 460 HA ALA 59 HA ALA 59 -2.668 10.024 1.079 461 1HB ALA 59 1HB ALA 59 -4.507 8.090 -0.337 462 2HB ALA 59 2HB ALA 59 -3.695 7.888 1.215 463 3HB ALA 59 3HB ALA 59 -2.763 7.837 -0.281 464 H VAL 60 H VAL 60 -4.510 9.754 -1.990 465 HA VAL 60 HA VAL 60 -2.371 10.032 -3.769 466 HB VAL 60 HB VAL 60 -5.146 11.230 -4.048 467 1HG1 VAL 60 1HG1 VAL 60 -4.273 12.096 -5.948 468 2HG1 VAL 60 2HG1 VAL 60 -4.218 10.436 -6.542 469 3HG1 VAL 60 3HG1 VAL 60 -2.792 11.152 -5.789 470 1HG2 VAL 60 1HG2 VAL 60 -5.346 8.872 -3.634 471 2HG2 VAL 60 2HG2 VAL 60 -3.984 8.507 -4.691 472 3HG2 VAL 60 3HG2 VAL 60 -5.503 9.083 -5.378 473 H ASP 61 H ASP 61 -4.250 12.626 -2.193 474 HA ASP 61 HA ASP 61 -2.976 14.835 -3.409 475 1HB ASP 61 2HB ASP 61 -4.796 14.437 -1.298 476 2HB ASP 61 1HB ASP 61 -3.450 15.331 -0.593 477 H LEU 62 H LEU 62 -2.074 13.100 -0.416 478 HA LEU 62 HA LEU 62 0.220 14.611 0.235 479 1HB LEU 62 2HB LEU 62 -0.771 11.883 0.811 480 2HB LEU 62 1HB LEU 62 0.975 12.086 0.956 481 HG LEU 62 HG LEU 62 -1.149 13.750 2.341 482 1HD1 LEU 62 1HD1 LEU 62 -0.594 12.616 4.297 483 2HD1 LEU 62 2HD1 LEU 62 1.005 12.168 3.704 484 3HD1 LEU 62 3HD1 LEU 62 -0.425 11.325 3.108 485 1HD2 LEU 62 1HD2 LEU 62 0.514 15.327 2.119 486 2HD2 LEU 62 2HD2 LEU 62 1.778 14.116 1.904 487 3HD2 LEU 62 3HD2 LEU 62 1.163 14.472 3.518 488 H ALA 63 H ALA 63 -0.251 12.091 -2.176 489 HA ALA 63 HA ALA 63 2.555 11.726 -2.775 490 1HB ALA 63 1HB ALA 63 1.546 9.967 -3.778 491 2HB ALA 63 2HB ALA 63 1.167 11.080 -5.093 492 3HB ALA 63 3HB ALA 63 -0.014 10.788 -3.815 493 H ARG 64 H ARG 64 -0.004 13.812 -4.079 494 HA ARG 64 HA ARG 64 1.547 14.847 -6.268 495 1HB ARG 64 2HB ARG 64 -0.919 15.741 -4.801 496 2HB ARG 64 1HB ARG 64 -0.143 16.836 -5.947 497 1HG ARG 64 2HG ARG 64 -0.965 15.690 -7.702 498 2HG ARG 64 1HG ARG 64 -0.347 14.167 -7.062 499 1HD ARG 64 2HD ARG 64 -2.794 14.075 -7.258 500 2HD ARG 64 1HD ARG 64 -2.314 14.013 -5.563 501 HE ARG 64 HE ARG 64 -3.390 16.088 -5.249 502 1HH1 ARG 64 2HH1 ARG 64 -1.783 17.402 -7.504 503 2HH1 ARG 64 1HH1 ARG 64 -3.061 17.943 -8.542 504 1HH2 ARG 64 1HH2 ARG 64 -5.473 15.949 -7.050 505 2HH2 ARG 64 2HH2 ARG 64 -5.150 17.120 -8.284 506 H LYS 65 H LYS 65 1.558 15.482 -2.861 507 HA LYS 65 HA LYS 65 3.004 18.044 -3.228 508 1HB LYS 65 2HB LYS 65 1.590 16.692 -1.008 509 2HB LYS 65 1HB LYS 65 3.042 17.580 -0.540 510 1HG LYS 65 2HG LYS 65 0.870 18.773 -2.281 511 2HG LYS 65 1HG LYS 65 0.900 18.945 -0.526 512 1HD LYS 65 2HD LYS 65 2.345 20.655 -0.722 513 2HD LYS 65 1HD LYS 65 3.506 19.574 -1.494 514 1HE LYS 65 2HE LYS 65 3.216 21.103 -3.203 515 2HE LYS 65 1HE LYS 65 1.930 19.966 -3.605 516 1HZ LYS 65 1HZ LYS 65 0.697 21.834 -3.558 517 2HZ LYS 65 2HZ LYS 65 1.758 22.657 -2.518 518 3HZ LYS 65 3HZ LYS 65 0.654 21.527 -1.891 519 H SER 66 H SER 66 3.581 14.690 -2.414 520 HA SER 66 HA SER 66 6.438 15.352 -1.840 521 1HB SER 66 2HB SER 66 5.301 14.095 -0.052 522 2HB SER 66 1HB SER 66 4.849 12.845 -1.208 523 HG SER 66 HG SER 66 7.540 13.580 -1.022 524 H SER 67 H SER 67 4.829 14.852 -4.481 525 HA SER 67 HA SER 67 5.171 13.689 -6.503 526 1HB SER 67 2HB SER 67 7.517 13.654 -7.200 527 2HB SER 67 1HB SER 67 7.175 15.161 -6.356 528 HG SER 67 HG SER 67 9.130 14.002 -5.702 529 H LYS 68 H LYS 68 4.486 11.954 -4.345 530 HA LYS 68 HA LYS 68 6.337 9.674 -4.417 531 1HB LYS 68 2HB LYS 68 4.085 10.517 -2.807 532 2HB LYS 68 1HB LYS 68 3.855 8.854 -3.351 533 1HG LYS 68 2HG LYS 68 5.098 8.921 -1.219 534 2HG LYS 68 1HG LYS 68 6.098 8.264 -2.512 535 1HD LYS 68 2HD LYS 68 7.169 10.454 -2.824 536 2HD LYS 68 1HD LYS 68 6.150 11.141 -1.559 537 1HE LYS 68 2HE LYS 68 7.858 10.591 -0.166 538 2HE LYS 68 1HE LYS 68 7.216 8.954 -0.286 539 1HZ LYS 68 1HZ LYS 68 9.490 8.817 -0.816 540 2HZ LYS 68 2HZ LYS 68 9.420 10.161 -1.853 541 3HZ LYS 68 3HZ LYS 68 8.671 8.704 -2.298 542 HA PRO 69 HA PRO 69 4.449 7.668 -7.842 543 1HB PRO 69 2HB PRO 69 5.192 5.085 -7.260 544 2HB PRO 69 1HB PRO 69 6.309 6.307 -7.893 545 1HG PRO 69 2HG PRO 69 6.090 5.219 -5.126 546 2HG PRO 69 1HG PRO 69 7.495 5.916 -5.950 547 1HD PRO 69 2HD PRO 69 5.867 7.230 -4.040 548 2HD PRO 69 1HD PRO 69 7.063 8.004 -5.102 549 H ILE 70 H ILE 70 2.249 7.382 -7.965 550 HA ILE 70 HA ILE 70 0.921 5.757 -5.839 551 HB ILE 70 HB ILE 70 -0.454 7.584 -7.817 552 1HG1 ILE 70 2HG1 ILE 70 -0.115 8.609 -5.093 553 2HG1 ILE 70 1HG1 ILE 70 1.419 8.431 -5.945 554 1HG2 ILE 70 1HG2 ILE 70 -1.682 5.807 -6.417 555 2HG2 ILE 70 2HG2 ILE 70 -2.286 7.461 -6.313 556 3HG2 ILE 70 3HG2 ILE 70 -1.283 6.804 -5.019 557 1HD1 ILE 70 1HD1 ILE 70 -0.702 9.576 -7.618 558 2HD1 ILE 70 2HD1 ILE 70 0.952 10.132 -7.366 559 3HD1 ILE 70 3HD1 ILE 70 -0.311 10.571 -6.215 560 H ILE 71 H ILE 71 1.342 3.701 -6.800 561 HA ILE 71 HA ILE 71 0.339 3.249 -9.551 562 HB ILE 71 HB ILE 71 1.799 1.462 -7.584 563 1HG1 ILE 71 2HG1 ILE 71 3.065 1.844 -10.138 564 2HG1 ILE 71 1HG1 ILE 71 2.651 3.421 -9.463 565 1HG2 ILE 71 1HG2 ILE 71 1.779 -0.263 -9.227 566 2HG2 ILE 71 2HG2 ILE 71 1.146 0.822 -10.467 567 3HG2 ILE 71 3HG2 ILE 71 0.111 0.304 -9.135 568 1HD1 ILE 71 1HD1 ILE 71 4.572 1.383 -8.472 569 2HD1 ILE 71 2HD1 ILE 71 3.625 2.221 -7.243 570 3HD1 ILE 71 3HD1 ILE 71 4.636 3.142 -8.356 571 H THR 72 H THR 72 -1.662 2.413 -9.913 572 HA THR 72 HA THR 72 -3.196 1.440 -7.552 573 HB THR 72 HB THR 72 -4.205 2.219 -10.304 574 HG1 THR 72 HG1 THR 72 -4.159 3.645 -7.854 575 1HG2 THR 72 1HG2 THR 72 -5.472 0.652 -8.524 576 2HG2 THR 72 2HG2 THR 72 -6.328 1.824 -9.527 577 3HG2 THR 72 3HG2 THR 72 -5.906 2.228 -7.863 578 H VAL 73 H VAL 73 -3.754 -0.688 -7.411 579 HA VAL 73 HA VAL 73 -2.901 -2.486 -9.598 580 HB VAL 73 HB VAL 73 -3.867 -2.986 -6.771 581 1HG1 VAL 73 1HG1 VAL 73 -3.644 -4.780 -9.103 582 2HG1 VAL 73 2HG1 VAL 73 -4.543 -4.994 -7.601 583 3HG1 VAL 73 3HG1 VAL 73 -2.819 -5.359 -7.656 584 1HG2 VAL 73 1HG2 VAL 73 -1.466 -2.123 -7.436 585 2HG2 VAL 73 2HG2 VAL 73 -1.218 -3.796 -7.937 586 3HG2 VAL 73 3HG2 VAL 73 -1.631 -3.427 -6.262 587 H ARG 74 H ARG 74 -4.352 -3.219 -11.065 588 HA ARG 74 HA ARG 74 -7.032 -2.458 -11.233 589 1HB ARG 74 2HB ARG 74 -5.401 -4.654 -12.391 590 2HB ARG 74 1HB ARG 74 -7.151 -4.868 -12.460 591 1HG ARG 74 2HG ARG 74 -7.131 -2.378 -13.315 592 2HG ARG 74 1HG ARG 74 -5.453 -2.738 -13.722 593 1HD ARG 74 2HD ARG 74 -7.940 -4.144 -14.715 594 2HD ARG 74 1HD ARG 74 -6.730 -3.285 -15.669 595 HE ARG 74 HE ARG 74 -6.307 -5.938 -14.371 596 1HH1 ARG 74 1HH2 ARG 74 -3.740 -4.548 -14.614 597 2HH1 ARG 74 2HH2 ARG 74 -3.218 -4.948 -16.216 598 1HH2 ARG 74 2HH1 ARG 74 -6.359 -5.968 -17.273 599 2HH2 ARG 74 1HH1 ARG 74 -4.699 -5.751 -17.721 600 HA PRO 75 HA PRO 75 -9.131 -4.850 -8.206 601 1HB PRO 75 2HB PRO 75 -11.629 -4.867 -9.358 602 2HB PRO 75 1HB PRO 75 -10.934 -3.452 -8.549 603 1HG PRO 75 2HG PRO 75 -11.282 -3.962 -11.468 604 2HG PRO 75 1HG PRO 75 -11.213 -2.420 -10.598 605 1HD PRO 75 2HD PRO 75 -9.103 -3.571 -12.087 606 2HD PRO 75 1HD PRO 75 -8.954 -2.226 -10.936 607 H TYR 76 H TYR 76 -11.308 -6.609 -8.735 608 HA TYR 76 HA TYR 76 -9.941 -8.727 -10.348 609 1HB TYR 76 2HB TYR 76 -10.537 -8.819 -7.656 610 2HB TYR 76 1HB TYR 76 -11.917 -9.647 -8.378 611 HD1 TYR 76 HD1 TYR 76 -11.563 -11.625 -9.861 612 HD2 TYR 76 HD2 TYR 76 -8.336 -9.790 -7.694 613 HE1 TYR 76 HE1 TYR 76 -10.164 -13.641 -10.236 614 HE2 TYR 76 HE2 TYR 76 -6.939 -11.805 -8.069 615 HH TYR 76 HH TYR 76 -7.038 -14.023 -8.677 616 H GLY 77 H GLY 77 -12.217 -6.613 -10.840 617 1HA GLY 77 2HA GLY 77 -13.636 -7.235 -12.876 618 2HA GLY 77 1HA GLY 77 -14.208 -8.583 -11.892 619 H LEU 78 H LEU 78 -13.694 -5.926 -9.910 620 HA LEU 78 HA LEU 78 -16.616 -5.414 -9.822 621 1HB LEU 78 2HB LEU 78 -14.334 -4.799 -7.936 622 2HB LEU 78 1HB LEU 78 -15.941 -4.106 -7.715 623 HG LEU 78 HG LEU 78 -16.293 -6.883 -8.209 624 1HD1 LEU 78 1HD1 LEU 78 -13.762 -6.395 -7.040 625 2HD1 LEU 78 2HD1 LEU 78 -14.593 -7.944 -7.180 626 3HD1 LEU 78 3HD1 LEU 78 -14.808 -6.956 -5.735 627 1HD2 LEU 78 1HD2 LEU 78 -16.602 -5.032 -5.845 628 2HD2 LEU 78 2HD2 LEU 78 -17.003 -6.743 -5.717 629 3HD2 LEU 78 3HD2 LEU 78 -17.859 -5.720 -6.871 630 H GLU 79 H GLU 79 -16.179 -4.251 -12.004 631 HA GLU 79 HA GLU 79 -16.223 -2.218 -13.141 632 1HB GLU 79 2HB GLU 79 -17.569 -1.405 -11.245 633 2HB GLU 79 1HB GLU 79 -16.095 -1.010 -10.365 634 1HG GLU 79 2HG GLU 79 -16.378 1.037 -11.331 635 2HG GLU 79 1HG GLU 79 -15.617 0.259 -12.720 636 H ASN 80 H ASN 80 -14.658 -1.078 -14.116 637 HA ASN 80 HA ASN 80 -11.897 -1.486 -13.250 638 1HB ASN 80 2HB ASN 80 -13.282 -0.603 -15.671 639 2HB ASN 80 1HB ASN 80 -11.840 0.357 -15.334 640 1HD2 ASN 80 1HD2 ASN 80 -12.808 -3.129 -15.268 641 2HD2 ASN 80 2HD2 ASN 80 -11.351 -3.691 -15.933 642 H VAL 81 H VAL 81 -10.683 0.926 -13.982 643 HA VAL 81 HA VAL 81 -11.409 2.597 -11.653 644 HB VAL 81 HB VAL 81 -9.291 3.860 -12.411 645 1HG1 VAL 81 1HG1 VAL 81 -8.766 0.955 -11.800 646 2HG1 VAL 81 2HG1 VAL 81 -9.561 1.989 -10.614 647 3HG1 VAL 81 3HG1 VAL 81 -7.938 2.383 -11.178 648 1HG2 VAL 81 1HG2 VAL 81 -8.405 1.425 -13.816 649 2HG2 VAL 81 2HG2 VAL 81 -8.114 3.119 -14.211 650 3HG2 VAL 81 3HG2 VAL 81 -9.629 2.351 -14.686 651 HA PRO 82 HA PRO 82 -13.424 5.625 -14.117 652 1HB PRO 82 2HB PRO 82 -13.156 7.762 -12.408 653 2HB PRO 82 1HB PRO 82 -14.303 6.437 -12.147 654 1HG PRO 82 2HG PRO 82 -11.725 6.988 -10.752 655 2HG PRO 82 1HG PRO 82 -13.155 6.123 -10.166 656 1HD PRO 82 2HD PRO 82 -10.762 4.931 -11.099 657 2HD PRO 82 1HD PRO 82 -12.307 4.097 -10.823 658 HA PRO 83 HA PRO 83 -10.446 8.158 -16.163 659 1HB PRO 83 2HB PRO 83 -11.908 10.421 -16.721 660 2HB PRO 83 1HB PRO 83 -12.129 8.878 -17.566 661 1HG PRO 83 2HG PRO 83 -13.859 10.149 -15.494 662 2HG PRO 83 1HG PRO 83 -14.299 9.009 -16.777 663 1HD PRO 83 2HD PRO 83 -13.932 8.366 -14.047 664 2HD PRO 83 1HD PRO 83 -14.036 7.205 -15.387 665 H GLU 84 H GLU 84 -11.636 9.068 -13.140 666 HA GLU 84 HA GLU 84 -10.233 11.641 -12.963 667 1HB GLU 84 2HB GLU 84 -11.158 10.148 -10.538 668 2HB GLU 84 1HB GLU 84 -11.236 11.875 -10.886 669 1HG GLU 84 2HG GLU 84 -12.887 11.129 -12.793 670 2HG GLU 84 1HG GLU 84 -13.064 9.676 -11.808 671 H LEU 85 H LEU 85 -9.842 8.387 -11.524 672 HA LEU 85 HA LEU 85 -7.334 9.028 -10.249 673 1HB LEU 85 2HB LEU 85 -9.092 6.784 -10.398 674 2HB LEU 85 1HB LEU 85 -7.479 6.234 -10.849 675 HG LEU 85 HG LEU 85 -7.363 8.056 -8.591 676 1HD1 LEU 85 1HD1 LEU 85 -9.227 7.376 -7.497 677 2HD1 LEU 85 2HD1 LEU 85 -8.367 5.856 -7.246 678 3HD1 LEU 85 3HD1 LEU 85 -9.482 6.027 -8.603 679 1HD2 LEU 85 1HD2 LEU 85 -6.704 5.116 -8.576 680 2HD2 LEU 85 2HD2 LEU 85 -5.862 6.440 -7.772 681 3HD2 LEU 85 3HD2 LEU 85 -5.727 6.241 -9.519 682 H GLU 86 H GLU 86 -8.229 7.971 -13.462 683 HA GLU 86 HA GLU 86 -5.645 7.017 -14.282 684 1HB GLU 86 2HB GLU 86 -8.213 7.597 -15.530 685 2HB GLU 86 1HB GLU 86 -6.866 8.086 -16.558 686 1HG GLU 86 2HG GLU 86 -5.871 5.750 -15.948 687 2HG GLU 86 1HG GLU 86 -7.528 5.350 -15.495 688 H ALA 87 H ALA 87 -6.768 10.131 -13.521 689 HA ALA 87 HA ALA 87 -4.727 11.446 -15.241 690 1HB ALA 87 1HB ALA 87 -7.310 12.190 -14.517 691 2HB ALA 87 2HB ALA 87 -6.097 13.246 -15.241 692 3HB ALA 87 3HB ALA 87 -6.286 13.192 -13.489 693 H VAL 88 H VAL 88 -5.159 10.263 -12.087 694 HA VAL 88 HA VAL 88 -2.849 11.913 -11.141 695 HB VAL 88 HB VAL 88 -3.816 11.476 -8.813 696 1HG1 VAL 88 1HG1 VAL 88 -5.387 13.342 -8.988 697 2HG1 VAL 88 2HG1 VAL 88 -5.510 13.105 -10.732 698 3HG1 VAL 88 3HG1 VAL 88 -3.991 13.652 -10.022 699 1HG2 VAL 88 1HG2 VAL 88 -5.333 9.654 -9.412 700 2HG2 VAL 88 2HG2 VAL 88 -6.201 10.710 -10.527 701 3HG2 VAL 88 3HG2 VAL 88 -6.270 11.012 -8.791 702 H SER 89 H SER 89 -3.526 8.991 -12.290 703 HA SER 89 HA SER 89 -2.163 7.416 -10.177 704 1HB SER 89 2HB SER 89 -2.607 5.519 -11.857 705 2HB SER 89 1HB SER 89 -4.016 6.251 -11.096 706 HG SER 89 HG SER 89 -3.131 6.345 -13.718 707 H SER 90 H SER 90 -0.030 6.890 -10.323 708 HA SER 90 HA SER 90 1.570 8.009 -12.480 709 1HB SER 90 2HB SER 90 2.104 6.506 -9.953 710 2HB SER 90 1HB SER 90 3.355 6.499 -11.193 711 HG SER 90 HG SER 90 2.168 8.704 -9.870 712 H GLU 91 H GLU 91 0.508 4.753 -11.533 713 HA GLU 91 HA GLU 91 0.910 3.826 -14.281 714 1HB GLU 91 2HB GLU 91 2.922 3.339 -12.221 715 2HB GLU 91 1HB GLU 91 2.289 1.839 -12.899 716 1HG GLU 91 2HG GLU 91 2.766 3.838 -14.965 717 2HG GLU 91 1HG GLU 91 4.233 3.467 -14.059 718 H VAL 92 H VAL 92 0.380 1.360 -14.343 719 HA VAL 92 HA VAL 92 -1.703 0.768 -12.279 720 HB VAL 92 HB VAL 92 -2.941 -0.398 -14.170 721 1HG1 VAL 92 1HG1 VAL 92 -3.165 2.191 -15.245 722 2HG1 VAL 92 2HG1 VAL 92 -2.697 2.428 -13.562 723 3HG1 VAL 92 3HG1 VAL 92 -4.143 1.497 -13.952 724 1HG2 VAL 92 1HG2 VAL 92 -0.832 1.099 -15.747 725 2HG2 VAL 92 2HG2 VAL 92 -2.338 0.526 -16.464 726 3HG2 VAL 92 3HG2 VAL 92 -1.184 -0.628 -15.796 727 H VAL 93 H VAL 93 -2.042 -1.532 -11.893 728 HA VAL 93 HA VAL 93 0.262 -3.220 -12.785 729 HB VAL 93 HB VAL 93 -1.143 -3.568 -10.140 730 1HG1 VAL 93 1HG1 VAL 93 0.582 -5.020 -9.652 731 2HG1 VAL 93 2HG1 VAL 93 1.740 -4.147 -10.655 732 3HG1 VAL 93 3HG1 VAL 93 0.550 -5.212 -11.404 733 1HG2 VAL 93 1HG2 VAL 93 -0.158 -1.722 -9.307 734 2HG2 VAL 93 2HG2 VAL 93 0.423 -1.320 -10.923 735 3HG2 VAL 93 3HG2 VAL 93 1.417 -2.303 -9.848 736 H GLY 94 H GLY 94 -0.236 -5.389 -13.290 737 1HA GLY 94 2HA GLY 94 -3.164 -5.958 -13.514 738 2HA GLY 94 1HA GLY 94 -1.947 -6.594 -14.621 739 H TRP 95 H TRP 95 -2.915 -8.726 -14.015 740 HA TRP 95 HA TRP 95 -2.164 -9.651 -11.292 741 1HB TRP 95 2HB TRP 95 -3.916 -10.801 -13.470 742 2HB TRP 95 1HB TRP 95 -3.424 -11.750 -12.064 743 HD1 TRP 95 HD1 TRP 95 -6.087 -9.524 -13.166 744 HE1 TRP 95 HE1 TRP 95 -7.432 -8.605 -11.166 745 HE3 TRP 95 HE3 TRP 95 -2.945 -10.780 -9.339 746 HZ2 TRP 95 HZ2 TRP 95 -7.206 -8.430 -8.319 747 HZ3 TRP 95 HZ3 TRP 95 -3.533 -10.226 -6.996 748 HH2 TRP 95 HH2 TRP 95 -5.658 -9.053 -6.482 749 H ASN 96 H ASN 96 -0.355 -9.165 -13.748 750 HA ASN 96 HA ASN 96 0.665 -11.880 -14.277 751 1HB ASN 96 2HB ASN 96 2.035 -9.326 -15.104 752 2HB ASN 96 1HB ASN 96 2.026 -10.890 -15.921 753 1HD2 ASN 96 1HD2 ASN 96 0.319 -7.859 -15.583 754 2HD2 ASN 96 2HD2 ASN 96 -0.925 -8.209 -16.684 755 HA PRO 97 HA PRO 97 3.736 -11.767 -11.144 756 1HB PRO 97 2HB PRO 97 5.625 -13.387 -12.314 757 2HB PRO 97 1HB PRO 97 4.116 -13.992 -11.608 758 1HG PRO 97 2HG PRO 97 4.852 -13.682 -14.482 759 2HG PRO 97 1HG PRO 97 3.705 -14.805 -13.733 760 1HD PRO 97 2HD PRO 97 3.034 -12.427 -15.113 761 2HD PRO 97 1HD PRO 97 1.945 -13.375 -14.076 762 H HIS 98 H HIS 98 4.795 -11.085 -14.463 763 HA HIS 98 HA HIS 98 7.305 -9.862 -13.624 764 1HB HIS 98 2HB HIS 98 6.021 -10.583 -16.108 765 2HB HIS 98 1HB HIS 98 6.601 -8.920 -16.196 766 HD1 HIS 98 HD1 HIS 98 7.800 -12.455 -15.728 767 HD2 HIS 98 HD2 HIS 98 9.424 -8.634 -16.102 768 HE1 HIS 98 HE1 HIS 98 10.292 -12.765 -16.053 769 H CYS 99 H CYS 99 4.019 -8.818 -13.929 770 HA CYS 99 HA CYS 99 4.550 -5.999 -14.303 771 1HB CYS 99 2HB CYS 99 2.217 -7.708 -13.747 772 2HB CYS 99 1HB CYS 99 2.120 -6.103 -13.021 773 HG CYS 99 HG CYS 99 2.147 -6.704 -16.052 774 H ILE 100 H ILE 100 5.039 -8.077 -11.675 775 HA ILE 100 HA ILE 100 4.455 -6.175 -9.549 776 HB ILE 100 HB ILE 100 6.288 -8.579 -9.397 777 1HG1 ILE 100 2HG1 ILE 100 4.127 -9.231 -10.413 778 2HG1 ILE 100 1HG1 ILE 100 4.280 -9.875 -8.778 779 1HG2 ILE 100 1HG2 ILE 100 5.844 -6.694 -7.532 780 2HG2 ILE 100 2HG2 ILE 100 6.080 -8.392 -7.116 781 3HG2 ILE 100 3HG2 ILE 100 4.450 -7.726 -7.214 782 1HD1 ILE 100 1HD1 ILE 100 2.468 -8.731 -8.088 783 2HD1 ILE 100 2HD1 ILE 100 2.185 -8.283 -9.770 784 3HD1 ILE 100 3HD1 ILE 100 3.120 -7.220 -8.719 785 H ARG 101 H ARG 101 7.577 -7.590 -10.602 786 HA ARG 101 HA ARG 101 9.107 -5.483 -9.352 787 1HB ARG 101 2HB ARG 101 9.676 -7.981 -10.409 788 2HB ARG 101 1HB ARG 101 10.443 -6.881 -11.555 789 1HG ARG 101 2HG ARG 101 12.136 -6.620 -10.097 790 2HG ARG 101 1HG ARG 101 11.005 -5.849 -8.983 791 1HD ARG 101 2HD ARG 101 10.606 -7.831 -7.806 792 2HD ARG 101 1HD ARG 101 11.123 -8.849 -9.152 793 HE ARG 101 HE ARG 101 13.044 -7.235 -7.520 794 1HH1 ARG 101 2HH1 ARG 101 11.940 -10.343 -8.000 795 2HH1 ARG 101 1HH1 ARG 101 13.489 -11.042 -8.334 796 1HH2 ARG 101 1HH2 ARG 101 15.124 -7.989 -8.508 797 2HH2 ARG 101 2HH2 ARG 101 15.293 -9.709 -8.622 798 H ASP 102 H ASP 102 7.811 -5.985 -12.594 799 HA ASP 102 HA ASP 102 9.324 -4.030 -13.987 800 1HB ASP 102 2HB ASP 102 7.905 -5.508 -15.240 801 2HB ASP 102 1HB ASP 102 6.472 -4.978 -14.356 802 H ALA 103 H ALA 103 6.472 -3.697 -11.912 803 HA ALA 103 HA ALA 103 6.095 -0.881 -12.537 804 1HB ALA 103 1HB ALA 103 4.766 -1.103 -10.239 805 2HB ALA 103 2HB ALA 103 4.950 -2.825 -10.573 806 3HB ALA 103 3HB ALA 103 4.123 -1.784 -11.734 807 H LEU 104 H LEU 104 7.895 -2.698 -10.109 808 HA LEU 104 HA LEU 104 8.455 -0.379 -8.451 809 1HB LEU 104 2HB LEU 104 9.264 -3.229 -8.529 810 2HB LEU 104 1HB LEU 104 10.441 -2.124 -7.818 811 HG LEU 104 HG LEU 104 7.546 -1.960 -7.018 812 1HD1 LEU 104 1HD1 LEU 104 8.628 -3.411 -4.999 813 2HD1 LEU 104 2HD1 LEU 104 9.503 -4.094 -6.369 814 3HD1 LEU 104 3HD1 LEU 104 7.740 -4.136 -6.339 815 1HD2 LEU 104 1HD2 LEU 104 8.344 -0.665 -5.294 816 2HD2 LEU 104 2HD2 LEU 104 9.658 -0.384 -6.436 817 3HD2 LEU 104 3HD2 LEU 104 9.842 -1.586 -5.159 818 H GLU 105 H GLU 105 9.845 -1.741 -11.336 819 HA GLU 105 HA GLU 105 12.459 -0.539 -11.076 820 1HB GLU 105 2HB GLU 105 11.926 -2.411 -12.653 821 2HB GLU 105 1HB GLU 105 10.978 -1.280 -13.618 822 1HG GLU 105 2HG GLU 105 13.207 -1.454 -14.582 823 2HG GLU 105 1HG GLU 105 13.019 0.147 -13.865 824 H ASP 106 H ASP 106 9.331 0.661 -11.989 825 HA ASP 106 HA ASP 106 10.198 2.921 -13.547 826 1HB ASP 106 2HB ASP 106 7.699 2.018 -12.252 827 2HB ASP 106 1HB ASP 106 7.862 3.768 -12.398 828 H ALA 107 H ALA 107 9.455 2.518 -10.079 829 HA ALA 107 HA ALA 107 10.006 5.261 -9.393 830 1HB ALA 107 1HB ALA 107 9.277 4.586 -7.369 831 2HB ALA 107 2HB ALA 107 10.584 3.411 -7.234 832 3HB ALA 107 3HB ALA 107 9.083 2.971 -8.048 833 H LEU 108 H LEU 108 12.019 2.566 -10.128 834 HA LEU 108 HA LEU 108 14.375 3.863 -8.851 835 1HB LEU 108 2HB LEU 108 13.774 1.102 -9.860 836 2HB LEU 108 1HB LEU 108 15.451 1.640 -9.795 837 HG LEU 108 HG LEU 108 14.220 2.413 -7.347 838 1HD1 LEU 108 1HD1 LEU 108 13.567 0.172 -6.486 839 2HD1 LEU 108 2HD1 LEU 108 13.751 -0.485 -8.112 840 3HD1 LEU 108 3HD1 LEU 108 12.504 0.717 -7.783 841 1HD2 LEU 108 1HD2 LEU 108 16.630 1.712 -7.970 842 2HD2 LEU 108 2HD2 LEU 108 16.065 0.056 -7.751 843 3HD2 LEU 108 3HD2 LEU 108 16.017 1.190 -6.401 844 H ASP 109 H ASP 109 12.833 4.509 -11.509 845 HA ASP 109 HA ASP 109 15.317 4.982 -13.057 846 1HB ASP 109 2HB ASP 109 14.027 2.794 -13.750 847 2HB ASP 109 1HB ASP 109 12.918 3.926 -14.524 848 H VAL 110 H VAL 110 15.246 7.174 -13.254 849 HA VAL 110 HA VAL 110 12.600 8.441 -13.828 850 HB VAL 110 HB VAL 110 15.150 9.638 -12.697 851 1HG1 VAL 110 1HG1 VAL 110 12.448 10.971 -12.954 852 2HG1 VAL 110 2HG1 VAL 110 13.681 11.115 -14.208 853 3HG1 VAL 110 3HG1 VAL 110 14.001 11.718 -12.581 854 1HG2 VAL 110 1HG2 VAL 110 14.214 8.541 -10.884 855 2HG2 VAL 110 2HG2 VAL 110 12.579 8.631 -11.541 856 3HG2 VAL 110 3HG2 VAL 110 13.314 10.056 -10.806 857 H ILE 111 HN ILE 111 15.856 7.958 -14.994 858 HA ILE 111 HA ILE 111 15.212 8.600 -17.683 859 HB ILE 111 HB ILE 111 15.065 10.920 -16.639 860 1HG1 ILE 111 2HG1 ILE 111 17.309 10.767 -18.647 861 2HG1 ILE 111 1HG1 ILE 111 15.673 10.283 -19.094 862 1HG2 ILE 111 1HG2 ILE 111 17.274 10.247 -15.276 863 2HG2 ILE 111 2HG2 ILE 111 16.910 11.922 -15.691 864 3HG2 ILE 111 3HG2 ILE 111 18.047 10.998 -16.673 865 1HD1 ILE 111 1HD1 ILE 111 16.025 12.895 -17.684 866 2HD1 ILE 111 2HD1 ILE 111 14.833 12.427 -18.897 867 3HD1 ILE 111 3HD1 ILE 111 16.486 12.802 -19.384 Start of MODEL 9 1 1H VAL 1 1H VAL 1 24.862 0.677 0.975 2 2H VAL 1 2H VAL 1 24.513 1.246 2.537 3 3H VAL 1 3H VAL 1 23.648 1.840 1.201 4 HA VAL 1 HA VAL 1 23.507 -1.014 1.418 5 HB VAL 1 HB VAL 1 21.938 -0.926 3.378 6 1HG1 VAL 1 1HG1 VAL 1 24.650 -1.220 3.344 7 2HG1 VAL 1 2HG1 VAL 1 23.659 -1.435 4.786 8 3HG1 VAL 1 3HG1 VAL 1 24.477 0.101 4.498 9 1HG2 VAL 1 1HG2 VAL 1 23.024 1.896 3.481 10 2HG2 VAL 1 2HG2 VAL 1 22.341 1.105 4.901 11 3HG2 VAL 1 3HG2 VAL 1 21.337 1.379 3.477 12 H THR 2 H THR 2 21.877 -1.470 0.025 13 HA THR 2 HA THR 2 19.527 0.322 -0.114 14 HB THR 2 HB THR 2 20.332 -0.331 -2.809 15 HG1 THR 2 HG1 THR 2 22.161 1.234 -1.312 16 1HG2 THR 2 1HG2 THR 2 18.900 1.468 -2.674 17 2HG2 THR 2 2HG2 THR 2 20.433 2.338 -2.710 18 3HG2 THR 2 3HG2 THR 2 19.614 2.058 -1.173 19 H ALA 3 H ALA 3 19.552 -2.215 0.949 20 HA ALA 3 HA ALA 3 18.555 -4.008 -1.210 21 1HB ALA 3 1HB ALA 3 19.175 -5.788 0.102 22 2HB ALA 3 2HB ALA 3 18.737 -4.966 1.600 23 3HB ALA 3 3HB ALA 3 20.263 -4.588 0.802 24 H GLU 4 H GLU 4 16.433 -4.820 -1.142 25 HA GLU 4 HA GLU 4 14.182 -4.969 -0.462 26 1HB GLU 4 2HB GLU 4 14.900 -3.445 2.042 27 2HB GLU 4 1HB GLU 4 13.612 -4.626 1.806 28 1HG GLU 4 2HG GLU 4 15.621 -6.246 1.236 29 2HG GLU 4 1HG GLU 4 16.552 -5.082 2.180 30 H ILE 5 H ILE 5 12.326 -3.384 0.087 31 HA ILE 5 HA ILE 5 13.021 -0.573 -0.584 32 HB ILE 5 HB ILE 5 12.463 -1.715 -2.719 33 1HG1 ILE 5 2HG1 ILE 5 10.171 0.076 -1.875 34 2HG1 ILE 5 1HG1 ILE 5 11.795 0.697 -2.177 35 1HG2 ILE 5 1HG2 ILE 5 10.161 -2.608 -1.057 36 2HG2 ILE 5 2HG2 ILE 5 11.002 -3.448 -2.360 37 3HG2 ILE 5 3HG2 ILE 5 9.809 -2.204 -2.738 38 1HD1 ILE 5 1HD1 ILE 5 11.680 -0.422 -4.455 39 2HD1 ILE 5 2HD1 ILE 5 10.576 0.936 -4.233 40 3HD1 ILE 5 3HD1 ILE 5 9.971 -0.718 -4.135 41 H ARG 6 H ARG 6 11.085 0.878 -0.201 42 HA ARG 6 HA ARG 6 9.374 -0.272 1.969 43 1HB ARG 6 2HB ARG 6 10.302 2.598 1.645 44 2HB ARG 6 1HB ARG 6 9.339 1.959 2.978 45 1HG ARG 6 2HG ARG 6 11.260 1.465 4.041 46 2HG ARG 6 1HG ARG 6 11.579 0.263 2.789 47 1HD ARG 6 2HD ARG 6 13.483 1.703 2.796 48 2HD ARG 6 1HD ARG 6 12.531 2.177 1.388 49 HE ARG 6 HE ARG 6 11.772 4.145 2.647 50 1HH1 ARG 6 2HH1 ARG 6 14.704 4.490 2.709 51 2HH1 ARG 6 1HH1 ARG 6 15.031 4.717 4.395 52 1HH2 ARG 6 1HH2 ARG 6 11.974 3.451 5.432 53 2HH2 ARG 6 2HH2 ARG 6 13.487 4.129 5.936 54 H LEU 7 H LEU 7 7.280 -0.410 1.371 55 HA LEU 7 HA LEU 7 6.161 1.740 -0.359 56 1HB LEU 7 2HB LEU 7 4.773 -0.119 -1.469 57 2HB LEU 7 1HB LEU 7 6.469 -0.012 -1.936 58 HG LEU 7 HG LEU 7 6.719 -1.685 0.156 59 1HD1 LEU 7 1HD1 LEU 7 3.924 -2.087 -0.936 60 2HD1 LEU 7 2HD1 LEU 7 4.391 -1.804 0.742 61 3HD1 LEU 7 3HD1 LEU 7 4.798 -3.331 -0.041 62 1HD2 LEU 7 1HD2 LEU 7 7.058 -1.853 -2.525 63 2HD2 LEU 7 2HD2 LEU 7 5.740 -3.009 -2.317 64 3HD2 LEU 7 3HD2 LEU 7 7.257 -3.235 -1.446 65 H TYR 8 H TYR 8 3.662 1.604 -0.291 66 HA TYR 8 HA TYR 8 2.692 0.461 2.277 67 1HB TYR 8 2HB TYR 8 3.287 2.719 2.884 68 2HB TYR 8 1HB TYR 8 2.494 3.368 1.449 69 HD1 TYR 8 HD1 TYR 8 0.590 4.565 2.072 70 HD2 TYR 8 HD2 TYR 8 1.453 0.828 4.011 71 HE1 TYR 8 HE1 TYR 8 -1.547 4.722 3.322 72 HE2 TYR 8 HE2 TYR 8 -0.685 0.985 5.263 73 HH TYR 8 HH TYR 8 -2.477 3.814 5.490 74 H ILE 9 H ILE 9 0.998 -0.788 1.653 75 HA ILE 9 HA ILE 9 -0.608 0.020 -0.707 76 HB ILE 9 HB ILE 9 -0.898 -2.491 0.960 77 1HG1 ILE 9 2HG1 ILE 9 0.626 -2.392 -1.626 78 2HG1 ILE 9 1HG1 ILE 9 1.445 -1.946 -0.129 79 1HG2 ILE 9 1HG2 ILE 9 -2.531 -1.485 -0.967 80 2HG2 ILE 9 2HG2 ILE 9 -2.328 -3.210 -0.668 81 3HG2 ILE 9 3HG2 ILE 9 -1.415 -2.425 -1.957 82 1HD1 ILE 9 1HD1 ILE 9 0.919 -4.093 0.869 83 2HD1 ILE 9 2HD1 ILE 9 1.665 -4.383 -0.703 84 3HD1 ILE 9 3HD1 ILE 9 -0.082 -4.535 -0.514 85 H THR 10 H THR 10 -2.884 0.344 -0.548 86 HA THR 10 HA THR 10 -3.854 1.767 1.660 87 HB THR 10 HB THR 10 -6.042 0.292 0.522 88 HG1 THR 10 HG1 THR 10 -4.228 1.392 -1.355 89 1HG2 THR 10 1HG2 THR 10 -6.472 2.593 -0.491 90 2HG2 THR 10 2HG2 THR 10 -4.969 3.106 0.277 91 3HG2 THR 10 3HG2 THR 10 -6.318 2.542 1.265 92 H GLU 11 H GLU 11 -5.326 1.150 3.388 93 HA GLU 11 HA GLU 11 -4.794 -1.615 4.347 94 1HB GLU 11 2HB GLU 11 -5.005 0.974 5.608 95 2HB GLU 11 1HB GLU 11 -6.182 -0.134 6.316 96 1HG GLU 11 2HG GLU 11 -4.213 -1.828 6.392 97 2HG GLU 11 1HG GLU 11 -3.185 -0.410 6.181 98 H GLY 12 H GLY 12 -6.591 -2.853 5.260 99 1HA GLY 12 2HA GLY 12 -9.271 -2.288 5.374 100 2HA GLY 12 1HA GLY 12 -9.019 -2.577 3.651 101 H GLU 13 H GLU 13 -10.525 -4.438 4.099 102 HA GLU 13 HA GLU 13 -8.934 -6.862 4.580 103 1HB GLU 13 2HB GLU 13 -9.767 -6.158 6.851 104 2HB GLU 13 1HB GLU 13 -11.414 -6.339 6.245 105 1HG GLU 13 2HG GLU 13 -10.773 -8.720 5.592 106 2HG GLU 13 1HG GLU 13 -9.306 -8.487 6.543 107 H VAL 14 H VAL 14 -9.720 -6.533 2.179 108 HA VAL 14 HA VAL 14 -12.444 -7.729 1.886 109 HB VAL 14 HB VAL 14 -12.094 -6.919 -0.563 110 1HG1 VAL 14 1HG1 VAL 14 -13.303 -5.813 1.652 111 2HG1 VAL 14 2HG1 VAL 14 -13.450 -5.190 0.009 112 3HG1 VAL 14 3HG1 VAL 14 -12.255 -4.504 1.109 113 1HG2 VAL 14 1HG2 VAL 14 -10.321 -4.846 0.652 114 2HG2 VAL 14 2HG2 VAL 14 -10.395 -5.424 -1.013 115 3HG2 VAL 14 3HG2 VAL 14 -9.587 -6.391 0.221 116 H GLU 15 H GLU 15 -12.288 -8.811 -0.607 117 HA GLU 15 HA GLU 15 -10.456 -11.084 -0.157 118 1HB GLU 15 2HB GLU 15 -12.999 -11.058 -1.008 119 2HB GLU 15 1HB GLU 15 -12.198 -10.929 -2.574 120 1HG GLU 15 2HG GLU 15 -10.936 -12.950 -2.173 121 2HG GLU 15 1HG GLU 15 -11.509 -13.033 -0.507 122 H ASP 16 H ASP 16 -10.709 -8.250 -2.148 123 HA ASP 16 HA ASP 16 -8.992 -9.155 -4.291 124 1HB ASP 16 2HB ASP 16 -9.958 -6.476 -3.325 125 2HB ASP 16 1HB ASP 16 -8.684 -6.563 -4.540 126 H TYR 17 H TYR 17 -8.381 -7.043 -1.460 127 HA TYR 17 HA TYR 17 -5.549 -6.882 -1.902 128 1HB TYR 17 2HB TYR 17 -6.805 -5.300 -0.455 129 2HB TYR 17 1HB TYR 17 -7.083 -6.603 0.701 130 HD1 TYR 17 HD1 TYR 17 -5.817 -5.928 2.592 131 HD2 TYR 17 HD2 TYR 17 -4.014 -5.923 -1.309 132 HE1 TYR 17 HE1 TYR 17 -3.600 -5.493 3.617 133 HE2 TYR 17 HE2 TYR 17 -1.797 -5.488 -0.283 134 HH TYR 17 HH TYR 17 -1.257 -4.282 2.486 135 H ARG 18 H ARG 18 -7.568 -9.361 -0.598 136 HA ARG 18 HA ARG 18 -5.524 -10.643 1.022 137 1HB ARG 18 2HB ARG 18 -8.048 -10.938 1.263 138 2HB ARG 18 1HB ARG 18 -7.971 -11.964 -0.169 139 1HG ARG 18 2HG ARG 18 -7.442 -13.676 1.198 140 2HG ARG 18 1HG ARG 18 -5.893 -12.878 1.475 141 1HD ARG 18 2HD ARG 18 -6.688 -11.776 3.428 142 2HD ARG 18 1HD ARG 18 -8.370 -12.147 3.044 143 HE ARG 18 HE ARG 18 -6.661 -13.834 4.557 144 1HH1 ARG 18 2HH1 ARG 18 -9.635 -13.784 3.124 145 2HH1 ARG 18 1HH1 ARG 18 -9.741 -15.485 2.814 146 1HH2 ARG 18 1HH2 ARG 18 -6.426 -16.106 3.620 147 2HH2 ARG 18 2HH2 ARG 18 -7.923 -16.800 3.095 148 H VAL 19 H VAL 19 -6.992 -11.486 -2.143 149 HA VAL 19 HA VAL 19 -5.149 -13.605 -2.699 150 HB VAL 19 HB VAL 19 -6.496 -11.886 -4.791 151 1HG1 VAL 19 1HG1 VAL 19 -5.204 -13.446 -5.921 152 2HG1 VAL 19 2HG1 VAL 19 -6.690 -14.371 -5.709 153 3HG1 VAL 19 3HG1 VAL 19 -5.323 -14.637 -4.627 154 1HG2 VAL 19 1HG2 VAL 19 -7.740 -13.281 -2.641 155 2HG2 VAL 19 2HG2 VAL 19 -8.019 -14.222 -4.106 156 3HG2 VAL 19 3HG2 VAL 19 -8.517 -12.531 -4.035 157 H PHE 20 H PHE 20 -5.048 -10.126 -3.359 158 HA PHE 20 HA PHE 20 -2.740 -10.192 -5.064 159 1HB PHE 20 2HB PHE 20 -4.247 -8.225 -4.873 160 2HB PHE 20 1HB PHE 20 -3.671 -7.964 -3.226 161 HD1 PHE 20 HD1 PHE 20 -1.981 -8.840 -6.464 162 HD2 PHE 20 HD2 PHE 20 -2.215 -6.147 -3.123 163 HE1 PHE 20 HE1 PHE 20 -0.032 -7.580 -7.344 164 HE2 PHE 20 HE2 PHE 20 -0.266 -4.886 -4.002 165 HZ PHE 20 HZ PHE 20 0.825 -5.604 -6.113 166 H LEU 21 H LEU 21 -2.938 -9.181 -1.625 167 HA LEU 21 HA LEU 21 -0.163 -9.092 -1.148 168 1HB LEU 21 2HB LEU 21 -2.391 -8.676 0.381 169 2HB LEU 21 1HB LEU 21 -1.780 -10.179 1.076 170 HG LEU 21 HG LEU 21 -0.821 -8.168 2.190 171 1HD1 LEU 21 1HD1 LEU 21 0.425 -10.425 1.739 172 2HD1 LEU 21 2HD1 LEU 21 1.351 -9.042 2.322 173 3HD1 LEU 21 3HD1 LEU 21 1.386 -9.470 0.611 174 1HD2 LEU 21 1HD2 LEU 21 -0.215 -6.408 0.921 175 2HD2 LEU 21 2HD2 LEU 21 -0.526 -7.338 -0.545 176 3HD2 LEU 21 3HD2 LEU 21 1.068 -7.386 0.208 177 H GLU 22 H GLU 22 -2.305 -11.843 -1.414 178 HA GLU 22 HA GLU 22 -0.489 -13.745 -0.186 179 1HB GLU 22 2HB GLU 22 -3.118 -13.783 -1.423 180 2HB GLU 22 1HB GLU 22 -2.139 -15.144 -1.972 181 1HG GLU 22 2HG GLU 22 -2.045 -16.093 0.113 182 2HG GLU 22 1HG GLU 22 -2.035 -14.533 0.936 183 H ARG 23 H ARG 23 -1.088 -12.611 -3.486 184 HA ARG 23 HA ARG 23 0.713 -14.558 -4.691 185 1HB ARG 23 2HB ARG 23 -1.151 -12.586 -5.600 186 2HB ARG 23 1HB ARG 23 0.407 -12.268 -6.366 187 1HG ARG 23 2HG ARG 23 0.273 -14.988 -6.570 188 2HG ARG 23 1HG ARG 23 -1.430 -14.555 -6.715 189 1HD ARG 23 2HD ARG 23 -1.059 -13.963 -8.852 190 2HD ARG 23 1HD ARG 23 0.006 -12.681 -8.277 191 HE ARG 23 HE ARG 23 1.876 -14.044 -8.813 192 1HH1 ARG 23 2HH1 ARG 23 -0.712 -16.128 -8.152 193 2HH1 ARG 23 1HH1 ARG 23 -0.218 -17.359 -9.266 194 1HH2 ARG 23 1HH2 ARG 23 2.361 -15.473 -10.616 195 2HH2 ARG 23 2HH2 ARG 23 1.523 -16.989 -10.661 196 H LEU 24 H LEU 24 1.055 -11.459 -3.173 197 HA LEU 24 HA LEU 24 3.530 -10.675 -4.427 198 1HB LEU 24 2HB LEU 24 1.766 -9.540 -2.589 199 2HB LEU 24 1HB LEU 24 3.243 -9.794 -1.658 200 HG LEU 24 HG LEU 24 4.274 -8.817 -3.985 201 1HD1 LEU 24 1HD1 LEU 24 2.262 -8.268 -5.092 202 2HD1 LEU 24 2HD1 LEU 24 2.769 -6.740 -4.373 203 3HD1 LEU 24 3HD1 LEU 24 1.499 -7.696 -3.609 204 1HD2 LEU 24 1HD2 LEU 24 3.662 -6.539 -2.439 205 2HD2 LEU 24 2HD2 LEU 24 5.122 -7.524 -2.340 206 3HD2 LEU 24 3HD2 LEU 24 3.747 -7.878 -1.294 207 H GLU 25 H GLU 25 2.773 -12.445 -1.423 208 HA GLU 25 HA GLU 25 5.536 -12.781 -0.658 209 1HB GLU 25 2HB GLU 25 3.684 -13.000 0.961 210 2HB GLU 25 1HB GLU 25 3.100 -14.425 0.101 211 1HG GLU 25 2HG GLU 25 4.616 -15.754 1.111 212 2HG GLU 25 1HG GLU 25 5.934 -14.649 0.719 213 H GLN 26 H GLN 26 3.594 -14.232 -3.065 214 HA GLN 26 HA GLN 26 4.784 -16.854 -3.123 215 1HB GLN 26 2HB GLN 26 2.770 -15.526 -4.532 216 2HB GLN 26 1HB GLN 26 4.013 -15.830 -5.746 217 1HG GLN 26 2HG GLN 26 3.345 -17.976 -5.853 218 2HG GLN 26 1HG GLN 26 3.816 -18.182 -4.166 219 1HE2 GLN 26 1HE2 GLN 26 1.072 -16.773 -6.056 220 2HE2 GLN 26 2HE2 GLN 26 -0.128 -17.310 -4.983 221 H SER 27 H SER 27 5.450 -13.902 -5.038 222 HA SER 27 HA SER 27 7.703 -14.983 -6.427 223 1HB SER 27 2HB SER 27 8.310 -12.544 -6.760 224 2HB SER 27 1HB SER 27 6.678 -12.974 -7.265 225 HG SER 27 HG SER 27 6.073 -11.476 -5.929 226 H GLY 28 H GLY 28 7.510 -12.987 -3.469 227 1HA GLY 28 2HA GLY 28 9.022 -13.629 -1.591 228 2HA GLY 28 1HA GLY 28 10.263 -13.950 -2.805 229 H LEU 29 H LEU 29 11.666 -12.310 -3.241 230 HA LEU 29 HA LEU 29 12.648 -10.181 -3.136 231 1HB LEU 29 2HB LEU 29 10.063 -9.907 -4.270 232 2HB LEU 29 1HB LEU 29 10.263 -8.565 -3.142 233 HG LEU 29 HG LEU 29 12.728 -8.695 -4.409 234 1HD1 LEU 29 1HD1 LEU 29 10.650 -8.849 -6.587 235 2HD1 LEU 29 2HD1 LEU 29 11.458 -10.306 -6.010 236 3HD1 LEU 29 3HD1 LEU 29 12.402 -8.998 -6.722 237 1HD2 LEU 29 1HD2 LEU 29 10.962 -6.888 -5.800 238 2HD2 LEU 29 2HD2 LEU 29 12.199 -6.513 -4.601 239 3HD2 LEU 29 3HD2 LEU 29 10.557 -6.900 -4.084 240 H GLU 30 H GLU 30 12.612 -8.081 -1.795 241 HA GLU 30 HA GLU 30 11.482 -8.676 0.913 242 1HB GLU 30 2HB GLU 30 14.169 -7.650 0.057 243 2HB GLU 30 1HB GLU 30 13.510 -7.127 1.607 244 1HG GLU 30 2HG GLU 30 13.007 -9.778 1.779 245 2HG GLU 30 1HG GLU 30 14.448 -9.816 0.763 246 H TRP 31 H TRP 31 10.159 -7.111 1.726 247 HA TRP 31 HA TRP 31 10.508 -4.298 1.005 248 1HB TRP 31 2HB TRP 31 8.105 -4.148 0.146 249 2HB TRP 31 1HB TRP 31 9.267 -4.902 -0.948 250 HD1 TRP 31 HD1 TRP 31 8.790 -7.299 -1.707 251 HE1 TRP 31 HE1 TRP 31 7.034 -9.089 -1.103 252 HE3 TRP 31 HE3 TRP 31 6.579 -5.044 2.309 253 HZ2 TRP 31 HZ2 TRP 31 4.965 -9.507 0.829 254 HZ3 TRP 31 HZ3 TRP 31 4.720 -6.158 3.512 255 HH2 TRP 31 HH2 TRP 31 3.911 -8.386 2.777 256 H ARG 32 H ARG 32 9.349 -2.927 2.441 257 HA ARG 32 HA ARG 32 7.734 -4.318 4.532 258 1HB ARG 32 2HB ARG 32 9.928 -2.272 4.987 259 2HB ARG 32 1HB ARG 32 8.824 -2.849 6.237 260 1HG ARG 32 2HG ARG 32 9.604 -5.207 5.661 261 2HG ARG 32 1HG ARG 32 10.879 -4.454 4.702 262 1HD ARG 32 2HD ARG 32 10.453 -3.614 7.558 263 2HD ARG 32 1HD ARG 32 11.375 -5.071 7.195 264 HE ARG 32 HE ARG 32 12.324 -2.862 5.608 265 1HH1 ARG 32 1HH2 ARG 32 13.870 -4.980 7.249 266 2HH1 ARG 32 2HH2 ARG 32 14.692 -3.957 8.379 267 1HH2 ARG 32 2HH1 ARG 32 12.707 -1.190 7.724 268 2HH2 ARG 32 1HH1 ARG 32 14.034 -1.812 8.647 269 HA PRO 33 HA PRO 33 4.957 -0.966 3.969 270 1HB PRO 33 2HB PRO 33 3.757 -0.965 6.444 271 2HB PRO 33 1HB PRO 33 3.437 -2.186 5.201 272 1HG PRO 33 2HG PRO 33 5.049 -2.427 7.699 273 2HG PRO 33 1HG PRO 33 4.190 -3.685 6.793 274 1HD PRO 33 2HD PRO 33 6.977 -3.209 6.723 275 2HD PRO 33 1HD PRO 33 6.062 -4.218 5.582 276 H ALA 34 H ALA 34 5.275 1.236 4.068 277 HA ALA 34 HA ALA 34 6.713 2.316 6.462 278 1HB ALA 34 1HB ALA 34 7.082 4.103 4.311 279 2HB ALA 34 2HB ALA 34 7.357 2.492 3.647 280 3HB ALA 34 3HB ALA 34 8.295 3.046 5.035 281 H THR 35 H THR 35 6.016 4.379 7.212 282 HA THR 35 HA THR 35 3.288 4.923 7.255 283 HB THR 35 HB THR 35 4.666 7.445 7.265 284 HG1 THR 35 HG1 THR 35 6.052 6.502 9.133 285 1HG2 THR 35 1HG2 THR 35 2.942 5.843 8.902 286 2HG2 THR 35 2HG2 THR 35 3.255 7.575 9.005 287 3HG2 THR 35 3HG2 THR 35 4.271 6.442 9.895 288 HA PRO 36 HA PRO 36 2.266 6.657 3.355 289 1HB PRO 36 2HB PRO 36 0.248 8.365 4.110 290 2HB PRO 36 1HB PRO 36 0.065 6.604 4.042 291 1HG PRO 36 2HG PRO 36 0.349 8.370 6.428 292 2HG PRO 36 1HG PRO 36 -0.440 6.789 6.290 293 1HD PRO 36 2HD PRO 36 2.123 7.269 7.391 294 2HD PRO 36 1HD PRO 36 1.463 5.683 6.935 295 H GLU 37 H GLU 37 3.847 8.424 5.691 296 HA GLU 37 HA GLU 37 3.755 10.971 4.145 297 1HB GLU 37 2HB GLU 37 3.816 10.404 6.913 298 2HB GLU 37 1HB GLU 37 5.393 11.088 6.521 299 1HG GLU 37 2HG GLU 37 3.152 12.481 5.223 300 2HG GLU 37 1HG GLU 37 3.113 12.562 6.986 301 H ASP 38 H ASP 38 5.842 8.314 5.057 302 HA ASP 38 HA ASP 38 7.990 9.536 3.377 303 1HB ASP 38 2HB ASP 38 8.110 8.549 6.161 304 2HB ASP 38 1HB ASP 38 9.396 7.954 5.110 305 H ALA 39 H ALA 39 5.932 7.652 2.589 306 HA ALA 39 HA ALA 39 7.192 5.004 2.520 307 1HB ALA 39 1HB ALA 39 5.229 4.507 0.965 308 2HB ALA 39 2HB ALA 39 4.687 6.156 1.275 309 3HB ALA 39 3HB ALA 39 4.801 5.002 2.603 310 H ASP 40 H ASP 40 8.831 4.610 1.119 311 HA ASP 40 HA ASP 40 9.653 6.300 -0.986 312 1HB ASP 40 2HB ASP 40 10.536 3.895 0.121 313 2HB ASP 40 1HB ASP 40 10.186 3.490 -1.561 314 H ALA 41 H ALA 41 7.349 3.608 -1.003 315 HA ALA 41 HA ALA 41 6.487 4.514 -3.710 316 1HB ALA 41 1HB ALA 41 6.634 1.593 -2.944 317 2HB ALA 41 2HB ALA 41 7.958 2.416 -3.771 318 3HB ALA 41 3HB ALA 41 6.380 2.285 -4.546 319 H VAL 42 H VAL 42 4.263 4.533 -3.972 320 HA VAL 42 HA VAL 42 2.663 3.569 -1.634 321 HB VAL 42 HB VAL 42 1.916 5.739 -3.616 322 1HG1 VAL 42 1HG1 VAL 42 0.256 6.291 -1.812 323 2HG1 VAL 42 2HG1 VAL 42 0.757 4.827 -0.966 324 3HG1 VAL 42 3HG1 VAL 42 -0.010 4.711 -2.550 325 1HG2 VAL 42 1HG2 VAL 42 2.934 6.041 -0.774 326 2HG2 VAL 42 2HG2 VAL 42 2.545 7.340 -1.903 327 3HG2 VAL 42 3HG2 VAL 42 3.931 6.292 -2.207 328 H ILE 43 H ILE 43 0.700 2.448 -2.097 329 HA ILE 43 HA ILE 43 0.242 1.742 -4.956 330 HB ILE 43 HB ILE 43 0.060 -0.355 -2.801 331 1HG1 ILE 43 2HG1 ILE 43 2.511 0.473 -4.383 332 2HG1 ILE 43 1HG1 ILE 43 2.339 0.445 -2.628 333 1HG2 ILE 43 1HG2 ILE 43 0.729 -0.597 -5.742 334 2HG2 ILE 43 2HG2 ILE 43 -0.929 -0.610 -5.142 335 3HG2 ILE 43 3HG2 ILE 43 0.199 -1.872 -4.645 336 1HD1 ILE 43 1HD1 ILE 43 1.705 -2.113 -3.134 337 2HD1 ILE 43 2HD1 ILE 43 3.374 -1.593 -2.898 338 3HD1 ILE 43 3HD1 ILE 43 2.741 -1.814 -4.531 339 H VAL 44 H VAL 44 -1.895 1.880 -5.468 340 HA VAL 44 HA VAL 44 -3.850 1.900 -3.202 341 HB VAL 44 HB VAL 44 -4.487 3.241 -5.798 342 1HG1 VAL 44 1HG1 VAL 44 -4.996 4.021 -2.913 343 2HG1 VAL 44 2HG1 VAL 44 -6.092 3.024 -3.871 344 3HG1 VAL 44 3HG1 VAL 44 -5.774 4.693 -4.347 345 1HG2 VAL 44 1HG2 VAL 44 -2.378 4.090 -3.856 346 2HG2 VAL 44 2HG2 VAL 44 -3.443 5.337 -4.503 347 3HG2 VAL 44 3HG2 VAL 44 -2.469 4.354 -5.596 348 H LEU 45 H LEU 45 -5.433 0.372 -3.329 349 HA LEU 45 HA LEU 45 -5.518 -1.329 -5.752 350 1HB LEU 45 2HB LEU 45 -6.318 -1.613 -2.901 351 2HB LEU 45 1HB LEU 45 -7.306 -2.476 -4.081 352 HG LEU 45 HG LEU 45 -5.393 -3.845 -3.242 353 1HD1 LEU 45 1HD1 LEU 45 -4.379 -3.879 -5.820 354 2HD1 LEU 45 2HD1 LEU 45 -5.987 -3.188 -6.038 355 3HD1 LEU 45 3HD1 LEU 45 -5.800 -4.766 -5.271 356 1HD2 LEU 45 1HD2 LEU 45 -3.686 -1.831 -4.737 357 2HD2 LEU 45 2HD2 LEU 45 -3.123 -3.231 -3.822 358 3HD2 LEU 45 3HD2 LEU 45 -3.850 -1.862 -2.981 359 H ALA 46 H ALA 46 -7.134 -1.128 -7.245 360 HA ALA 46 HA ALA 46 -9.275 0.833 -6.722 361 1HB ALA 46 1HB ALA 46 -7.940 -0.225 -9.052 362 2HB ALA 46 2HB ALA 46 -8.999 1.179 -8.929 363 3HB ALA 46 3HB ALA 46 -9.684 -0.419 -9.226 364 H GLY 47 H GLY 47 -8.884 -2.381 -6.054 365 1HA GLY 47 2HA GLY 47 -11.386 -3.498 -6.936 366 2HA GLY 47 1HA GLY 47 -10.387 -4.138 -5.630 367 H LEU 48 H LEU 48 -10.634 -1.181 -4.560 368 HA LEU 48 HA LEU 48 -13.369 -1.495 -3.398 369 1HB LEU 48 2HB LEU 48 -12.361 -0.611 -1.239 370 2HB LEU 48 1HB LEU 48 -11.865 -2.247 -1.677 371 HG LEU 48 HG LEU 48 -10.165 -0.122 -2.810 372 1HD1 LEU 48 1HD1 LEU 48 -9.347 -0.566 -0.067 373 2HD1 LEU 48 2HD1 LEU 48 -10.952 0.164 -0.120 374 3HD1 LEU 48 3HD1 LEU 48 -9.594 0.959 -0.918 375 1HD2 LEU 48 1HD2 LEU 48 -8.654 -1.815 -2.764 376 2HD2 LEU 48 2HD2 LEU 48 -10.023 -2.848 -2.357 377 3HD2 LEU 48 3HD2 LEU 48 -9.004 -2.190 -1.077 378 H TRP 49 H TRP 49 -12.864 0.155 -5.566 379 HA TRP 49 HA TRP 49 -12.220 2.860 -4.692 380 1HB TRP 49 2HB TRP 49 -11.832 2.044 -7.022 381 2HB TRP 49 1HB TRP 49 -13.578 1.940 -7.242 382 HD1 TRP 49 HD1 TRP 49 -14.963 4.225 -7.271 383 HE1 TRP 49 HE1 TRP 49 -14.245 6.647 -7.787 384 HE3 TRP 49 HE3 TRP 49 -9.896 3.751 -6.838 385 HZ2 TRP 49 HZ2 TRP 49 -11.835 8.180 -7.990 386 HZ3 TRP 49 HZ3 TRP 49 -8.413 5.705 -7.196 387 HH2 TRP 49 HH2 TRP 49 -9.377 7.917 -7.772 388 H GLY 50 H GLY 50 -15.042 0.892 -4.657 389 1HA GLY 50 2HA GLY 50 -16.762 3.314 -4.329 390 2HA GLY 50 1HA GLY 50 -17.364 1.720 -4.786 391 H THR 51 H THR 51 -14.941 1.798 -2.323 392 HA THR 51 HA THR 51 -17.051 1.573 -0.221 393 HB THR 51 HB THR 51 -15.687 -0.288 0.789 394 HG1 THR 51 HG1 THR 51 -14.477 -0.381 -1.762 395 1HG2 THR 51 1HG2 THR 51 -17.666 -0.428 -1.017 396 2HG2 THR 51 2HG2 THR 51 -16.869 -1.868 -0.384 397 3HG2 THR 51 3HG2 THR 51 -16.392 -1.213 -1.951 398 H ARG 52 H ARG 52 -13.472 1.493 -0.476 399 HA ARG 52 HA ARG 52 -13.364 3.325 1.865 400 1HB ARG 52 2HB ARG 52 -11.899 1.067 1.243 401 2HB ARG 52 1HB ARG 52 -10.815 2.371 0.758 402 1HG ARG 52 2HG ARG 52 -10.448 3.019 2.898 403 2HG ARG 52 1HG ARG 52 -12.150 2.851 3.332 404 1HD ARG 52 2HD ARG 52 -10.887 0.270 2.800 405 2HD ARG 52 1HD ARG 52 -10.097 1.143 4.113 406 HE ARG 52 HE ARG 52 -13.035 0.564 4.092 407 1HH1 ARG 52 2HH1 ARG 52 -10.486 1.953 5.798 408 2HH1 ARG 52 1HH1 ARG 52 -10.847 1.180 7.306 409 1HH2 ARG 52 1HH2 ARG 52 -13.296 -0.877 5.968 410 2HH2 ARG 52 2HH2 ARG 52 -12.437 -0.421 7.402 411 H ARG 53 H ARG 53 -14.172 4.344 -0.724 412 HA ARG 53 HA ARG 53 -12.057 5.566 -2.176 413 1HB ARG 53 2HB ARG 53 -14.245 5.585 -3.140 414 2HB ARG 53 1HB ARG 53 -14.935 6.381 -1.725 415 1HG ARG 53 2HG ARG 53 -13.657 8.410 -2.198 416 2HG ARG 53 1HG ARG 53 -12.864 7.620 -3.562 417 1HD ARG 53 2HD ARG 53 -14.694 7.819 -4.914 418 2HD ARG 53 1HD ARG 53 -15.827 7.547 -3.589 419 HE ARG 53 HE ARG 53 -15.252 9.962 -2.906 420 1HH1 ARG 53 1HH2 ARG 53 -13.317 10.081 -5.336 421 2HH1 ARG 53 2HH2 ARG 53 -14.264 11.033 -6.430 422 1HH2 ARG 53 2HH1 ARG 53 -17.212 10.624 -4.651 423 2HH2 ARG 53 1HH1 ARG 53 -16.470 11.340 -6.042 424 H ASP 54 H ASP 54 -13.839 6.674 0.698 425 HA ASP 54 HA ASP 54 -12.821 9.294 0.877 426 1HB ASP 54 2HB ASP 54 -14.379 7.675 2.484 427 2HB ASP 54 1HB ASP 54 -12.928 7.902 3.460 428 H GLU 55 H GLU 55 -11.349 6.231 1.907 429 HA GLU 55 HA GLU 55 -9.037 7.496 3.116 430 1HB GLU 55 2HB GLU 55 -10.056 5.022 3.310 431 2HB GLU 55 1HB GLU 55 -8.854 4.715 2.058 432 1HG GLU 55 2HG GLU 55 -7.085 5.610 3.472 433 2HG GLU 55 1HG GLU 55 -8.261 6.068 4.704 434 H ILE 56 H ILE 56 -9.623 5.916 -0.034 435 HA ILE 56 HA ILE 56 -6.981 6.203 -1.048 436 HB ILE 56 HB ILE 56 -9.676 6.081 -2.416 437 1HG1 ILE 56 2HG1 ILE 56 -7.607 4.010 -2.816 438 2HG1 ILE 56 1HG1 ILE 56 -8.192 4.150 -1.157 439 1HG2 ILE 56 1HG2 ILE 56 -8.166 7.332 -3.880 440 2HG2 ILE 56 2HG2 ILE 56 -8.393 5.704 -4.519 441 3HG2 ILE 56 3HG2 ILE 56 -6.909 6.114 -3.659 442 1HD1 ILE 56 1HD1 ILE 56 -10.562 4.178 -2.249 443 2HD1 ILE 56 2HD1 ILE 56 -9.714 2.638 -2.109 444 3HD1 ILE 56 3HD1 ILE 56 -9.742 3.493 -3.652 445 H LEU 57 H LEU 57 -9.540 8.533 -0.633 446 HA LEU 57 HA LEU 57 -8.540 10.481 -2.521 447 1HB LEU 57 2HB LEU 57 -10.495 10.491 -0.253 448 2HB LEU 57 1HB LEU 57 -9.890 12.042 -0.842 449 HG LEU 57 HG LEU 57 -11.025 9.921 -2.678 450 1HD1 LEU 57 1HD1 LEU 57 -13.148 10.724 -2.380 451 2HD1 LEU 57 2HD1 LEU 57 -12.591 12.367 -2.061 452 3HD1 LEU 57 3HD1 LEU 57 -12.527 11.150 -0.786 453 1HD2 LEU 57 1HD2 LEU 57 -10.907 12.884 -3.173 454 2HD2 LEU 57 2HD2 LEU 57 -10.920 11.563 -4.341 455 3HD2 LEU 57 3HD2 LEU 57 -9.460 11.903 -3.411 456 H GLY 58 H GLY 58 -8.346 10.342 1.059 457 1HA GLY 58 2HA GLY 58 -6.543 12.525 1.336 458 2HA GLY 58 1HA GLY 58 -6.729 11.225 2.513 459 H ALA 59 H ALA 59 -6.011 9.177 0.452 460 HA ALA 59 HA ALA 59 -3.167 9.146 0.940 461 1HB ALA 59 1HB ALA 59 -3.234 7.017 0.092 462 2HB ALA 59 2HB ALA 59 -4.268 7.477 -1.260 463 3HB ALA 59 3HB ALA 59 -4.968 7.221 0.338 464 H VAL 60 H VAL 60 -5.061 9.550 -2.075 465 HA VAL 60 HA VAL 60 -2.878 10.068 -3.796 466 HB VAL 60 HB VAL 60 -5.649 11.300 -3.913 467 1HG1 VAL 60 1HG1 VAL 60 -4.864 12.332 -5.754 468 2HG1 VAL 60 2HG1 VAL 60 -4.593 10.746 -6.475 469 3HG1 VAL 60 3HG1 VAL 60 -3.299 11.539 -5.577 470 1HG2 VAL 60 1HG2 VAL 60 -6.296 9.139 -4.149 471 2HG2 VAL 60 2HG2 VAL 60 -4.635 8.577 -4.334 472 3HG2 VAL 60 3HG2 VAL 60 -5.513 9.210 -5.727 473 H ASP 61 H ASP 61 -4.659 12.252 -1.639 474 HA ASP 61 HA ASP 61 -3.386 14.666 -2.547 475 1HB ASP 61 2HB ASP 61 -4.933 13.850 -0.113 476 2HB ASP 61 1HB ASP 61 -4.028 15.363 -0.071 477 H LEU 62 H LEU 62 -2.597 12.304 -0.017 478 HA LEU 62 HA LEU 62 -0.407 13.755 1.118 479 1HB LEU 62 2HB LEU 62 -1.303 10.902 1.104 480 2HB LEU 62 1HB LEU 62 0.346 11.248 1.625 481 HG LEU 62 HG LEU 62 -2.115 12.621 2.742 482 1HD1 LEU 62 1HD1 LEU 62 -2.115 10.249 3.355 483 2HD1 LEU 62 2HD1 LEU 62 -1.679 11.225 4.757 484 3HD1 LEU 62 3HD1 LEU 62 -0.430 10.360 3.863 485 1HD2 LEU 62 1HD2 LEU 62 -0.525 14.083 3.437 486 2HD2 LEU 62 2HD2 LEU 62 0.788 12.990 2.996 487 3HD2 LEU 62 3HD2 LEU 62 -0.026 12.811 4.551 488 H ALA 63 H ALA 63 -0.685 11.678 -1.709 489 HA ALA 63 HA ALA 63 2.177 11.426 -2.128 490 1HB ALA 63 1HB ALA 63 1.570 10.024 -3.801 491 2HB ALA 63 2HB ALA 63 0.496 11.222 -4.523 492 3HB ALA 63 3HB ALA 63 -0.074 10.215 -3.193 493 H ARG 64 H ARG 64 -0.380 13.512 -3.477 494 HA ARG 64 HA ARG 64 1.398 14.958 -5.230 495 1HB ARG 64 2HB ARG 64 -1.279 15.760 -4.048 496 2HB ARG 64 1HB ARG 64 -0.461 16.600 -5.366 497 1HG ARG 64 2HG ARG 64 -0.485 14.446 -6.663 498 2HG ARG 64 1HG ARG 64 -1.477 13.745 -5.384 499 1HD ARG 64 2HD ARG 64 -3.061 14.494 -6.963 500 2HD ARG 64 1HD ARG 64 -3.035 15.782 -5.759 501 HE ARG 64 HE ARG 64 -1.342 16.894 -7.396 502 1HH1 ARG 64 1HH2 ARG 64 -2.841 14.259 -8.809 503 2HH1 ARG 64 2HH2 ARG 64 -3.492 15.123 -10.161 504 1HH2 ARG 64 2HH1 ARG 64 -2.629 18.244 -8.920 505 2HH2 ARG 64 1HH1 ARG 64 -3.373 17.379 -10.224 506 H LYS 65 H LYS 65 1.096 14.919 -1.870 507 HA LYS 65 HA LYS 65 1.479 17.660 -1.189 508 1HB LYS 65 2HB LYS 65 1.488 15.145 0.162 509 2HB LYS 65 1HB LYS 65 2.963 16.001 0.611 510 1HG LYS 65 2HG LYS 65 1.691 17.950 1.298 511 2HG LYS 65 1HG LYS 65 0.195 17.234 0.696 512 1HD LYS 65 2HD LYS 65 -0.114 16.178 2.657 513 2HD LYS 65 1HD LYS 65 1.444 15.371 2.484 514 1HE LYS 65 2HE LYS 65 1.319 18.234 3.402 515 2HE LYS 65 1HE LYS 65 1.058 16.921 4.552 516 1HZ LYS 65 1HZ LYS 65 3.184 16.131 4.269 517 2HZ LYS 65 2HZ LYS 65 3.434 17.807 4.150 518 3HZ LYS 65 3HZ LYS 65 3.380 16.851 2.747 519 H SER 66 H SER 66 3.552 15.437 -2.769 520 HA SER 66 HA SER 66 5.698 17.457 -2.793 521 1HB SER 66 2HB SER 66 6.012 14.708 -1.582 522 2HB SER 66 1HB SER 66 7.389 15.608 -2.211 523 HG SER 66 HG SER 66 7.173 17.060 -0.644 524 H SER 67 H SER 67 5.711 13.962 -3.507 525 HA SER 67 HA SER 67 5.136 14.019 -6.242 526 1HB SER 67 2HB SER 67 7.681 15.272 -5.634 527 2HB SER 67 1HB SER 67 7.910 13.860 -6.663 528 HG SER 67 HG SER 67 6.426 14.731 -8.109 529 H LYS 68 H LYS 68 4.711 12.129 -4.370 530 HA LYS 68 HA LYS 68 6.824 10.082 -4.485 531 1HB LYS 68 2HB LYS 68 4.161 10.340 -3.117 532 2HB LYS 68 1HB LYS 68 4.896 8.745 -3.290 533 1HG LYS 68 2HG LYS 68 6.341 9.171 -1.620 534 2HG LYS 68 1HG LYS 68 6.880 10.652 -2.413 535 1HD LYS 68 2HD LYS 68 5.906 11.739 -0.682 536 2HD LYS 68 1HD LYS 68 4.376 11.347 -1.467 537 1HE LYS 68 2HE LYS 68 4.263 10.608 0.844 538 2HE LYS 68 1HE LYS 68 4.345 9.185 -0.195 539 1HZ LYS 68 1HZ LYS 68 6.958 9.934 0.350 540 2HZ LYS 68 2HZ LYS 68 6.133 8.564 0.924 541 3HZ LYS 68 3HZ LYS 68 6.132 10.001 1.830 542 HA PRO 69 HA PRO 69 5.159 7.936 -7.934 543 1HB PRO 69 2HB PRO 69 6.068 5.408 -7.348 544 2HB PRO 69 1HB PRO 69 7.113 6.710 -7.941 545 1HG PRO 69 2HG PRO 69 6.896 5.585 -5.188 546 2HG PRO 69 1HG PRO 69 8.269 6.391 -5.967 547 1HD PRO 69 2HD PRO 69 6.494 7.565 -4.095 548 2HD PRO 69 1HD PRO 69 7.665 8.431 -5.114 549 H ILE 70 H ILE 70 2.957 7.593 -8.036 550 HA ILE 70 HA ILE 70 1.698 5.839 -5.979 551 HB ILE 70 HB ILE 70 0.234 7.513 -8.023 552 1HG1 ILE 70 2HG1 ILE 70 0.343 8.782 -5.449 553 2HG1 ILE 70 1HG1 ILE 70 1.991 8.484 -6.001 554 1HG2 ILE 70 1HG2 ILE 70 -1.225 7.544 -5.743 555 2HG2 ILE 70 2HG2 ILE 70 -0.397 5.999 -5.546 556 3HG2 ILE 70 3HG2 ILE 70 -1.393 6.291 -6.972 557 1HD1 ILE 70 1HD1 ILE 70 1.807 9.929 -7.764 558 2HD1 ILE 70 2HD1 ILE 70 0.547 10.648 -6.761 559 3HD1 ILE 70 3HD1 ILE 70 0.114 9.524 -8.049 560 H ILE 71 H ILE 71 1.423 3.755 -6.602 561 HA ILE 71 HA ILE 71 1.054 3.200 -9.517 562 HB ILE 71 HB ILE 71 2.032 1.366 -7.305 563 1HG1 ILE 71 2HG1 ILE 71 3.711 2.133 -9.646 564 2HG1 ILE 71 1HG1 ILE 71 3.457 3.369 -8.412 565 1HG2 ILE 71 1HG2 ILE 71 2.473 0.630 -10.117 566 2HG2 ILE 71 2HG2 ILE 71 0.771 0.664 -9.655 567 3HG2 ILE 71 3HG2 ILE 71 1.904 -0.359 -8.772 568 1HD1 ILE 71 1HD1 ILE 71 4.437 0.555 -7.851 569 2HD1 ILE 71 2HD1 ILE 71 4.280 1.862 -6.677 570 3HD1 ILE 71 3HD1 ILE 71 5.479 1.973 -7.967 571 H THR 72 H THR 72 -1.059 2.837 -9.994 572 HA THR 72 HA THR 72 -2.914 1.921 -7.900 573 HB THR 72 HB THR 72 -3.474 3.675 -9.676 574 HG1 THR 72 HG1 THR 72 -5.090 2.663 -8.486 575 1HG2 THR 72 1HG2 THR 72 -3.594 1.171 -11.380 576 2HG2 THR 72 2HG2 THR 72 -2.504 2.538 -11.606 577 3HG2 THR 72 3HG2 THR 72 -4.237 2.743 -11.855 578 H VAL 73 H VAL 73 -4.202 -0.039 -8.147 579 HA VAL 73 HA VAL 73 -2.915 -2.064 -9.935 580 HB VAL 73 HB VAL 73 -4.049 -2.532 -7.161 581 1HG1 VAL 73 1HG1 VAL 73 -2.931 -4.767 -7.474 582 2HG1 VAL 73 2HG1 VAL 73 -2.639 -4.327 -9.158 583 3HG1 VAL 73 3HG1 VAL 73 -4.290 -4.495 -8.565 584 1HG2 VAL 73 1HG2 VAL 73 -1.235 -3.125 -7.523 585 2HG2 VAL 73 2HG2 VAL 73 -1.999 -2.064 -6.339 586 3HG2 VAL 73 3HG2 VAL 73 -1.563 -1.441 -7.930 587 H ARG 74 H ARG 74 -4.311 -3.090 -11.277 588 HA ARG 74 HA ARG 74 -7.028 -2.334 -11.542 589 1HB ARG 74 2HB ARG 74 -5.363 -4.607 -12.555 590 2HB ARG 74 1HB ARG 74 -7.114 -4.698 -12.750 591 1HG ARG 74 2HG ARG 74 -5.839 -2.113 -13.477 592 2HG ARG 74 1HG ARG 74 -5.512 -3.477 -14.547 593 1HD ARG 74 2HD ARG 74 -8.120 -3.856 -14.355 594 2HD ARG 74 1HD ARG 74 -8.126 -2.147 -13.921 595 HE ARG 74 HE ARG 74 -6.550 -2.414 -16.260 596 1HH1 ARG 74 2HH1 ARG 74 -9.722 -3.328 -15.319 597 2HH1 ARG 74 1HH1 ARG 74 -10.465 -2.781 -16.785 598 1HH2 ARG 74 1HH2 ARG 74 -7.528 -1.495 -18.106 599 2HH2 ARG 74 2HH2 ARG 74 -9.223 -1.742 -18.362 600 HA PRO 75 HA PRO 75 -9.066 -4.722 -8.471 601 1HB PRO 75 2HB PRO 75 -11.537 -4.916 -9.657 602 2HB PRO 75 1HB PRO 75 -10.928 -3.433 -8.903 603 1HG PRO 75 2HG PRO 75 -11.211 -4.085 -11.799 604 2HG PRO 75 1HG PRO 75 -11.213 -2.504 -11.000 605 1HD PRO 75 2HD PRO 75 -9.040 -3.655 -12.410 606 2HD PRO 75 1HD PRO 75 -8.964 -2.231 -11.350 607 H TYR 76 H TYR 76 -10.577 -6.781 -8.362 608 HA TYR 76 HA TYR 76 -9.200 -8.938 -9.704 609 1HB TYR 76 2HB TYR 76 -10.095 -9.390 -7.530 610 2HB TYR 76 1HB TYR 76 -11.698 -8.826 -7.999 611 HD1 TYR 76 HD1 TYR 76 -9.352 -11.016 -9.907 612 HD2 TYR 76 HD2 TYR 76 -13.064 -10.743 -7.760 613 HE1 TYR 76 HE1 TYR 76 -9.948 -13.309 -10.644 614 HE2 TYR 76 HE2 TYR 76 -13.661 -13.036 -8.496 615 HH TYR 76 HH TYR 76 -12.141 -14.619 -10.987 616 H GLY 77 H GLY 77 -12.699 -9.049 -9.679 617 1HA GLY 77 2HA GLY 77 -12.704 -8.855 -12.660 618 2HA GLY 77 1HA GLY 77 -13.486 -10.216 -11.855 619 H LEU 78 H LEU 78 -13.758 -6.849 -12.666 620 HA LEU 78 HA LEU 78 -16.590 -6.817 -12.438 621 1HB LEU 78 2HB LEU 78 -15.912 -6.942 -9.967 622 2HB LEU 78 1HB LEU 78 -15.276 -5.309 -10.170 623 HG LEU 78 HG LEU 78 -17.968 -5.601 -11.274 624 1HD1 LEU 78 1HD1 LEU 78 -18.437 -5.434 -8.480 625 2HD1 LEU 78 2HD1 LEU 78 -17.430 -6.859 -8.742 626 3HD1 LEU 78 3HD1 LEU 78 -18.971 -6.699 -9.586 627 1HD2 LEU 78 1HD2 LEU 78 -17.818 -3.398 -10.833 628 2HD2 LEU 78 2HD2 LEU 78 -16.276 -3.659 -10.019 629 3HD2 LEU 78 3HD2 LEU 78 -17.782 -3.751 -9.106 630 H GLU 79 H GLU 79 -13.585 -4.966 -12.255 631 HA GLU 79 HA GLU 79 -12.959 -2.974 -13.320 632 1HB GLU 79 2HB GLU 79 -15.400 -3.209 -15.062 633 2HB GLU 79 1HB GLU 79 -13.792 -2.616 -15.482 634 1HG GLU 79 2HG GLU 79 -12.869 -4.857 -15.358 635 2HG GLU 79 1HG GLU 79 -14.401 -5.496 -14.758 636 H ASN 80 H ASN 80 -13.252 -0.972 -12.502 637 HA ASN 80 HA ASN 80 -15.705 0.473 -12.525 638 1HB ASN 80 2HB ASN 80 -16.019 -1.417 -10.695 639 2HB ASN 80 1HB ASN 80 -15.063 -0.313 -9.705 640 1HD2 ASN 80 1HD2 ASN 80 -18.121 -0.611 -11.506 641 2HD2 ASN 80 2HD2 ASN 80 -18.877 0.719 -10.771 642 H VAL 81 H VAL 81 -12.965 0.980 -13.097 643 HA VAL 81 HA VAL 81 -12.147 2.823 -10.904 644 HB VAL 81 HB VAL 81 -10.588 1.806 -13.300 645 1HG1 VAL 81 1HG1 VAL 81 -10.178 4.121 -11.806 646 2HG1 VAL 81 2HG1 VAL 81 -8.969 3.293 -12.785 647 3HG1 VAL 81 3HG1 VAL 81 -9.096 2.943 -11.062 648 1HG2 VAL 81 1HG2 VAL 81 -9.437 1.043 -10.823 649 2HG2 VAL 81 2HG2 VAL 81 -10.199 -0.007 -12.019 650 3HG2 VAL 81 3HG2 VAL 81 -11.159 0.679 -10.707 651 HA PRO 82 HA PRO 82 -13.567 6.088 -13.567 652 1HB PRO 82 2HB PRO 82 -12.774 8.149 -11.928 653 2HB PRO 82 1HB PRO 82 -14.239 7.188 -11.658 654 1HG PRO 82 2HG PRO 82 -11.641 7.097 -10.198 655 2HG PRO 82 1HG PRO 82 -13.262 6.661 -9.633 656 1HD PRO 82 2HD PRO 82 -11.242 4.849 -10.451 657 2HD PRO 82 1HD PRO 82 -12.955 4.457 -10.189 658 HA PRO 83 HA PRO 83 -9.965 7.567 -15.633 659 1HB PRO 83 2HB PRO 83 -10.830 10.019 -16.521 660 2HB PRO 83 1HB PRO 83 -11.372 8.480 -17.213 661 1HG PRO 83 2HG PRO 83 -12.845 10.350 -15.418 662 2HG PRO 83 1HG PRO 83 -13.481 9.187 -16.592 663 1HD PRO 83 2HD PRO 83 -13.374 8.830 -13.780 664 2HD PRO 83 1HD PRO 83 -13.720 7.571 -14.985 665 H GLU 84 H GLU 84 -11.109 9.215 -12.860 666 HA GLU 84 HA GLU 84 -9.062 11.314 -12.881 667 1HB GLU 84 2HB GLU 84 -11.350 11.506 -11.767 668 2HB GLU 84 1HB GLU 84 -10.734 10.417 -10.522 669 1HG GLU 84 2HG GLU 84 -8.702 12.194 -10.600 670 2HG GLU 84 1HG GLU 84 -10.032 13.252 -11.075 671 H LEU 85 H LEU 85 -8.955 8.038 -12.340 672 HA LEU 85 HA LEU 85 -6.737 8.322 -10.353 673 1HB LEU 85 2HB LEU 85 -8.469 6.887 -9.475 674 2HB LEU 85 1HB LEU 85 -8.557 5.983 -10.987 675 HG LEU 85 HG LEU 85 -6.175 5.280 -10.642 676 1HD1 LEU 85 1HD1 LEU 85 -5.618 5.545 -8.030 677 2HD1 LEU 85 2HD1 LEU 85 -6.571 7.012 -8.245 678 3HD1 LEU 85 3HD1 LEU 85 -5.123 6.753 -9.217 679 1HD2 LEU 85 1HD2 LEU 85 -8.528 4.465 -9.151 680 2HD2 LEU 85 2HD2 LEU 85 -7.062 4.153 -8.220 681 3HD2 LEU 85 3HD2 LEU 85 -7.245 3.466 -9.834 682 H GLU 86 H GLU 86 -7.540 7.534 -13.584 683 HA GLU 86 HA GLU 86 -5.202 5.826 -14.051 684 1HB GLU 86 2HB GLU 86 -7.344 7.024 -15.804 685 2HB GLU 86 1HB GLU 86 -5.920 6.261 -16.510 686 1HG GLU 86 2HG GLU 86 -7.593 4.860 -14.424 687 2HG GLU 86 1HG GLU 86 -7.982 4.762 -16.142 688 H ALA 87 H ALA 87 -5.778 9.172 -13.801 689 HA ALA 87 HA ALA 87 -3.473 9.831 -15.567 690 1HB ALA 87 1HB ALA 87 -4.187 12.173 -15.268 691 2HB ALA 87 2HB ALA 87 -5.442 11.649 -14.146 692 3HB ALA 87 3HB ALA 87 -5.523 11.178 -15.843 693 H VAL 88 H VAL 88 -4.542 10.014 -12.192 694 HA VAL 88 HA VAL 88 -2.101 11.377 -11.337 695 HB VAL 88 HB VAL 88 -2.983 11.130 -9.092 696 1HG1 VAL 88 1HG1 VAL 88 -4.470 12.753 -9.554 697 2HG1 VAL 88 2HG1 VAL 88 -5.605 11.562 -10.188 698 3HG1 VAL 88 3HG1 VAL 88 -4.409 12.294 -11.256 699 1HG2 VAL 88 1HG2 VAL 88 -4.621 8.994 -10.414 700 2HG2 VAL 88 2HG2 VAL 88 -5.298 9.841 -9.023 701 3HG2 VAL 88 3HG2 VAL 88 -3.781 8.956 -8.864 702 H SER 89 H SER 89 -3.150 8.079 -11.746 703 HA SER 89 HA SER 89 -1.233 6.854 -9.978 704 1HB SER 89 2HB SER 89 -1.633 4.870 -11.664 705 2HB SER 89 1HB SER 89 -2.936 5.389 -10.598 706 HG SER 89 HG SER 89 -2.540 5.891 -13.344 707 H SER 90 H SER 90 0.825 7.759 -10.355 708 HA SER 90 HA SER 90 2.104 8.375 -12.726 709 1HB SER 90 2HB SER 90 3.237 7.010 -10.273 710 2HB SER 90 1HB SER 90 4.242 7.610 -11.589 711 HG SER 90 HG SER 90 2.304 9.286 -10.439 712 H GLU 91 H GLU 91 1.487 5.151 -11.426 713 HA GLU 91 HA GLU 91 2.169 4.028 -14.083 714 1HB GLU 91 2HB GLU 91 4.019 3.904 -12.030 715 2HB GLU 91 1HB GLU 91 3.171 2.364 -11.879 716 1HG GLU 91 2HG GLU 91 3.748 3.035 -14.663 717 2HG GLU 91 1HG GLU 91 5.212 2.924 -13.683 718 H VAL 92 H VAL 92 1.246 1.857 -14.365 719 HA VAL 92 HA VAL 92 -0.888 1.235 -12.363 720 HB VAL 92 HB VAL 92 -1.825 2.271 -14.430 721 1HG1 VAL 92 1HG1 VAL 92 -0.235 1.617 -16.094 722 2HG1 VAL 92 2HG1 VAL 92 -1.733 0.780 -16.502 723 3HG1 VAL 92 3HG1 VAL 92 -0.425 -0.091 -15.701 724 1HG2 VAL 92 1HG2 VAL 92 -3.635 0.903 -14.282 725 2HG2 VAL 92 2HG2 VAL 92 -2.686 0.019 -13.086 726 3HG2 VAL 92 3HG2 VAL 92 -2.708 -0.517 -14.766 727 H VAL 93 H VAL 93 -1.237 -0.987 -11.982 728 HA VAL 93 HA VAL 93 0.617 -2.850 -13.404 729 HB VAL 93 HB VAL 93 -0.009 -2.792 -10.440 730 1HG1 VAL 93 1HG1 VAL 93 1.661 -4.663 -10.360 731 2HG1 VAL 93 2HG1 VAL 93 1.641 -4.700 -12.124 732 3HG1 VAL 93 3HG1 VAL 93 0.179 -5.089 -11.216 733 1HG2 VAL 93 1HG2 VAL 93 2.110 -1.922 -10.109 734 2HG2 VAL 93 2HG2 VAL 93 1.738 -1.187 -11.667 735 3HG2 VAL 93 3HG2 VAL 93 2.746 -2.632 -11.593 736 H GLY 94 H GLY 94 -0.215 -4.951 -13.748 737 1HA GLY 94 2HA GLY 94 -3.159 -5.175 -13.306 738 2HA GLY 94 1HA GLY 94 -2.270 -6.008 -14.583 739 H TRP 95 H TRP 95 -3.032 -8.078 -13.875 740 HA TRP 95 HA TRP 95 -2.190 -8.935 -11.155 741 1HB TRP 95 2HB TRP 95 -4.105 -9.996 -13.211 742 2HB TRP 95 1HB TRP 95 -3.439 -11.096 -12.005 743 HD1 TRP 95 HD1 TRP 95 -5.531 -7.894 -12.297 744 HE1 TRP 95 HE1 TRP 95 -6.894 -7.606 -10.127 745 HE3 TRP 95 HE3 TRP 95 -3.596 -11.725 -9.529 746 HZ2 TRP 95 HZ2 TRP 95 -7.131 -8.841 -7.554 747 HZ3 TRP 95 HZ3 TRP 95 -4.406 -12.149 -7.224 748 HH2 TRP 95 HH2 TRP 95 -6.170 -10.711 -6.235 749 H ASN 96 H ASN 96 -0.079 -8.461 -12.937 750 HA ASN 96 HA ASN 96 0.741 -11.193 -13.812 751 1HB ASN 96 2HB ASN 96 1.080 -8.549 -14.927 752 2HB ASN 96 1HB ASN 96 2.655 -9.294 -14.649 753 1HD2 ASN 96 1HD2 ASN 96 3.320 -10.351 -16.518 754 2HD2 ASN 96 2HD2 ASN 96 2.311 -11.253 -17.542 755 HA PRO 97 HA PRO 97 3.682 -11.328 -10.547 756 1HB PRO 97 2HB PRO 97 5.389 -13.186 -11.641 757 2HB PRO 97 1HB PRO 97 3.810 -13.595 -10.948 758 1HG PRO 97 2HG PRO 97 4.621 -13.452 -13.815 759 2HG PRO 97 1HG PRO 97 3.339 -14.411 -13.059 760 1HD PRO 97 2HD PRO 97 2.977 -12.007 -14.511 761 2HD PRO 97 1HD PRO 97 1.765 -12.798 -13.479 762 H HIS 98 H HIS 98 5.143 -11.258 -13.820 763 HA HIS 98 HA HIS 98 7.599 -10.027 -12.887 764 1HB HIS 98 2HB HIS 98 6.933 -11.374 -15.141 765 2HB HIS 98 1HB HIS 98 6.804 -9.717 -15.733 766 HD1 HIS 98 HD1 HIS 98 9.192 -12.225 -15.755 767 HD2 HIS 98 HD2 HIS 98 9.353 -8.264 -14.467 768 HE1 HIS 98 HE1 HIS 98 11.639 -11.576 -15.742 769 H CYS 99 H CYS 99 4.534 -8.850 -14.167 770 HA CYS 99 HA CYS 99 5.322 -6.181 -14.775 771 1HB CYS 99 2HB CYS 99 2.733 -7.506 -14.044 772 2HB CYS 99 1HB CYS 99 2.806 -5.745 -14.083 773 HG CYS 99 HG CYS 99 4.008 -6.833 -16.617 774 H ILE 100 H ILE 100 4.971 -7.806 -11.755 775 HA ILE 100 HA ILE 100 4.419 -5.486 -10.120 776 HB ILE 100 HB ILE 100 5.717 -8.135 -9.413 777 1HG1 ILE 100 2HG1 ILE 100 3.339 -8.133 -10.349 778 2HG1 ILE 100 1HG1 ILE 100 3.528 -8.842 -8.745 779 1HG2 ILE 100 1HG2 ILE 100 4.466 -7.134 -7.161 780 2HG2 ILE 100 2HG2 ILE 100 5.176 -5.690 -7.882 781 3HG2 ILE 100 3HG2 ILE 100 6.200 -7.066 -7.474 782 1HD1 ILE 100 1HD1 ILE 100 2.149 -7.309 -7.840 783 2HD1 ILE 100 2HD1 ILE 100 1.795 -6.744 -9.472 784 3HD1 ILE 100 3HD1 ILE 100 3.085 -5.987 -8.538 785 H ARG 101 H ARG 101 7.377 -7.072 -11.250 786 HA ARG 101 HA ARG 101 9.131 -5.407 -9.634 787 1HB ARG 101 2HB ARG 101 9.404 -7.592 -11.549 788 2HB ARG 101 1HB ARG 101 10.630 -6.347 -11.790 789 1HG ARG 101 2HG ARG 101 10.682 -6.522 -9.088 790 2HG ARG 101 1HG ARG 101 10.221 -8.177 -9.489 791 1HD ARG 101 2HD ARG 101 12.161 -8.004 -11.248 792 2HD ARG 101 1HD ARG 101 12.723 -6.683 -10.224 793 HE ARG 101 HE ARG 101 12.119 -9.074 -8.689 794 1HH1 ARG 101 1HH2 ARG 101 14.429 -7.376 -10.611 795 2HH1 ARG 101 2HH2 ARG 101 15.788 -8.234 -9.967 796 1HH2 ARG 101 2HH1 ARG 101 13.881 -10.235 -7.877 797 2HH2 ARG 101 1HH1 ARG 101 15.479 -9.848 -8.421 798 H ASP 102 H ASP 102 8.329 -5.481 -13.122 799 HA ASP 102 HA ASP 102 9.823 -3.241 -13.928 800 1HB ASP 102 2HB ASP 102 7.805 -4.880 -15.047 801 2HB ASP 102 1HB ASP 102 7.256 -3.215 -15.243 802 H ALA 103 H ALA 103 6.850 -3.384 -12.088 803 HA ALA 103 HA ALA 103 6.185 -0.572 -12.463 804 1HB ALA 103 1HB ALA 103 5.053 -2.887 -11.089 805 2HB ALA 103 2HB ALA 103 4.239 -1.463 -11.738 806 3HB ALA 103 3HB ALA 103 4.939 -1.418 -10.119 807 H LEU 104 H LEU 104 7.386 -2.437 -9.644 808 HA LEU 104 HA LEU 104 7.872 -0.243 -7.944 809 1HB LEU 104 2HB LEU 104 8.798 -3.031 -8.136 810 2HB LEU 104 1HB LEU 104 9.935 -1.953 -7.326 811 HG LEU 104 HG LEU 104 8.156 -1.187 -5.812 812 1HD1 LEU 104 1HD1 LEU 104 6.423 -1.939 -7.758 813 2HD1 LEU 104 2HD1 LEU 104 5.944 -1.707 -6.077 814 3HD1 LEU 104 3HD1 LEU 104 6.292 -3.327 -6.680 815 1HD2 LEU 104 1HD2 LEU 104 8.892 -2.904 -4.546 816 2HD2 LEU 104 2HD2 LEU 104 9.185 -3.890 -5.980 817 3HD2 LEU 104 3HD2 LEU 104 7.594 -3.888 -5.220 818 H GLU 105 H GLU 105 9.636 -1.300 -10.758 819 HA GLU 105 HA GLU 105 12.097 0.101 -10.122 820 1HB GLU 105 2HB GLU 105 10.936 -1.094 -12.634 821 2HB GLU 105 1HB GLU 105 12.424 -0.149 -12.684 822 1HG GLU 105 2HG GLU 105 13.633 -1.734 -11.548 823 2HG GLU 105 1HG GLU 105 12.250 -2.246 -10.581 824 H ASP 106 H ASP 106 9.218 0.878 -12.070 825 HA ASP 106 HA ASP 106 10.041 3.291 -13.222 826 1HB ASP 106 2HB ASP 106 7.349 2.513 -12.071 827 2HB ASP 106 1HB ASP 106 7.610 3.987 -13.005 828 H ALA 107 H ALA 107 9.436 2.587 -9.872 829 HA ALA 107 HA ALA 107 8.901 5.194 -8.885 830 1HB ALA 107 1HB ALA 107 8.682 3.715 -7.158 831 2HB ALA 107 2HB ALA 107 10.374 4.121 -6.870 832 3HB ALA 107 3HB ALA 107 9.959 2.661 -7.767 833 H LEU 108 H LEU 108 12.047 3.543 -9.329 834 HA LEU 108 HA LEU 108 13.342 6.227 -9.060 835 1HB LEU 108 2HB LEU 108 14.261 3.434 -8.424 836 2HB LEU 108 1HB LEU 108 15.447 4.690 -8.778 837 HG LEU 108 HG LEU 108 13.515 5.790 -6.984 838 1HD1 LEU 108 1HD1 LEU 108 13.754 3.003 -6.622 839 2HD1 LEU 108 2HD1 LEU 108 13.040 4.163 -5.501 840 3HD1 LEU 108 3HD1 LEU 108 14.746 3.736 -5.361 841 1HD2 LEU 108 1HD2 LEU 108 15.427 6.416 -5.798 842 2HD2 LEU 108 2HD2 LEU 108 16.097 6.142 -7.406 843 3HD2 LEU 108 3HD2 LEU 108 16.266 4.907 -6.158 844 H ASP 109 H ASP 109 12.087 4.912 -11.499 845 HA ASP 109 HA ASP 109 14.273 5.567 -13.331 846 1HB ASP 109 2HB ASP 109 13.235 2.739 -13.058 847 2HB ASP 109 1HB ASP 109 14.032 3.316 -14.522 848 H VAL 110 H VAL 110 13.472 5.377 -15.652 849 HA VAL 110 HA VAL 110 10.515 5.390 -15.886 850 HB VAL 110 HB VAL 110 12.330 7.699 -16.630 851 1HG1 VAL 110 1HG1 VAL 110 10.926 8.180 -18.320 852 2HG1 VAL 110 2HG1 VAL 110 9.591 8.260 -17.172 853 3HG1 VAL 110 3HG1 VAL 110 9.981 6.735 -17.965 854 1HG2 VAL 110 1HG2 VAL 110 9.973 7.335 -14.766 855 2HG2 VAL 110 2HG2 VAL 110 10.544 8.925 -15.271 856 3HG2 VAL 110 3HG2 VAL 110 11.607 7.857 -14.355 857 H ILE 111 HN ILE 111 11.131 3.360 -17.027 858 HA ILE 111 HA ILE 111 12.047 3.948 -19.813 859 HB ILE 111 HB ILE 111 13.170 1.813 -19.885 860 1HG1 ILE 111 2HG1 ILE 111 12.009 1.400 -17.111 861 2HG1 ILE 111 1HG1 ILE 111 11.578 0.504 -18.567 862 1HG2 ILE 111 1HG2 ILE 111 13.747 3.736 -17.720 863 2HG2 ILE 111 2HG2 ILE 111 14.810 3.103 -18.976 864 3HG2 ILE 111 3HG2 ILE 111 14.505 2.156 -17.520 865 1HD1 ILE 111 1HD1 ILE 111 14.333 0.251 -18.485 866 2HD1 ILE 111 2HD1 ILE 111 13.180 -0.968 -17.945 867 3HD1 ILE 111 3HD1 ILE 111 13.879 0.160 -16.784 Start of MODEL 10 1 1H VAL 1 1H VAL 1 22.120 -11.787 0.172 2 2H VAL 1 2H VAL 1 23.128 -10.741 1.054 3 3H VAL 1 3H VAL 1 22.849 -10.463 -0.599 4 HA VAL 1 HA VAL 1 20.427 -10.197 -0.025 5 HB VAL 1 HB VAL 1 21.594 -9.819 2.745 6 1HG1 VAL 1 1HG1 VAL 1 19.293 -8.809 1.587 7 2HG1 VAL 1 2HG1 VAL 1 19.550 -9.024 3.318 8 3HG1 VAL 1 3HG1 VAL 1 18.715 -10.270 2.390 9 1HG2 VAL 1 1HG2 VAL 1 20.004 -11.900 3.115 10 2HG2 VAL 1 2HG2 VAL 1 21.659 -12.142 2.556 11 3HG2 VAL 1 3HG2 VAL 1 20.322 -12.186 1.404 12 H THR 2 H THR 2 19.893 -8.072 -0.433 13 HA THR 2 HA THR 2 20.981 -5.745 0.636 14 HB THR 2 HB THR 2 23.180 -6.206 -0.086 15 HG1 THR 2 HG1 THR 2 23.474 -4.758 -1.858 16 1HG2 THR 2 1HG2 THR 2 23.292 -6.770 -2.743 17 2HG2 THR 2 2HG2 THR 2 21.765 -7.541 -2.315 18 3HG2 THR 2 3HG2 THR 2 23.251 -8.004 -1.484 19 H ALA 3 H ALA 3 18.530 -6.653 -0.455 20 HA ALA 3 HA ALA 3 17.987 -4.442 -2.315 21 1HB ALA 3 1HB ALA 3 17.320 -7.285 -3.128 22 2HB ALA 3 2HB ALA 3 18.696 -6.384 -3.762 23 3HB ALA 3 3HB ALA 3 17.054 -5.819 -4.072 24 H GLU 4 H GLU 4 16.170 -3.543 -1.473 25 HA GLU 4 HA GLU 4 13.891 -5.273 -0.760 26 1HB GLU 4 2HB GLU 4 13.665 -4.120 1.479 27 2HB GLU 4 1HB GLU 4 15.040 -5.219 1.362 28 1HG GLU 4 2HG GLU 4 16.549 -3.352 0.932 29 2HG GLU 4 1HG GLU 4 15.193 -2.224 0.916 30 H ILE 5 H ILE 5 11.899 -4.031 -0.560 31 HA ILE 5 HA ILE 5 12.130 -1.222 -1.560 32 HB ILE 5 HB ILE 5 9.937 -1.741 -2.798 33 1HG1 ILE 5 2HG1 ILE 5 10.940 -4.574 -2.362 34 2HG1 ILE 5 1HG1 ILE 5 9.517 -3.881 -1.581 35 1HG2 ILE 5 1HG2 ILE 5 11.728 -3.426 -4.262 36 2HG2 ILE 5 2HG2 ILE 5 12.677 -2.156 -3.487 37 3HG2 ILE 5 3HG2 ILE 5 11.340 -1.731 -4.556 38 1HD1 ILE 5 1HD1 ILE 5 8.814 -3.306 -4.061 39 2HD1 ILE 5 2HD1 ILE 5 8.542 -4.925 -3.417 40 3HD1 ILE 5 3HD1 ILE 5 9.929 -4.613 -4.460 41 H ARG 6 H ARG 6 10.520 0.210 -0.764 42 HA ARG 6 HA ARG 6 8.956 -0.876 1.544 43 1HB ARG 6 2HB ARG 6 10.604 1.531 1.190 44 2HB ARG 6 1HB ARG 6 9.010 1.869 1.867 45 1HG ARG 6 2HG ARG 6 10.283 1.396 3.780 46 2HG ARG 6 1HG ARG 6 9.514 -0.154 3.437 47 1HD ARG 6 2HD ARG 6 11.484 -1.149 2.894 48 2HD ARG 6 1HD ARG 6 12.064 0.269 2.020 49 HE ARG 6 HE ARG 6 12.172 0.046 5.004 50 1HH1 ARG 6 1HH2 ARG 6 14.220 -0.281 2.472 51 2HH1 ARG 6 2HH2 ARG 6 15.271 1.036 2.872 52 1HH2 ARG 6 2HH1 ARG 6 13.164 2.328 5.305 53 2HH2 ARG 6 1HH1 ARG 6 14.674 2.513 4.476 54 H LEU 7 H LEU 7 6.872 -1.158 0.869 55 HA LEU 7 HA LEU 7 5.678 0.995 -0.833 56 1HB LEU 7 2HB LEU 7 4.844 -1.916 -0.682 57 2HB LEU 7 1HB LEU 7 4.199 -0.694 -1.777 58 HG LEU 7 HG LEU 7 6.994 -0.614 -2.119 59 1HD1 LEU 7 1HD1 LEU 7 7.794 -2.757 -2.167 60 2HD1 LEU 7 2HD1 LEU 7 6.246 -3.430 -2.681 61 3HD1 LEU 7 3HD1 LEU 7 6.516 -3.034 -0.983 62 1HD2 LEU 7 1HD2 LEU 7 5.126 -0.289 -3.792 63 2HD2 LEU 7 2HD2 LEU 7 4.947 -2.043 -3.840 64 3HD2 LEU 7 3HD2 LEU 7 6.451 -1.296 -4.376 65 H TYR 8 H TYR 8 3.194 1.042 -0.528 66 HA TYR 8 HA TYR 8 2.349 0.335 2.222 67 1HB TYR 8 2HB TYR 8 3.213 2.570 2.548 68 2HB TYR 8 1HB TYR 8 2.379 3.155 1.108 69 HD1 TYR 8 HD1 TYR 8 0.242 4.094 1.306 70 HD2 TYR 8 HD2 TYR 8 1.705 1.502 4.405 71 HE1 TYR 8 HE1 TYR 8 -1.771 4.588 2.670 72 HE2 TYR 8 HE2 TYR 8 -0.307 1.995 5.770 73 HH TYR 8 HH TYR 8 -2.054 3.490 5.991 74 H ILE 9 H ILE 9 0.787 -1.062 1.346 75 HA ILE 9 HA ILE 9 -1.004 -0.162 -0.782 76 HB ILE 9 HB ILE 9 -1.348 -2.575 1.012 77 1HG1 ILE 9 2HG1 ILE 9 -0.175 -3.314 -1.455 78 2HG1 ILE 9 1HG1 ILE 9 0.779 -1.959 -0.847 79 1HG2 ILE 9 1HG2 ILE 9 -2.369 -1.702 -1.685 80 2HG2 ILE 9 2HG2 ILE 9 -3.279 -2.317 -0.305 81 3HG2 ILE 9 3HG2 ILE 9 -2.291 -3.415 -1.269 82 1HD1 ILE 9 1HD1 ILE 9 0.358 -4.669 0.346 83 2HD1 ILE 9 2HD1 ILE 9 0.574 -3.305 1.443 84 3HD1 ILE 9 3HD1 ILE 9 1.827 -3.696 0.265 85 H THR 10 H THR 10 -2.974 0.799 -0.510 86 HA THR 10 HA THR 10 -3.767 2.016 1.889 87 HB THR 10 HB THR 10 -6.159 1.791 0.739 88 HG1 THR 10 HG1 THR 10 -4.541 1.478 -1.518 89 1HG2 THR 10 1HG2 THR 10 -5.705 3.907 0.110 90 2HG2 THR 10 2HG2 THR 10 -4.472 3.374 -1.032 91 3HG2 THR 10 3HG2 THR 10 -4.055 3.622 0.664 92 H GLU 11 H GLU 11 -5.021 1.368 3.637 93 HA GLU 11 HA GLU 11 -5.125 -1.367 4.356 94 1HB GLU 11 2HB GLU 11 -6.654 1.057 5.304 95 2HB GLU 11 1HB GLU 11 -6.967 -0.542 5.980 96 1HG GLU 11 2HG GLU 11 -4.783 -0.736 6.850 97 2HG GLU 11 1HG GLU 11 -4.161 0.546 5.811 98 H GLY 12 H GLY 12 -6.523 -2.990 3.810 99 1HA GLY 12 2HA GLY 12 -9.184 -2.267 2.701 100 2HA GLY 12 1HA GLY 12 -8.125 -3.284 1.723 101 H GLU 13 H GLU 13 -10.720 -4.021 2.851 102 HA GLU 13 HA GLU 13 -9.809 -6.304 4.552 103 1HB GLU 13 2HB GLU 13 -11.914 -4.295 5.044 104 2HB GLU 13 1HB GLU 13 -12.430 -5.965 5.284 105 1HG GLU 13 2HG GLU 13 -10.015 -6.037 6.518 106 2HG GLU 13 1HG GLU 13 -10.465 -4.357 6.816 107 H VAL 14 H VAL 14 -10.420 -5.893 1.589 108 HA VAL 14 HA VAL 14 -12.764 -7.684 1.265 109 HB VAL 14 HB VAL 14 -11.112 -6.590 -1.001 110 1HG1 VAL 14 1HG1 VAL 14 -13.402 -6.524 -2.046 111 2HG1 VAL 14 2HG1 VAL 14 -14.037 -7.269 -0.579 112 3HG1 VAL 14 3HG1 VAL 14 -12.878 -8.143 -1.582 113 1HG2 VAL 14 1HG2 VAL 14 -11.644 -4.759 0.687 114 2HG2 VAL 14 2HG2 VAL 14 -13.349 -5.075 0.369 115 3HG2 VAL 14 3HG2 VAL 14 -12.302 -4.504 -0.929 116 H GLU 15 H GLU 15 -12.548 -9.645 -0.037 117 HA GLU 15 HA GLU 15 -10.324 -11.264 0.676 118 1HB GLU 15 2HB GLU 15 -12.450 -12.262 0.027 119 2HB GLU 15 1HB GLU 15 -12.313 -11.577 -1.593 120 1HG GLU 15 2HG GLU 15 -11.628 -13.930 -1.624 121 2HG GLU 15 1HG GLU 15 -10.237 -12.895 -1.951 122 H ASP 16 H ASP 16 -10.703 -8.929 -1.832 123 HA ASP 16 HA ASP 16 -8.751 -9.976 -3.678 124 1HB ASP 16 2HB ASP 16 -9.398 -7.049 -3.273 125 2HB ASP 16 1HB ASP 16 -8.869 -7.849 -4.754 126 H TYR 17 H TYR 17 -8.443 -7.116 -1.540 127 HA TYR 17 HA TYR 17 -5.688 -6.784 -1.687 128 1HB TYR 17 2HB TYR 17 -7.220 -5.298 -0.404 129 2HB TYR 17 1HB TYR 17 -7.351 -6.542 0.840 130 HD1 TYR 17 HD1 TYR 17 -4.291 -5.692 -1.100 131 HD2 TYR 17 HD2 TYR 17 -6.316 -5.425 2.682 132 HE1 TYR 17 HE1 TYR 17 -2.206 -4.860 -0.041 133 HE2 TYR 17 HE2 TYR 17 -4.233 -4.594 3.739 134 HH TYR 17 HH TYR 17 -1.952 -4.443 3.437 135 H ARG 18 H ARG 18 -7.480 -9.244 0.078 136 HA ARG 18 HA ARG 18 -5.296 -10.194 1.684 137 1HB ARG 18 2HB ARG 18 -7.835 -10.735 1.858 138 2HB ARG 18 1HB ARG 18 -7.498 -11.972 0.646 139 1HG ARG 18 2HG ARG 18 -6.730 -13.327 2.267 140 2HG ARG 18 1HG ARG 18 -5.456 -12.156 2.617 141 1HD ARG 18 2HD ARG 18 -6.562 -11.290 4.423 142 2HD ARG 18 1HD ARG 18 -8.148 -11.498 3.681 143 HE ARG 18 HE ARG 18 -8.245 -13.696 4.593 144 1HH1 ARG 18 1HH2 ARG 18 -5.072 -13.680 3.922 145 2HH1 ARG 18 2HH2 ARG 18 -4.506 -14.233 5.463 146 1HH2 ARG 18 2HH1 ARG 18 -7.560 -13.788 7.043 147 2HH2 ARG 18 1HH1 ARG 18 -5.914 -14.294 7.229 148 H VAL 19 H VAL 19 -6.630 -11.397 -1.417 149 HA VAL 19 HA VAL 19 -4.696 -13.426 -1.845 150 HB VAL 19 HB VAL 19 -6.189 -11.710 -3.853 151 1HG1 VAL 19 1HG1 VAL 19 -5.199 -12.857 -5.533 152 2HG1 VAL 19 2HG1 VAL 19 -5.347 -14.391 -4.676 153 3HG1 VAL 19 3HG1 VAL 19 -3.983 -13.323 -4.343 154 1HG2 VAL 19 1HG2 VAL 19 -7.933 -13.157 -3.604 155 2HG2 VAL 19 2HG2 VAL 19 -7.183 -13.528 -2.052 156 3HG2 VAL 19 3HG2 VAL 19 -6.870 -14.556 -3.451 157 H PHE 20 H PHE 20 -4.567 -9.953 -2.399 158 HA PHE 20 HA PHE 20 -2.154 -9.972 -3.980 159 1HB PHE 20 2HB PHE 20 -3.946 -8.065 -3.500 160 2HB PHE 20 1HB PHE 20 -2.826 -7.660 -2.199 161 HD1 PHE 20 HD1 PHE 20 -1.624 -5.769 -2.885 162 HD2 PHE 20 HD2 PHE 20 -2.204 -9.018 -5.636 163 HE1 PHE 20 HE1 PHE 20 -0.124 -4.653 -4.517 164 HE2 PHE 20 HE2 PHE 20 -0.704 -7.902 -7.269 165 HZ PHE 20 HZ PHE 20 0.335 -5.720 -6.710 166 H LEU 21 H LEU 21 -2.824 -9.831 -0.510 167 HA LEU 21 HA LEU 21 -0.146 -9.219 0.323 168 1HB LEU 21 2HB LEU 21 -2.646 -10.143 1.583 169 2HB LEU 21 1HB LEU 21 -1.182 -10.705 2.390 170 HG LEU 21 HG LEU 21 -1.347 -7.830 1.567 171 1HD1 LEU 21 1HD1 LEU 21 -2.245 -7.641 4.090 172 2HD1 LEU 21 2HD1 LEU 21 -2.993 -9.178 3.656 173 3HD1 LEU 21 3HD1 LEU 21 -3.342 -7.730 2.712 174 1HD2 LEU 21 1HD2 LEU 21 0.472 -7.679 2.904 175 2HD2 LEU 21 2HD2 LEU 21 0.470 -9.442 2.942 176 3HD2 LEU 21 3HD2 LEU 21 -0.340 -8.531 4.217 177 H GLU 22 H GLU 22 -1.883 -12.350 0.176 178 HA GLU 22 HA GLU 22 0.443 -13.913 0.822 179 1HB GLU 22 2HB GLU 22 -0.889 -15.830 0.158 180 2HB GLU 22 1HB GLU 22 -1.932 -14.706 1.029 181 1HG GLU 22 2HG GLU 22 -2.697 -13.774 -1.152 182 2HG GLU 22 1HG GLU 22 -1.721 -14.986 -1.983 183 H ARG 23 H ARG 23 -0.740 -12.512 -2.144 184 HA ARG 23 HA ARG 23 0.786 -14.232 -3.917 185 1HB ARG 23 2HB ARG 23 -0.978 -11.910 -4.160 186 2HB ARG 23 1HB ARG 23 0.384 -11.846 -5.278 187 1HG ARG 23 2HG ARG 23 -0.287 -14.428 -5.599 188 2HG ARG 23 1HG ARG 23 -1.868 -13.787 -5.150 189 1HD ARG 23 2HD ARG 23 -1.945 -13.417 -7.429 190 2HD ARG 23 1HD ARG 23 -1.202 -11.902 -6.913 191 HE ARG 23 HE ARG 23 0.774 -12.581 -8.001 192 1HH1 ARG 23 2HH1 ARG 23 -1.202 -15.290 -7.186 193 2HH1 ARG 23 1HH1 ARG 23 -0.281 -16.411 -8.132 194 1HH2 ARG 23 1HH2 ARG 23 1.931 -14.017 -9.312 195 2HH2 ARG 23 2HH2 ARG 23 1.489 -15.692 -9.334 196 H LEU 24 H LEU 24 1.413 -11.223 -2.198 197 HA LEU 24 HA LEU 24 3.838 -10.592 -3.658 198 1HB LEU 24 2HB LEU 24 2.344 -9.503 -1.380 199 2HB LEU 24 1HB LEU 24 4.092 -9.368 -1.189 200 HG LEU 24 HG LEU 24 3.829 -8.618 -3.789 201 1HD1 LEU 24 1HD1 LEU 24 1.287 -7.862 -2.334 202 2HD1 LEU 24 2HD1 LEU 24 1.446 -8.662 -3.898 203 3HD1 LEU 24 3HD1 LEU 24 1.878 -6.959 -3.729 204 1HD2 LEU 24 1HD2 LEU 24 4.830 -7.483 -1.624 205 2HD2 LEU 24 2HD2 LEU 24 3.327 -6.560 -1.658 206 3HD2 LEU 24 3HD2 LEU 24 4.432 -6.495 -3.030 207 H GLU 25 H GLU 25 3.094 -12.413 -0.715 208 HA GLU 25 HA GLU 25 5.818 -12.713 0.160 209 1HB GLU 25 2HB GLU 25 3.261 -13.524 1.060 210 2HB GLU 25 1HB GLU 25 4.202 -15.002 0.855 211 1HG GLU 25 2HG GLU 25 5.922 -14.230 2.317 212 2HG GLU 25 1HG GLU 25 5.296 -12.581 2.297 213 H GLN 26 H GLN 26 3.681 -14.810 -1.790 214 HA GLN 26 HA GLN 26 5.698 -16.828 -2.220 215 1HB GLN 26 2HB GLN 26 2.972 -16.252 -3.184 216 2HB GLN 26 1HB GLN 26 3.995 -17.085 -4.356 217 1HG GLN 26 2HG GLN 26 3.679 -19.010 -3.239 218 2HG GLN 26 1HG GLN 26 4.462 -18.300 -1.827 219 1HE2 GLN 26 1HE2 GLN 26 1.297 -18.850 -3.362 220 2HE2 GLN 26 2HE2 GLN 26 0.379 -18.536 -1.970 221 H SER 27 H SER 27 5.098 -13.730 -3.619 222 HA SER 27 HA SER 27 6.316 -14.191 -6.191 223 1HB SER 27 2HB SER 27 5.132 -12.204 -6.203 224 2HB SER 27 1HB SER 27 5.588 -11.801 -4.550 225 HG SER 27 HG SER 27 7.413 -10.944 -5.250 226 H GLY 28 H GLY 28 7.569 -13.495 -2.991 227 1HA GLY 28 2HA GLY 28 9.844 -14.053 -2.375 228 2HA GLY 28 1HA GLY 28 10.315 -13.873 -4.066 229 H LEU 29 H LEU 29 12.021 -12.522 -2.764 230 HA LEU 29 HA LEU 29 12.912 -10.343 -2.601 231 1HB LEU 29 2HB LEU 29 10.731 -10.016 -4.307 232 2HB LEU 29 1HB LEU 29 10.447 -8.839 -3.025 233 HG LEU 29 HG LEU 29 11.823 -7.895 -4.870 234 1HD1 LEU 29 1HD1 LEU 29 12.115 -7.460 -2.259 235 2HD1 LEU 29 2HD1 LEU 29 13.208 -6.723 -3.431 236 3HD1 LEU 29 3HD1 LEU 29 13.701 -8.174 -2.557 237 1HD2 LEU 29 1HD2 LEU 29 13.911 -8.796 -5.471 238 2HD2 LEU 29 2HD2 LEU 29 12.927 -10.240 -5.230 239 3HD2 LEU 29 3HD2 LEU 29 14.050 -9.717 -3.974 240 H GLU 30 H GLU 30 13.203 -9.151 -0.742 241 HA GLU 30 HA GLU 30 11.234 -9.579 1.427 242 1HB GLU 30 2HB GLU 30 13.979 -8.286 1.483 243 2HB GLU 30 1HB GLU 30 12.993 -8.670 2.894 244 1HG GLU 30 2HG GLU 30 13.728 -10.795 2.892 245 2HG GLU 30 1HG GLU 30 13.224 -11.003 1.214 246 H TRP 31 H TRP 31 9.559 -8.128 0.869 247 HA TRP 31 HA TRP 31 10.284 -5.266 0.533 248 1HB TRP 31 2HB TRP 31 7.977 -4.952 -0.173 249 2HB TRP 31 1HB TRP 31 8.643 -6.338 -1.035 250 HD1 TRP 31 HD1 TRP 31 7.688 -8.714 -0.495 251 HE1 TRP 31 HE1 TRP 31 5.643 -9.526 0.849 252 HE3 TRP 31 HE3 TRP 31 6.472 -4.399 1.953 253 HZ2 TRP 31 HZ2 TRP 31 3.740 -8.481 2.717 254 HZ3 TRP 31 HZ3 TRP 31 4.542 -4.333 3.507 255 HH2 TRP 31 HH2 TRP 31 3.176 -6.368 3.891 256 H ARG 32 H ARG 32 8.774 -3.701 1.758 257 HA ARG 32 HA ARG 32 7.786 -4.739 4.336 258 1HB ARG 32 2HB ARG 32 10.357 -3.377 4.029 259 2HB ARG 32 1HB ARG 32 9.291 -2.554 5.168 260 1HG ARG 32 2HG ARG 32 9.158 -4.407 6.588 261 2HG ARG 32 1HG ARG 32 9.608 -5.540 5.313 262 1HD ARG 32 2HD ARG 32 11.635 -5.456 6.385 263 2HD ARG 32 1HD ARG 32 11.844 -4.038 5.357 264 HE ARG 32 HE ARG 32 10.958 -2.717 7.375 265 1HH1 ARG 32 2HH1 ARG 32 11.369 -5.920 8.238 266 2HH1 ARG 32 1HH1 ARG 32 12.425 -5.614 9.577 267 1HH2 ARG 32 1HH2 ARG 32 12.814 -2.248 8.845 268 2HH2 ARG 32 2HH2 ARG 32 13.243 -3.535 9.921 269 HA PRO 33 HA PRO 33 4.978 -1.415 3.740 270 1HB PRO 33 2HB PRO 33 4.044 -1.209 6.318 271 2HB PRO 33 1HB PRO 33 3.588 -2.519 5.213 272 1HG PRO 33 2HG PRO 33 5.446 -2.592 7.544 273 2HG PRO 33 1HG PRO 33 4.497 -3.902 6.825 274 1HD PRO 33 2HD PRO 33 7.267 -3.452 6.437 275 2HD PRO 33 1HD PRO 33 6.242 -4.549 5.487 276 H ALA 34 H ALA 34 5.065 0.833 3.832 277 HA ALA 34 HA ALA 34 6.904 2.044 5.859 278 1HB ALA 34 1HB ALA 34 7.998 2.084 3.675 279 2HB ALA 34 2HB ALA 34 7.514 3.722 4.113 280 3HB ALA 34 3HB ALA 34 6.566 2.806 2.942 281 H THR 35 H THR 35 6.200 4.018 6.749 282 HA THR 35 HA THR 35 3.448 4.474 7.040 283 HB THR 35 HB THR 35 4.584 7.013 7.289 284 HG1 THR 35 HG1 THR 35 6.643 6.600 7.218 285 1HG2 THR 35 1HG2 THR 35 4.894 6.041 9.760 286 2HG2 THR 35 2HG2 THR 35 3.954 4.712 9.080 287 3HG2 THR 35 3HG2 THR 35 3.297 6.349 9.078 288 HA PRO 36 HA PRO 36 2.111 6.672 3.491 289 1HB PRO 36 2HB PRO 36 0.560 8.667 4.576 290 2HB PRO 36 1HB PRO 36 0.074 6.963 4.526 291 1HG PRO 36 2HG PRO 36 1.027 8.577 6.846 292 2HG PRO 36 1HG PRO 36 -0.025 7.153 6.828 293 1HD PRO 36 2HD PRO 36 2.726 7.171 7.496 294 2HD PRO 36 1HD PRO 36 1.744 5.731 7.151 295 H GLU 37 H GLU 37 4.310 8.113 5.558 296 HA GLU 37 HA GLU 37 4.399 10.653 3.995 297 1HB GLU 37 2HB GLU 37 4.461 10.457 6.640 298 2HB GLU 37 1HB GLU 37 6.172 10.139 6.354 299 1HG GLU 37 2HG GLU 37 6.568 12.254 5.495 300 2HG GLU 37 1HG GLU 37 4.906 12.449 4.935 301 H ASP 38 H ASP 38 6.622 8.143 5.264 302 HA ASP 38 HA ASP 38 8.549 8.888 3.120 303 1HB ASP 38 2HB ASP 38 8.977 8.370 5.770 304 2HB ASP 38 1HB ASP 38 9.295 6.787 5.061 305 H ALA 39 H ALA 39 6.133 7.463 2.429 306 HA ALA 39 HA ALA 39 6.705 4.633 2.174 307 1HB ALA 39 1HB ALA 39 4.576 6.492 1.364 308 2HB ALA 39 2HB ALA 39 4.462 4.811 1.884 309 3HB ALA 39 3HB ALA 39 4.858 5.190 0.208 310 H ASP 40 H ASP 40 8.057 3.711 0.712 311 HA ASP 40 HA ASP 40 9.433 5.301 -1.273 312 1HB ASP 40 2HB ASP 40 9.607 2.619 -0.189 313 2HB ASP 40 1HB ASP 40 9.741 2.583 -1.948 314 H ALA 41 H ALA 41 6.715 3.034 -1.363 315 HA ALA 41 HA ALA 41 5.999 4.093 -4.029 316 1HB ALA 41 1HB ALA 41 7.410 2.129 -4.526 317 2HB ALA 41 2HB ALA 41 5.732 1.832 -4.984 318 3HB ALA 41 3HB ALA 41 6.380 1.130 -3.501 319 H VAL 42 H VAL 42 3.869 4.582 -3.898 320 HA VAL 42 HA VAL 42 2.229 3.411 -1.760 321 HB VAL 42 HB VAL 42 1.494 5.382 -3.947 322 1HG1 VAL 42 1HG1 VAL 42 -0.153 3.894 -2.252 323 2HG1 VAL 42 2HG1 VAL 42 -0.604 5.368 -3.110 324 3HG1 VAL 42 3HG1 VAL 42 -0.012 5.459 -1.451 325 1HG2 VAL 42 1HG2 VAL 42 1.948 6.048 -1.048 326 2HG2 VAL 42 2HG2 VAL 42 2.032 7.107 -2.455 327 3HG2 VAL 42 3HG2 VAL 42 3.322 5.945 -2.149 328 H ILE 43 H ILE 43 0.658 1.860 -2.049 329 HA ILE 43 HA ILE 43 0.273 0.861 -4.843 330 HB ILE 43 HB ILE 43 -0.010 -0.732 -2.281 331 1HG1 ILE 43 2HG1 ILE 43 2.316 -0.513 -4.218 332 2HG1 ILE 43 1HG1 ILE 43 2.315 -0.028 -2.522 333 1HG2 ILE 43 1HG2 ILE 43 -0.348 -2.582 -3.642 334 2HG2 ILE 43 2HG2 ILE 43 0.506 -1.863 -5.008 335 3HG2 ILE 43 3HG2 ILE 43 -1.127 -1.329 -4.609 336 1HD1 ILE 43 1HD1 ILE 43 1.416 -2.773 -2.816 337 2HD1 ILE 43 2HD1 ILE 43 2.741 -2.134 -1.843 338 3HD1 ILE 43 3HD1 ILE 43 3.010 -2.549 -3.537 339 H VAL 44 H VAL 44 -1.562 2.235 -5.188 340 HA VAL 44 HA VAL 44 -3.833 2.122 -3.344 341 HB VAL 44 HB VAL 44 -3.775 3.221 -6.167 342 1HG1 VAL 44 1HG1 VAL 44 -6.010 3.034 -5.265 343 2HG1 VAL 44 2HG1 VAL 44 -5.539 4.732 -5.177 344 3HG1 VAL 44 3HG1 VAL 44 -5.500 3.728 -3.726 345 1HG2 VAL 44 1HG2 VAL 44 -1.996 4.038 -4.368 346 2HG2 VAL 44 2HG2 VAL 44 -3.382 4.930 -3.738 347 3HG2 VAL 44 3HG2 VAL 44 -2.839 5.199 -5.395 348 H LEU 45 H LEU 45 -5.414 0.596 -3.415 349 HA LEU 45 HA LEU 45 -5.428 -1.294 -5.705 350 1HB LEU 45 2HB LEU 45 -5.978 -1.481 -2.861 351 2HB LEU 45 1HB LEU 45 -7.328 -2.113 -3.804 352 HG LEU 45 HG LEU 45 -5.739 -3.913 -3.397 353 1HD1 LEU 45 1HD1 LEU 45 -4.997 -3.396 -6.193 354 2HD1 LEU 45 2HD1 LEU 45 -6.715 -3.170 -5.869 355 3HD1 LEU 45 3HD1 LEU 45 -5.945 -4.716 -5.508 356 1HD2 LEU 45 1HD2 LEU 45 -3.660 -2.335 -4.917 357 2HD2 LEU 45 2HD2 LEU 45 -3.431 -3.771 -3.919 358 3HD2 LEU 45 3HD2 LEU 45 -3.793 -2.219 -3.162 359 H ALA 46 H ALA 46 -6.970 -1.104 -7.257 360 HA ALA 46 HA ALA 46 -9.082 0.893 -6.987 361 1HB ALA 46 1HB ALA 46 -8.318 0.764 -9.187 362 2HB ALA 46 2HB ALA 46 -9.762 -0.244 -9.267 363 3HB ALA 46 3HB ALA 46 -8.170 -0.993 -9.140 364 H GLY 47 H GLY 47 -8.759 -2.481 -6.364 365 1HA GLY 47 2HA GLY 47 -11.501 -3.268 -6.734 366 2HA GLY 47 1HA GLY 47 -10.325 -4.111 -5.723 367 H LEU 48 H LEU 48 -9.899 -1.391 -4.320 368 HA LEU 48 HA LEU 48 -12.101 -1.793 -2.371 369 1HB LEU 48 2HB LEU 48 -9.402 -0.457 -2.265 370 2HB LEU 48 1HB LEU 48 -10.626 -0.096 -1.047 371 HG LEU 48 HG LEU 48 -10.506 -2.941 -1.446 372 1HD1 LEU 48 1HD1 LEU 48 -8.094 -2.973 -0.318 373 2HD1 LEU 48 2HD1 LEU 48 -7.899 -1.486 -1.246 374 3HD1 LEU 48 3HD1 LEU 48 -8.277 -2.998 -2.071 375 1HD2 LEU 48 1HD2 LEU 48 -11.341 -1.834 0.573 376 2HD2 LEU 48 2HD2 LEU 48 -9.755 -1.119 0.864 377 3HD2 LEU 48 3HD2 LEU 48 -9.973 -2.865 0.992 378 H TRP 49 H TRP 49 -12.205 -0.290 -5.058 379 HA TRP 49 HA TRP 49 -12.549 2.505 -4.420 380 1HB TRP 49 2HB TRP 49 -12.157 1.545 -6.732 381 2HB TRP 49 1HB TRP 49 -13.827 0.979 -6.705 382 HD1 TRP 49 HD1 TRP 49 -15.725 2.963 -6.293 383 HE1 TRP 49 HE1 TRP 49 -15.747 5.375 -7.204 384 HE3 TRP 49 HE3 TRP 49 -10.782 3.509 -7.467 385 HZ2 TRP 49 HZ2 TRP 49 -13.911 7.284 -8.287 386 HZ3 TRP 49 HZ3 TRP 49 -9.946 5.632 -8.436 387 HH2 TRP 49 HH2 TRP 49 -11.503 7.518 -8.847 388 H GLY 50 H GLY 50 -14.467 -0.274 -3.846 389 1HA GLY 50 2HA GLY 50 -16.900 1.423 -3.482 390 2HA GLY 50 1HA GLY 50 -16.931 -0.327 -3.708 391 H THR 51 H THR 51 -14.686 1.387 -1.583 392 HA THR 51 HA THR 51 -16.233 0.558 0.798 393 HB THR 51 HB THR 51 -14.665 -0.924 1.664 394 HG1 THR 51 HG1 THR 51 -12.881 0.417 1.505 395 1HG2 THR 51 1HG2 THR 51 -14.308 -1.201 -1.334 396 2HG2 THR 51 2HG2 THR 51 -15.626 -1.893 -0.387 397 3HG2 THR 51 3HG2 THR 51 -13.972 -2.455 -0.140 398 H ARG 52 H ARG 52 -13.064 1.861 -0.262 399 HA ARG 52 HA ARG 52 -13.479 4.070 1.708 400 1HB ARG 52 2HB ARG 52 -10.961 2.472 1.183 401 2HB ARG 52 1HB ARG 52 -10.957 4.021 2.026 402 1HG ARG 52 2HG ARG 52 -11.785 3.112 3.928 403 2HG ARG 52 1HG ARG 52 -12.982 2.160 3.047 404 1HD ARG 52 2HD ARG 52 -11.140 0.580 2.388 405 2HD ARG 52 1HD ARG 52 -10.058 1.475 3.455 406 HE ARG 52 HE ARG 52 -12.224 -0.325 4.304 407 1HH1 ARG 52 1HH2 ARG 52 -9.244 0.729 5.160 408 2HH1 ARG 52 2HH2 ARG 52 -9.601 1.065 6.820 409 1HH2 ARG 52 2HH1 ARG 52 -13.030 0.735 6.425 410 2HH2 ARG 52 1HH1 ARG 52 -11.744 1.069 7.537 411 H ARG 53 H ARG 53 -14.321 4.794 -0.610 412 HA ARG 53 HA ARG 53 -12.329 5.501 -2.579 413 1HB ARG 53 2HB ARG 53 -14.856 5.278 -2.939 414 2HB ARG 53 1HB ARG 53 -14.999 6.870 -2.192 415 1HG ARG 53 2HG ARG 53 -12.901 6.927 -4.164 416 2HG ARG 53 1HG ARG 53 -14.374 6.287 -4.894 417 1HD ARG 53 2HD ARG 53 -15.302 8.396 -3.349 418 2HD ARG 53 1HD ARG 53 -13.776 9.008 -3.991 419 HE ARG 53 HE ARG 53 -14.661 8.556 -6.266 420 1HH1 ARG 53 2HH1 ARG 53 -16.872 6.790 -4.809 421 2HH1 ARG 53 1HH1 ARG 53 -18.270 7.722 -5.227 422 1HH2 ARG 53 1HH2 ARG 53 -16.447 10.472 -6.291 423 2HH2 ARG 53 2HH2 ARG 53 -18.030 9.807 -6.065 424 H ASP 54 H ASP 54 -13.910 7.272 0.072 425 HA ASP 54 HA ASP 54 -12.533 9.762 -0.496 426 1HB ASP 54 2HB ASP 54 -13.428 10.506 1.649 427 2HB ASP 54 1HB ASP 54 -14.683 9.626 0.776 428 H GLU 55 H GLU 55 -11.932 6.977 1.600 429 HA GLU 55 HA GLU 55 -9.753 8.128 3.069 430 1HB GLU 55 2HB GLU 55 -11.087 5.632 2.967 431 2HB GLU 55 1HB GLU 55 -9.383 5.297 2.661 432 1HG GLU 55 2HG GLU 55 -8.997 5.507 4.866 433 2HG GLU 55 1HG GLU 55 -9.429 7.212 4.734 434 H ILE 56 H ILE 56 -9.973 6.535 -0.067 435 HA ILE 56 HA ILE 56 -7.091 6.306 -0.405 436 HB ILE 56 HB ILE 56 -9.319 6.214 -2.462 437 1HG1 ILE 56 2HG1 ILE 56 -7.836 3.829 -1.398 438 2HG1 ILE 56 1HG1 ILE 56 -9.165 4.503 -0.454 439 1HG2 ILE 56 1HG2 ILE 56 -6.374 5.944 -2.589 440 2HG2 ILE 56 2HG2 ILE 56 -7.521 6.376 -3.857 441 3HG2 ILE 56 3HG2 ILE 56 -7.281 4.683 -3.425 442 1HD1 ILE 56 1HD1 ILE 56 -10.669 4.280 -2.388 443 2HD1 ILE 56 2HD1 ILE 56 -9.959 2.720 -1.974 444 3HD1 ILE 56 3HD1 ILE 56 -9.344 3.632 -3.353 445 H LEU 57 H LEU 57 -9.588 8.455 -1.812 446 HA LEU 57 HA LEU 57 -7.968 10.109 -3.360 447 1HB LEU 57 2HB LEU 57 -10.573 10.191 -2.667 448 2HB LEU 57 1HB LEU 57 -9.969 11.501 -1.651 449 HG LEU 57 HG LEU 57 -8.790 12.375 -3.760 450 1HD1 LEU 57 1HD1 LEU 57 -9.508 11.591 -5.875 451 2HD1 LEU 57 2HD1 LEU 57 -10.883 10.729 -5.182 452 3HD1 LEU 57 3HD1 LEU 57 -9.246 10.117 -4.940 453 1HD2 LEU 57 1HD2 LEU 57 -10.748 13.492 -2.837 454 2HD2 LEU 57 2HD2 LEU 57 -11.818 12.298 -3.573 455 3HD2 LEU 57 3HD2 LEU 57 -10.916 13.420 -4.591 456 H GLY 58 H GLY 58 -8.368 10.116 0.155 457 1HA GLY 58 2HA GLY 58 -6.918 12.545 0.649 458 2HA GLY 58 1HA GLY 58 -7.174 11.256 1.826 459 H ALA 59 H ALA 59 -5.881 9.116 0.737 460 HA ALA 59 HA ALA 59 -3.168 9.540 1.363 461 1HB ALA 59 1HB ALA 59 -3.003 7.313 0.991 462 2HB ALA 59 2HB ALA 59 -3.533 7.481 -0.682 463 3HB ALA 59 3HB ALA 59 -4.724 7.357 0.612 464 H VAL 60 H VAL 60 -4.860 9.870 -1.721 465 HA VAL 60 HA VAL 60 -2.521 10.155 -3.362 466 HB VAL 60 HB VAL 60 -5.273 11.368 -3.773 467 1HG1 VAL 60 1HG1 VAL 60 -2.904 10.845 -5.578 468 2HG1 VAL 60 2HG1 VAL 60 -3.762 12.364 -5.318 469 3HG1 VAL 60 3HG1 VAL 60 -4.535 11.057 -6.216 470 1HG2 VAL 60 1HG2 VAL 60 -5.682 9.316 -5.129 471 2HG2 VAL 60 2HG2 VAL 60 -5.421 8.945 -3.424 472 3HG2 VAL 60 3HG2 VAL 60 -4.127 8.678 -4.593 473 H ASP 61 H ASP 61 -4.685 12.615 -1.913 474 HA ASP 61 HA ASP 61 -3.320 14.921 -2.733 475 1HB ASP 61 2HB ASP 61 -5.471 14.577 -1.221 476 2HB ASP 61 1HB ASP 61 -4.310 14.768 0.093 477 H LEU 62 H LEU 62 -2.587 12.745 -0.028 478 HA LEU 62 HA LEU 62 -0.414 14.341 1.011 479 1HB LEU 62 2HB LEU 62 -1.691 11.820 1.616 480 2HB LEU 62 1HB LEU 62 0.063 11.628 1.641 481 HG LEU 62 HG LEU 62 -1.447 13.811 3.106 482 1HD1 LEU 62 1HD1 LEU 62 -1.828 11.467 3.969 483 2HD1 LEU 62 2HD1 LEU 62 -1.040 12.545 5.122 484 3HD1 LEU 62 3HD1 LEU 62 -0.089 11.351 4.239 485 1HD2 LEU 62 1HD2 LEU 62 1.203 13.206 4.072 486 2HD2 LEU 62 2HD2 LEU 62 0.580 14.735 3.451 487 3HD2 LEU 62 3HD2 LEU 62 1.271 13.550 2.344 488 H ALA 63 H ALA 63 -0.671 11.781 -1.407 489 HA ALA 63 HA ALA 63 2.090 11.184 -1.700 490 1HB ALA 63 1HB ALA 63 0.132 9.974 -2.782 491 2HB ALA 63 2HB ALA 63 1.511 10.265 -3.844 492 3HB ALA 63 3HB ALA 63 0.076 11.286 -3.960 493 H ARG 64 H ARG 64 0.105 13.492 -3.597 494 HA ARG 64 HA ARG 64 2.411 14.617 -4.932 495 1HB ARG 64 2HB ARG 64 -0.310 15.895 -4.545 496 2HB ARG 64 1HB ARG 64 0.869 16.266 -5.804 497 1HG ARG 64 2HG ARG 64 0.227 14.506 -7.073 498 2HG ARG 64 1HG ARG 64 0.182 13.419 -5.685 499 1HD ARG 64 2HD ARG 64 -2.073 13.497 -6.229 500 2HD ARG 64 1HD ARG 64 -1.977 14.817 -5.064 501 HE ARG 64 HE ARG 64 -1.635 15.484 -7.936 502 1HH1 ARG 64 2HH1 ARG 64 -4.442 14.670 -6.779 503 2HH1 ARG 64 1HH1 ARG 64 -5.122 16.246 -6.547 504 1HH2 ARG 64 1HH2 ARG 64 -2.089 17.892 -6.886 505 2HH2 ARG 64 2HH2 ARG 64 -3.789 18.071 -6.608 506 H LYS 65 H LYS 65 1.120 15.012 -1.794 507 HA LYS 65 HA LYS 65 1.531 17.693 -1.155 508 1HB LYS 65 2HB LYS 65 0.745 15.982 0.463 509 2HB LYS 65 1HB LYS 65 2.377 15.316 0.532 510 1HG LYS 65 2HG LYS 65 2.535 18.148 0.949 511 2HG LYS 65 1HG LYS 65 1.314 17.487 2.037 512 1HD LYS 65 2HD LYS 65 2.833 16.166 3.169 513 2HD LYS 65 1HD LYS 65 3.889 15.998 1.766 514 1HE LYS 65 2HE LYS 65 3.784 18.768 2.468 515 2HE LYS 65 1HE LYS 65 4.125 17.843 3.931 516 1HZ LYS 65 1HZ LYS 65 6.124 17.235 3.175 517 2HZ LYS 65 2HZ LYS 65 5.962 18.539 2.098 518 3HZ LYS 65 3HZ LYS 65 5.572 16.963 1.594 519 H SER 66 H SER 66 3.937 15.239 -1.869 520 HA SER 66 HA SER 66 6.014 17.374 -1.747 521 1HB SER 66 2HB SER 66 6.738 16.313 0.153 522 2HB SER 66 1HB SER 66 5.937 14.801 -0.263 523 HG SER 66 HG SER 66 8.462 15.318 -0.489 524 H SER 67 H SER 67 6.272 13.888 -2.408 525 HA SER 67 HA SER 67 6.181 14.067 -5.254 526 1HB SER 67 2HB SER 67 8.151 15.346 -5.320 527 2HB SER 67 1HB SER 67 8.859 14.500 -3.949 528 HG SER 67 HG SER 67 8.240 13.160 -6.356 529 H LYS 68 H LYS 68 5.012 12.153 -4.053 530 HA LYS 68 HA LYS 68 6.896 9.862 -3.726 531 1HB LYS 68 2HB LYS 68 3.956 9.943 -3.006 532 2HB LYS 68 1HB LYS 68 5.159 8.763 -2.484 533 1HG LYS 68 2HG LYS 68 6.195 11.283 -1.757 534 2HG LYS 68 1HG LYS 68 4.492 11.311 -1.297 535 1HD LYS 68 2HD LYS 68 5.422 10.322 0.588 536 2HD LYS 68 1HD LYS 68 5.033 8.893 -0.369 537 1HE LYS 68 2HE LYS 68 7.315 8.685 0.450 538 2HE LYS 68 1HE LYS 68 7.360 8.941 -1.295 539 1HZ LYS 68 1HZ LYS 68 7.462 11.271 0.485 540 2HZ LYS 68 2HZ LYS 68 8.133 11.062 -1.062 541 3HZ LYS 68 3HZ LYS 68 8.863 10.337 0.290 542 HA PRO 69 HA PRO 69 5.448 8.166 -7.514 543 1HB PRO 69 2HB PRO 69 6.182 5.554 -7.059 544 2HB PRO 69 1HB PRO 69 7.332 6.837 -7.476 545 1HG PRO 69 2HG PRO 69 6.852 5.532 -4.838 546 2HG PRO 69 1HG PRO 69 8.318 6.311 -5.454 547 1HD PRO 69 2HD PRO 69 6.479 7.450 -3.629 548 2HD PRO 69 1HD PRO 69 7.757 8.320 -4.504 549 H ILE 70 H ILE 70 3.369 7.618 -8.070 550 HA ILE 70 HA ILE 70 1.731 6.140 -6.067 551 HB ILE 70 HB ILE 70 0.914 7.826 -8.451 552 1HG1 ILE 70 2HG1 ILE 70 0.342 8.405 -5.552 553 2HG1 ILE 70 1HG1 ILE 70 1.893 8.864 -6.255 554 1HG2 ILE 70 1HG2 ILE 70 -1.177 7.014 -8.227 555 2HG2 ILE 70 2HG2 ILE 70 -1.139 7.243 -6.478 556 3HG2 ILE 70 3HG2 ILE 70 -0.500 5.760 -7.189 557 1HD1 ILE 70 1HD1 ILE 70 -0.477 9.576 -7.875 558 2HD1 ILE 70 2HD1 ILE 70 0.975 10.515 -7.531 559 3HD1 ILE 70 3HD1 ILE 70 -0.328 10.439 -6.344 560 H ILE 71 H ILE 71 1.449 4.009 -6.467 561 HA ILE 71 HA ILE 71 1.601 3.069 -9.299 562 HB ILE 71 HB ILE 71 1.892 1.441 -6.758 563 1HG1 ILE 71 2HG1 ILE 71 3.722 3.064 -6.938 564 2HG1 ILE 71 1HG1 ILE 71 4.321 1.449 -7.321 565 1HG2 ILE 71 1HG2 ILE 71 1.810 -0.326 -8.146 566 2HG2 ILE 71 2HG2 ILE 71 3.176 0.325 -9.053 567 3HG2 ILE 71 3HG2 ILE 71 1.527 0.755 -9.511 568 1HD1 ILE 71 1HD1 ILE 71 4.268 3.811 -8.993 569 2HD1 ILE 71 2HD1 ILE 71 3.380 2.494 -9.758 570 3HD1 ILE 71 3HD1 ILE 71 5.063 2.264 -9.283 571 H THR 72 H THR 72 -0.360 2.613 -10.178 572 HA THR 72 HA THR 72 -2.665 2.164 -8.376 573 HB THR 72 HB THR 72 -2.702 2.306 -11.396 574 HG1 THR 72 HG1 THR 72 -3.337 4.517 -9.849 575 1HG2 THR 72 1HG2 THR 72 -4.770 1.512 -10.519 576 2HG2 THR 72 2HG2 THR 72 -5.019 3.229 -10.838 577 3HG2 THR 72 3HG2 THR 72 -4.733 2.670 -9.190 578 H VAL 73 H VAL 73 -3.852 0.250 -8.344 579 HA VAL 73 HA VAL 73 -2.697 -2.027 -9.906 580 HB VAL 73 HB VAL 73 -3.949 -2.148 -7.143 581 1HG1 VAL 73 1HG1 VAL 73 -2.222 -4.331 -8.087 582 2HG1 VAL 73 2HG1 VAL 73 -3.688 -4.131 -9.047 583 3HG1 VAL 73 3HG1 VAL 73 -3.803 -4.406 -7.309 584 1HG2 VAL 73 1HG2 VAL 73 -1.843 -1.035 -6.903 585 2HG2 VAL 73 2HG2 VAL 73 -1.068 -2.101 -8.076 586 3HG2 VAL 73 3HG2 VAL 73 -1.541 -2.724 -6.494 587 H ARG 74 H ARG 74 -4.162 -2.634 -11.420 588 HA ARG 74 HA ARG 74 -6.788 -1.837 -11.722 589 1HB ARG 74 2HB ARG 74 -5.255 -4.234 -12.565 590 2HB ARG 74 1HB ARG 74 -7.012 -4.375 -12.651 591 1HG ARG 74 2HG ARG 74 -6.294 -1.803 -13.663 592 2HG ARG 74 1HG ARG 74 -5.262 -2.999 -14.447 593 1HD ARG 74 2HD ARG 74 -7.862 -4.121 -14.347 594 2HD ARG 74 1HD ARG 74 -8.050 -2.460 -14.910 595 HE ARG 74 HE ARG 74 -5.877 -3.673 -16.317 596 1HH1 ARG 74 2HH1 ARG 74 -9.076 -4.684 -15.811 597 2HH1 ARG 74 1HH1 ARG 74 -9.465 -4.827 -17.493 598 1HH2 ARG 74 1HH2 ARG 74 -6.465 -3.467 -18.575 599 2HH2 ARG 74 2HH2 ARG 74 -7.987 -4.139 -19.057 600 HA PRO 75 HA PRO 75 -9.119 -3.722 -8.517 601 1HB PRO 75 2HB PRO 75 -11.565 -3.831 -9.769 602 2HB PRO 75 1HB PRO 75 -10.851 -2.335 -9.142 603 1HG PRO 75 2HG PRO 75 -11.096 -3.257 -11.969 604 2HG PRO 75 1HG PRO 75 -11.005 -1.607 -11.331 605 1HD PRO 75 2HD PRO 75 -8.880 -3.032 -12.536 606 2HD PRO 75 1HD PRO 75 -8.727 -1.535 -11.590 607 H TYR 76 H TYR 76 -10.265 -5.728 -7.964 608 HA TYR 76 HA TYR 76 -9.736 -7.911 -9.935 609 1HB TYR 76 2HB TYR 76 -8.562 -8.001 -7.699 610 2HB TYR 76 1HB TYR 76 -10.146 -8.173 -6.944 611 HD1 TYR 76 HD1 TYR 76 -8.518 -9.613 -10.010 612 HD2 TYR 76 HD2 TYR 76 -10.584 -10.373 -6.319 613 HE1 TYR 76 HE1 TYR 76 -8.484 -12.047 -10.492 614 HE2 TYR 76 HE2 TYR 76 -10.550 -12.806 -6.800 615 HH TYR 76 HH TYR 76 -8.611 -14.171 -9.233 616 H GLY 77 H GLY 77 -12.190 -6.055 -9.457 617 1HA GLY 77 2HA GLY 77 -14.225 -8.140 -8.863 618 2HA GLY 77 1HA GLY 77 -14.534 -6.405 -8.943 619 H LEU 78 H LEU 78 -12.538 -7.528 -11.464 620 HA LEU 78 HA LEU 78 -12.922 -7.617 -13.780 621 1HB LEU 78 2HB LEU 78 -14.541 -9.550 -12.494 622 2HB LEU 78 1HB LEU 78 -15.554 -8.802 -13.730 623 HG LEU 78 HG LEU 78 -13.027 -9.158 -14.929 624 1HD1 LEU 78 1HD1 LEU 78 -13.938 -11.608 -13.389 625 2HD1 LEU 78 2HD1 LEU 78 -12.424 -10.734 -13.160 626 3HD1 LEU 78 3HD1 LEU 78 -12.715 -11.618 -14.658 627 1HD2 LEU 78 1HD2 LEU 78 -14.273 -10.306 -16.524 628 2HD2 LEU 78 2HD2 LEU 78 -15.553 -9.425 -15.690 629 3HD2 LEU 78 3HD2 LEU 78 -15.261 -11.123 -15.314 630 H GLU 79 H GLU 79 -13.559 -5.147 -12.763 631 HA GLU 79 HA GLU 79 -16.102 -4.468 -14.180 632 1HB GLU 79 2HB GLU 79 -15.806 -4.125 -11.563 633 2HB GLU 79 1HB GLU 79 -14.943 -2.677 -12.079 634 1HG GLU 79 2HG GLU 79 -16.889 -1.633 -12.499 635 2HG GLU 79 1HG GLU 79 -17.353 -2.913 -13.621 636 H ASN 80 H ASN 80 -15.265 -1.578 -13.700 637 HA ASN 80 HA ASN 80 -12.948 -1.389 -15.547 638 1HB ASN 80 2HB ASN 80 -14.314 0.449 -16.772 639 2HB ASN 80 1HB ASN 80 -14.681 -1.236 -17.140 640 1HD2 ASN 80 1HD2 ASN 80 -16.479 -2.196 -15.598 641 2HD2 ASN 80 2HD2 ASN 80 -17.792 -1.172 -15.269 642 H VAL 81 H VAL 81 -11.570 -0.217 -14.290 643 HA VAL 81 HA VAL 81 -12.198 1.503 -12.174 644 HB VAL 81 HB VAL 81 -9.896 0.727 -12.776 645 1HG1 VAL 81 1HG1 VAL 81 -9.620 3.000 -14.683 646 2HG1 VAL 81 2HG1 VAL 81 -10.452 1.561 -15.272 647 3HG1 VAL 81 3HG1 VAL 81 -8.800 1.438 -14.668 648 1HG2 VAL 81 1HG2 VAL 81 -10.353 3.708 -12.464 649 2HG2 VAL 81 2HG2 VAL 81 -8.773 2.943 -12.295 650 3HG2 VAL 81 3HG2 VAL 81 -10.076 2.532 -11.180 651 HA PRO 82 HA PRO 82 -14.033 4.949 -14.244 652 1HB PRO 82 2HB PRO 82 -13.967 6.688 -12.115 653 2HB PRO 82 1HB PRO 82 -15.143 5.371 -12.269 654 1HG PRO 82 2HG PRO 82 -12.754 5.555 -10.495 655 2HG PRO 82 1HG PRO 82 -14.247 4.629 -10.274 656 1HD PRO 82 2HD PRO 82 -11.761 3.587 -11.139 657 2HD PRO 82 1HD PRO 82 -13.330 2.756 -11.225 658 HA PRO 83 HA PRO 83 -10.651 7.514 -15.449 659 1HB PRO 83 2HB PRO 83 -12.071 9.638 -16.460 660 2HB PRO 83 1HB PRO 83 -11.911 8.082 -17.291 661 1HG PRO 83 2HG PRO 83 -14.265 9.202 -15.844 662 2HG PRO 83 1HG PRO 83 -14.216 8.020 -17.162 663 1HD PRO 83 2HD PRO 83 -14.597 7.434 -14.415 664 2HD PRO 83 1HD PRO 83 -14.231 6.258 -15.695 665 H GLU 84 H GLU 84 -10.319 7.818 -12.952 666 HA GLU 84 HA GLU 84 -10.342 10.731 -12.431 667 1HB GLU 84 2HB GLU 84 -12.302 9.132 -11.299 668 2HB GLU 84 1HB GLU 84 -11.070 9.200 -10.039 669 1HG GLU 84 2HG GLU 84 -11.912 11.714 -11.460 670 2HG GLU 84 1HG GLU 84 -12.882 11.083 -10.128 671 H LEU 85 H LEU 85 -9.394 7.489 -11.310 672 HA LEU 85 HA LEU 85 -7.106 8.605 -9.827 673 1HB LEU 85 2HB LEU 85 -8.633 6.267 -9.619 674 2HB LEU 85 1HB LEU 85 -7.064 5.720 -10.212 675 HG LEU 85 HG LEU 85 -6.604 7.696 -8.201 676 1HD1 LEU 85 1HD1 LEU 85 -7.738 6.829 -6.295 677 2HD1 LEU 85 2HD1 LEU 85 -8.279 5.399 -7.175 678 3HD1 LEU 85 3HD1 LEU 85 -8.978 6.975 -7.542 679 1HD2 LEU 85 1HD2 LEU 85 -4.933 6.212 -7.914 680 2HD2 LEU 85 2HD2 LEU 85 -5.753 5.077 -8.988 681 3HD2 LEU 85 3HD2 LEU 85 -6.086 5.049 -7.256 682 H GLU 86 H GLU 86 -7.783 7.038 -12.893 683 HA GLU 86 HA GLU 86 -5.022 6.437 -13.537 684 1HB GLU 86 2HB GLU 86 -7.633 6.422 -14.963 685 2HB GLU 86 1HB GLU 86 -6.194 6.594 -15.967 686 1HG GLU 86 2HG GLU 86 -6.272 4.294 -15.856 687 2HG GLU 86 1HG GLU 86 -5.333 4.606 -14.396 688 H ALA 87 H ALA 87 -6.962 9.298 -13.609 689 HA ALA 87 HA ALA 87 -5.607 10.742 -15.675 690 1HB ALA 87 1HB ALA 87 -6.566 12.217 -13.268 691 2HB ALA 87 2HB ALA 87 -7.764 11.286 -14.167 692 3HB ALA 87 3HB ALA 87 -6.843 12.555 -14.975 693 H VAL 88 H VAL 88 -4.902 10.263 -12.240 694 HA VAL 88 HA VAL 88 -2.288 11.644 -12.699 695 HB VAL 88 HB VAL 88 -2.320 12.303 -10.335 696 1HG1 VAL 88 1HG1 VAL 88 -3.258 14.035 -11.550 697 2HG1 VAL 88 2HG1 VAL 88 -4.619 13.636 -10.502 698 3HG1 VAL 88 3HG1 VAL 88 -4.576 13.033 -12.159 699 1HG2 VAL 88 1HG2 VAL 88 -4.152 10.211 -10.090 700 2HG2 VAL 88 2HG2 VAL 88 -5.129 11.659 -9.851 701 3HG2 VAL 88 3HG2 VAL 88 -3.724 11.365 -8.827 702 H SER 89 H SER 89 -2.486 8.962 -13.300 703 HA SER 89 HA SER 89 -1.370 7.569 -10.906 704 1HB SER 89 2HB SER 89 -1.938 5.494 -12.009 705 2HB SER 89 1HB SER 89 -3.350 6.545 -12.089 706 HG SER 89 HG SER 89 -2.782 5.525 -14.106 707 H SER 90 H SER 90 0.784 7.101 -10.900 708 HA SER 90 HA SER 90 2.476 8.004 -13.064 709 1HB SER 90 2HB SER 90 2.947 6.500 -10.499 710 2HB SER 90 1HB SER 90 4.243 6.681 -11.677 711 HG SER 90 HG SER 90 4.485 8.614 -10.916 712 H GLU 91 H GLU 91 1.203 4.863 -12.060 713 HA GLU 91 HA GLU 91 1.861 3.772 -14.704 714 1HB GLU 91 2HB GLU 91 3.432 3.132 -12.284 715 2HB GLU 91 1HB GLU 91 2.869 1.728 -13.189 716 1HG GLU 91 2HG GLU 91 4.094 4.016 -14.688 717 2HG GLU 91 1HG GLU 91 5.152 2.893 -13.834 718 H VAL 92 H VAL 92 0.492 2.048 -15.225 719 HA VAL 92 HA VAL 92 -1.494 1.322 -13.109 720 HB VAL 92 HB VAL 92 -1.811 1.305 -16.128 721 1HG1 VAL 92 1HG1 VAL 92 -3.198 -0.404 -15.126 722 2HG1 VAL 92 2HG1 VAL 92 -4.236 0.967 -15.516 723 3HG1 VAL 92 3HG1 VAL 92 -3.719 0.698 -13.852 724 1HG2 VAL 92 1HG2 VAL 92 -1.691 3.545 -14.754 725 2HG2 VAL 92 2HG2 VAL 92 -3.303 3.079 -14.211 726 3HG2 VAL 92 3HG2 VAL 92 -2.986 3.320 -15.929 727 H VAL 93 H VAL 93 -0.615 -0.567 -12.281 728 HA VAL 93 HA VAL 93 0.357 -2.633 -14.173 729 HB VAL 93 HB VAL 93 1.291 -3.731 -12.258 730 1HG1 VAL 93 1HG1 VAL 93 2.684 -1.910 -12.796 731 2HG1 VAL 93 2HG1 VAL 93 2.413 -1.710 -11.065 732 3HG1 VAL 93 3HG1 VAL 93 1.512 -0.725 -12.218 733 1HG2 VAL 93 1HG2 VAL 93 0.778 -2.594 -9.947 734 2HG2 VAL 93 2HG2 VAL 93 -0.390 -3.730 -10.622 735 3HG2 VAL 93 3HG2 VAL 93 -0.663 -1.994 -10.765 736 H GLY 94 H GLY 94 -0.650 -4.660 -14.369 737 1HA GLY 94 2HA GLY 94 -3.476 -4.725 -13.503 738 2HA GLY 94 1HA GLY 94 -2.724 -5.827 -14.656 739 H TRP 95 H TRP 95 -3.403 -7.730 -13.601 740 HA TRP 95 HA TRP 95 -2.643 -8.109 -10.766 741 1HB TRP 95 2HB TRP 95 -4.500 -9.387 -12.669 742 2HB TRP 95 1HB TRP 95 -3.661 -10.517 -11.605 743 HD1 TRP 95 HD1 TRP 95 -6.121 -7.608 -11.563 744 HE1 TRP 95 HE1 TRP 95 -7.240 -7.494 -9.244 745 HE3 TRP 95 HE3 TRP 95 -3.343 -11.096 -9.072 746 HZ2 TRP 95 HZ2 TRP 95 -6.989 -8.721 -6.671 747 HZ3 TRP 95 HZ3 TRP 95 -3.802 -11.604 -6.690 748 HH2 TRP 95 HH2 TRP 95 -5.621 -10.421 -5.488 749 H ASN 96 H ASN 96 -0.837 -8.094 -13.363 750 HA ASN 96 HA ASN 96 0.381 -10.771 -13.152 751 1HB ASN 96 2HB ASN 96 1.490 -8.431 -14.704 752 2HB ASN 96 1HB ASN 96 1.701 -10.153 -15.021 753 1HD2 ASN 96 1HD2 ASN 96 0.690 -8.367 -17.034 754 2HD2 ASN 96 2HD2 ASN 96 -0.927 -8.781 -17.344 755 HA PRO 97 HA PRO 97 3.414 -9.539 -10.218 756 1HB PRO 97 2HB PRO 97 5.282 -11.485 -10.756 757 2HB PRO 97 1HB PRO 97 3.781 -11.788 -9.864 758 1HG PRO 97 2HG PRO 97 4.481 -12.527 -12.667 759 2HG PRO 97 1HG PRO 97 3.338 -13.300 -11.556 760 1HD PRO 97 2HD PRO 97 2.660 -11.562 -13.685 761 2HD PRO 97 1HD PRO 97 1.581 -12.074 -12.370 762 H HIS 98 H HIS 98 4.430 -10.117 -13.571 763 HA HIS 98 HA HIS 98 7.000 -8.874 -13.404 764 1HB HIS 98 2HB HIS 98 5.836 -10.263 -15.336 765 2HB HIS 98 1HB HIS 98 5.339 -8.665 -15.894 766 HD1 HIS 98 HD1 HIS 98 8.641 -9.409 -14.200 767 HD2 HIS 98 HD2 HIS 98 7.202 -8.410 -17.983 768 HE1 HIS 98 HE1 HIS 98 10.671 -8.928 -15.636 769 H CYS 99 H CYS 99 3.761 -7.589 -13.640 770 HA CYS 99 HA CYS 99 4.597 -4.915 -14.447 771 1HB CYS 99 2HB CYS 99 2.002 -5.971 -13.288 772 2HB CYS 99 1HB CYS 99 2.234 -4.313 -13.842 773 HG CYS 99 HG CYS 99 1.312 -6.198 -15.708 774 H ILE 100 H ILE 100 4.243 -6.631 -11.431 775 HA ILE 100 HA ILE 100 4.002 -4.343 -9.706 776 HB ILE 100 HB ILE 100 5.293 -7.001 -9.037 777 1HG1 ILE 100 2HG1 ILE 100 3.029 -7.214 -10.136 778 2HG1 ILE 100 1HG1 ILE 100 3.080 -7.810 -8.477 779 1HG2 ILE 100 1HG2 ILE 100 4.163 -4.694 -7.488 780 2HG2 ILE 100 2HG2 ILE 100 5.632 -5.625 -7.189 781 3HG2 ILE 100 3HG2 ILE 100 4.055 -6.318 -6.808 782 1HD1 ILE 100 1HD1 ILE 100 2.167 -5.652 -7.680 783 2HD1 ILE 100 2HD1 ILE 100 1.078 -6.423 -8.834 784 3HD1 ILE 100 3HD1 ILE 100 2.093 -5.076 -9.346 785 H ARG 101 H ARG 101 6.873 -6.387 -10.388 786 HA ARG 101 HA ARG 101 8.720 -4.585 -9.140 787 1HB ARG 101 2HB ARG 101 8.999 -7.088 -9.910 788 2HB ARG 101 1HB ARG 101 9.538 -6.358 -11.422 789 1HG ARG 101 2HG ARG 101 11.419 -5.411 -10.457 790 2HG ARG 101 1HG ARG 101 10.681 -5.321 -8.858 791 1HD ARG 101 2HD ARG 101 11.853 -7.184 -8.353 792 2HD ARG 101 1HD ARG 101 10.728 -8.049 -9.402 793 HE ARG 101 HE ARG 101 12.388 -8.021 -11.145 794 1HH1 ARG 101 1HH2 ARG 101 13.268 -5.319 -9.505 795 2HH1 ARG 101 2HH2 ARG 101 14.957 -5.685 -9.383 796 1HH2 ARG 101 2HH1 ARG 101 14.596 -8.959 -10.464 797 2HH2 ARG 101 1HH1 ARG 101 15.708 -7.746 -9.925 798 H ASP 102 H ASP 102 7.438 -4.809 -12.418 799 HA ASP 102 HA ASP 102 9.297 -3.030 -13.669 800 1HB ASP 102 2HB ASP 102 6.647 -4.174 -14.296 801 2HB ASP 102 1HB ASP 102 6.975 -2.617 -15.060 802 H ALA 103 H ALA 103 6.360 -2.462 -11.790 803 HA ALA 103 HA ALA 103 6.135 0.340 -12.440 804 1HB ALA 103 1HB ALA 103 4.997 0.073 -9.937 805 2HB ALA 103 2HB ALA 103 4.865 -1.558 -10.595 806 3HB ALA 103 3HB ALA 103 4.160 -0.197 -11.466 807 H LEU 104 H LEU 104 7.808 -1.455 -9.879 808 HA LEU 104 HA LEU 104 8.629 0.962 -8.474 809 1HB LEU 104 2HB LEU 104 9.704 -1.868 -8.287 810 2HB LEU 104 1HB LEU 104 10.028 -0.565 -7.144 811 HG LEU 104 HG LEU 104 7.189 -1.315 -7.779 812 1HD1 LEU 104 1HD1 LEU 104 8.119 -3.446 -7.192 813 2HD1 LEU 104 2HD1 LEU 104 7.335 -2.829 -5.737 814 3HD1 LEU 104 3HD1 LEU 104 9.089 -2.738 -5.901 815 1HD2 LEU 104 1HD2 LEU 104 8.078 -0.636 -5.045 816 2HD2 LEU 104 2HD2 LEU 104 6.717 -0.007 -5.973 817 3HD2 LEU 104 3HD2 LEU 104 8.336 0.641 -6.234 818 H GLU 105 H GLU 105 9.837 -0.893 -11.151 819 HA GLU 105 HA GLU 105 12.600 -0.243 -11.019 820 1HB GLU 105 2HB GLU 105 10.924 -1.545 -12.835 821 2HB GLU 105 1HB GLU 105 11.552 -0.168 -13.741 822 1HG GLU 105 2HG GLU 105 13.650 -1.022 -13.804 823 2HG GLU 105 1HG GLU 105 13.590 -1.517 -12.112 824 H ASP 106 H ASP 106 9.878 1.549 -12.474 825 HA ASP 106 HA ASP 106 11.429 3.694 -13.536 826 1HB ASP 106 2HB ASP 106 8.635 3.088 -13.142 827 2HB ASP 106 1HB ASP 106 8.953 4.759 -12.675 828 H ALA 107 H ALA 107 9.914 3.248 -10.345 829 HA ALA 107 HA ALA 107 10.803 5.841 -9.369 830 1HB ALA 107 1HB ALA 107 9.944 5.123 -7.232 831 2HB ALA 107 2HB ALA 107 9.979 3.430 -7.727 832 3HB ALA 107 3HB ALA 107 8.823 4.540 -8.464 833 H LEU 108 H LEU 108 12.308 2.819 -9.854 834 HA LEU 108 HA LEU 108 14.356 3.298 -7.764 835 1HB LEU 108 2HB LEU 108 13.386 0.992 -9.268 836 2HB LEU 108 1HB LEU 108 15.147 1.097 -9.288 837 HG LEU 108 HG LEU 108 15.116 1.362 -6.803 838 1HD1 LEU 108 1HD1 LEU 108 12.289 0.390 -6.765 839 2HD1 LEU 108 2HD1 LEU 108 12.562 2.111 -7.043 840 3HD1 LEU 108 3HD1 LEU 108 13.162 1.350 -5.570 841 1HD2 LEU 108 1HD2 LEU 108 13.590 -1.125 -7.080 842 2HD2 LEU 108 2HD2 LEU 108 15.277 -0.892 -6.622 843 3HD2 LEU 108 3HD2 LEU 108 14.825 -0.944 -8.326 844 H ASP 109 H ASP 109 13.784 4.164 -10.964 845 HA ASP 109 HA ASP 109 16.549 4.016 -11.906 846 1HB ASP 109 2HB ASP 109 14.103 4.259 -13.153 847 2HB ASP 109 1HB ASP 109 14.748 5.895 -13.278 848 H VAL 110 H VAL 110 14.395 6.853 -11.508 849 HA VAL 110 HA VAL 110 16.812 8.454 -10.838 850 HB VAL 110 HB VAL 110 15.216 10.402 -11.172 851 1HG1 VAL 110 1HG1 VAL 110 15.929 8.408 -13.305 852 2HG1 VAL 110 2HG1 VAL 110 16.605 10.010 -13.012 853 3HG1 VAL 110 3HG1 VAL 110 15.003 9.847 -13.730 854 1HG2 VAL 110 1HG2 VAL 110 13.283 8.453 -10.954 855 2HG2 VAL 110 2HG2 VAL 110 13.367 8.690 -12.699 856 3HG2 VAL 110 3HG2 VAL 110 13.017 10.056 -11.640 857 H ILE 111 HN ILE 111 13.802 7.275 -9.496 858 HA ILE 111 HA ILE 111 13.034 7.299 -7.276 859 HB ILE 111 HB ILE 111 15.698 8.564 -6.585 860 1HG1 ILE 111 2HG1 ILE 111 15.441 5.665 -6.229 861 2HG1 ILE 111 1HG1 ILE 111 15.366 6.155 -7.923 862 1HG2 ILE 111 1HG2 ILE 111 13.407 7.497 -5.106 863 2HG2 ILE 111 2HG2 ILE 111 14.737 8.507 -4.538 864 3HG2 ILE 111 3HG2 ILE 111 14.933 6.756 -4.624 865 1HD1 ILE 111 1HD1 ILE 111 17.692 5.781 -7.352 866 2HD1 ILE 111 2HD1 ILE 111 17.554 6.823 -5.935 867 3HD1 ILE 111 3HD1 ILE 111 17.447 7.516 -7.553 Start of MODEL 11 1 1H VAL 1 1H VAL 1 24.186 -8.605 -0.318 2 2H VAL 1 2H VAL 1 23.378 -9.722 -1.311 3 3H VAL 1 3H VAL 1 22.503 -8.781 -0.199 4 HA VAL 1 HA VAL 1 24.050 -7.186 -2.009 5 HB VAL 1 HB VAL 1 23.580 -8.987 -3.576 6 1HG1 VAL 1 1HG1 VAL 1 21.738 -10.008 -2.232 7 2HG1 VAL 1 2HG1 VAL 1 21.315 -9.820 -3.933 8 3HG1 VAL 1 3HG1 VAL 1 20.680 -8.690 -2.736 9 1HG2 VAL 1 1HG2 VAL 1 23.331 -6.860 -4.605 10 2HG2 VAL 1 2HG2 VAL 1 21.803 -6.550 -3.780 11 3HG2 VAL 1 3HG2 VAL 1 21.882 -7.748 -5.073 12 H THR 2 H THR 2 23.218 -5.209 -1.571 13 HA THR 2 HA THR 2 21.110 -4.604 0.116 14 HB THR 2 HB THR 2 21.129 -2.745 -2.131 15 HG1 THR 2 HG1 THR 2 23.616 -3.147 -0.876 16 1HG2 THR 2 1HG2 THR 2 20.506 -1.853 -0.067 17 2HG2 THR 2 2HG2 THR 2 22.192 -1.346 -0.188 18 3HG2 THR 2 3HG2 THR 2 21.758 -2.738 0.804 19 H ALA 3 H ALA 3 19.131 -5.603 -0.037 20 HA ALA 3 HA ALA 3 17.589 -5.128 -2.534 21 1HB ALA 3 1HB ALA 3 18.640 -7.474 -2.480 22 2HB ALA 3 2HB ALA 3 16.897 -7.393 -2.740 23 3HB ALA 3 3HB ALA 3 17.533 -7.813 -1.149 24 H GLU 4 H GLU 4 16.432 -3.553 -1.268 25 HA GLU 4 HA GLU 4 14.248 -4.731 0.298 26 1HB GLU 4 2HB GLU 4 16.509 -3.265 1.550 27 2HB GLU 4 1HB GLU 4 14.897 -2.784 2.075 28 1HG GLU 4 2HG GLU 4 15.106 -4.541 3.514 29 2HG GLU 4 1HG GLU 4 14.653 -5.502 2.107 30 H ILE 5 H ILE 5 12.418 -3.527 -0.061 31 HA ILE 5 HA ILE 5 12.806 -0.767 -1.154 32 HB ILE 5 HB ILE 5 10.795 -2.894 -1.936 33 1HG1 ILE 5 2HG1 ILE 5 12.887 -1.363 -3.517 34 2HG1 ILE 5 1HG1 ILE 5 13.044 -3.035 -2.978 35 1HG2 ILE 5 1HG2 ILE 5 9.998 -1.102 -3.550 36 2HG2 ILE 5 2HG2 ILE 5 10.929 0.059 -2.603 37 3HG2 ILE 5 3HG2 ILE 5 9.589 -0.815 -1.860 38 1HD1 ILE 5 1HD1 ILE 5 10.650 -3.188 -4.221 39 2HD1 ILE 5 2HD1 ILE 5 12.180 -3.473 -5.053 40 3HD1 ILE 5 3HD1 ILE 5 11.392 -1.899 -5.170 41 H ARG 6 H ARG 6 10.818 0.630 -0.820 42 HA ARG 6 HA ARG 6 9.388 -0.124 1.698 43 1HB ARG 6 2HB ARG 6 10.605 2.550 0.946 44 2HB ARG 6 1HB ARG 6 9.490 2.328 2.294 45 1HG ARG 6 2HG ARG 6 11.008 1.032 3.512 46 2HG ARG 6 1HG ARG 6 11.924 0.579 2.074 47 1HD ARG 6 2HD ARG 6 12.545 3.059 1.875 48 2HD ARG 6 1HD ARG 6 11.920 3.235 3.515 49 HE ARG 6 HE ARG 6 13.793 1.057 3.411 50 1HH1 ARG 6 2HH1 ARG 6 13.277 4.297 4.255 51 2HH1 ARG 6 1HH1 ARG 6 14.949 4.664 4.518 52 1HH2 ARG 6 1HH2 ARG 6 16.080 1.603 3.347 53 2HH2 ARG 6 2HH2 ARG 6 16.535 3.139 4.004 54 H LEU 7 H LEU 7 7.234 -0.205 1.308 55 HA LEU 7 HA LEU 7 6.014 1.854 -0.447 56 1HB LEU 7 2HB LEU 7 4.792 0.190 -1.745 57 2HB LEU 7 1HB LEU 7 6.520 -0.136 -1.876 58 HG LEU 7 HG LEU 7 5.756 -1.550 0.397 59 1HD1 LEU 7 1HD1 LEU 7 3.555 -1.997 0.241 60 2HD1 LEU 7 2HD1 LEU 7 3.877 -2.838 -1.275 61 3HD1 LEU 7 3HD1 LEU 7 3.449 -1.128 -1.290 62 1HD2 LEU 7 1HD2 LEU 7 7.335 -2.266 -1.375 63 2HD2 LEU 7 2HD2 LEU 7 5.977 -2.527 -2.470 64 3HD2 LEU 7 3HD2 LEU 7 6.150 -3.525 -1.025 65 H TYR 8 H TYR 8 3.530 1.620 -0.322 66 HA TYR 8 HA TYR 8 2.671 0.481 2.294 67 1HB TYR 8 2HB TYR 8 3.049 2.816 2.783 68 2HB TYR 8 1HB TYR 8 2.203 3.312 1.316 69 HD1 TYR 8 HD1 TYR 8 -0.010 4.000 1.536 70 HD2 TYR 8 HD2 TYR 8 1.597 1.177 4.350 71 HE1 TYR 8 HE1 TYR 8 -2.156 4.017 2.779 72 HE2 TYR 8 HE2 TYR 8 -0.550 1.193 5.593 73 HH TYR 8 HH TYR 8 -3.041 3.508 4.926 74 H ILE 9 H ILE 9 0.612 -0.411 2.211 75 HA ILE 9 HA ILE 9 -0.869 -0.061 -0.367 76 HB ILE 9 HB ILE 9 -0.766 -2.548 1.366 77 1HG1 ILE 9 2HG1 ILE 9 0.326 -2.741 -1.332 78 2HG1 ILE 9 1HG1 ILE 9 1.202 -1.560 -0.356 79 1HG2 ILE 9 1HG2 ILE 9 -2.806 -1.931 -0.176 80 2HG2 ILE 9 2HG2 ILE 9 -2.141 -3.564 -0.226 81 3HG2 ILE 9 3HG2 ILE 9 -1.717 -2.400 -1.482 82 1HD1 ILE 9 1HD1 ILE 9 1.970 -3.143 1.119 83 2HD1 ILE 9 2HD1 ILE 9 1.772 -4.190 -0.285 84 3HD1 ILE 9 3HD1 ILE 9 0.525 -4.142 0.961 85 H THR 10 H THR 10 -3.147 0.063 -0.211 86 HA THR 10 HA THR 10 -4.189 1.258 2.179 87 HB THR 10 HB THR 10 -6.444 0.758 0.994 88 HG1 THR 10 HG1 THR 10 -6.339 -0.204 -0.891 89 1HG2 THR 10 1HG2 THR 10 -4.342 2.315 -0.534 90 2HG2 THR 10 2HG2 THR 10 -5.162 2.915 0.908 91 3HG2 THR 10 3HG2 THR 10 -6.084 2.585 -0.559 92 H GLU 11 H GLU 11 -4.744 0.224 4.031 93 HA GLU 11 HA GLU 11 -4.805 -2.655 4.216 94 1HB GLU 11 2HB GLU 11 -4.308 -0.871 6.061 95 2HB GLU 11 1HB GLU 11 -6.061 -0.846 6.268 96 1HG GLU 11 2HG GLU 11 -4.939 -3.558 6.098 97 2HG GLU 11 1HG GLU 11 -4.356 -2.639 7.486 98 H GLY 12 H GLY 12 -6.794 -3.790 5.188 99 1HA GLY 12 2HA GLY 12 -9.426 -2.781 4.870 100 2HA GLY 12 1HA GLY 12 -8.982 -3.595 3.368 101 H GLU 13 H GLU 13 -10.822 -5.055 4.094 102 HA GLU 13 HA GLU 13 -9.660 -7.321 5.610 103 1HB GLU 13 2HB GLU 13 -11.363 -5.573 6.892 104 2HB GLU 13 1HB GLU 13 -12.472 -6.817 6.310 105 1HG GLU 13 2HG GLU 13 -11.550 -7.335 8.574 106 2HG GLU 13 1HG GLU 13 -11.144 -8.562 7.373 107 H VAL 14 H VAL 14 -10.222 -6.940 2.797 108 HA VAL 14 HA VAL 14 -12.552 -8.772 2.418 109 HB VAL 14 HB VAL 14 -12.106 -7.985 -0.077 110 1HG1 VAL 14 1HG1 VAL 14 -14.200 -7.456 0.788 111 2HG1 VAL 14 2HG1 VAL 14 -13.506 -5.845 0.600 112 3HG1 VAL 14 3HG1 VAL 14 -13.524 -6.618 2.185 113 1HG2 VAL 14 1HG2 VAL 14 -10.028 -6.699 0.890 114 2HG2 VAL 14 2HG2 VAL 14 -11.227 -5.504 1.384 115 3HG2 VAL 14 3HG2 VAL 14 -11.039 -5.912 -0.322 116 H GLU 15 H GLU 15 -12.251 -10.426 0.667 117 HA GLU 15 HA GLU 15 -9.826 -11.920 1.104 118 1HB GLU 15 2HB GLU 15 -11.931 -13.052 0.574 119 2HB GLU 15 1HB GLU 15 -11.989 -12.249 -0.996 120 1HG GLU 15 2HG GLU 15 -10.945 -14.140 -1.726 121 2HG GLU 15 1HG GLU 15 -9.499 -13.357 -1.087 122 H ASP 16 H ASP 16 -10.891 -9.687 -1.408 123 HA ASP 16 HA ASP 16 -8.953 -10.306 -3.391 124 1HB ASP 16 2HB ASP 16 -10.909 -8.729 -3.654 125 2HB ASP 16 1HB ASP 16 -9.995 -7.539 -2.727 126 H TYR 17 H TYR 17 -8.767 -8.246 -0.516 127 HA TYR 17 HA TYR 17 -6.194 -7.117 -1.058 128 1HB TYR 17 2HB TYR 17 -7.788 -6.288 0.682 129 2HB TYR 17 1HB TYR 17 -7.433 -7.724 1.642 130 HD1 TYR 17 HD1 TYR 17 -5.687 -4.901 -0.109 131 HD2 TYR 17 HD2 TYR 17 -5.680 -7.663 3.183 132 HE1 TYR 17 HE1 TYR 17 -3.678 -3.785 0.823 133 HE2 TYR 17 HE2 TYR 17 -3.669 -6.547 4.115 134 HH TYR 17 HH TYR 17 -2.033 -5.064 3.695 135 H ARG 18 H ARG 18 -7.153 -10.002 0.825 136 HA ARG 18 HA ARG 18 -4.472 -10.745 1.539 137 1HB ARG 18 2HB ARG 18 -6.376 -11.652 2.758 138 2HB ARG 18 1HB ARG 18 -6.995 -12.409 1.291 139 1HG ARG 18 2HG ARG 18 -5.798 -14.240 1.835 140 2HG ARG 18 1HG ARG 18 -4.344 -13.303 1.495 141 1HD ARG 18 2HD ARG 18 -5.328 -12.569 4.090 142 2HD ARG 18 1HD ARG 18 -5.202 -14.326 4.003 143 HE ARG 18 HE ARG 18 -2.951 -12.416 3.740 144 1HH1 ARG 18 2HH1 ARG 18 -3.557 -15.040 5.453 145 2HH1 ARG 18 1HH1 ARG 18 -2.299 -16.054 4.826 146 1HH2 ARG 18 1HH2 ARG 18 -1.592 -13.972 2.146 147 2HH2 ARG 18 2HH2 ARG 18 -1.188 -15.450 2.953 148 H VAL 19 H VAL 19 -6.385 -11.213 -1.349 149 HA VAL 19 HA VAL 19 -4.836 -13.396 -2.431 150 HB VAL 19 HB VAL 19 -6.491 -11.299 -3.869 151 1HG1 VAL 19 1HG1 VAL 19 -6.636 -13.209 -5.573 152 2HG1 VAL 19 2HG1 VAL 19 -5.284 -13.940 -4.710 153 3HG1 VAL 19 3HG1 VAL 19 -5.091 -12.364 -5.478 154 1HG2 VAL 19 1HG2 VAL 19 -8.349 -12.521 -3.364 155 2HG2 VAL 19 2HG2 VAL 19 -7.373 -13.121 -2.024 156 3HG2 VAL 19 3HG2 VAL 19 -7.495 -14.055 -3.515 157 H PHE 20 H PHE 20 -4.830 -9.891 -3.208 158 HA PHE 20 HA PHE 20 -2.596 -9.946 -4.938 159 1HB PHE 20 2HB PHE 20 -4.045 -7.958 -4.640 160 2HB PHE 20 1HB PHE 20 -3.389 -7.735 -3.017 161 HD1 PHE 20 HD1 PHE 20 -2.306 -5.611 -3.328 162 HD2 PHE 20 HD2 PHE 20 -1.458 -8.896 -5.968 163 HE1 PHE 20 HE1 PHE 20 -0.384 -4.358 -4.272 164 HE2 PHE 20 HE2 PHE 20 0.464 -7.643 -6.909 165 HZ PHE 20 HZ PHE 20 1.001 -5.374 -6.063 166 H LEU 21 H LEU 21 -2.694 -9.430 -1.401 167 HA LEU 21 HA LEU 21 0.087 -9.086 -1.001 168 1HB LEU 21 2HB LEU 21 -1.906 -8.935 0.687 169 2HB LEU 21 1HB LEU 21 -1.595 -10.653 0.944 170 HG LEU 21 HG LEU 21 0.853 -10.006 1.314 171 1HD1 LEU 21 1HD1 LEU 21 -0.478 -7.315 1.165 172 2HD1 LEU 21 2HD1 LEU 21 1.065 -7.830 0.484 173 3HD1 LEU 21 3HD1 LEU 21 0.919 -7.542 2.218 174 1HD2 LEU 21 1HD2 LEU 21 -1.368 -10.060 3.040 175 2HD2 LEU 21 2HD2 LEU 21 -0.457 -8.624 3.506 176 3HD2 LEU 21 3HD2 LEU 21 0.328 -10.203 3.500 177 H GLU 22 H GLU 22 -1.845 -12.039 -1.324 178 HA GLU 22 HA GLU 22 0.235 -13.887 -0.646 179 1HB GLU 22 2HB GLU 22 -2.014 -14.709 -0.724 180 2HB GLU 22 1HB GLU 22 -2.236 -14.137 -2.377 181 1HG GLU 22 2HG GLU 22 0.062 -15.931 -2.104 182 2HG GLU 22 1HG GLU 22 -1.460 -16.699 -1.653 183 H ARG 23 H ARG 23 -0.661 -12.284 -3.670 184 HA ARG 23 HA ARG 23 1.183 -13.807 -5.310 185 1HB ARG 23 2HB ARG 23 0.045 -11.048 -5.850 186 2HB ARG 23 1HB ARG 23 0.685 -12.182 -7.039 187 1HG ARG 23 2HG ARG 23 -1.229 -13.682 -5.704 188 2HG ARG 23 1HG ARG 23 -1.968 -12.084 -5.807 189 1HD ARG 23 2HD ARG 23 -1.017 -13.860 -8.053 190 2HD ARG 23 1HD ARG 23 -2.604 -13.125 -7.829 191 HE ARG 23 HE ARG 23 -0.957 -10.937 -8.070 192 1HH1 ARG 23 2HH1 ARG 23 -1.841 -13.693 -9.919 193 2HH1 ARG 23 1HH1 ARG 23 -1.234 -13.060 -11.413 194 1HH2 ARG 23 1HH2 ARG 23 0.022 -10.163 -9.980 195 2HH2 ARG 23 2HH2 ARG 23 -0.178 -11.062 -11.447 196 H LEU 24 H LEU 24 1.411 -10.930 -3.325 197 HA LEU 24 HA LEU 24 3.913 -9.986 -4.443 198 1HB LEU 24 2HB LEU 24 2.177 -9.319 -2.140 199 2HB LEU 24 1HB LEU 24 3.892 -8.983 -1.904 200 HG LEU 24 HG LEU 24 2.935 -8.167 -4.549 201 1HD1 LEU 24 1HD1 LEU 24 1.789 -6.815 -2.084 202 2HD1 LEU 24 2HD1 LEU 24 0.864 -7.748 -3.261 203 3HD1 LEU 24 3HD1 LEU 24 1.632 -6.236 -3.742 204 1HD2 LEU 24 1HD2 LEU 24 3.977 -5.973 -3.580 205 2HD2 LEU 24 2HD2 LEU 24 5.038 -7.347 -3.888 206 3HD2 LEU 24 3HD2 LEU 24 4.494 -7.004 -2.247 207 H GLU 25 H GLU 25 3.015 -12.300 -1.962 208 HA GLU 25 HA GLU 25 5.669 -12.493 -0.801 209 1HB GLU 25 2HB GLU 25 3.293 -13.245 0.126 210 2HB GLU 25 1HB GLU 25 3.720 -14.762 -0.667 211 1HG GLU 25 2HG GLU 25 6.038 -13.898 0.713 212 2HG GLU 25 1HG GLU 25 4.689 -13.709 1.832 213 H GLN 26 H GLN 26 3.851 -14.336 -3.242 214 HA GLN 26 HA GLN 26 5.708 -16.434 -3.638 215 1HB GLN 26 2HB GLN 26 3.409 -15.374 -5.004 216 2HB GLN 26 1HB GLN 26 4.674 -15.717 -6.184 217 1HG GLN 26 2HG GLN 26 4.301 -17.926 -5.996 218 2HG GLN 26 1HG GLN 26 4.575 -17.851 -4.255 219 1HE2 GLN 26 1HE2 GLN 26 2.734 -17.885 -2.873 220 2HE2 GLN 26 2HE2 GLN 26 1.141 -17.991 -3.447 221 H SER 27 H SER 27 5.992 -13.078 -4.344 222 HA SER 27 HA SER 27 7.777 -13.132 -6.557 223 1HB SER 27 2HB SER 27 6.698 -11.162 -4.946 224 2HB SER 27 1HB SER 27 8.409 -11.099 -4.533 225 HG SER 27 HG SER 27 8.635 -11.224 -6.974 226 H GLY 28 H GLY 28 8.697 -12.667 -3.122 227 1HA GLY 28 2HA GLY 28 10.389 -14.283 -2.187 228 2HA GLY 28 1HA GLY 28 11.212 -14.168 -3.743 229 H LEU 29 H LEU 29 10.299 -11.157 -3.555 230 HA LEU 29 HA LEU 29 12.852 -10.226 -2.493 231 1HB LEU 29 2HB LEU 29 10.508 -9.017 -3.873 232 2HB LEU 29 1HB LEU 29 11.468 -7.942 -2.855 233 HG LEU 29 HG LEU 29 13.295 -9.541 -4.334 234 1HD1 LEU 29 1HD1 LEU 29 12.046 -8.132 -6.491 235 2HD1 LEU 29 2HD1 LEU 29 10.840 -9.182 -5.748 236 3HD1 LEU 29 3HD1 LEU 29 12.352 -9.863 -6.351 237 1HD2 LEU 29 1HD2 LEU 29 12.451 -6.642 -4.659 238 2HD2 LEU 29 2HD2 LEU 29 13.964 -7.343 -5.235 239 3HD2 LEU 29 3HD2 LEU 29 13.645 -7.234 -3.504 240 H GLU 30 H GLU 30 12.757 -8.275 -0.905 241 HA GLU 30 HA GLU 30 10.744 -8.859 1.229 242 1HB GLU 30 2HB GLU 30 13.710 -8.305 1.505 243 2HB GLU 30 1HB GLU 30 12.584 -8.256 2.862 244 1HG GLU 30 2HG GLU 30 12.209 -10.544 2.817 245 2HG GLU 30 1HG GLU 30 12.582 -10.675 1.098 246 H TRP 31 H TRP 31 9.459 -7.090 1.387 247 HA TRP 31 HA TRP 31 10.772 -4.407 1.242 248 1HB TRP 31 2HB TRP 31 8.604 -3.578 0.256 249 2HB TRP 31 1HB TRP 31 9.493 -4.680 -0.793 250 HD1 TRP 31 HD1 TRP 31 8.465 -7.040 -1.273 251 HE1 TRP 31 HE1 TRP 31 6.146 -8.074 -0.825 252 HE3 TRP 31 HE3 TRP 31 6.574 -3.585 1.981 253 HZ2 TRP 31 HZ2 TRP 31 3.798 -7.510 0.712 254 HZ3 TRP 31 HZ3 TRP 31 4.296 -3.857 2.920 255 HH2 TRP 31 HH2 TRP 31 2.907 -5.814 2.291 256 H ARG 32 H ARG 32 9.759 -2.773 2.592 257 HA ARG 32 HA ARG 32 8.129 -3.964 4.801 258 1HB ARG 32 2HB ARG 32 9.680 -1.437 5.201 259 2HB ARG 32 1HB ARG 32 9.305 -2.717 6.356 260 1HG ARG 32 2HG ARG 32 11.205 -3.091 4.029 261 2HG ARG 32 1HG ARG 32 11.734 -2.614 5.641 262 1HD ARG 32 2HD ARG 32 10.571 -4.674 6.535 263 2HD ARG 32 1HD ARG 32 10.321 -5.177 4.863 264 HE ARG 32 HE ARG 32 13.090 -4.581 5.233 265 1HH1 ARG 32 1HH2 ARG 32 10.717 -7.013 5.270 266 2HH1 ARG 32 2HH2 ARG 32 11.775 -8.254 5.855 267 1HH2 ARG 32 2HH1 ARG 32 14.444 -6.104 6.373 268 2HH2 ARG 32 1HH1 ARG 32 13.884 -7.739 6.479 269 HA PRO 33 HA PRO 33 5.023 -1.044 3.745 270 1HB PRO 33 2HB PRO 33 3.653 -1.065 6.129 271 2HB PRO 33 1HB PRO 33 3.572 -2.376 4.940 272 1HG PRO 33 2HG PRO 33 5.006 -2.300 7.552 273 2HG PRO 33 1HG PRO 33 4.379 -3.693 6.657 274 1HD PRO 33 2HD PRO 33 7.087 -2.863 6.759 275 2HD PRO 33 1HD PRO 33 6.397 -4.047 5.627 276 H ALA 34 H ALA 34 4.679 1.184 3.941 277 HA ALA 34 HA ALA 34 5.879 2.577 6.287 278 1HB ALA 34 1HB ALA 34 7.580 3.210 4.911 279 2HB ALA 34 2HB ALA 34 6.395 4.333 4.244 280 3HB ALA 34 3HB ALA 34 6.684 2.783 3.453 281 H THR 35 H THR 35 5.306 5.179 5.518 282 HA THR 35 HA THR 35 2.398 5.215 5.836 283 HB THR 35 HB THR 35 3.054 7.823 5.500 284 HG1 THR 35 HG1 THR 35 5.135 8.096 6.353 285 1HG2 THR 35 1HG2 THR 35 2.106 7.445 7.541 286 2HG2 THR 35 2HG2 THR 35 3.780 7.499 8.094 287 3HG2 THR 35 3HG2 THR 35 3.001 5.946 7.791 288 HA PRO 36 HA PRO 36 1.308 5.970 1.657 289 1HB PRO 36 2HB PRO 36 -0.768 7.747 1.967 290 2HB PRO 36 1HB PRO 36 -0.893 6.018 2.337 291 1HG PRO 36 2HG PRO 36 -0.680 8.329 4.213 292 2HG PRO 36 1HG PRO 36 -1.418 6.739 4.470 293 1HD PRO 36 2HD PRO 36 1.120 7.556 5.416 294 2HD PRO 36 1HD PRO 36 0.515 5.886 5.362 295 H GLU 37 H GLU 37 2.698 8.401 3.528 296 HA GLU 37 HA GLU 37 2.822 10.254 1.180 297 1HB GLU 37 2HB GLU 37 1.695 11.338 3.039 298 2HB GLU 37 1HB GLU 37 2.982 10.863 4.146 299 1HG GLU 37 2HG GLU 37 4.591 12.195 2.755 300 2HG GLU 37 1HG GLU 37 3.220 12.771 1.805 301 H ASP 38 H ASP 38 4.622 8.745 3.831 302 HA ASP 38 HA ASP 38 7.167 9.676 2.585 303 1HB ASP 38 2HB ASP 38 6.371 9.587 5.241 304 2HB ASP 38 1HB ASP 38 7.375 8.145 5.077 305 H ALA 39 H ALA 39 5.518 7.551 1.423 306 HA ALA 39 HA ALA 39 7.154 5.124 1.975 307 1HB ALA 39 1HB ALA 39 4.422 5.626 0.898 308 2HB ALA 39 2HB ALA 39 4.984 4.360 1.990 309 3HB ALA 39 3HB ALA 39 5.291 4.232 0.258 310 H ASP 40 H ASP 40 8.383 4.167 0.342 311 HA ASP 40 HA ASP 40 9.336 5.868 -1.771 312 1HB ASP 40 2HB ASP 40 10.035 3.343 -0.641 313 2HB ASP 40 1HB ASP 40 9.855 3.115 -2.379 314 H ALA 41 H ALA 41 6.916 3.303 -1.612 315 HA ALA 41 HA ALA 41 5.986 4.139 -4.315 316 1HB ALA 41 1HB ALA 41 7.359 1.737 -3.859 317 2HB ALA 41 2HB ALA 41 6.387 2.137 -5.276 318 3HB ALA 41 3HB ALA 41 5.657 1.276 -3.921 319 H VAL 42 H VAL 42 3.922 4.804 -3.971 320 HA VAL 42 HA VAL 42 2.373 3.648 -1.735 321 HB VAL 42 HB VAL 42 1.791 5.914 -3.664 322 1HG1 VAL 42 1HG1 VAL 42 -0.279 4.742 -2.952 323 2HG1 VAL 42 2HG1 VAL 42 -0.177 6.362 -2.263 324 3HG1 VAL 42 3HG1 VAL 42 0.195 4.955 -1.267 325 1HG2 VAL 42 1HG2 VAL 42 2.090 7.309 -1.657 326 2HG2 VAL 42 2HG2 VAL 42 3.540 6.350 -1.958 327 3HG2 VAL 42 3HG2 VAL 42 2.411 5.868 -0.692 328 H ILE 43 H ILE 43 1.640 1.623 -2.361 329 HA ILE 43 HA ILE 43 0.413 1.306 -5.039 330 HB ILE 43 HB ILE 43 1.013 -0.643 -2.797 331 1HG1 ILE 43 2HG1 ILE 43 2.027 -0.782 -5.623 332 2HG1 ILE 43 1HG1 ILE 43 2.780 0.344 -4.491 333 1HG2 ILE 43 1HG2 ILE 43 0.359 -2.079 -5.102 334 2HG2 ILE 43 2HG2 ILE 43 -0.881 -0.827 -5.007 335 3HG2 ILE 43 3HG2 ILE 43 -0.634 -1.930 -3.652 336 1HD1 ILE 43 1HD1 ILE 43 2.375 -2.264 -3.268 337 2HD1 ILE 43 2HD1 ILE 43 3.861 -1.326 -3.429 338 3HD1 ILE 43 3HD1 ILE 43 3.342 -2.390 -4.737 339 H VAL 44 H VAL 44 -1.586 2.328 -4.976 340 HA VAL 44 HA VAL 44 -3.369 1.887 -2.659 341 HB VAL 44 HB VAL 44 -3.933 3.411 -5.217 342 1HG1 VAL 44 1HG1 VAL 44 -5.397 4.657 -3.419 343 2HG1 VAL 44 2HG1 VAL 44 -5.238 3.145 -2.526 344 3HG1 VAL 44 3HG1 VAL 44 -5.979 3.150 -4.127 345 1HG2 VAL 44 1HG2 VAL 44 -2.386 4.897 -4.516 346 2HG2 VAL 44 2HG2 VAL 44 -2.128 4.003 -3.018 347 3HG2 VAL 44 3HG2 VAL 44 -3.416 5.203 -3.118 348 H LEU 45 H LEU 45 -5.094 0.485 -2.690 349 HA LEU 45 HA LEU 45 -5.353 -1.280 -5.045 350 1HB LEU 45 2HB LEU 45 -5.883 -1.478 -2.188 351 2HB LEU 45 1HB LEU 45 -7.262 -2.032 -3.139 352 HG LEU 45 HG LEU 45 -5.586 -3.842 -2.646 353 1HD1 LEU 45 1HD1 LEU 45 -5.641 -4.767 -4.868 354 2HD1 LEU 45 2HD1 LEU 45 -5.755 -3.165 -5.594 355 3HD1 LEU 45 3HD1 LEU 45 -7.112 -3.812 -4.672 356 1HD2 LEU 45 1HD2 LEU 45 -3.784 -2.660 -4.714 357 2HD2 LEU 45 2HD2 LEU 45 -3.393 -3.713 -3.356 358 3HD2 LEU 45 3HD2 LEU 45 -3.693 -1.996 -3.082 359 H ALA 46 H ALA 46 -6.903 -0.927 -6.567 360 HA ALA 46 HA ALA 46 -9.013 1.073 -5.980 361 1HB ALA 46 1HB ALA 46 -7.861 -0.136 -8.474 362 2HB ALA 46 2HB ALA 46 -8.087 1.563 -8.062 363 3HB ALA 46 3HB ALA 46 -9.472 0.577 -8.530 364 H GLY 47 H GLY 47 -8.685 -2.191 -5.621 365 1HA GLY 47 2HA GLY 47 -11.139 -3.169 -6.769 366 2HA GLY 47 1HA GLY 47 -10.217 -3.969 -5.495 367 H LEU 48 H LEU 48 -10.304 -1.677 -3.682 368 HA LEU 48 HA LEU 48 -12.875 -2.231 -2.444 369 1HB LEU 48 2HB LEU 48 -10.542 -0.442 -1.792 370 2HB LEU 48 1HB LEU 48 -12.050 -0.308 -0.888 371 HG LEU 48 HG LEU 48 -11.400 -3.083 -1.125 372 1HD1 LEU 48 1HD1 LEU 48 -9.237 -2.015 0.506 373 2HD1 LEU 48 2HD1 LEU 48 -9.070 -1.532 -1.182 374 3HD1 LEU 48 3HD1 LEU 48 -9.178 -3.242 -0.760 375 1HD2 LEU 48 1HD2 LEU 48 -12.087 -3.019 1.039 376 2HD2 LEU 48 2HD2 LEU 48 -12.450 -1.320 0.730 377 3HD2 LEU 48 3HD2 LEU 48 -10.911 -1.775 1.462 378 H TRP 49 H TRP 49 -11.574 1.041 -2.881 379 HA TRP 49 HA TRP 49 -12.701 3.018 -3.481 380 1HB TRP 49 2HB TRP 49 -12.630 1.278 -5.636 381 2HB TRP 49 1HB TRP 49 -14.327 1.754 -5.557 382 HD1 TRP 49 HD1 TRP 49 -14.403 4.643 -4.872 383 HE1 TRP 49 HE1 TRP 49 -13.269 6.478 -6.283 384 HE3 TRP 49 HE3 TRP 49 -10.949 1.826 -7.367 385 HZ2 TRP 49 HZ2 TRP 49 -11.172 6.718 -8.217 386 HZ3 TRP 49 HZ3 TRP 49 -9.397 2.881 -8.986 387 HH2 TRP 49 HH2 TRP 49 -9.504 5.322 -9.415 388 H GLY 50 H GLY 50 -14.091 1.021 -1.620 389 1HA GLY 50 2HA GLY 50 -16.876 2.033 -2.050 390 2HA GLY 50 1HA GLY 50 -16.523 0.472 -1.307 391 H THR 51 H THR 51 -15.368 0.518 0.788 392 HA THR 51 HA THR 51 -16.360 2.740 2.454 393 HB THR 51 HB THR 51 -16.618 0.406 3.228 394 HG1 THR 51 HG1 THR 51 -15.390 0.757 5.266 395 1HG2 THR 51 1HG2 THR 51 -14.806 -0.787 2.367 396 2HG2 THR 51 2HG2 THR 51 -14.371 -0.633 4.069 397 3HG2 THR 51 3HG2 THR 51 -13.638 0.434 2.871 398 H ARG 52 H ARG 52 -13.362 1.551 1.124 399 HA ARG 52 HA ARG 52 -11.765 3.374 2.825 400 1HB ARG 52 2HB ARG 52 -11.254 0.967 1.280 401 2HB ARG 52 1HB ARG 52 -10.098 2.237 0.877 402 1HG ARG 52 2HG ARG 52 -9.013 1.439 2.728 403 2HG ARG 52 1HG ARG 52 -10.143 2.500 3.570 404 1HD ARG 52 2HD ARG 52 -11.660 0.240 3.251 405 2HD ARG 52 1HD ARG 52 -10.052 -0.446 3.473 406 HE ARG 52 HE ARG 52 -11.548 0.411 5.610 407 1HH1 ARG 52 1HH2 ARG 52 -8.664 -0.342 5.917 408 2HH1 ARG 52 2HH2 ARG 52 -7.974 1.112 6.557 409 1HH2 ARG 52 2HH1 ARG 52 -10.665 3.102 5.649 410 2HH2 ARG 52 1HH1 ARG 52 -9.108 3.061 6.406 411 H ARG 53 H ARG 53 -13.673 4.516 0.910 412 HA ARG 53 HA ARG 53 -12.408 5.381 -1.490 413 1HB ARG 53 2HB ARG 53 -14.865 5.664 -0.820 414 2HB ARG 53 1HB ARG 53 -14.341 7.063 0.118 415 1HG ARG 53 2HG ARG 53 -13.160 7.787 -2.103 416 2HG ARG 53 1HG ARG 53 -14.288 6.663 -2.862 417 1HD ARG 53 2HD ARG 53 -16.163 7.861 -1.690 418 2HD ARG 53 1HD ARG 53 -14.988 9.054 -1.137 419 HE ARG 53 HE ARG 53 -14.537 9.201 -3.770 420 1HH1 ARG 53 2HH1 ARG 53 -16.987 7.790 -4.550 421 2HH1 ARG 53 1HH1 ARG 53 -18.166 9.055 -4.639 422 1HH2 ARG 53 1HH2 ARG 53 -16.274 11.306 -2.800 423 2HH2 ARG 53 2HH2 ARG 53 -17.762 11.047 -3.648 424 H ASP 54 H ASP 54 -12.465 6.832 1.765 425 HA ASP 54 HA ASP 54 -10.850 9.112 1.021 426 1HB ASP 54 2HB ASP 54 -11.130 7.887 3.778 427 2HB ASP 54 1HB ASP 54 -10.704 9.554 3.389 428 H GLU 55 H GLU 55 -10.159 5.808 1.773 429 HA GLU 55 HA GLU 55 -7.415 6.200 2.613 430 1HB GLU 55 2HB GLU 55 -9.223 3.977 2.193 431 2HB GLU 55 1HB GLU 55 -7.648 3.633 1.477 432 1HG GLU 55 2HG GLU 55 -7.464 4.910 4.113 433 2HG GLU 55 1HG GLU 55 -8.273 3.343 4.153 434 H ILE 56 H ILE 56 -8.966 5.362 -0.489 435 HA ILE 56 HA ILE 56 -6.440 5.226 -1.916 436 HB ILE 56 HB ILE 56 -9.331 5.381 -2.786 437 1HG1 ILE 56 2HG1 ILE 56 -8.132 3.133 -3.854 438 2HG1 ILE 56 1HG1 ILE 56 -7.312 3.299 -2.301 439 1HG2 ILE 56 1HG2 ILE 56 -6.832 5.755 -4.370 440 2HG2 ILE 56 2HG2 ILE 56 -8.448 6.402 -4.653 441 3HG2 ILE 56 3HG2 ILE 56 -8.083 4.728 -5.072 442 1HD1 ILE 56 1HD1 ILE 56 -9.411 3.297 -1.109 443 2HD1 ILE 56 2HD1 ILE 56 -9.427 1.921 -2.212 444 3HD1 ILE 56 3HD1 ILE 56 -10.324 3.385 -2.616 445 H LEU 57 H LEU 57 -9.129 7.597 -2.068 446 HA LEU 57 HA LEU 57 -7.601 9.535 -3.536 447 1HB LEU 57 2HB LEU 57 -10.241 9.351 -2.329 448 2HB LEU 57 1HB LEU 57 -9.533 10.946 -2.073 449 HG LEU 57 HG LEU 57 -8.910 10.829 -4.596 450 1HD1 LEU 57 1HD1 LEU 57 -11.217 8.862 -4.543 451 2HD1 LEU 57 2HD1 LEU 57 -9.531 8.382 -4.741 452 3HD1 LEU 57 3HD1 LEU 57 -10.305 9.402 -5.954 453 1HD2 LEU 57 1HD2 LEU 57 -11.867 10.990 -3.986 454 2HD2 LEU 57 2HD2 LEU 57 -10.938 11.940 -5.147 455 3HD2 LEU 57 3HD2 LEU 57 -10.737 12.219 -3.417 456 H GLY 58 H GLY 58 -7.692 8.666 -0.188 457 1HA GLY 58 2HA GLY 58 -6.716 11.197 0.847 458 2HA GLY 58 1HA GLY 58 -6.714 9.659 1.713 459 H ALA 59 H ALA 59 -5.123 8.017 0.374 460 HA ALA 59 HA ALA 59 -2.485 8.899 0.913 461 1HB ALA 59 1HB ALA 59 -3.740 6.541 -0.145 462 2HB ALA 59 2HB ALA 59 -2.139 6.700 0.579 463 3HB ALA 59 3HB ALA 59 -2.352 6.950 -1.154 464 H VAL 60 H VAL 60 -4.355 8.926 -2.103 465 HA VAL 60 HA VAL 60 -2.231 9.791 -3.811 466 HB VAL 60 HB VAL 60 -5.225 10.242 -4.003 467 1HG1 VAL 60 1HG1 VAL 60 -2.934 10.921 -5.812 468 2HG1 VAL 60 2HG1 VAL 60 -4.420 11.820 -5.502 469 3HG1 VAL 60 3HG1 VAL 60 -4.453 10.391 -6.534 470 1HG2 VAL 60 1HG2 VAL 60 -5.307 8.092 -4.674 471 2HG2 VAL 60 2HG2 VAL 60 -3.590 7.932 -4.304 472 3HG2 VAL 60 3HG2 VAL 60 -4.102 8.417 -5.920 473 H ASP 61 H ASP 61 -4.680 11.630 -1.976 474 HA ASP 61 HA ASP 61 -3.932 14.221 -2.851 475 1HB ASP 61 2HB ASP 61 -5.932 13.553 -1.388 476 2HB ASP 61 1HB ASP 61 -4.809 13.589 -0.027 477 H LEU 62 H LEU 62 -2.568 12.159 -0.311 478 HA LEU 62 HA LEU 62 -0.791 14.161 0.755 479 1HB LEU 62 2HB LEU 62 -0.805 11.139 0.841 480 2HB LEU 62 1HB LEU 62 0.464 12.091 1.612 481 HG LEU 62 HG LEU 62 -2.194 13.110 2.247 482 1HD1 LEU 62 1HD1 LEU 62 -1.503 10.289 3.126 483 2HD1 LEU 62 2HD1 LEU 62 -2.786 10.713 1.992 484 3HD1 LEU 62 3HD1 LEU 62 -2.887 11.235 3.673 485 1HD2 LEU 62 1HD2 LEU 62 -0.961 13.763 4.013 486 2HD2 LEU 62 2HD2 LEU 62 0.406 12.835 3.396 487 3HD2 LEU 62 3HD2 LEU 62 -0.749 12.079 4.494 488 H ALA 63 H ALA 63 -0.453 11.691 -1.776 489 HA ALA 63 HA ALA 63 2.353 12.306 -2.254 490 1HB ALA 63 1HB ALA 63 2.101 10.841 -4.214 491 2HB ALA 63 2HB ALA 63 0.351 10.844 -4.002 492 3HB ALA 63 3HB ALA 63 1.385 10.089 -2.790 493 H ARG 64 H ARG 64 -0.566 13.844 -3.046 494 HA ARG 64 HA ARG 64 0.188 14.907 -5.638 495 1HB ARG 64 2HB ARG 64 -1.928 15.544 -3.599 496 2HB ARG 64 1HB ARG 64 -1.634 16.663 -4.931 497 1HG ARG 64 2HG ARG 64 -1.686 14.113 -6.112 498 2HG ARG 64 1HG ARG 64 -3.023 14.120 -4.961 499 1HD ARG 64 2HD ARG 64 -4.000 15.031 -6.893 500 2HD ARG 64 1HD ARG 64 -3.565 16.464 -5.962 501 HE ARG 64 HE ARG 64 -1.489 15.587 -7.832 502 1HH1 ARG 64 2HH1 ARG 64 -2.827 18.313 -6.702 503 2HH1 ARG 64 1HH1 ARG 64 -3.152 19.064 -8.229 504 1HH2 ARG 64 1HH2 ARG 64 -2.547 16.190 -10.072 505 2HH2 ARG 64 2HH2 ARG 64 -2.994 17.861 -10.137 506 H LYS 65 H LYS 65 1.015 15.683 -2.379 507 HA LYS 65 HA LYS 65 1.650 18.479 -2.830 508 1HB LYS 65 2HB LYS 65 1.239 17.167 -0.583 509 2HB LYS 65 1HB LYS 65 2.968 16.836 -0.690 510 1HG LYS 65 2HG LYS 65 3.540 19.116 -0.570 511 2HG LYS 65 1HG LYS 65 1.918 19.641 -1.024 512 1HD LYS 65 2HD LYS 65 2.233 18.035 1.481 513 2HD LYS 65 1HD LYS 65 2.720 19.730 1.510 514 1HE LYS 65 2HE LYS 65 0.268 19.749 0.173 515 2HE LYS 65 1HE LYS 65 0.041 18.585 1.477 516 1HZ LYS 65 1HZ LYS 65 0.225 20.164 3.040 517 2HZ LYS 65 2HZ LYS 65 -0.195 21.223 1.779 518 3HZ LYS 65 3HZ LYS 65 1.435 21.015 2.210 519 H SER 66 H SER 66 3.341 15.453 -3.316 520 HA SER 66 HA SER 66 5.690 17.036 -4.269 521 1HB SER 66 2HB SER 66 6.609 14.490 -3.412 522 2HB SER 66 1HB SER 66 6.991 16.064 -2.718 523 HG SER 66 HG SER 66 5.351 15.839 -1.294 524 H SER 67 H SER 67 3.233 15.266 -5.323 525 HA SER 67 HA SER 67 2.877 13.881 -7.190 526 1HB SER 67 2HB SER 67 3.832 15.607 -8.512 527 2HB SER 67 1HB SER 67 5.450 15.307 -7.883 528 HG SER 67 HG SER 67 5.696 13.785 -9.312 529 H LYS 68 H LYS 68 3.552 12.281 -5.234 530 HA LYS 68 HA LYS 68 6.054 10.842 -5.737 531 1HB LYS 68 2HB LYS 68 3.906 10.800 -3.716 532 2HB LYS 68 1HB LYS 68 4.590 9.216 -4.083 533 1HG LYS 68 2HG LYS 68 6.865 10.682 -3.927 534 2HG LYS 68 1HG LYS 68 5.852 11.563 -2.782 535 1HD LYS 68 2HD LYS 68 5.291 9.303 -1.739 536 2HD LYS 68 1HD LYS 68 6.593 8.631 -2.721 537 1HE LYS 68 2HE LYS 68 6.930 10.941 -0.788 538 2HE LYS 68 1HE LYS 68 7.345 9.267 -0.422 539 1HZ LYS 68 1HZ LYS 68 8.601 11.111 -2.342 540 2HZ LYS 68 2HZ LYS 68 8.710 9.433 -2.585 541 3HZ LYS 68 3HZ LYS 68 9.331 10.132 -1.165 542 HA PRO 69 HA PRO 69 4.482 7.727 -8.396 543 1HB PRO 69 2HB PRO 69 5.727 5.476 -7.423 544 2HB PRO 69 1HB PRO 69 6.567 6.743 -8.333 545 1HG PRO 69 2HG PRO 69 6.654 6.163 -5.410 546 2HG PRO 69 1HG PRO 69 7.870 6.943 -6.436 547 1HD PRO 69 2HD PRO 69 6.084 8.265 -4.680 548 2HD PRO 69 1HD PRO 69 7.074 9.034 -5.938 549 H ILE 70 H ILE 70 2.280 7.342 -8.104 550 HA ILE 70 HA ILE 70 1.477 5.630 -5.793 551 HB ILE 70 HB ILE 70 -0.357 7.254 -7.568 552 1HG1 ILE 70 2HG1 ILE 70 0.317 8.262 -4.866 553 2HG1 ILE 70 1HG1 ILE 70 1.613 8.386 -6.057 554 1HG2 ILE 70 1HG2 ILE 70 -1.562 5.629 -6.310 555 2HG2 ILE 70 2HG2 ILE 70 -1.735 7.135 -5.410 556 3HG2 ILE 70 3HG2 ILE 70 -0.586 5.913 -4.868 557 1HD1 ILE 70 1HD1 ILE 70 -0.499 9.244 -7.540 558 2HD1 ILE 70 2HD1 ILE 70 0.555 10.325 -6.628 559 3HD1 ILE 70 3HD1 ILE 70 -0.983 9.805 -5.939 560 H ILE 71 H ILE 71 1.791 3.559 -6.629 561 HA ILE 71 HA ILE 71 0.895 2.883 -9.335 562 HB ILE 71 HB ILE 71 1.849 1.104 -7.069 563 1HG1 ILE 71 2HG1 ILE 71 3.797 1.171 -9.024 564 2HG1 ILE 71 1HG1 ILE 71 3.212 2.835 -9.019 565 1HG2 ILE 71 1HG2 ILE 71 1.007 0.627 -9.891 566 2HG2 ILE 71 2HG2 ILE 71 0.860 -0.423 -8.482 567 3HG2 ILE 71 3HG2 ILE 71 2.412 -0.265 -9.305 568 1HD1 ILE 71 1HD1 ILE 71 5.117 2.226 -7.371 569 2HD1 ILE 71 2HD1 ILE 71 3.859 1.408 -6.442 570 3HD1 ILE 71 3HD1 ILE 71 3.749 3.143 -6.741 571 H THR 72 H THR 72 -1.250 2.622 -9.718 572 HA THR 72 HA THR 72 -3.037 1.791 -7.511 573 HB THR 72 HB THR 72 -4.846 2.455 -8.937 574 HG1 THR 72 HG1 THR 72 -4.054 1.465 -10.833 575 1HG2 THR 72 1HG2 THR 72 -2.426 4.220 -8.962 576 2HG2 THR 72 2HG2 THR 72 -3.969 4.447 -8.138 577 3HG2 THR 72 3HG2 THR 72 -3.851 4.719 -9.875 578 H VAL 73 H VAL 73 -4.105 -0.189 -7.485 579 HA VAL 73 HA VAL 73 -3.218 -2.153 -9.548 580 HB VAL 73 HB VAL 73 -4.305 -2.626 -6.755 581 1HG1 VAL 73 1HG1 VAL 73 -3.099 -4.929 -7.451 582 2HG1 VAL 73 2HG1 VAL 73 -3.608 -4.390 -9.052 583 3HG1 VAL 73 3HG1 VAL 73 -4.806 -4.622 -7.777 584 1HG2 VAL 73 1HG2 VAL 73 -1.967 -3.312 -6.262 585 2HG2 VAL 73 2HG2 VAL 73 -2.064 -1.615 -6.732 586 3HG2 VAL 73 3HG2 VAL 73 -1.495 -2.820 -7.889 587 H ARG 74 H ARG 74 -4.739 -2.725 -11.012 588 HA ARG 74 HA ARG 74 -7.362 -1.808 -11.145 589 1HB ARG 74 2HB ARG 74 -6.061 -4.321 -12.181 590 2HB ARG 74 1HB ARG 74 -7.781 -4.031 -12.448 591 1HG ARG 74 2HG ARG 74 -6.391 -1.612 -13.049 592 2HG ARG 74 1HG ARG 74 -5.565 -2.930 -13.880 593 1HD ARG 74 2HD ARG 74 -8.539 -2.945 -13.977 594 2HD ARG 74 1HD ARG 74 -7.719 -1.703 -14.924 595 HE ARG 74 HE ARG 74 -6.428 -3.631 -15.984 596 1HH1 ARG 74 1HH2 ARG 74 -8.702 -4.878 -13.868 597 2HH1 ARG 74 2HH2 ARG 74 -9.459 -5.931 -15.016 598 1HH2 ARG 74 2HH1 ARG 74 -7.735 -4.643 -17.734 599 2HH2 ARG 74 1HH1 ARG 74 -8.912 -5.798 -17.204 600 HA PRO 75 HA PRO 75 -9.651 -4.026 -8.127 601 1HB PRO 75 2HB PRO 75 -12.092 -4.172 -9.387 602 2HB PRO 75 1HB PRO 75 -11.446 -2.685 -8.671 603 1HG PRO 75 2HG PRO 75 -11.663 -3.444 -11.547 604 2HG PRO 75 1HG PRO 75 -11.629 -1.832 -10.810 605 1HD PRO 75 2HD PRO 75 -9.457 -3.115 -12.101 606 2HD PRO 75 1HD PRO 75 -9.360 -1.658 -11.088 607 H TYR 76 H TYR 76 -11.440 -5.973 -8.148 608 HA TYR 76 HA TYR 76 -10.064 -8.320 -8.970 609 1HB TYR 76 2HB TYR 76 -12.361 -7.744 -7.483 610 2HB TYR 76 1HB TYR 76 -12.949 -8.704 -8.841 611 HD1 TYR 76 HD1 TYR 76 -11.760 -10.911 -9.374 612 HD2 TYR 76 HD2 TYR 76 -11.191 -8.761 -5.696 613 HE1 TYR 76 HE1 TYR 76 -10.857 -12.963 -8.312 614 HE2 TYR 76 HE2 TYR 76 -10.288 -10.814 -4.636 615 HH TYR 76 HH TYR 76 -10.658 -13.864 -5.928 616 H GLY 77 H GLY 77 -12.724 -6.533 -10.528 617 1HA GLY 77 2HA GLY 77 -12.149 -6.691 -13.137 618 2HA GLY 77 1HA GLY 77 -12.606 -8.370 -12.847 619 H LEU 78 H LEU 78 -13.996 -5.376 -11.498 620 HA LEU 78 HA LEU 78 -16.630 -6.270 -12.592 621 1HB LEU 78 2HB LEU 78 -15.810 -4.889 -10.067 622 2HB LEU 78 1HB LEU 78 -17.395 -4.514 -10.746 623 HG LEU 78 HG LEU 78 -16.698 -7.393 -10.653 624 1HD1 LEU 78 1HD1 LEU 78 -17.495 -5.973 -8.105 625 2HD1 LEU 78 2HD1 LEU 78 -15.817 -6.368 -8.477 626 3HD1 LEU 78 3HD1 LEU 78 -17.009 -7.657 -8.303 627 1HD2 LEU 78 1HD2 LEU 78 -19.006 -7.631 -10.352 628 2HD2 LEU 78 2HD2 LEU 78 -18.921 -6.142 -11.294 629 3HD2 LEU 78 3HD2 LEU 78 -19.163 -6.070 -9.548 630 H GLU 79 H GLU 79 -14.283 -3.705 -12.535 631 HA GLU 79 HA GLU 79 -15.482 -2.385 -14.787 632 1HB GLU 79 2HB GLU 79 -15.771 -0.177 -13.311 633 2HB GLU 79 1HB GLU 79 -17.096 -1.321 -13.527 634 1HG GLU 79 2HG GLU 79 -16.920 -2.145 -11.378 635 2HG GLU 79 1HG GLU 79 -15.188 -1.823 -11.286 636 H ASN 80 H ASN 80 -13.793 -1.442 -15.813 637 HA ASN 80 HA ASN 80 -11.173 -1.350 -14.700 638 1HB ASN 80 2HB ASN 80 -11.478 -1.398 -17.106 639 2HB ASN 80 1HB ASN 80 -12.358 0.131 -17.065 640 1HD2 ASN 80 1HD2 ASN 80 -11.091 1.940 -17.499 641 2HD2 ASN 80 2HD2 ASN 80 -9.411 2.029 -17.282 642 H VAL 81 H VAL 81 -9.946 0.410 -13.901 643 HA VAL 81 HA VAL 81 -11.258 2.264 -12.223 644 HB VAL 81 HB VAL 81 -9.012 3.536 -12.387 645 1HG1 VAL 81 1HG1 VAL 81 -8.302 0.762 -11.720 646 2HG1 VAL 81 2HG1 VAL 81 -9.811 1.300 -10.982 647 3HG1 VAL 81 3HG1 VAL 81 -8.318 2.195 -10.693 648 1HG2 VAL 81 1HG2 VAL 81 -7.636 2.963 -14.076 649 2HG2 VAL 81 2HG2 VAL 81 -8.798 1.755 -14.623 650 3HG2 VAL 81 3HG2 VAL 81 -7.561 1.317 -13.445 651 HA PRO 82 HA PRO 82 -12.550 5.451 -14.949 652 1HB PRO 82 2HB PRO 82 -12.505 7.567 -13.195 653 2HB PRO 82 1HB PRO 82 -13.747 6.304 -13.174 654 1HG PRO 82 2HG PRO 82 -11.460 6.717 -11.306 655 2HG PRO 82 1HG PRO 82 -13.018 5.924 -11.015 656 1HD PRO 82 2HD PRO 82 -10.552 4.613 -11.490 657 2HD PRO 82 1HD PRO 82 -12.161 3.859 -11.522 658 HA PRO 83 HA PRO 83 -9.017 7.656 -16.397 659 1HB PRO 83 2HB PRO 83 -10.264 9.760 -17.655 660 2HB PRO 83 1HB PRO 83 -10.227 8.111 -18.304 661 1HG PRO 83 2HG PRO 83 -12.484 9.568 -17.005 662 2HG PRO 83 1HG PRO 83 -12.531 8.254 -18.193 663 1HD PRO 83 2HD PRO 83 -12.967 7.983 -15.411 664 2HD PRO 83 1HD PRO 83 -12.670 6.656 -16.555 665 H GLU 84 H GLU 84 -11.214 9.131 -14.176 666 HA GLU 84 HA GLU 84 -9.894 11.689 -13.921 667 1HB GLU 84 2HB GLU 84 -11.535 10.220 -11.836 668 2HB GLU 84 1HB GLU 84 -11.211 11.953 -11.899 669 1HG GLU 84 2HG GLU 84 -12.418 12.108 -14.042 670 2HG GLU 84 1HG GLU 84 -12.741 10.376 -13.988 671 H LEU 85 H LEU 85 -9.330 8.501 -12.592 672 HA LEU 85 HA LEU 85 -7.451 9.514 -10.564 673 1HB LEU 85 2HB LEU 85 -8.959 7.422 -10.351 674 2HB LEU 85 1HB LEU 85 -7.775 6.630 -11.390 675 HG LEU 85 HG LEU 85 -6.239 7.963 -9.468 676 1HD1 LEU 85 1HD1 LEU 85 -8.784 7.769 -8.398 677 2HD1 LEU 85 2HD1 LEU 85 -7.296 7.914 -7.464 678 3HD1 LEU 85 3HD1 LEU 85 -7.989 6.322 -7.776 679 1HD2 LEU 85 1HD2 LEU 85 -6.180 5.579 -10.595 680 2HD2 LEU 85 2HD2 LEU 85 -7.046 5.086 -9.140 681 3HD2 LEU 85 3HD2 LEU 85 -5.445 5.815 -9.009 682 H GLU 86 H GLU 86 -7.378 8.297 -13.828 683 HA GLU 86 HA GLU 86 -4.691 7.402 -13.985 684 1HB GLU 86 2HB GLU 86 -6.737 8.372 -15.894 685 2HB GLU 86 1HB GLU 86 -5.067 8.532 -16.437 686 1HG GLU 86 2HG GLU 86 -4.783 6.284 -16.631 687 2HG GLU 86 1HG GLU 86 -5.690 5.948 -15.155 688 H ALA 87 H ALA 87 -6.051 10.664 -14.092 689 HA ALA 87 HA ALA 87 -3.636 11.992 -14.907 690 1HB ALA 87 1HB ALA 87 -4.748 14.028 -13.927 691 2HB ALA 87 2HB ALA 87 -6.040 12.978 -13.348 692 3HB ALA 87 3HB ALA 87 -5.756 13.151 -15.079 693 H VAL 88 H VAL 88 -5.006 11.215 -11.714 694 HA VAL 88 HA VAL 88 -2.662 12.416 -10.380 695 HB VAL 88 HB VAL 88 -3.842 11.650 -8.291 696 1HG1 VAL 88 1HG1 VAL 88 -4.237 13.900 -9.063 697 2HG1 VAL 88 2HG1 VAL 88 -5.801 13.220 -8.611 698 3HG1 VAL 88 3HG1 VAL 88 -5.347 13.333 -10.311 699 1HG2 VAL 88 1HG2 VAL 88 -6.187 11.028 -10.074 700 2HG2 VAL 88 2HG2 VAL 88 -5.923 10.565 -8.393 701 3HG2 VAL 88 3HG2 VAL 88 -5.016 9.770 -9.680 702 H SER 89 H SER 89 -3.109 9.610 -11.982 703 HA SER 89 HA SER 89 -1.664 7.939 -9.984 704 1HB SER 89 2HB SER 89 -3.609 6.862 -10.970 705 2HB SER 89 1HB SER 89 -3.033 7.226 -12.595 706 HG SER 89 HG SER 89 -1.565 5.698 -10.708 707 H SER 90 H SER 90 0.398 7.121 -10.443 708 HA SER 90 HA SER 90 1.747 8.373 -12.794 709 1HB SER 90 2HB SER 90 2.624 8.899 -10.488 710 2HB SER 90 1HB SER 90 3.025 7.194 -10.311 711 HG SER 90 HG SER 90 3.881 8.617 -12.579 712 H GLU 91 H GLU 91 0.733 5.380 -11.445 713 HA GLU 91 HA GLU 91 1.900 3.953 -13.745 714 1HB GLU 91 2HB GLU 91 3.133 3.884 -11.160 715 2HB GLU 91 1HB GLU 91 2.425 2.301 -11.478 716 1HG GLU 91 2HG GLU 91 3.767 1.913 -13.322 717 2HG GLU 91 1HG GLU 91 3.950 3.632 -13.680 718 H VAL 92 H VAL 92 0.519 2.338 -14.401 719 HA VAL 92 HA VAL 92 -1.680 1.602 -12.508 720 HB VAL 92 HB VAL 92 -1.897 1.581 -15.525 721 1HG1 VAL 92 1HG1 VAL 92 -3.922 1.626 -13.265 722 2HG1 VAL 92 2HG1 VAL 92 -3.543 0.244 -14.293 723 3HG1 VAL 92 3HG1 VAL 92 -4.322 1.668 -14.983 724 1HG2 VAL 92 1HG2 VAL 92 -1.357 3.880 -14.422 725 2HG2 VAL 92 2HG2 VAL 92 -2.987 3.769 -13.758 726 3HG2 VAL 92 3HG2 VAL 92 -2.746 3.781 -15.505 727 H VAL 93 H VAL 93 -1.224 -0.438 -11.806 728 HA VAL 93 HA VAL 93 -0.082 -2.365 -13.780 729 HB VAL 93 HB VAL 93 0.563 -3.700 -11.786 730 1HG1 VAL 93 1HG1 VAL 93 2.487 -2.516 -11.641 731 2HG1 VAL 93 2HG1 VAL 93 1.659 -1.098 -10.999 732 3HG1 VAL 93 3HG1 VAL 93 1.721 -1.371 -12.741 733 1HG2 VAL 93 1HG2 VAL 93 -0.496 -3.310 -9.836 734 2HG2 VAL 93 2HG2 VAL 93 -1.287 -1.891 -10.523 735 3HG2 VAL 93 3HG2 VAL 93 0.293 -1.736 -9.753 736 H GLY 94 H GLY 94 -1.222 -4.199 -14.301 737 1HA GLY 94 2HA GLY 94 -4.008 -4.356 -13.320 738 2HA GLY 94 1HA GLY 94 -3.341 -5.254 -14.684 739 H TRP 95 H TRP 95 -3.930 -7.317 -13.980 740 HA TRP 95 HA TRP 95 -2.952 -8.175 -11.303 741 1HB TRP 95 2HB TRP 95 -5.051 -9.140 -13.196 742 2HB TRP 95 1HB TRP 95 -4.263 -10.339 -12.168 743 HD1 TRP 95 HD1 TRP 95 -6.820 -7.620 -12.117 744 HE1 TRP 95 HE1 TRP 95 -7.731 -7.312 -9.726 745 HE3 TRP 95 HE3 TRP 95 -3.464 -10.465 -9.523 746 HZ2 TRP 95 HZ2 TRP 95 -7.119 -8.161 -7.063 747 HZ3 TRP 95 HZ3 TRP 95 -3.650 -10.698 -7.061 748 HH2 TRP 95 HH2 TRP 95 -5.472 -9.551 -5.830 749 H ASN 96 H ASN 96 -0.743 -7.885 -12.585 750 HA ASN 96 HA ASN 96 -0.004 -10.611 -13.529 751 1HB ASN 96 2HB ASN 96 0.437 -7.997 -14.959 752 2HB ASN 96 1HB ASN 96 1.560 -9.337 -15.188 753 1HD2 ASN 96 1HD2 ASN 96 -1.323 -8.017 -16.368 754 2HD2 ASN 96 2HD2 ASN 96 -1.925 -9.394 -17.159 755 HA PRO 97 HA PRO 97 3.318 -9.881 -10.720 756 1HB PRO 97 2HB PRO 97 4.855 -12.039 -11.450 757 2HB PRO 97 1HB PRO 97 3.395 -12.170 -10.454 758 1HG PRO 97 2HG PRO 97 3.784 -12.904 -13.316 759 2HG PRO 97 1HG PRO 97 2.620 -13.539 -12.144 760 1HD PRO 97 2HD PRO 97 2.070 -11.644 -14.180 761 2HD PRO 97 1HD PRO 97 1.006 -12.063 -12.821 762 H HIS 98 H HIS 98 3.876 -10.250 -14.181 763 HA HIS 98 HA HIS 98 6.661 -9.446 -14.111 764 1HB HIS 98 2HB HIS 98 5.077 -10.589 -16.008 765 2HB HIS 98 1HB HIS 98 5.101 -8.918 -16.574 766 HD1 HIS 98 HD1 HIS 98 8.033 -8.286 -15.544 767 HD2 HIS 98 HD2 HIS 98 6.952 -11.564 -17.882 768 HE1 HIS 98 HE1 HIS 98 10.134 -9.035 -16.743 769 H CYS 99 H CYS 99 3.584 -7.746 -14.394 770 HA CYS 99 HA CYS 99 4.784 -5.212 -15.156 771 1HB CYS 99 2HB CYS 99 2.066 -6.125 -14.279 772 2HB CYS 99 1HB CYS 99 2.436 -4.400 -14.251 773 HG CYS 99 HG CYS 99 2.483 -6.162 -16.833 774 H ILE 100 H ILE 100 3.493 -6.523 -12.089 775 HA ILE 100 HA ILE 100 4.152 -4.191 -10.539 776 HB ILE 100 HB ILE 100 3.889 -7.056 -9.578 777 1HG1 ILE 100 2HG1 ILE 100 1.824 -4.905 -10.127 778 2HG1 ILE 100 1HG1 ILE 100 1.900 -6.523 -10.825 779 1HG2 ILE 100 1HG2 ILE 100 4.849 -5.247 -8.036 780 2HG2 ILE 100 2HG2 ILE 100 3.433 -6.111 -7.438 781 3HG2 ILE 100 3HG2 ILE 100 3.259 -4.488 -8.109 782 1HD1 ILE 100 1HD1 ILE 100 0.207 -6.465 -9.056 783 2HD1 ILE 100 2HD1 ILE 100 1.402 -5.862 -7.908 784 3HD1 ILE 100 3HD1 ILE 100 1.553 -7.493 -8.564 785 H ARG 101 H ARG 101 6.107 -6.625 -11.908 786 HA ARG 101 HA ARG 101 8.190 -6.616 -9.873 787 1HB ARG 101 2HB ARG 101 7.841 -8.490 -11.507 788 2HB ARG 101 1HB ARG 101 8.401 -7.416 -12.789 789 1HG ARG 101 2HG ARG 101 10.344 -7.171 -10.799 790 2HG ARG 101 1HG ARG 101 9.955 -8.893 -10.816 791 1HD ARG 101 2HD ARG 101 10.178 -7.742 -13.504 792 2HD ARG 101 1HD ARG 101 11.674 -7.626 -12.577 793 HE ARG 101 HE ARG 101 10.650 -10.264 -12.274 794 1HH1 ARG 101 1HH2 ARG 101 12.607 -8.221 -14.174 795 2HH1 ARG 101 2HH2 ARG 101 13.018 -9.441 -15.333 796 1HH2 ARG 101 2HH1 ARG 101 10.898 -11.824 -13.974 797 2HH2 ARG 101 1HH1 ARG 101 12.052 -11.481 -15.219 798 H ASP 102 H ASP 102 8.032 -5.259 -13.191 799 HA ASP 102 HA ASP 102 10.424 -3.670 -12.797 800 1HB ASP 102 2HB ASP 102 9.758 -4.365 -15.044 801 2HB ASP 102 1HB ASP 102 8.234 -3.491 -14.887 802 H ALA 103 H ALA 103 7.026 -3.186 -12.180 803 HA ALA 103 HA ALA 103 7.091 -0.300 -12.098 804 1HB ALA 103 1HB ALA 103 5.099 -1.169 -10.315 805 2HB ALA 103 2HB ALA 103 5.174 -2.411 -11.564 806 3HB ALA 103 3HB ALA 103 4.881 -0.730 -12.008 807 H LEU 104 H LEU 104 7.471 -2.830 -9.617 808 HA LEU 104 HA LEU 104 7.797 -0.917 -7.457 809 1HB LEU 104 2HB LEU 104 7.894 -3.846 -7.792 810 2HB LEU 104 1HB LEU 104 8.988 -3.221 -6.556 811 HG LEU 104 HG LEU 104 6.083 -2.396 -6.711 812 1HD1 LEU 104 1HD1 LEU 104 6.572 -4.158 -4.523 813 2HD1 LEU 104 2HD1 LEU 104 7.149 -4.955 -5.986 814 3HD1 LEU 104 3HD1 LEU 104 5.478 -4.398 -5.885 815 1HD2 LEU 104 1HD2 LEU 104 6.448 -1.447 -4.596 816 2HD2 LEU 104 2HD2 LEU 104 7.977 -1.125 -5.415 817 3HD2 LEU 104 3HD2 LEU 104 7.852 -2.465 -4.276 818 H GLU 105 H GLU 105 10.029 -2.806 -9.487 819 HA GLU 105 HA GLU 105 12.450 -2.138 -8.196 820 1HB GLU 105 2HB GLU 105 12.057 -3.723 -10.192 821 2HB GLU 105 1HB GLU 105 12.179 -2.280 -11.201 822 1HG GLU 105 2HG GLU 105 14.422 -2.329 -11.056 823 2HG GLU 105 1HG GLU 105 14.332 -2.277 -9.295 824 H ASP 106 H ASP 106 10.481 -0.260 -10.453 825 HA ASP 106 HA ASP 106 12.434 1.828 -10.866 826 1HB ASP 106 2HB ASP 106 9.580 1.376 -11.491 827 2HB ASP 106 1HB ASP 106 10.034 3.066 -11.281 828 H ALA 107 H ALA 107 9.943 1.232 -8.446 829 HA ALA 107 HA ALA 107 9.825 3.835 -7.301 830 1HB ALA 107 1HB ALA 107 9.507 2.168 -5.139 831 2HB ALA 107 2HB ALA 107 9.111 1.095 -6.482 832 3HB ALA 107 3HB ALA 107 8.221 2.602 -6.265 833 H LEU 108 H LEU 108 12.360 1.520 -7.329 834 HA LEU 108 HA LEU 108 13.653 2.216 -4.856 835 1HB LEU 108 2HB LEU 108 14.087 0.267 -6.639 836 2HB LEU 108 1HB LEU 108 15.287 1.420 -7.226 837 HG LEU 108 HG LEU 108 15.720 1.544 -4.532 838 1HD1 LEU 108 1HD1 LEU 108 14.078 -0.699 -4.849 839 2HD1 LEU 108 2HD1 LEU 108 15.076 -0.326 -3.443 840 3HD1 LEU 108 3HD1 LEU 108 15.707 -1.363 -4.723 841 1HD2 LEU 108 1HD2 LEU 108 16.917 -0.200 -6.689 842 2HD2 LEU 108 2HD2 LEU 108 17.593 -0.156 -5.062 843 3HD2 LEU 108 3HD2 LEU 108 17.542 1.313 -6.035 844 H ASP 109 H ASP 109 14.040 3.413 -8.196 845 HA ASP 109 HA ASP 109 15.061 5.961 -7.099 846 1HB ASP 109 2HB ASP 109 17.112 4.672 -7.403 847 2HB ASP 109 1HB ASP 109 16.634 4.248 -9.046 848 H VAL 110 H VAL 110 15.239 7.614 -8.899 849 HA VAL 110 HA VAL 110 13.566 6.928 -11.264 850 HB VAL 110 HB VAL 110 13.130 9.493 -9.736 851 1HG1 VAL 110 1HG1 VAL 110 10.812 9.014 -10.903 852 2HG1 VAL 110 2HG1 VAL 110 11.780 7.965 -11.939 853 3HG1 VAL 110 3HG1 VAL 110 12.147 9.687 -11.840 854 1HG2 VAL 110 1HG2 VAL 110 12.722 7.373 -8.329 855 2HG2 VAL 110 2HG2 VAL 110 11.411 7.021 -9.455 856 3HG2 VAL 110 3HG2 VAL 110 11.370 8.493 -8.485 857 H ILE 111 HN ILE 111 15.795 7.016 -12.210 858 HA ILE 111 HA ILE 111 17.227 9.539 -12.254 859 HB ILE 111 HB ILE 111 18.476 8.415 -14.168 860 1HG1 ILE 111 2HG1 ILE 111 17.334 5.800 -13.482 861 2HG1 ILE 111 1HG1 ILE 111 16.182 6.862 -14.290 862 1HG2 ILE 111 1HG2 ILE 111 18.740 6.328 -12.240 863 2HG2 ILE 111 2HG2 ILE 111 18.405 7.824 -11.368 864 3HG2 ILE 111 3HG2 ILE 111 19.780 7.734 -12.467 865 1HD1 ILE 111 1HD1 ILE 111 17.880 7.286 -16.069 866 2HD1 ILE 111 2HD1 ILE 111 17.412 5.589 -15.970 867 3HD1 ILE 111 3HD1 ILE 111 18.948 6.122 -15.287 Start of MODEL 12 1 1H VAL 1 1H VAL 1 23.833 -8.693 -0.333 2 2H VAL 1 2H VAL 1 23.348 -7.930 -1.772 3 3H VAL 1 3H VAL 1 23.863 -9.549 -1.796 4 HA VAL 1 HA VAL 1 21.554 -9.699 -1.921 5 HB VAL 1 HB VAL 1 22.512 -11.191 -0.219 6 1HG1 VAL 1 1HG1 VAL 1 23.475 -10.248 1.586 7 2HG1 VAL 1 2HG1 VAL 1 21.858 -9.890 2.193 8 3HG1 VAL 1 3HG1 VAL 1 22.723 -8.693 1.231 9 1HG2 VAL 1 1HG2 VAL 1 19.842 -10.344 -0.391 10 2HG2 VAL 1 2HG2 VAL 1 20.185 -10.396 1.338 11 3HG2 VAL 1 3HG2 VAL 1 20.422 -11.836 0.349 12 H THR 2 H THR 2 20.810 -7.521 -2.471 13 HA THR 2 HA THR 2 19.642 -6.100 -0.110 14 HB THR 2 HB THR 2 19.752 -4.178 -2.060 15 HG1 THR 2 HG1 THR 2 22.101 -4.481 -2.655 16 1HG2 THR 2 1HG2 THR 2 20.529 -3.426 -0.046 17 2HG2 THR 2 2HG2 THR 2 22.100 -3.742 -0.784 18 3HG2 THR 2 3HG2 THR 2 21.381 -4.932 0.301 19 H ALA 3 H ALA 3 17.740 -7.500 -0.482 20 HA ALA 3 HA ALA 3 16.145 -6.607 -2.854 21 1HB ALA 3 1HB ALA 3 16.044 -8.827 -3.300 22 2HB ALA 3 2HB ALA 3 14.922 -8.913 -1.941 23 3HB ALA 3 3HB ALA 3 16.634 -9.260 -1.695 24 H GLU 4 H GLU 4 15.770 -4.794 -1.119 25 HA GLU 4 HA GLU 4 13.320 -5.560 0.406 26 1HB GLU 4 2HB GLU 4 15.184 -3.459 1.468 27 2HB GLU 4 1HB GLU 4 14.023 -4.460 2.341 28 1HG GLU 4 2HG GLU 4 15.662 -6.384 1.346 29 2HG GLU 4 1HG GLU 4 16.815 -5.063 1.545 30 H ILE 5 H ILE 5 11.645 -4.087 0.228 31 HA ILE 5 HA ILE 5 12.242 -1.509 -1.158 32 HB ILE 5 HB ILE 5 9.721 -3.069 -1.707 33 1HG1 ILE 5 2HG1 ILE 5 11.449 -3.398 -3.900 34 2HG1 ILE 5 1HG1 ILE 5 12.428 -3.785 -2.486 35 1HG2 ILE 5 1HG2 ILE 5 10.746 -0.542 -2.446 36 2HG2 ILE 5 2HG2 ILE 5 9.309 -1.340 -3.086 37 3HG2 ILE 5 3HG2 ILE 5 10.866 -1.556 -3.885 38 1HD1 ILE 5 1HD1 ILE 5 11.308 -5.811 -3.230 39 2HD1 ILE 5 2HD1 ILE 5 9.745 -4.995 -3.211 40 3HD1 ILE 5 3HD1 ILE 5 10.596 -5.303 -1.699 41 H ARG 6 H ARG 6 10.718 0.202 -0.643 42 HA ARG 6 HA ARG 6 9.192 -0.337 1.874 43 1HB ARG 6 2HB ARG 6 10.949 1.901 1.017 44 2HB ARG 6 1HB ARG 6 9.485 2.357 1.890 45 1HG ARG 6 2HG ARG 6 10.110 0.628 3.636 46 2HG ARG 6 1HG ARG 6 11.668 0.477 2.821 47 1HD ARG 6 2HD ARG 6 12.013 2.933 3.114 48 2HD ARG 6 1HD ARG 6 10.510 3.004 4.033 49 HE ARG 6 HE ARG 6 12.914 1.455 4.914 50 1HH1 ARG 6 2HH1 ARG 6 11.022 4.107 5.616 51 2HH1 ARG 6 1HH1 ARG 6 10.708 3.683 7.266 52 1HH2 ARG 6 1HH2 ARG 6 12.078 0.510 6.988 53 2HH2 ARG 6 2HH2 ARG 6 11.307 1.647 8.043 54 H LEU 7 H LEU 7 7.091 -0.598 1.218 55 HA LEU 7 HA LEU 7 5.895 1.619 -0.373 56 1HB LEU 7 2HB LEU 7 4.492 -0.195 -1.528 57 2HB LEU 7 1HB LEU 7 6.177 -0.065 -2.035 58 HG LEU 7 HG LEU 7 5.703 -1.855 0.270 59 1HD1 LEU 7 1HD1 LEU 7 4.238 -3.281 -0.680 60 2HD1 LEU 7 2HD1 LEU 7 5.154 -3.299 -2.187 61 3HD1 LEU 7 3HD1 LEU 7 3.939 -2.052 -1.908 62 1HD2 LEU 7 1HD2 LEU 7 7.561 -1.456 -1.930 63 2HD2 LEU 7 2HD2 LEU 7 7.060 -3.144 -1.824 64 3HD2 LEU 7 3HD2 LEU 7 7.792 -2.352 -0.428 65 H TYR 8 H TYR 8 3.397 1.400 -0.262 66 HA TYR 8 HA TYR 8 2.491 0.116 2.256 67 1HB TYR 8 2HB TYR 8 3.079 2.368 2.962 68 2HB TYR 8 1HB TYR 8 2.180 3.064 1.614 69 HD1 TYR 8 HD1 TYR 8 1.938 1.461 4.906 70 HD2 TYR 8 HD2 TYR 8 -0.283 3.003 1.566 71 HE1 TYR 8 HE1 TYR 8 -0.133 1.438 6.274 72 HE2 TYR 8 HE2 TYR 8 -2.354 2.980 2.933 73 HH TYR 8 HH TYR 8 -3.007 1.386 5.253 74 H ILE 9 H ILE 9 0.376 -0.607 2.109 75 HA ILE 9 HA ILE 9 -1.111 0.147 -0.376 76 HB ILE 9 HB ILE 9 -1.532 -2.482 1.016 77 1HG1 ILE 9 2HG1 ILE 9 0.543 -2.056 -1.148 78 2HG1 ILE 9 1HG1 ILE 9 0.958 -2.099 0.565 79 1HG2 ILE 9 1HG2 ILE 9 -2.487 -1.168 -1.322 80 2HG2 ILE 9 2HG2 ILE 9 -2.875 -2.794 -0.762 81 3HG2 ILE 9 3HG2 ILE 9 -1.513 -2.540 -1.853 82 1HD1 ILE 9 1HD1 ILE 9 1.255 -4.328 -0.360 83 2HD1 ILE 9 2HD1 ILE 9 -0.379 -4.308 -1.021 84 3HD1 ILE 9 3HD1 ILE 9 -0.135 -4.345 0.724 85 H THR 10 H THR 10 -3.179 0.882 -0.057 86 HA THR 10 HA THR 10 -4.091 1.627 2.526 87 HB THR 10 HB THR 10 -6.361 1.240 0.827 88 HG1 THR 10 HG1 THR 10 -5.465 1.354 -1.053 89 1HG2 THR 10 1HG2 THR 10 -5.125 3.238 2.387 90 2HG2 THR 10 2HG2 THR 10 -6.706 3.318 1.606 91 3HG2 THR 10 3HG2 THR 10 -5.275 3.913 0.765 92 H GLU 11 H GLU 11 -4.547 0.191 4.123 93 HA GLU 11 HA GLU 11 -5.104 -2.547 3.834 94 1HB GLU 11 2HB GLU 11 -5.285 -0.563 5.962 95 2HB GLU 11 1HB GLU 11 -6.557 -1.778 6.093 96 1HG GLU 11 2HG GLU 11 -4.987 -3.077 7.081 97 2HG GLU 11 1HG GLU 11 -4.333 -3.292 5.457 98 H GLY 12 H GLY 12 -6.932 -3.709 3.333 99 1HA GLY 12 2HA GLY 12 -9.526 -2.243 3.204 100 2HA GLY 12 1HA GLY 12 -8.977 -3.157 1.799 101 H GLU 13 H GLU 13 -11.358 -3.595 3.547 102 HA GLU 13 HA GLU 13 -10.796 -6.011 5.085 103 1HB GLU 13 2HB GLU 13 -13.168 -4.339 4.464 104 2HB GLU 13 1HB GLU 13 -13.492 -6.046 4.774 105 1HG GLU 13 2HG GLU 13 -11.676 -5.408 6.757 106 2HG GLU 13 1HG GLU 13 -12.648 -3.940 6.635 107 H VAL 14 H VAL 14 -11.938 -5.254 1.840 108 HA VAL 14 HA VAL 14 -13.096 -7.608 0.976 109 HB VAL 14 HB VAL 14 -11.999 -7.191 -1.241 110 1HG1 VAL 14 1HG1 VAL 14 -14.034 -5.978 -0.645 111 2HG1 VAL 14 2HG1 VAL 14 -12.945 -4.901 -1.520 112 3HG1 VAL 14 3HG1 VAL 14 -13.090 -4.774 0.232 113 1HG2 VAL 14 1HG2 VAL 14 -10.686 -4.881 -1.134 114 2HG2 VAL 14 2HG2 VAL 14 -9.848 -6.407 -0.850 115 3HG2 VAL 14 3HG2 VAL 14 -10.350 -5.408 0.514 116 H GLU 15 H GLU 15 -12.416 -9.699 0.570 117 HA GLU 15 HA GLU 15 -10.013 -10.643 1.815 118 1HB GLU 15 2HB GLU 15 -10.588 -12.801 0.920 119 2HB GLU 15 1HB GLU 15 -12.103 -12.006 1.346 120 1HG GLU 15 2HG GLU 15 -12.306 -11.240 -1.035 121 2HG GLU 15 1HG GLU 15 -10.880 -12.207 -1.419 122 H ASP 16 H ASP 16 -10.706 -9.412 -1.363 123 HA ASP 16 HA ASP 16 -8.530 -10.582 -2.799 124 1HB ASP 16 2HB ASP 16 -10.394 -9.323 -3.871 125 2HB ASP 16 1HB ASP 16 -9.757 -7.832 -3.177 126 H TYR 17 H TYR 17 -8.723 -7.875 -0.569 127 HA TYR 17 HA TYR 17 -6.177 -6.700 -1.163 128 1HB TYR 17 2HB TYR 17 -7.934 -5.590 0.208 129 2HB TYR 17 1HB TYR 17 -7.656 -6.773 1.486 130 HD1 TYR 17 HD1 TYR 17 -6.214 -3.920 -0.365 131 HD2 TYR 17 HD2 TYR 17 -5.654 -6.710 2.856 132 HE1 TYR 17 HE1 TYR 17 -4.333 -2.550 0.496 133 HE2 TYR 17 HE2 TYR 17 -3.772 -5.339 3.716 134 HH TYR 17 HH TYR 17 -2.565 -3.502 3.447 135 H ARG 18 H ARG 18 -7.171 -9.232 1.135 136 HA ARG 18 HA ARG 18 -4.570 -9.595 2.298 137 1HB ARG 18 2HB ARG 18 -7.107 -10.620 2.753 138 2HB ARG 18 1HB ARG 18 -6.211 -12.019 2.157 139 1HG ARG 18 2HG ARG 18 -5.631 -12.155 4.383 140 2HG ARG 18 1HG ARG 18 -4.362 -11.057 3.840 141 1HD ARG 18 2HD ARG 18 -5.657 -9.127 4.556 142 2HD ARG 18 1HD ARG 18 -7.027 -10.156 4.971 143 HE ARG 18 HE ARG 18 -4.625 -9.768 6.584 144 1HH1 ARG 18 2HH1 ARG 18 -7.023 -12.049 5.634 145 2HH1 ARG 18 1HH1 ARG 18 -7.120 -12.799 7.192 146 1HH2 ARG 18 1HH2 ARG 18 -4.840 -10.642 8.667 147 2HH2 ARG 18 2HH2 ARG 18 -5.884 -12.003 8.908 148 H VAL 19 H VAL 19 -6.221 -11.113 -0.462 149 HA VAL 19 HA VAL 19 -4.288 -13.110 -1.031 150 HB VAL 19 HB VAL 19 -5.782 -11.558 -3.154 151 1HG1 VAL 19 1HG1 VAL 19 -4.282 -13.212 -4.044 152 2HG1 VAL 19 2HG1 VAL 19 -5.904 -13.903 -4.125 153 3HG1 VAL 19 3HG1 VAL 19 -4.794 -14.405 -2.849 154 1HG2 VAL 19 1HG2 VAL 19 -7.617 -12.015 -1.848 155 2HG2 VAL 19 2HG2 VAL 19 -6.800 -13.308 -0.971 156 3HG2 VAL 19 3HG2 VAL 19 -7.450 -13.609 -2.583 157 H PHE 20 H PHE 20 -4.579 -9.855 -2.511 158 HA PHE 20 HA PHE 20 -2.197 -9.881 -3.992 159 1HB PHE 20 2HB PHE 20 -3.948 -8.046 -3.958 160 2HB PHE 20 1HB PHE 20 -3.222 -7.479 -2.453 161 HD1 PHE 20 HD1 PHE 20 -1.709 -8.848 -5.601 162 HD2 PHE 20 HD2 PHE 20 -2.025 -5.520 -2.900 163 HE1 PHE 20 HE1 PHE 20 0.028 -7.635 -6.892 164 HE2 PHE 20 HE2 PHE 20 -0.287 -4.308 -4.191 165 HZ PHE 20 HZ PHE 20 0.740 -5.366 -6.187 166 H LEU 21 H LEU 21 -2.681 -9.142 -0.552 167 HA LEU 21 HA LEU 21 -0.077 -8.268 0.095 168 1HB LEU 21 2HB LEU 21 -2.353 -8.767 1.524 169 2HB LEU 21 1HB LEU 21 -1.321 -10.092 2.061 170 HG LEU 21 HG LEU 21 0.502 -8.330 2.423 171 1HD1 LEU 21 1HD1 LEU 21 -0.965 -6.649 1.035 172 2HD1 LEU 21 2HD1 LEU 21 -0.052 -6.059 2.424 173 3HD1 LEU 21 3HD1 LEU 21 -1.780 -6.378 2.576 174 1HD2 LEU 21 1HD2 LEU 21 -0.171 -8.802 4.529 175 2HD2 LEU 21 2HD2 LEU 21 -1.844 -9.005 4.009 176 3HD2 LEU 21 3HD2 LEU 21 -1.237 -7.402 4.420 177 H GLU 22 H GLU 22 -1.330 -11.618 0.402 178 HA GLU 22 HA GLU 22 1.227 -12.782 0.923 179 1HB GLU 22 2HB GLU 22 -1.217 -13.768 1.123 180 2HB GLU 22 1HB GLU 22 -0.904 -14.319 -0.524 181 1HG GLU 22 2HG GLU 22 0.680 -15.831 0.137 182 2HG GLU 22 1HG GLU 22 1.278 -14.791 1.431 183 H ARG 23 H ARG 23 -0.165 -11.571 -1.975 184 HA ARG 23 HA ARG 23 1.280 -13.252 -3.838 185 1HB ARG 23 2HB ARG 23 -0.779 -11.815 -4.338 186 2HB ARG 23 1HB ARG 23 0.317 -10.433 -4.361 187 1HG ARG 23 2HG ARG 23 0.352 -11.032 -6.604 188 2HG ARG 23 1HG ARG 23 1.712 -11.978 -5.997 189 1HD ARG 23 2HD ARG 23 -0.936 -13.283 -5.773 190 2HD ARG 23 1HD ARG 23 -0.347 -13.049 -7.419 191 HE ARG 23 HE ARG 23 1.650 -14.196 -5.618 192 1HH1 ARG 23 2HH1 ARG 23 1.520 -14.766 -8.545 193 2HH1 ARG 23 1HH1 ARG 23 0.886 -16.377 -8.580 194 1HH2 ARG 23 1HH2 ARG 23 -0.253 -16.283 -5.306 195 2HH2 ARG 23 2HH2 ARG 23 -0.116 -17.237 -6.746 196 H LEU 24 H LEU 24 1.789 -9.852 -2.814 197 HA LEU 24 HA LEU 24 4.279 -9.492 -4.111 198 1HB LEU 24 2HB LEU 24 2.686 -8.075 -2.194 199 2HB LEU 24 1HB LEU 24 4.357 -8.092 -1.629 200 HG LEU 24 HG LEU 24 4.876 -7.501 -4.159 201 1HD1 LEU 24 1HD1 LEU 24 2.869 -7.427 -5.276 202 2HD1 LEU 24 2HD1 LEU 24 2.872 -5.772 -4.665 203 3HD1 LEU 24 3HD1 LEU 24 1.957 -7.021 -3.821 204 1HD2 LEU 24 1HD2 LEU 24 5.051 -5.218 -3.509 205 2HD2 LEU 24 2HD2 LEU 24 5.215 -6.127 -2.007 206 3HD2 LEU 24 3HD2 LEU 24 3.683 -5.347 -2.403 207 H GLU 25 H GLU 25 3.475 -11.330 -1.286 208 HA GLU 25 HA GLU 25 6.146 -11.369 -0.148 209 1HB GLU 25 2HB GLU 25 3.872 -11.935 0.993 210 2HB GLU 25 1HB GLU 25 4.095 -13.533 0.280 211 1HG GLU 25 2HG GLU 25 6.471 -13.433 1.319 212 2HG GLU 25 1HG GLU 25 5.822 -12.125 2.310 213 H GLN 26 H GLN 26 4.250 -13.918 -1.815 214 HA GLN 26 HA GLN 26 6.621 -15.539 -2.249 215 1HB GLN 26 2HB GLN 26 3.995 -15.794 -3.725 216 2HB GLN 26 1HB GLN 26 5.169 -17.061 -3.367 217 1HG GLN 26 2HG GLN 26 4.713 -16.772 -0.943 218 2HG GLN 26 1HG GLN 26 3.491 -15.561 -1.335 219 1HE2 GLN 26 1HE2 GLN 26 3.319 -18.433 -0.150 220 2HE2 GLN 26 2HE2 GLN 26 2.129 -19.180 -1.102 221 H SER 27 H SER 27 5.643 -12.704 -3.666 222 HA SER 27 HA SER 27 5.935 -13.105 -6.444 223 1HB SER 27 2HB SER 27 6.288 -10.822 -4.584 224 2HB SER 27 1HB SER 27 7.107 -10.678 -6.137 225 HG SER 27 HG SER 27 4.357 -11.244 -5.690 226 H GLY 28 H GLY 28 8.433 -12.539 -3.967 227 1HA GLY 28 2HA GLY 28 10.451 -14.130 -4.662 228 2HA GLY 28 1HA GLY 28 10.541 -12.988 -6.005 229 H LEU 29 H LEU 29 10.644 -10.614 -5.303 230 HA LEU 29 HA LEU 29 12.870 -10.260 -3.521 231 1HB LEU 29 2HB LEU 29 11.236 -8.600 -5.265 232 2HB LEU 29 1HB LEU 29 11.602 -7.772 -3.751 233 HG LEU 29 HG LEU 29 14.035 -8.616 -4.150 234 1HD1 LEU 29 1HD1 LEU 29 12.707 -9.020 -6.827 235 2HD1 LEU 29 2HD1 LEU 29 13.795 -10.106 -5.962 236 3HD1 LEU 29 3HD1 LEU 29 14.427 -8.644 -6.719 237 1HD2 LEU 29 1HD2 LEU 29 14.549 -6.538 -5.084 238 2HD2 LEU 29 2HD2 LEU 29 12.932 -6.237 -4.448 239 3HD2 LEU 29 3HD2 LEU 29 13.157 -6.567 -6.166 240 H GLU 30 H GLU 30 12.849 -9.046 -1.484 241 HA GLU 30 HA GLU 30 10.504 -9.767 0.160 242 1HB GLU 30 2HB GLU 30 13.066 -9.976 0.774 243 2HB GLU 30 1HB GLU 30 12.882 -8.283 1.231 244 1HG GLU 30 2HG GLU 30 12.195 -9.150 3.224 245 2HG GLU 30 1HG GLU 30 10.659 -9.363 2.384 246 H TRP 31 H TRP 31 8.885 -8.321 0.464 247 HA TRP 31 HA TRP 31 9.379 -5.470 -0.170 248 1HB TRP 31 2HB TRP 31 6.983 -5.230 -0.202 249 2HB TRP 31 1HB TRP 31 7.362 -6.723 -1.060 250 HD1 TRP 31 HD1 TRP 31 7.139 -9.034 0.431 251 HE1 TRP 31 HE1 TRP 31 5.431 -9.616 2.272 252 HE3 TRP 31 HE3 TRP 31 5.518 -4.344 1.645 253 HZ2 TRP 31 HZ2 TRP 31 3.617 -8.271 4.027 254 HZ3 TRP 31 HZ3 TRP 31 3.801 -4.023 3.405 255 HH2 TRP 31 HH2 TRP 31 2.849 -5.980 4.596 256 H ARG 32 H ARG 32 8.623 -3.801 1.352 257 HA ARG 32 HA ARG 32 8.453 -4.713 4.183 258 1HB ARG 32 2HB ARG 32 10.706 -3.420 2.991 259 2HB ARG 32 1HB ARG 32 9.941 -2.270 4.087 260 1HG ARG 32 2HG ARG 32 10.676 -3.396 5.894 261 2HG ARG 32 1HG ARG 32 10.032 -4.917 5.273 262 1HD ARG 32 2HD ARG 32 12.403 -4.011 3.812 263 2HD ARG 32 1HD ARG 32 12.721 -4.297 5.522 264 HE ARG 32 HE ARG 32 12.095 -6.336 3.537 265 1HH1 ARG 32 1HH2 ARG 32 9.999 -6.769 5.582 266 2HH1 ARG 32 2HH2 ARG 32 10.796 -7.786 6.737 267 1HH2 ARG 32 2HH1 ARG 32 13.981 -7.063 5.570 268 2HH2 ARG 32 1HH1 ARG 32 13.051 -7.953 6.730 269 HA PRO 33 HA PRO 33 5.260 -1.677 4.246 270 1HB PRO 33 2HB PRO 33 4.975 -1.517 6.976 271 2HB PRO 33 1HB PRO 33 4.365 -2.870 6.008 272 1HG PRO 33 2HG PRO 33 6.737 -2.775 7.812 273 2HG PRO 33 1HG PRO 33 5.748 -4.164 7.329 274 1HD PRO 33 2HD PRO 33 8.296 -3.488 6.283 275 2HD PRO 33 1HD PRO 33 7.168 -4.682 5.606 276 H ALA 34 H ALA 34 5.419 0.537 4.068 277 HA ALA 34 HA ALA 34 7.588 1.893 5.615 278 1HB ALA 34 1HB ALA 34 7.916 3.346 3.823 279 2HB ALA 34 2HB ALA 34 6.277 3.123 3.210 280 3HB ALA 34 3HB ALA 34 7.485 1.858 2.981 281 H THR 35 H THR 35 7.062 4.204 6.201 282 HA THR 35 HA THR 35 4.491 4.302 7.550 283 HB THR 35 HB THR 35 5.536 6.889 7.592 284 HG1 THR 35 HG1 THR 35 7.694 6.675 7.729 285 1HG2 THR 35 1HG2 THR 35 6.508 6.015 9.840 286 2HG2 THR 35 2HG2 THR 35 5.748 4.487 9.393 287 3HG2 THR 35 3HG2 THR 35 4.763 5.937 9.594 288 HA PRO 36 HA PRO 36 2.137 6.562 4.609 289 1HB PRO 36 2HB PRO 36 0.796 8.350 6.206 290 2HB PRO 36 1HB PRO 36 0.434 6.617 6.164 291 1HG PRO 36 2HG PRO 36 1.839 8.186 8.270 292 2HG PRO 36 1HG PRO 36 0.946 6.663 8.414 293 1HD PRO 36 2HD PRO 36 3.772 6.949 8.324 294 2HD PRO 36 1HD PRO 36 2.861 5.428 8.193 295 H GLU 37 H GLU 37 4.831 7.624 4.769 296 HA GLU 37 HA GLU 37 4.312 10.329 3.783 297 1HB GLU 37 2HB GLU 37 4.516 10.579 6.295 298 2HB GLU 37 1HB GLU 37 6.175 9.999 6.148 299 1HG GLU 37 2HG GLU 37 6.154 11.920 4.221 300 2HG GLU 37 1HG GLU 37 5.017 12.612 5.378 301 H ASP 38 H ASP 38 7.086 8.462 5.082 302 HA ASP 38 HA ASP 38 8.655 9.212 2.698 303 1HB ASP 38 2HB ASP 38 9.350 7.646 5.198 304 2HB ASP 38 1HB ASP 38 10.492 7.973 3.893 305 H ALA 39 H ALA 39 6.319 7.336 2.525 306 HA ALA 39 HA ALA 39 7.260 4.650 2.189 307 1HB ALA 39 1HB ALA 39 4.884 6.196 1.185 308 2HB ALA 39 2HB ALA 39 4.927 4.817 2.285 309 3HB ALA 39 3HB ALA 39 5.204 4.579 0.559 310 H ASP 40 H ASP 40 8.386 3.728 0.521 311 HA ASP 40 HA ASP 40 9.549 5.419 -1.515 312 1HB ASP 40 2HB ASP 40 10.064 2.869 -0.444 313 2HB ASP 40 1HB ASP 40 9.703 2.596 -2.150 314 H ALA 41 H ALA 41 6.835 3.154 -1.443 315 HA ALA 41 HA ALA 41 5.971 4.234 -4.063 316 1HB ALA 41 1HB ALA 41 6.373 1.281 -3.501 317 2HB ALA 41 2HB ALA 41 7.231 2.251 -4.698 318 3HB ALA 41 3HB ALA 41 5.511 1.919 -4.901 319 H VAL 42 H VAL 42 3.747 4.416 -4.171 320 HA VAL 42 HA VAL 42 2.233 3.339 -1.828 321 HB VAL 42 HB VAL 42 1.406 5.556 -3.724 322 1HG1 VAL 42 1HG1 VAL 42 0.410 5.368 -0.938 323 2HG1 VAL 42 2HG1 VAL 42 -0.138 4.095 -2.028 324 3HG1 VAL 42 3HG1 VAL 42 -0.454 5.786 -2.418 325 1HG2 VAL 42 1HG2 VAL 42 2.332 7.132 -2.259 326 2HG2 VAL 42 2HG2 VAL 42 3.556 5.861 -2.244 327 3HG2 VAL 42 3HG2 VAL 42 2.400 5.988 -0.917 328 H ILE 43 H ILE 43 1.257 1.444 -2.384 329 HA ILE 43 HA ILE 43 0.326 1.052 -5.170 330 HB ILE 43 HB ILE 43 0.515 -0.806 -2.784 331 1HG1 ILE 43 2HG1 ILE 43 1.931 -0.773 -5.469 332 2HG1 ILE 43 1HG1 ILE 43 2.634 -0.214 -3.951 333 1HG2 ILE 43 1HG2 ILE 43 -1.202 -0.965 -5.072 334 2HG2 ILE 43 2HG2 ILE 43 -0.976 -2.156 -3.792 335 3HG2 ILE 43 3HG2 ILE 43 0.046 -2.201 -5.227 336 1HD1 ILE 43 1HD1 ILE 43 3.311 -2.546 -4.485 337 2HD1 ILE 43 2HD1 ILE 43 1.612 -3.024 -4.455 338 3HD1 ILE 43 3HD1 ILE 43 2.393 -2.449 -2.982 339 H VAL 44 H VAL 44 -1.551 2.340 -5.284 340 HA VAL 44 HA VAL 44 -3.641 1.985 -3.224 341 HB VAL 44 HB VAL 44 -4.079 3.560 -5.735 342 1HG1 VAL 44 1HG1 VAL 44 -5.431 4.899 -4.320 343 2HG1 VAL 44 2HG1 VAL 44 -4.643 4.299 -2.862 344 3HG1 VAL 44 3HG1 VAL 44 -5.726 3.248 -3.775 345 1HG2 VAL 44 1HG2 VAL 44 -2.947 5.489 -4.380 346 2HG2 VAL 44 2HG2 VAL 44 -1.921 4.380 -5.289 347 3HG2 VAL 44 3HG2 VAL 44 -2.104 4.185 -3.545 348 H LEU 45 H LEU 45 -5.158 0.419 -3.445 349 HA LEU 45 HA LEU 45 -5.386 -1.060 -5.966 350 1HB LEU 45 2HB LEU 45 -6.645 -1.314 -3.235 351 2HB LEU 45 1HB LEU 45 -7.232 -2.266 -4.599 352 HG LEU 45 HG LEU 45 -5.498 -3.466 -3.258 353 1HD1 LEU 45 1HD1 LEU 45 -5.503 -2.963 -6.117 354 2HD1 LEU 45 2HD1 LEU 45 -5.208 -4.473 -5.254 355 3HD1 LEU 45 3HD1 LEU 45 -3.879 -3.354 -5.551 356 1HD2 LEU 45 1HD2 LEU 45 -3.504 -1.508 -4.393 357 2HD2 LEU 45 2HD2 LEU 45 -3.290 -2.660 -3.074 358 3HD2 LEU 45 3HD2 LEU 45 -4.263 -1.210 -2.829 359 H ALA 46 H ALA 46 -6.749 -0.440 -7.565 360 HA ALA 46 HA ALA 46 -8.637 1.718 -7.195 361 1HB ALA 46 1HB ALA 46 -7.929 1.675 -9.390 362 2HB ALA 46 2HB ALA 46 -9.400 0.717 -9.561 363 3HB ALA 46 3HB ALA 46 -7.835 -0.085 -9.434 364 H GLY 47 H GLY 47 -8.799 -1.616 -6.556 365 1HA GLY 47 2HA GLY 47 -11.761 -1.661 -6.847 366 2HA GLY 47 1HA GLY 47 -10.743 -3.079 -6.590 367 H LEU 48 H LEU 48 -10.332 -0.123 -4.739 368 HA LEU 48 HA LEU 48 -11.485 -1.543 -2.371 369 1HB LEU 48 2HB LEU 48 -8.800 -0.579 -2.807 370 2HB LEU 48 1HB LEU 48 -9.535 0.288 -1.459 371 HG LEU 48 HG LEU 48 -9.880 -2.683 -1.610 372 1HD1 LEU 48 1HD1 LEU 48 -7.665 -3.072 -1.485 373 2HD1 LEU 48 2HD1 LEU 48 -7.639 -2.173 0.032 374 3HD1 LEU 48 3HD1 LEU 48 -7.324 -1.342 -1.491 375 1HD2 LEU 48 1HD2 LEU 48 -9.230 -1.150 0.865 376 2HD2 LEU 48 2HD2 LEU 48 -10.371 -2.474 0.633 377 3HD2 LEU 48 3HD2 LEU 48 -10.798 -0.842 0.118 378 H TRP 49 H TRP 49 -11.328 1.367 -4.245 379 HA TRP 49 HA TRP 49 -12.221 3.200 -2.216 380 1HB TRP 49 2HB TRP 49 -12.843 4.671 -4.079 381 2HB TRP 49 1HB TRP 49 -11.260 3.957 -4.370 382 HD1 TRP 49 HD1 TRP 49 -14.909 2.849 -5.137 383 HE1 TRP 49 HE1 TRP 49 -14.977 1.987 -7.562 384 HE3 TRP 49 HE3 TRP 49 -10.023 3.546 -6.457 385 HZ2 TRP 49 HZ2 TRP 49 -13.197 1.644 -9.776 386 HZ3 TRP 49 HZ3 TRP 49 -9.238 2.947 -8.732 387 HH2 TRP 49 HH2 TRP 49 -10.818 1.997 -10.390 388 H GLY 50 H GLY 50 -13.825 0.735 -4.042 389 1HA GLY 50 2HA GLY 50 -16.500 1.750 -3.933 390 2HA GLY 50 1HA GLY 50 -16.068 0.045 -4.077 391 H THR 51 H THR 51 -14.403 0.605 -1.482 392 HA THR 51 HA THR 51 -16.714 0.141 0.353 393 HB THR 51 HB THR 51 -15.428 -1.362 1.536 394 HG1 THR 51 HG1 THR 51 -13.441 -0.922 2.109 395 1HG2 THR 51 1HG2 THR 51 -13.804 -1.394 -1.014 396 2HG2 THR 51 2HG2 THR 51 -15.457 -2.004 -0.931 397 3HG2 THR 51 3HG2 THR 51 -14.190 -2.755 0.039 398 H ARG 52 H ARG 52 -13.505 1.709 0.204 399 HA ARG 52 HA ARG 52 -14.557 3.737 2.132 400 1HB ARG 52 2HB ARG 52 -11.658 2.915 2.079 401 2HB ARG 52 1HB ARG 52 -12.552 3.726 3.366 402 1HG ARG 52 2HG ARG 52 -13.980 1.408 3.120 403 2HG ARG 52 1HG ARG 52 -12.351 0.846 2.742 404 1HD ARG 52 2HD ARG 52 -13.002 0.795 5.212 405 2HD ARG 52 1HD ARG 52 -11.494 1.622 4.830 406 HE ARG 52 HE ARG 52 -12.604 3.741 5.237 407 1HH1 ARG 52 2HH1 ARG 52 -15.030 1.428 4.871 408 2HH1 ARG 52 1HH1 ARG 52 -16.030 2.027 6.151 409 1HH2 ARG 52 1HH2 ARG 52 -13.680 4.317 7.272 410 2HH2 ARG 52 2HH2 ARG 52 -15.265 3.662 7.511 411 H ARG 53 H ARG 53 -14.944 4.532 -0.284 412 HA ARG 53 HA ARG 53 -12.851 5.438 -1.927 413 1HB ARG 53 2HB ARG 53 -15.463 5.566 -2.214 414 2HB ARG 53 1HB ARG 53 -15.272 7.163 -1.490 415 1HG ARG 53 2HG ARG 53 -14.219 8.014 -3.327 416 2HG ARG 53 1HG ARG 53 -13.347 6.514 -3.644 417 1HD ARG 53 2HD ARG 53 -15.966 5.786 -4.118 418 2HD ARG 53 1HD ARG 53 -15.918 7.443 -4.719 419 HE ARG 53 HE ARG 53 -13.636 6.253 -5.776 420 1HH1 ARG 53 2HH1 ARG 53 -17.044 5.695 -5.775 421 2HH1 ARG 53 1HH1 ARG 53 -17.046 4.912 -7.318 422 1HH2 ARG 53 1HH2 ARG 53 -13.624 5.209 -7.778 423 2HH2 ARG 53 2HH2 ARG 53 -15.114 4.636 -8.450 424 H ASP 54 H ASP 54 -13.898 6.627 1.166 425 HA ASP 54 HA ASP 54 -12.689 9.256 0.921 426 1HB ASP 54 2HB ASP 54 -13.706 7.606 3.233 427 2HB ASP 54 1HB ASP 54 -12.864 9.133 3.504 428 H GLU 55 H GLU 55 -11.686 6.194 2.471 429 HA GLU 55 HA GLU 55 -9.188 7.132 3.460 430 1HB GLU 55 2HB GLU 55 -10.552 4.699 3.437 431 2HB GLU 55 1HB GLU 55 -9.083 4.371 2.516 432 1HG GLU 55 2HG GLU 55 -9.005 5.822 5.164 433 2HG GLU 55 1HG GLU 55 -8.943 4.062 5.067 434 H ILE 56 H ILE 56 -9.996 5.567 0.348 435 HA ILE 56 HA ILE 56 -7.367 5.541 -0.722 436 HB ILE 56 HB ILE 56 -9.966 5.958 -2.230 437 1HG1 ILE 56 2HG1 ILE 56 -10.038 3.973 -0.762 438 2HG1 ILE 56 1HG1 ILE 56 -9.951 3.493 -2.456 439 1HG2 ILE 56 1HG2 ILE 56 -8.208 6.364 -3.751 440 2HG2 ILE 56 2HG2 ILE 56 -8.562 4.651 -3.981 441 3HG2 ILE 56 3HG2 ILE 56 -7.170 5.142 -3.016 442 1HD1 ILE 56 1HD1 ILE 56 -8.158 2.242 -1.897 443 2HD1 ILE 56 2HD1 ILE 56 -8.060 2.984 -0.300 444 3HD1 ILE 56 3HD1 ILE 56 -7.280 3.756 -1.681 445 H LEU 57 H LEU 57 -9.937 7.999 -1.214 446 HA LEU 57 HA LEU 57 -8.451 9.842 -2.714 447 1HB LEU 57 2HB LEU 57 -10.837 10.160 -2.243 448 2HB LEU 57 1HB LEU 57 -10.481 10.428 -0.536 449 HG LEU 57 HG LEU 57 -8.895 12.308 -1.428 450 1HD1 LEU 57 1HD1 LEU 57 -10.862 12.604 -3.632 451 2HD1 LEU 57 2HD1 LEU 57 -9.638 11.352 -3.852 452 3HD1 LEU 57 3HD1 LEU 57 -9.150 13.026 -3.586 453 1HD2 LEU 57 1HD2 LEU 57 -11.922 12.518 -1.494 454 2HD2 LEU 57 2HD2 LEU 57 -10.826 13.899 -1.426 455 3HD2 LEU 57 3HD2 LEU 57 -10.886 12.753 -0.086 456 H GLY 58 H GLY 58 -8.283 9.123 0.719 457 1HA GLY 58 2HA GLY 58 -6.725 11.437 1.463 458 2HA GLY 58 1HA GLY 58 -6.849 9.942 2.395 459 H ALA 59 H ALA 59 -5.835 8.058 0.695 460 HA ALA 59 HA ALA 59 -3.047 8.279 0.965 461 1HB ALA 59 1HB ALA 59 -4.116 6.782 -1.393 462 2HB ALA 59 2HB ALA 59 -4.638 6.270 0.212 463 3HB ALA 59 3HB ALA 59 -2.922 6.280 -0.195 464 H VAL 60 H VAL 60 -5.070 9.019 -1.878 465 HA VAL 60 HA VAL 60 -2.886 9.898 -3.529 466 HB VAL 60 HB VAL 60 -5.856 10.497 -3.595 467 1HG1 VAL 60 1HG1 VAL 60 -5.408 11.342 -5.902 468 2HG1 VAL 60 2HG1 VAL 60 -3.679 11.222 -5.580 469 3HG1 VAL 60 3HG1 VAL 60 -4.671 12.350 -4.656 470 1HG2 VAL 60 1HG2 VAL 60 -5.641 9.004 -5.652 471 2HG2 VAL 60 2HG2 VAL 60 -5.394 8.199 -4.103 472 3HG2 VAL 60 3HG2 VAL 60 -4.008 8.631 -5.104 473 H ASP 61 H ASP 61 -4.841 11.444 -1.061 474 HA ASP 61 HA ASP 61 -4.284 14.167 -1.666 475 1HB ASP 61 2HB ASP 61 -5.902 13.289 0.089 476 2HB ASP 61 1HB ASP 61 -4.502 12.998 1.120 477 H LEU 62 H LEU 62 -2.490 11.811 0.318 478 HA LEU 62 HA LEU 62 -0.364 13.684 0.954 479 1HB LEU 62 2HB LEU 62 -1.061 11.464 2.167 480 2HB LEU 62 1HB LEU 62 -0.004 10.697 0.981 481 HG LEU 62 HG LEU 62 1.049 13.096 2.410 482 1HD1 LEU 62 1HD1 LEU 62 0.094 11.894 4.274 483 2HD1 LEU 62 2HD1 LEU 62 1.827 11.568 4.266 484 3HD1 LEU 62 3HD1 LEU 62 0.699 10.356 3.658 485 1HD2 LEU 62 1HD2 LEU 62 2.027 11.123 0.672 486 2HD2 LEU 62 2HD2 LEU 62 2.703 10.707 2.247 487 3HD2 LEU 62 3HD2 LEU 62 2.987 12.307 1.559 488 H ALA 63 H ALA 63 -0.852 11.168 -1.499 489 HA ALA 63 HA ALA 63 1.815 11.319 -2.584 490 1HB ALA 63 1HB ALA 63 0.643 9.372 -3.192 491 2HB ALA 63 2HB ALA 63 0.579 10.342 -4.664 492 3HB ALA 63 3HB ALA 63 -0.821 10.269 -3.594 493 H ARG 64 H ARG 64 -0.862 13.433 -2.724 494 HA ARG 64 HA ARG 64 -0.477 14.565 -5.332 495 1HB ARG 64 2HB ARG 64 -1.820 15.420 -2.801 496 2HB ARG 64 1HB ARG 64 -1.498 16.652 -4.021 497 1HG ARG 64 2HG ARG 64 -2.602 14.172 -5.140 498 2HG ARG 64 1HG ARG 64 -3.690 14.974 -4.006 499 1HD ARG 64 2HD ARG 64 -2.299 16.440 -6.258 500 2HD ARG 64 1HD ARG 64 -3.902 15.725 -6.427 501 HE ARG 64 HE ARG 64 -4.119 17.292 -4.154 502 1HH1 ARG 64 1HH2 ARG 64 -3.722 17.603 -7.536 503 2HH1 ARG 64 2HH2 ARG 64 -3.921 19.324 -7.548 504 1HH2 ARG 64 2HH1 ARG 64 -4.099 19.594 -4.096 505 2HH2 ARG 64 1HH1 ARG 64 -4.133 20.451 -5.601 506 H LYS 65 H LYS 65 1.414 14.700 -2.489 507 HA LYS 65 HA LYS 65 2.558 17.312 -2.750 508 1HB LYS 65 2HB LYS 65 2.824 15.235 -0.964 509 2HB LYS 65 1HB LYS 65 4.379 15.202 -1.796 510 1HG LYS 65 2HG LYS 65 4.737 16.734 -0.042 511 2HG LYS 65 1HG LYS 65 4.389 17.773 -1.425 512 1HD LYS 65 2HD LYS 65 2.855 18.710 -0.024 513 2HD LYS 65 1HD LYS 65 1.870 17.320 -0.483 514 1HE LYS 65 2HE LYS 65 1.826 17.323 1.889 515 2HE LYS 65 1HE LYS 65 3.010 16.087 1.467 516 1HZ LYS 65 1HZ LYS 65 4.723 17.897 1.667 517 2HZ LYS 65 2HZ LYS 65 3.999 17.405 3.123 518 3HZ LYS 65 3HZ LYS 65 3.521 18.857 2.382 519 H SER 66 H SER 66 2.792 14.571 -4.743 520 HA SER 66 HA SER 66 4.025 14.254 -6.722 521 1HB SER 66 2HB SER 66 3.943 16.973 -6.480 522 2HB SER 66 1HB SER 66 5.679 16.686 -6.400 523 HG SER 66 HG SER 66 5.413 16.659 -8.510 524 H SER 67 H SER 67 4.897 13.203 -4.211 525 HA SER 67 HA SER 67 7.869 13.396 -4.484 526 1HB SER 67 2HB SER 67 6.401 13.827 -2.229 527 2HB SER 67 1HB SER 67 6.730 12.103 -2.076 528 HG SER 67 HG SER 67 8.703 12.601 -1.586 529 H LYS 68 H LYS 68 5.563 10.956 -3.223 530 HA LYS 68 HA LYS 68 7.219 8.852 -4.489 531 1HB LYS 68 2HB LYS 68 4.732 8.352 -2.865 532 2HB LYS 68 1HB LYS 68 6.154 7.324 -3.055 533 1HG LYS 68 2HG LYS 68 5.948 9.910 -1.493 534 2HG LYS 68 1HG LYS 68 6.297 8.299 -0.864 535 1HD LYS 68 2HD LYS 68 8.247 8.621 -2.791 536 2HD LYS 68 1HD LYS 68 8.103 10.245 -2.117 537 1HE LYS 68 2HE LYS 68 8.019 8.584 0.119 538 2HE LYS 68 1HE LYS 68 9.239 7.841 -0.914 539 1HZ LYS 68 1HZ LYS 68 10.317 10.005 -1.115 540 2HZ LYS 68 2HZ LYS 68 10.229 9.505 0.506 541 3HZ LYS 68 3HZ LYS 68 9.160 10.689 -0.079 542 HA PRO 69 HA PRO 69 4.417 8.286 -7.819 543 1HB PRO 69 2HB PRO 69 5.002 5.665 -8.408 544 2HB PRO 69 1HB PRO 69 6.070 7.020 -8.809 545 1HG PRO 69 2HG PRO 69 6.356 4.979 -6.655 546 2HG PRO 69 1HG PRO 69 7.609 5.912 -7.490 547 1HD PRO 69 2HD PRO 69 6.596 6.442 -4.900 548 2HD PRO 69 1HD PRO 69 7.596 7.540 -5.877 549 H ILE 70 H ILE 70 2.303 7.543 -8.140 550 HA ILE 70 HA ILE 70 1.164 5.865 -5.954 551 HB ILE 70 HB ILE 70 -0.549 7.258 -7.975 552 1HG1 ILE 70 2HG1 ILE 70 0.865 8.640 -5.671 553 2HG1 ILE 70 1HG1 ILE 70 1.142 8.952 -7.385 554 1HG2 ILE 70 1HG2 ILE 70 -0.688 6.361 -5.124 555 2HG2 ILE 70 2HG2 ILE 70 -1.864 6.156 -6.421 556 3HG2 ILE 70 3HG2 ILE 70 -1.696 7.719 -5.622 557 1HD1 ILE 70 1HD1 ILE 70 -1.199 9.687 -5.679 558 2HD1 ILE 70 2HD1 ILE 70 -1.498 9.314 -7.376 559 3HD1 ILE 70 3HD1 ILE 70 -0.395 10.619 -6.941 560 H ILE 71 H ILE 71 1.734 3.796 -6.791 561 HA ILE 71 HA ILE 71 1.021 3.078 -9.537 562 HB ILE 71 HB ILE 71 2.030 1.480 -7.172 563 1HG1 ILE 71 2HG1 ILE 71 3.629 1.441 -9.577 564 2HG1 ILE 71 1HG1 ILE 71 3.276 3.109 -9.124 565 1HG2 ILE 71 1HG2 ILE 71 1.533 0.534 -10.010 566 2HG2 ILE 71 2HG2 ILE 71 0.536 0.104 -8.620 567 3HG2 ILE 71 3HG2 ILE 71 2.218 -0.424 -8.697 568 1HD1 ILE 71 1HD1 ILE 71 5.360 2.144 -8.055 569 2HD1 ILE 71 2HD1 ILE 71 4.309 1.042 -7.168 570 3HD1 ILE 71 3HD1 ILE 71 4.175 2.782 -6.915 571 H THR 72 H THR 72 -1.070 2.708 -10.072 572 HA THR 72 HA THR 72 -2.947 1.781 -7.961 573 HB THR 72 HB THR 72 -4.661 2.282 -9.825 574 HG1 THR 72 HG1 THR 72 -3.738 2.689 -11.654 575 1HG2 THR 72 1HG2 THR 72 -4.732 4.591 -9.228 576 2HG2 THR 72 2HG2 THR 72 -2.994 4.643 -8.939 577 3HG2 THR 72 3HG2 THR 72 -4.046 3.757 -7.836 578 H VAL 73 H VAL 73 -3.980 -0.205 -8.101 579 HA VAL 73 HA VAL 73 -3.088 -1.972 -10.343 580 HB VAL 73 HB VAL 73 -4.107 -2.826 -7.620 581 1HG1 VAL 73 1HG1 VAL 73 -3.688 -4.220 -10.030 582 2HG1 VAL 73 2HG1 VAL 73 -3.941 -4.921 -8.432 583 3HG1 VAL 73 3HG1 VAL 73 -2.304 -4.618 -9.011 584 1HG2 VAL 73 1HG2 VAL 73 -1.269 -2.453 -8.628 585 2HG2 VAL 73 2HG2 VAL 73 -1.695 -3.272 -7.126 586 3HG2 VAL 73 3HG2 VAL 73 -2.043 -1.555 -7.322 587 H ARG 74 H ARG 74 -4.654 -2.766 -11.681 588 HA ARG 74 HA ARG 74 -7.245 -1.813 -11.848 589 1HB ARG 74 2HB ARG 74 -5.992 -4.408 -12.677 590 2HB ARG 74 1HB ARG 74 -7.739 -4.218 -12.839 591 1HG ARG 74 2HG ARG 74 -7.064 -1.907 -13.939 592 2HG ARG 74 1HG ARG 74 -5.535 -2.738 -14.230 593 1HD ARG 74 2HD ARG 74 -7.240 -4.667 -15.039 594 2HD ARG 74 1HD ARG 74 -8.217 -3.245 -15.406 595 HE ARG 74 HE ARG 74 -5.923 -2.504 -16.572 596 1HH1 ARG 74 1HH2 ARG 74 -5.948 -5.761 -16.088 597 2HH1 ARG 74 2HH2 ARG 74 -5.985 -6.219 -17.759 598 1HH2 ARG 74 2HH1 ARG 74 -6.622 -3.005 -18.898 599 2HH2 ARG 74 1HH1 ARG 74 -6.367 -4.658 -19.350 600 HA PRO 75 HA PRO 75 -9.520 -3.553 -8.528 601 1HB PRO 75 2HB PRO 75 -12.015 -3.635 -9.682 602 2HB PRO 75 1HB PRO 75 -11.240 -2.141 -9.130 603 1HG PRO 75 2HG PRO 75 -11.621 -3.139 -11.915 604 2HG PRO 75 1HG PRO 75 -11.458 -1.475 -11.332 605 1HD PRO 75 2HD PRO 75 -9.423 -2.996 -12.574 606 2HD PRO 75 1HD PRO 75 -9.193 -1.476 -11.684 607 H TYR 76 H TYR 76 -10.257 -5.581 -7.785 608 HA TYR 76 HA TYR 76 -9.660 -7.890 -9.392 609 1HB TYR 76 2HB TYR 76 -9.569 -7.851 -6.895 610 2HB TYR 76 1HB TYR 76 -11.329 -7.743 -6.863 611 HD1 TYR 76 HD1 TYR 76 -12.069 -9.818 -6.022 612 HD2 TYR 76 HD2 TYR 76 -9.097 -9.716 -9.123 613 HE1 TYR 76 HE1 TYR 76 -12.222 -12.284 -6.248 614 HE2 TYR 76 HE2 TYR 76 -9.251 -12.183 -9.351 615 HH TYR 76 HH TYR 76 -10.334 -14.023 -8.720 616 H GLY 77 H GLY 77 -12.350 -5.832 -9.338 617 1HA GLY 77 2HA GLY 77 -14.445 -7.740 -9.870 618 2HA GLY 77 1HA GLY 77 -14.510 -6.017 -10.247 619 H LEU 78 H LEU 78 -13.929 -5.324 -12.331 620 HA LEU 78 HA LEU 78 -13.075 -7.440 -14.250 621 1HB LEU 78 2HB LEU 78 -15.380 -5.502 -14.618 622 2HB LEU 78 1HB LEU 78 -14.712 -6.509 -15.904 623 HG LEU 78 HG LEU 78 -15.143 -8.500 -14.336 624 1HD1 LEU 78 1HD1 LEU 78 -16.034 -6.296 -12.697 625 2HD1 LEU 78 2HD1 LEU 78 -15.885 -8.001 -12.270 626 3HD1 LEU 78 3HD1 LEU 78 -17.375 -7.401 -12.996 627 1HD2 LEU 78 1HD2 LEU 78 -17.838 -7.724 -14.827 628 2HD2 LEU 78 2HD2 LEU 78 -16.822 -8.776 -15.813 629 3HD2 LEU 78 3HD2 LEU 78 -16.856 -7.041 -16.123 630 H GLU 79 H GLU 79 -14.142 -4.246 -15.216 631 HA GLU 79 HA GLU 79 -11.461 -3.090 -15.134 632 1HB GLU 79 2HB GLU 79 -11.195 -2.893 -17.552 633 2HB GLU 79 1HB GLU 79 -11.374 -4.596 -17.130 634 1HG GLU 79 2HG GLU 79 -13.979 -3.923 -17.489 635 2HG GLU 79 1HG GLU 79 -13.213 -2.821 -18.634 636 H ASN 80 H ASN 80 -12.328 -1.412 -17.531 637 HA ASN 80 HA ASN 80 -13.593 0.528 -17.928 638 1HB ASN 80 2HB ASN 80 -15.456 -0.207 -15.689 639 2HB ASN 80 1HB ASN 80 -15.820 0.572 -17.230 640 1HD2 ASN 80 1HD2 ASN 80 -14.988 -1.043 -19.182 641 2HD2 ASN 80 2HD2 ASN 80 -15.579 -2.626 -19.028 642 H VAL 81 H VAL 81 -11.382 0.943 -16.476 643 HA VAL 81 HA VAL 81 -11.864 2.046 -13.844 644 HB VAL 81 HB VAL 81 -9.579 2.850 -13.973 645 1HG1 VAL 81 1HG1 VAL 81 -10.077 0.167 -15.271 646 2HG1 VAL 81 2HG1 VAL 81 -9.643 0.504 -13.595 647 3HG1 VAL 81 3HG1 VAL 81 -8.451 0.723 -14.876 648 1HG2 VAL 81 1HG2 VAL 81 -9.929 2.352 -16.941 649 2HG2 VAL 81 2HG2 VAL 81 -8.349 2.576 -16.189 650 3HG2 VAL 81 3HG2 VAL 81 -9.540 3.876 -16.144 651 HA PRO 82 HA PRO 82 -13.414 5.972 -15.104 652 1HB PRO 82 2HB PRO 82 -13.017 7.289 -12.723 653 2HB PRO 82 1HB PRO 82 -14.329 6.128 -12.995 654 1HG PRO 82 2HG PRO 82 -11.809 5.784 -11.436 655 2HG PRO 82 1HG PRO 82 -13.368 4.965 -11.244 656 1HD PRO 82 2HD PRO 82 -11.069 3.883 -12.497 657 2HD PRO 82 1HD PRO 82 -12.717 3.221 -12.580 658 HA PRO 83 HA PRO 83 -9.789 8.286 -16.166 659 1HB PRO 83 2HB PRO 83 -11.072 10.538 -17.083 660 2HB PRO 83 1HB PRO 83 -10.970 9.027 -18.004 661 1HG PRO 83 2HG PRO 83 -13.301 10.179 -16.540 662 2HG PRO 83 1HG PRO 83 -13.279 9.086 -17.933 663 1HD PRO 83 2HD PRO 83 -13.770 8.335 -15.250 664 2HD PRO 83 1HD PRO 83 -13.408 7.230 -16.594 665 H GLU 84 H GLU 84 -11.975 9.132 -13.696 666 HA GLU 84 HA GLU 84 -10.893 11.720 -12.986 667 1HB GLU 84 2HB GLU 84 -13.143 10.795 -12.257 668 2HB GLU 84 1HB GLU 84 -12.266 9.754 -11.137 669 1HG GLU 84 2HG GLU 84 -12.495 11.507 -9.700 670 2HG GLU 84 1HG GLU 84 -11.126 12.174 -10.590 671 H LEU 85 H LEU 85 -10.516 8.512 -11.423 672 HA LEU 85 HA LEU 85 -8.277 9.422 -9.822 673 1HB LEU 85 2HB LEU 85 -9.895 7.444 -9.364 674 2HB LEU 85 1HB LEU 85 -8.861 6.533 -10.465 675 HG LEU 85 HG LEU 85 -7.355 8.070 -8.469 676 1HD1 LEU 85 1HD1 LEU 85 -8.226 5.781 -7.036 677 2HD1 LEU 85 2HD1 LEU 85 -9.677 6.613 -7.596 678 3HD1 LEU 85 3HD1 LEU 85 -8.488 7.475 -6.620 679 1HD2 LEU 85 1HD2 LEU 85 -5.900 6.463 -9.081 680 2HD2 LEU 85 2HD2 LEU 85 -7.156 5.689 -10.047 681 3HD2 LEU 85 3HD2 LEU 85 -6.947 5.245 -8.353 682 H GLU 86 H GLU 86 -8.581 8.587 -13.080 683 HA GLU 86 HA GLU 86 -5.953 7.362 -13.417 684 1HB GLU 86 2HB GLU 86 -8.281 7.841 -15.036 685 2HB GLU 86 1HB GLU 86 -6.862 8.477 -15.869 686 1HG GLU 86 2HG GLU 86 -5.847 6.130 -15.006 687 2HG GLU 86 1HG GLU 86 -7.544 5.671 -15.162 688 H ALA 87 H ALA 87 -7.061 10.533 -12.926 689 HA ALA 87 HA ALA 87 -5.068 11.899 -14.549 690 1HB ALA 87 1HB ALA 87 -5.895 13.614 -12.471 691 2HB ALA 87 2HB ALA 87 -7.303 12.627 -12.862 692 3HB ALA 87 3HB ALA 87 -6.512 13.573 -14.123 693 H VAL 88 H VAL 88 -5.099 10.425 -11.412 694 HA VAL 88 HA VAL 88 -2.480 11.738 -10.798 695 HB VAL 88 HB VAL 88 -2.917 11.369 -8.467 696 1HG1 VAL 88 1HG1 VAL 88 -4.695 12.841 -10.147 697 2HG1 VAL 88 2HG1 VAL 88 -4.278 13.160 -8.464 698 3HG1 VAL 88 3HG1 VAL 88 -5.652 12.124 -8.850 699 1HG2 VAL 88 1HG2 VAL 88 -5.121 10.218 -7.829 700 2HG2 VAL 88 2HG2 VAL 88 -3.845 9.171 -8.450 701 3HG2 VAL 88 3HG2 VAL 88 -5.182 9.647 -9.497 702 H SER 89 H SER 89 -3.578 9.035 -12.188 703 HA SER 89 HA SER 89 -2.066 7.038 -10.665 704 1HB SER 89 2HB SER 89 -4.143 6.480 -11.959 705 2HB SER 89 1HB SER 89 -3.262 6.824 -13.445 706 HG SER 89 HG SER 89 -2.330 4.993 -11.495 707 H SER 90 H SER 90 0.132 7.346 -10.723 708 HA SER 90 HA SER 90 1.485 8.397 -13.078 709 1HB SER 90 2HB SER 90 2.114 8.168 -10.381 710 2HB SER 90 1HB SER 90 3.180 6.994 -11.148 711 HG SER 90 HG SER 90 3.640 8.775 -12.677 712 H GLU 91 H GLU 91 0.823 5.211 -11.747 713 HA GLU 91 HA GLU 91 1.774 4.014 -14.275 714 1HB GLU 91 2HB GLU 91 3.252 3.869 -11.774 715 2HB GLU 91 1HB GLU 91 2.772 2.263 -12.323 716 1HG GLU 91 2HG GLU 91 4.195 2.318 -14.083 717 2HG GLU 91 1HG GLU 91 3.757 3.978 -14.492 718 H VAL 92 H VAL 92 0.853 1.906 -14.633 719 HA VAL 92 HA VAL 92 -1.377 1.254 -12.745 720 HB VAL 92 HB VAL 92 -2.299 0.123 -14.945 721 1HG1 VAL 92 1HG1 VAL 92 -2.994 2.676 -15.579 722 2HG1 VAL 92 2HG1 VAL 92 -2.403 2.905 -13.933 723 3HG1 VAL 92 3HG1 VAL 92 -3.716 1.772 -14.248 724 1HG2 VAL 92 1HG2 VAL 92 -0.804 2.406 -16.209 725 2HG2 VAL 92 2HG2 VAL 92 -1.519 0.987 -16.974 726 3HG2 VAL 92 3HG2 VAL 92 -0.022 0.833 -16.055 727 H VAL 93 H VAL 93 -1.839 -1.040 -12.482 728 HA VAL 93 HA VAL 93 0.298 -2.874 -13.451 729 HB VAL 93 HB VAL 93 -0.657 -2.714 -10.581 730 1HG1 VAL 93 1HG1 VAL 93 0.590 -4.801 -12.112 731 2HG1 VAL 93 2HG1 VAL 93 0.150 -4.807 -10.405 732 3HG1 VAL 93 3HG1 VAL 93 1.734 -4.216 -10.905 733 1HG2 VAL 93 1HG2 VAL 93 1.762 -2.068 -10.188 734 2HG2 VAL 93 2HG2 VAL 93 0.803 -0.851 -11.030 735 3HG2 VAL 93 3HG2 VAL 93 1.920 -1.873 -11.934 736 H GLY 94 H GLY 94 -0.428 -4.990 -13.808 737 1HA GLY 94 2HA GLY 94 -3.381 -5.330 -13.681 738 2HA GLY 94 1HA GLY 94 -2.288 -6.273 -14.697 739 H TRP 95 H TRP 95 -3.418 -8.167 -13.708 740 HA TRP 95 HA TRP 95 -2.769 -8.674 -10.866 741 1HB TRP 95 2HB TRP 95 -4.631 -9.807 -12.869 742 2HB TRP 95 1HB TRP 95 -3.936 -10.975 -11.744 743 HD1 TRP 95 HD1 TRP 95 -6.552 -8.358 -12.010 744 HE1 TRP 95 HE1 TRP 95 -7.645 -7.944 -9.714 745 HE3 TRP 95 HE3 TRP 95 -3.283 -10.889 -9.010 746 HZ2 TRP 95 HZ2 TRP 95 -7.194 -8.602 -6.964 747 HZ3 TRP 95 HZ3 TRP 95 -3.638 -10.980 -6.557 748 HH2 TRP 95 HH2 TRP 95 -5.587 -9.840 -5.532 749 H ASN 96 H ASN 96 -0.559 -8.491 -12.722 750 HA ASN 96 HA ASN 96 0.355 -11.340 -12.777 751 1HB ASN 96 2HB ASN 96 0.755 -9.035 -14.611 752 2HB ASN 96 1HB ASN 96 2.161 -10.067 -14.344 753 1HD2 ASN 96 1HD2 ASN 96 0.952 -10.051 -16.892 754 2HD2 ASN 96 2HD2 ASN 96 0.169 -11.534 -17.153 755 HA PRO 97 HA PRO 97 3.449 -10.266 -9.850 756 1HB PRO 97 2HB PRO 97 5.337 -12.157 -10.504 757 2HB PRO 97 1HB PRO 97 3.840 -12.528 -9.630 758 1HG PRO 97 2HG PRO 97 4.545 -13.097 -12.471 759 2HG PRO 97 1HG PRO 97 3.410 -13.941 -11.406 760 1HD PRO 97 2HD PRO 97 2.719 -12.087 -13.432 761 2HD PRO 97 1HD PRO 97 1.642 -12.690 -12.154 762 H HIS 98 H HIS 98 5.074 -11.159 -12.926 763 HA HIS 98 HA HIS 98 7.340 -9.531 -12.651 764 1HB HIS 98 2HB HIS 98 7.243 -11.089 -14.475 765 2HB HIS 98 1HB HIS 98 5.791 -10.330 -15.128 766 HD1 HIS 98 HD1 HIS 98 9.168 -8.876 -14.076 767 HD2 HIS 98 HD2 HIS 98 6.588 -8.911 -17.351 768 HE1 HIS 98 HE1 HIS 98 10.211 -7.371 -15.826 769 H CYS 99 H CYS 99 4.055 -8.606 -13.335 770 HA CYS 99 HA CYS 99 4.649 -6.018 -14.479 771 1HB CYS 99 2HB CYS 99 2.233 -7.379 -13.369 772 2HB CYS 99 1HB CYS 99 2.198 -5.619 -13.488 773 HG CYS 99 HG CYS 99 1.388 -6.525 -15.789 774 H ILE 100 H ILE 100 3.625 -7.020 -11.196 775 HA ILE 100 HA ILE 100 3.788 -4.460 -9.994 776 HB ILE 100 HB ILE 100 4.393 -7.159 -8.746 777 1HG1 ILE 100 2HG1 ILE 100 1.801 -5.879 -8.233 778 2HG1 ILE 100 1HG1 ILE 100 2.042 -6.294 -9.931 779 1HG2 ILE 100 1HG2 ILE 100 4.295 -6.145 -6.676 780 2HG2 ILE 100 2HG2 ILE 100 3.228 -4.859 -7.241 781 3HG2 ILE 100 3HG2 ILE 100 4.952 -4.801 -7.608 782 1HD1 ILE 100 1HD1 ILE 100 2.985 -8.547 -8.717 783 2HD1 ILE 100 2HD1 ILE 100 1.324 -8.356 -9.279 784 3HD1 ILE 100 3HD1 ILE 100 1.721 -8.066 -7.585 785 H ARG 101 H ARG 101 6.253 -7.053 -9.733 786 HA ARG 101 HA ARG 101 8.321 -5.623 -8.583 787 1HB ARG 101 2HB ARG 101 8.123 -8.076 -9.803 788 2HB ARG 101 1HB ARG 101 9.218 -7.223 -10.891 789 1HG ARG 101 2HG ARG 101 9.973 -6.620 -8.193 790 2HG ARG 101 1HG ARG 101 9.822 -8.369 -8.356 791 1HD ARG 101 2HD ARG 101 11.107 -7.686 -10.692 792 2HD ARG 101 1HD ARG 101 11.801 -6.544 -9.541 793 HE ARG 101 HE ARG 101 11.729 -9.380 -8.704 794 1HH1 ARG 101 1HH2 ARG 101 13.428 -6.552 -8.481 795 2HH1 ARG 101 2HH2 ARG 101 14.995 -7.236 -8.762 796 1HH2 ARG 101 2HH1 ARG 101 13.762 -10.337 -9.711 797 2HH2 ARG 101 1HH1 ARG 101 15.184 -9.379 -9.457 798 H ASP 102 H ASP 102 7.170 -5.388 -11.906 799 HA ASP 102 HA ASP 102 9.339 -3.929 -13.019 800 1HB ASP 102 2HB ASP 102 7.292 -4.892 -14.225 801 2HB ASP 102 1HB ASP 102 6.436 -3.440 -13.706 802 H ALA 103 H ALA 103 6.252 -2.586 -11.774 803 HA ALA 103 HA ALA 103 7.038 0.125 -11.827 804 1HB ALA 103 1HB ALA 103 4.928 0.343 -11.075 805 2HB ALA 103 2HB ALA 103 5.418 -0.303 -9.508 806 3HB ALA 103 3HB ALA 103 4.856 -1.394 -10.776 807 H LEU 104 H LEU 104 7.753 -2.401 -9.483 808 HA LEU 104 HA LEU 104 8.653 -0.790 -7.330 809 1HB LEU 104 2HB LEU 104 9.312 -3.557 -8.292 810 2HB LEU 104 1HB LEU 104 10.269 -2.845 -6.993 811 HG LEU 104 HG LEU 104 7.244 -3.059 -6.981 812 1HD1 LEU 104 1HD1 LEU 104 7.901 -5.270 -6.663 813 2HD1 LEU 104 2HD1 LEU 104 7.931 -4.671 -5.005 814 3HD1 LEU 104 3HD1 LEU 104 9.433 -4.816 -5.918 815 1HD2 LEU 104 1HD2 LEU 104 8.328 -2.735 -4.393 816 2HD2 LEU 104 2HD2 LEU 104 7.404 -1.548 -5.314 817 3HD2 LEU 104 3HD2 LEU 104 9.165 -1.565 -5.413 818 H GLU 105 H GLU 105 10.635 -2.268 -9.934 819 HA GLU 105 HA GLU 105 12.972 -0.708 -9.208 820 1HB GLU 105 2HB GLU 105 12.245 -2.682 -11.289 821 2HB GLU 105 1HB GLU 105 13.468 -1.505 -11.770 822 1HG GLU 105 2HG GLU 105 15.021 -2.586 -10.557 823 2HG GLU 105 1HG GLU 105 14.044 -2.388 -9.101 824 H ASP 106 H ASP 106 10.116 0.100 -10.799 825 HA ASP 106 HA ASP 106 11.236 1.947 -12.753 826 1HB ASP 106 2HB ASP 106 8.853 0.797 -12.639 827 2HB ASP 106 1HB ASP 106 8.446 2.229 -11.692 828 H ALA 107 H ALA 107 10.384 2.089 -9.376 829 HA ALA 107 HA ALA 107 10.072 4.933 -9.146 830 1HB ALA 107 1HB ALA 107 9.967 2.734 -7.412 831 2HB ALA 107 2HB ALA 107 9.689 4.421 -6.982 832 3HB ALA 107 3HB ALA 107 11.298 3.718 -6.805 833 H LEU 108 H LEU 108 12.830 2.961 -9.703 834 HA LEU 108 HA LEU 108 14.811 4.685 -8.493 835 1HB LEU 108 2HB LEU 108 14.769 2.238 -10.046 836 2HB LEU 108 1HB LEU 108 16.022 3.330 -10.639 837 HG LEU 108 HG LEU 108 16.950 1.939 -8.863 838 1HD1 LEU 108 1HD1 LEU 108 16.447 4.618 -7.579 839 2HD1 LEU 108 2HD1 LEU 108 17.410 4.496 -9.052 840 3HD1 LEU 108 3HD1 LEU 108 17.927 3.659 -7.588 841 1HD2 LEU 108 1HD2 LEU 108 15.849 1.449 -6.927 842 2HD2 LEU 108 2HD2 LEU 108 14.419 1.982 -7.811 843 3HD2 LEU 108 3HD2 LEU 108 15.258 3.100 -6.736 844 H ASP 109 H ASP 109 13.109 4.689 -11.548 845 HA ASP 109 HA ASP 109 14.897 6.869 -12.527 846 1HB ASP 109 2HB ASP 109 12.857 5.163 -13.989 847 2HB ASP 109 1HB ASP 109 13.794 6.461 -14.731 848 H VAL 110 H VAL 110 13.880 8.805 -13.395 849 HA VAL 110 HA VAL 110 11.169 9.301 -12.229 850 HB VAL 110 HB VAL 110 13.082 11.536 -12.808 851 1HG1 VAL 110 1HG1 VAL 110 11.008 12.331 -12.080 852 2HG1 VAL 110 2HG1 VAL 110 11.912 12.247 -10.568 853 3HG1 VAL 110 3HG1 VAL 110 10.763 10.974 -10.980 854 1HG2 VAL 110 1HG2 VAL 110 14.582 10.272 -11.536 855 2HG2 VAL 110 2HG2 VAL 110 13.298 9.495 -10.611 856 3HG2 VAL 110 3HG2 VAL 110 13.733 11.171 -10.280 857 H ILE 111 HN ILE 111 9.643 9.628 -13.769 858 HA ILE 111 HA ILE 111 10.531 10.764 -16.392 859 HB ILE 111 HB ILE 111 8.929 9.361 -17.517 860 1HG1 ILE 111 2HG1 ILE 111 7.944 7.670 -15.464 861 2HG1 ILE 111 1HG1 ILE 111 7.708 9.327 -14.904 862 1HG2 ILE 111 1HG2 ILE 111 9.781 7.196 -15.793 863 2HG2 ILE 111 2HG2 ILE 111 11.095 8.349 -16.024 864 3HG2 ILE 111 3HG2 ILE 111 10.326 7.597 -17.422 865 1HD1 ILE 111 1HD1 ILE 111 6.491 9.908 -16.902 866 2HD1 ILE 111 2HD1 ILE 111 5.797 8.410 -16.280 867 3HD1 ILE 111 3HD1 ILE 111 6.897 8.367 -17.660 Start of MODEL 13 1 1H VAL 1 1H VAL 1 21.031 -0.703 -7.685 2 2H VAL 1 2H VAL 1 21.127 -2.398 -7.740 3 3H VAL 1 3H VAL 1 22.541 -1.469 -7.584 4 HA VAL 1 HA VAL 1 22.198 -2.209 -5.435 5 HB VAL 1 HB VAL 1 20.603 0.359 -5.453 6 1HG1 VAL 1 1HG1 VAL 1 22.768 -0.629 -3.579 7 2HG1 VAL 1 2HG1 VAL 1 21.051 -0.926 -3.311 8 3HG1 VAL 1 3HG1 VAL 1 21.669 0.726 -3.326 9 1HG2 VAL 1 1HG2 VAL 1 22.610 0.447 -7.011 10 2HG2 VAL 1 2HG2 VAL 1 23.621 0.124 -5.602 11 3HG2 VAL 1 3HG2 VAL 1 22.656 1.598 -5.676 12 H THR 2 H THR 2 20.789 -4.034 -5.422 13 HA THR 2 HA THR 2 17.893 -3.403 -5.037 14 HB THR 2 HB THR 2 17.399 -5.617 -5.798 15 HG1 THR 2 HG1 THR 2 18.784 -7.187 -5.616 16 1HG2 THR 2 1HG2 THR 2 19.544 -5.363 -7.728 17 2HG2 THR 2 2HG2 THR 2 18.842 -3.787 -7.366 18 3HG2 THR 2 3HG2 THR 2 17.814 -5.097 -7.947 19 H ALA 3 H ALA 3 17.981 -2.964 -2.789 20 HA ALA 3 HA ALA 3 18.834 -5.270 -1.084 21 1HB ALA 3 1HB ALA 3 18.509 -2.876 0.454 22 2HB ALA 3 2HB ALA 3 19.511 -2.501 -0.948 23 3HB ALA 3 3HB ALA 3 19.988 -3.790 0.158 24 H GLU 4 H GLU 4 16.828 -2.443 -0.292 25 HA GLU 4 HA GLU 4 14.472 -4.242 -0.015 26 1HB GLU 4 2HB GLU 4 14.024 -2.968 2.202 27 2HB GLU 4 1HB GLU 4 15.234 -4.251 2.221 28 1HG GLU 4 2HG GLU 4 16.941 -2.802 2.592 29 2HG GLU 4 1HG GLU 4 16.297 -1.613 1.460 30 H ILE 5 H ILE 5 12.467 -2.813 0.510 31 HA ILE 5 HA ILE 5 12.687 -0.051 -0.514 32 HB ILE 5 HB ILE 5 12.372 -1.331 -2.571 33 1HG1 ILE 5 2HG1 ILE 5 9.704 -0.147 -1.748 34 2HG1 ILE 5 1HG1 ILE 5 11.104 0.833 -2.183 35 1HG2 ILE 5 1HG2 ILE 5 9.766 -2.400 -2.223 36 2HG2 ILE 5 2HG2 ILE 5 10.721 -2.932 -0.839 37 3HG2 ILE 5 3HG2 ILE 5 11.267 -3.290 -2.477 38 1HD1 ILE 5 1HD1 ILE 5 9.644 -1.154 -3.939 39 2HD1 ILE 5 2HD1 ILE 5 11.188 -0.424 -4.375 40 3HD1 ILE 5 3HD1 ILE 5 9.761 0.590 -4.169 41 H ARG 6 H ARG 6 11.400 1.184 0.765 42 HA ARG 6 HA ARG 6 9.365 -0.158 2.442 43 1HB ARG 6 2HB ARG 6 10.998 2.261 2.622 44 2HB ARG 6 1HB ARG 6 9.310 2.556 3.045 45 1HG ARG 6 2HG ARG 6 10.188 1.862 5.094 46 2HG ARG 6 1HG ARG 6 9.568 0.345 4.443 47 1HD ARG 6 2HD ARG 6 11.821 -0.178 3.550 48 2HD ARG 6 1HD ARG 6 12.434 1.317 4.257 49 HE ARG 6 HE ARG 6 11.334 -0.933 5.896 50 1HH1 ARG 6 1HH2 ARG 6 12.232 2.156 6.438 51 2HH1 ARG 6 2HH2 ARG 6 13.595 1.817 7.452 52 1HH2 ARG 6 2HH1 ARG 6 13.626 -1.574 6.729 53 2HH2 ARG 6 1HH1 ARG 6 14.384 -0.295 7.616 54 H LEU 7 H LEU 7 7.218 -0.046 1.991 55 HA LEU 7 HA LEU 7 6.176 2.206 0.379 56 1HB LEU 7 2HB LEU 7 4.866 0.338 -0.950 57 2HB LEU 7 1HB LEU 7 6.494 0.796 -1.449 58 HG LEU 7 HG LEU 7 6.445 -1.273 0.638 59 1HD1 LEU 7 1HD1 LEU 7 5.353 -1.889 -2.124 60 2HD1 LEU 7 2HD1 LEU 7 4.421 -1.925 -0.628 61 3HD1 LEU 7 3HD1 LEU 7 5.731 -3.078 -0.879 62 1HD2 LEU 7 1HD2 LEU 7 7.771 -0.849 -2.048 63 2HD2 LEU 7 2HD2 LEU 7 7.999 -2.325 -1.112 64 3HD2 LEU 7 3HD2 LEU 7 8.510 -0.773 -0.449 65 H TYR 8 H TYR 8 3.689 2.014 0.282 66 HA TYR 8 HA TYR 8 2.696 0.691 2.774 67 1HB TYR 8 2HB TYR 8 2.906 3.240 2.867 68 2HB TYR 8 1HB TYR 8 1.619 3.289 1.663 69 HD1 TYR 8 HD1 TYR 8 2.478 2.475 5.146 70 HD2 TYR 8 HD2 TYR 8 -0.652 2.541 2.203 71 HE1 TYR 8 HE1 TYR 8 0.788 2.169 6.938 72 HE2 TYR 8 HE2 TYR 8 -2.342 2.235 3.993 73 HH TYR 8 HH TYR 8 -2.496 1.405 6.254 74 H ILE 9 H ILE 9 0.686 -0.334 2.599 75 HA ILE 9 HA ILE 9 -0.542 -0.316 -0.130 76 HB ILE 9 HB ILE 9 -0.381 -2.638 1.817 77 1HG1 ILE 9 2HG1 ILE 9 0.867 -3.060 -0.754 78 2HG1 ILE 9 1HG1 ILE 9 1.554 -1.627 0.011 79 1HG2 ILE 9 1HG2 ILE 9 -1.624 -2.256 -0.907 80 2HG2 ILE 9 2HG2 ILE 9 -2.360 -2.920 0.552 81 3HG2 ILE 9 3HG2 ILE 9 -1.155 -3.856 -0.332 82 1HD1 ILE 9 1HD1 ILE 9 1.187 -4.208 1.533 83 2HD1 ILE 9 2HD1 ILE 9 2.218 -2.836 1.940 84 3HD1 ILE 9 3HD1 ILE 9 2.642 -3.888 0.590 85 H THR 10 H THR 10 -2.624 0.388 -0.116 86 HA THR 10 HA THR 10 -4.016 1.335 2.101 87 HB THR 10 HB THR 10 -6.048 0.335 0.488 88 HG1 THR 10 HG1 THR 10 -5.106 -0.256 -1.275 89 1HG2 THR 10 1HG2 THR 10 -6.035 2.622 -0.486 90 2HG2 THR 10 2HG2 THR 10 -4.441 2.891 0.219 91 3HG2 THR 10 3HG2 THR 10 -5.838 2.643 1.266 92 H GLU 11 H GLU 11 -5.482 0.421 3.591 93 HA GLU 11 HA GLU 11 -5.594 -2.569 3.581 94 1HB GLU 11 2HB GLU 11 -4.676 -0.704 5.623 95 2HB GLU 11 1HB GLU 11 -5.961 -1.752 6.225 96 1HG GLU 11 2HG GLU 11 -4.731 -3.698 5.861 97 2HG GLU 11 1HG GLU 11 -3.721 -2.949 4.625 98 H GLY 12 H GLY 12 -7.663 -2.991 2.916 99 1HA GLY 12 2HA GLY 12 -9.865 -1.538 4.331 100 2HA GLY 12 1HA GLY 12 -9.988 -2.026 2.639 101 H GLU 13 H GLU 13 -11.753 -3.435 2.936 102 HA GLU 13 HA GLU 13 -11.072 -5.952 4.391 103 1HB GLU 13 2HB GLU 13 -12.823 -4.238 5.482 104 2HB GLU 13 1HB GLU 13 -13.919 -5.055 4.368 105 1HG GLU 13 2HG GLU 13 -14.075 -6.736 5.857 106 2HG GLU 13 1HG GLU 13 -12.378 -7.101 5.539 107 H VAL 14 H VAL 14 -10.697 -5.657 1.664 108 HA VAL 14 HA VAL 14 -13.042 -7.118 0.517 109 HB VAL 14 HB VAL 14 -12.599 -4.897 -0.527 110 1HG1 VAL 14 1HG1 VAL 14 -10.007 -6.144 -1.472 111 2HG1 VAL 14 2HG1 VAL 14 -10.098 -5.033 -0.105 112 3HG1 VAL 14 3HG1 VAL 14 -10.554 -4.486 -1.719 113 1HG2 VAL 14 1HG2 VAL 14 -13.003 -7.380 -1.772 114 2HG2 VAL 14 2HG2 VAL 14 -11.770 -6.584 -2.748 115 3HG2 VAL 14 3HG2 VAL 14 -13.321 -5.792 -2.471 116 H GLU 15 H GLU 15 -12.574 -8.941 -0.814 117 HA GLU 15 HA GLU 15 -10.391 -10.566 0.019 118 1HB GLU 15 2HB GLU 15 -12.568 -11.316 -1.087 119 2HB GLU 15 1HB GLU 15 -11.845 -10.835 -2.622 120 1HG GLU 15 2HG GLU 15 -11.225 -13.074 -2.537 121 2HG GLU 15 1HG GLU 15 -9.824 -12.315 -1.778 122 H ASP 16 H ASP 16 -10.832 -8.619 -2.938 123 HA ASP 16 HA ASP 16 -8.551 -9.271 -4.370 124 1HB ASP 16 2HB ASP 16 -10.183 -6.827 -4.058 125 2HB ASP 16 1HB ASP 16 -8.550 -6.555 -4.669 126 H TYR 17 H TYR 17 -8.705 -7.609 -1.303 127 HA TYR 17 HA TYR 17 -6.006 -6.529 -1.446 128 1HB TYR 17 2HB TYR 17 -7.592 -5.463 0.040 129 2HB TYR 17 1HB TYR 17 -7.886 -6.983 0.888 130 HD1 TYR 17 HD1 TYR 17 -7.031 -6.733 3.065 131 HD2 TYR 17 HD2 TYR 17 -4.695 -5.416 -0.294 132 HE1 TYR 17 HE1 TYR 17 -5.120 -6.263 4.577 133 HE2 TYR 17 HE2 TYR 17 -2.785 -4.946 1.219 134 HH TYR 17 HH TYR 17 -2.283 -4.565 3.479 135 H ARG 18 H ARG 18 -7.486 -9.360 0.156 136 HA ARG 18 HA ARG 18 -5.058 -10.310 1.335 137 1HB ARG 18 2HB ARG 18 -7.779 -11.304 0.915 138 2HB ARG 18 1HB ARG 18 -6.568 -12.584 0.811 139 1HG ARG 18 2HG ARG 18 -5.721 -11.088 2.986 140 2HG ARG 18 1HG ARG 18 -7.477 -11.075 3.146 141 1HD ARG 18 2HD ARG 18 -7.049 -13.685 2.487 142 2HD ARG 18 1HD ARG 18 -5.579 -13.329 3.391 143 HE ARG 18 HE ARG 18 -8.342 -13.208 4.479 144 1HH1 ARG 18 2HH1 ARG 18 -6.474 -15.077 5.725 145 2HH1 ARG 18 1HH1 ARG 18 -5.831 -14.179 7.059 146 1HH2 ARG 18 1HH2 ARG 18 -6.846 -11.103 5.824 147 2HH2 ARG 18 2HH2 ARG 18 -6.041 -11.932 7.115 148 H VAL 19 H VAL 19 -6.509 -10.795 -1.846 149 HA VAL 19 HA VAL 19 -4.648 -12.847 -2.673 150 HB VAL 19 HB VAL 19 -6.416 -10.961 -4.253 151 1HG1 VAL 19 1HG1 VAL 19 -4.774 -13.351 -5.141 152 2HG1 VAL 19 2HG1 VAL 19 -4.572 -11.680 -5.668 153 3HG1 VAL 19 3HG1 VAL 19 -6.018 -12.580 -6.124 154 1HG2 VAL 19 1HG2 VAL 19 -8.037 -12.389 -3.613 155 2HG2 VAL 19 2HG2 VAL 19 -6.863 -13.388 -2.757 156 3HG2 VAL 19 3HG2 VAL 19 -7.186 -13.677 -4.466 157 H PHE 20 H PHE 20 -4.747 -9.309 -3.006 158 HA PHE 20 HA PHE 20 -2.442 -9.124 -4.716 159 1HB PHE 20 2HB PHE 20 -3.986 -7.247 -4.508 160 2HB PHE 20 1HB PHE 20 -3.635 -7.112 -2.784 161 HD1 PHE 20 HD1 PHE 20 -1.599 -6.092 -1.988 162 HD2 PHE 20 HD2 PHE 20 -2.245 -6.699 -6.193 163 HE1 PHE 20 HE1 PHE 20 0.346 -4.639 -2.496 164 HE2 PHE 20 HE2 PHE 20 -0.300 -5.245 -6.701 165 HZ PHE 20 HZ PHE 20 0.996 -4.216 -4.853 166 H LEU 21 H LEU 21 -2.693 -8.289 -1.230 167 HA LEU 21 HA LEU 21 0.077 -8.088 -0.750 168 1HB LEU 21 2HB LEU 21 -1.984 -7.623 0.809 169 2HB LEU 21 1HB LEU 21 -1.745 -9.297 1.313 170 HG LEU 21 HG LEU 21 0.641 -8.764 1.817 171 1HD1 LEU 21 1HD1 LEU 21 1.351 -6.926 0.646 172 2HD1 LEU 21 2HD1 LEU 21 0.810 -6.076 2.094 173 3HD1 LEU 21 3HD1 LEU 21 -0.239 -6.163 0.680 174 1HD2 LEU 21 1HD2 LEU 21 -1.721 -7.679 3.190 175 2HD2 LEU 21 2HD2 LEU 21 -0.225 -6.845 3.612 176 3HD2 LEU 21 3HD2 LEU 21 -0.361 -8.588 3.848 177 H GLU 22 H GLU 22 -2.030 -10.951 -0.372 178 HA GLU 22 HA GLU 22 -0.074 -12.788 0.478 179 1HB GLU 22 2HB GLU 22 -2.535 -13.138 -1.245 180 2HB GLU 22 1HB GLU 22 -1.537 -14.505 -0.745 181 1HG GLU 22 2HG GLU 22 -1.910 -13.995 1.597 182 2HG GLU 22 1HG GLU 22 -2.761 -12.507 1.179 183 H ARG 23 H ARG 23 -0.761 -11.569 -2.767 184 HA ARG 23 HA ARG 23 0.977 -13.465 -4.112 185 1HB ARG 23 2HB ARG 23 -0.654 -11.126 -4.841 186 2HB ARG 23 1HB ARG 23 0.824 -11.285 -5.790 187 1HG ARG 23 2HG ARG 23 -0.296 -13.889 -5.533 188 2HG ARG 23 1HG ARG 23 -1.599 -12.801 -6.013 189 1HD ARG 23 2HD ARG 23 -0.699 -12.428 -8.068 190 2HD ARG 23 1HD ARG 23 0.947 -12.356 -7.437 191 HE ARG 23 HE ARG 23 0.043 -15.058 -7.303 192 1HH1 ARG 23 1HH2 ARG 23 -0.786 -13.696 -10.042 193 2HH1 ARG 23 2HH2 ARG 23 0.489 -14.306 -11.043 194 1HH2 ARG 23 2HH1 ARG 23 2.426 -15.386 -8.378 195 2HH2 ARG 23 1HH1 ARG 23 2.307 -15.263 -10.102 196 H LEU 24 H LEU 24 1.381 -10.222 -2.760 197 HA LEU 24 HA LEU 24 3.819 -9.444 -3.861 198 1HB LEU 24 2HB LEU 24 2.345 -8.876 -1.417 199 2HB LEU 24 1HB LEU 24 4.087 -8.824 -1.146 200 HG LEU 24 HG LEU 24 3.953 -7.496 -3.500 201 1HD1 LEU 24 1HD1 LEU 24 1.992 -5.882 -3.197 202 2HD1 LEU 24 2HD1 LEU 24 1.329 -7.055 -2.060 203 3HD1 LEU 24 3HD1 LEU 24 1.576 -7.506 -3.747 204 1HD2 LEU 24 1HD2 LEU 24 4.631 -6.912 -0.914 205 2HD2 LEU 24 2HD2 LEU 24 3.297 -5.789 -1.174 206 3HD2 LEU 24 3HD2 LEU 24 4.703 -5.750 -2.237 207 H GLU 25 H GLU 25 3.232 -11.940 -1.440 208 HA GLU 25 HA GLU 25 5.975 -12.293 -0.657 209 1HB GLU 25 2HB GLU 25 4.013 -13.200 0.607 210 2HB GLU 25 1HB GLU 25 3.772 -14.375 -0.687 211 1HG GLU 25 2HG GLU 25 5.066 -15.454 1.042 212 2HG GLU 25 1HG GLU 25 6.147 -15.144 -0.316 213 H GLN 26 H GLN 26 3.974 -13.844 -3.169 214 HA GLN 26 HA GLN 26 6.094 -15.620 -4.036 215 1HB GLN 26 2HB GLN 26 3.546 -14.694 -5.393 216 2HB GLN 26 1HB GLN 26 4.626 -15.917 -6.063 217 1HG GLN 26 2HG GLN 26 4.141 -17.463 -4.385 218 2HG GLN 26 1HG GLN 26 3.630 -16.217 -3.246 219 1HE2 GLN 26 1HE2 GLN 26 1.793 -18.160 -3.397 220 2HE2 GLN 26 2HE2 GLN 26 0.484 -17.747 -4.394 221 H SER 27 H SER 27 5.782 -12.306 -4.270 222 HA SER 27 HA SER 27 6.858 -11.992 -6.975 223 1HB SER 27 2HB SER 27 5.398 -10.292 -5.724 224 2HB SER 27 1HB SER 27 6.839 -9.904 -4.789 225 HG SER 27 HG SER 27 7.785 -9.101 -6.555 226 H GLY 28 H GLY 28 8.136 -12.751 -3.915 227 1HA GLY 28 2HA GLY 28 10.365 -13.121 -3.261 228 2HA GLY 28 1HA GLY 28 10.842 -12.803 -4.930 229 H LEU 29 H LEU 29 12.643 -11.527 -4.125 230 HA LEU 29 HA LEU 29 13.657 -9.476 -3.599 231 1HB LEU 29 2HB LEU 29 10.845 -8.467 -4.131 232 2HB LEU 29 1HB LEU 29 12.262 -7.434 -3.932 233 HG LEU 29 HG LEU 29 12.738 -9.567 -5.864 234 1HD1 LEU 29 1HD1 LEU 29 11.017 -7.636 -7.182 235 2HD1 LEU 29 2HD1 LEU 29 10.135 -8.507 -5.927 236 3HD1 LEU 29 3HD1 LEU 29 10.943 -9.398 -7.218 237 1HD2 LEU 29 1HD2 LEU 29 12.917 -7.102 -7.126 238 2HD2 LEU 29 2HD2 LEU 29 14.231 -7.910 -6.270 239 3HD2 LEU 29 3HD2 LEU 29 13.242 -6.709 -5.438 240 H GLU 30 H GLU 30 13.459 -7.606 -1.942 241 HA GLU 30 HA GLU 30 12.101 -8.676 0.499 242 1HB GLU 30 2HB GLU 30 14.787 -7.545 0.015 243 2HB GLU 30 1HB GLU 30 13.975 -6.923 1.451 244 1HG GLU 30 2HG GLU 30 13.456 -9.658 1.531 245 2HG GLU 30 1HG GLU 30 15.129 -9.562 0.978 246 H TRP 31 H TRP 31 10.238 -7.505 0.741 247 HA TRP 31 HA TRP 31 10.443 -4.540 0.392 248 1HB TRP 31 2HB TRP 31 8.093 -4.520 -0.210 249 2HB TRP 31 1HB TRP 31 8.916 -5.700 -1.228 250 HD1 TRP 31 HD1 TRP 31 8.831 -8.324 -0.176 251 HE1 TRP 31 HE1 TRP 31 6.796 -9.520 0.862 252 HE3 TRP 31 HE3 TRP 31 5.936 -4.282 0.996 253 HZ2 TRP 31 HZ2 TRP 31 4.273 -8.850 2.033 254 HZ3 TRP 31 HZ3 TRP 31 3.722 -4.588 2.071 255 HH2 TRP 31 HH2 TRP 31 2.888 -6.865 2.590 256 H ARG 32 H ARG 32 9.291 -3.252 1.948 257 HA ARG 32 HA ARG 32 8.353 -4.697 4.377 258 1HB ARG 32 2HB ARG 32 10.621 -2.765 4.159 259 2HB ARG 32 1HB ARG 32 9.580 -2.644 5.579 260 1HG ARG 32 2HG ARG 32 10.522 -5.362 4.767 261 2HG ARG 32 1HG ARG 32 11.681 -4.284 5.547 262 1HD ARG 32 2HD ARG 32 9.713 -3.892 7.258 263 2HD ARG 32 1HD ARG 32 9.142 -5.444 6.644 264 HE ARG 32 HE ARG 32 11.870 -5.100 7.827 265 1HH1 ARG 32 1HH2 ARG 32 10.798 -7.622 6.350 266 2HH1 ARG 32 2HH2 ARG 32 10.435 -8.634 7.708 267 1HH2 ARG 32 2HH1 ARG 32 10.592 -6.047 10.014 268 2HH2 ARG 32 1HH1 ARG 32 10.319 -7.741 9.783 269 HA PRO 33 HA PRO 33 5.165 -1.675 4.089 270 1HB PRO 33 2HB PRO 33 4.102 -2.034 6.598 271 2HB PRO 33 1HB PRO 33 3.854 -3.168 5.259 272 1HG PRO 33 2HG PRO 33 5.606 -3.449 7.655 273 2HG PRO 33 1HG PRO 33 4.849 -4.708 6.666 274 1HD PRO 33 2HD PRO 33 7.560 -3.898 6.536 275 2HD PRO 33 1HD PRO 33 6.714 -4.914 5.349 276 H ALA 34 H ALA 34 4.793 0.487 4.741 277 HA ALA 34 HA ALA 34 6.506 1.516 6.963 278 1HB ALA 34 1HB ALA 34 7.546 2.996 5.607 279 2HB ALA 34 2HB ALA 34 6.028 3.461 4.836 280 3HB ALA 34 3HB ALA 34 6.914 2.050 4.259 281 H THR 35 H THR 35 5.503 4.247 6.447 282 HA THR 35 HA THR 35 2.644 3.865 7.240 283 HB THR 35 HB THR 35 3.442 6.217 8.473 284 HG1 THR 35 HG1 THR 35 5.335 5.404 9.640 285 1HG2 THR 35 1HG2 THR 35 2.212 5.016 9.938 286 2HG2 THR 35 2HG2 THR 35 3.734 4.270 10.422 287 3HG2 THR 35 3HG2 THR 35 2.712 3.484 9.219 288 HA PRO 36 HA PRO 36 1.669 7.008 4.337 289 1HB PRO 36 2HB PRO 36 -0.304 8.398 5.650 290 2HB PRO 36 1HB PRO 36 -0.540 6.783 4.960 291 1HG PRO 36 2HG PRO 36 -0.221 7.575 7.820 292 2HG PRO 36 1HG PRO 36 -1.066 6.179 7.129 293 1HD PRO 36 2HD PRO 36 1.495 6.130 8.324 294 2HD PRO 36 1HD PRO 36 0.789 4.844 7.322 295 H GLU 37 H GLU 37 3.942 7.959 4.960 296 HA GLU 37 HA GLU 37 3.686 10.805 5.244 297 1HB GLU 37 2HB GLU 37 4.165 9.210 7.687 298 2HB GLU 37 1HB GLU 37 5.293 10.544 7.444 299 1HG GLU 37 2HG GLU 37 3.717 12.081 7.942 300 2HG GLU 37 1HG GLU 37 2.550 11.331 6.854 301 H ASP 38 H ASP 38 5.758 7.947 5.487 302 HA ASP 38 HA ASP 38 7.798 9.425 3.895 303 1HB ASP 38 2HB ASP 38 8.117 8.710 6.600 304 2HB ASP 38 1HB ASP 38 9.045 7.520 5.687 305 H ALA 39 H ALA 39 5.706 7.374 3.275 306 HA ALA 39 HA ALA 39 7.146 4.880 2.803 307 1HB ALA 39 1HB ALA 39 4.916 4.363 2.925 308 2HB ALA 39 2HB ALA 39 4.979 4.682 1.192 309 3HB ALA 39 3HB ALA 39 4.414 5.934 2.298 310 H ASP 40 H ASP 40 8.762 4.896 1.308 311 HA ASP 40 HA ASP 40 9.174 6.760 -0.746 312 1HB ASP 40 2HB ASP 40 9.987 3.878 -0.423 313 2HB ASP 40 1HB ASP 40 10.411 4.769 -1.885 314 H ALA 41 H ALA 41 7.472 3.619 -0.967 315 HA ALA 41 HA ALA 41 6.265 4.621 -3.518 316 1HB ALA 41 1HB ALA 41 6.951 2.713 -4.492 317 2HB ALA 41 2HB ALA 41 6.022 1.782 -3.318 318 3HB ALA 41 3HB ALA 41 7.699 2.206 -2.978 319 H VAL 42 H VAL 42 4.022 4.191 -3.828 320 HA VAL 42 HA VAL 42 2.576 3.171 -1.419 321 HB VAL 42 HB VAL 42 1.810 5.577 -3.101 322 1HG1 VAL 42 1HG1 VAL 42 0.394 5.350 -0.621 323 2HG1 VAL 42 2HG1 VAL 42 0.248 3.819 -1.485 324 3HG1 VAL 42 3HG1 VAL 42 -0.260 5.320 -2.259 325 1HG2 VAL 42 1HG2 VAL 42 3.445 6.447 -1.716 326 2HG2 VAL 42 2HG2 VAL 42 3.202 5.214 -0.480 327 3HG2 VAL 42 3HG2 VAL 42 2.064 6.553 -0.625 328 H ILE 43 H ILE 43 1.665 1.294 -2.144 329 HA ILE 43 HA ILE 43 0.759 1.094 -4.953 330 HB ILE 43 HB ILE 43 0.843 -0.933 -2.698 331 1HG1 ILE 43 2HG1 ILE 43 2.468 -0.802 -5.253 332 2HG1 ILE 43 1HG1 ILE 43 3.027 -0.121 -3.724 333 1HG2 ILE 43 1HG2 ILE 43 -0.372 -0.971 -5.404 334 2HG2 ILE 43 2HG2 ILE 43 -0.776 -1.923 -3.974 335 3HG2 ILE 43 3HG2 ILE 43 0.597 -2.383 -4.980 336 1HD1 ILE 43 1HD1 ILE 43 2.361 -3.018 -4.302 337 2HD1 ILE 43 2HD1 ILE 43 2.659 -2.393 -2.680 338 3HD1 ILE 43 3HD1 ILE 43 3.940 -2.348 -3.892 339 H VAL 44 H VAL 44 -1.295 1.679 -5.447 340 HA VAL 44 HA VAL 44 -3.334 1.650 -3.273 341 HB VAL 44 HB VAL 44 -3.606 2.917 -6.005 342 1HG1 VAL 44 1HG1 VAL 44 -5.099 2.936 -3.419 343 2HG1 VAL 44 2HG1 VAL 44 -5.715 2.979 -5.071 344 3HG1 VAL 44 3HG1 VAL 44 -5.047 4.438 -4.341 345 1HG2 VAL 44 1HG2 VAL 44 -1.586 3.807 -4.889 346 2HG2 VAL 44 2HG2 VAL 44 -2.538 4.153 -3.446 347 3HG2 VAL 44 3HG2 VAL 44 -2.865 5.021 -4.946 348 H LEU 45 H LEU 45 -4.868 0.087 -3.306 349 HA LEU 45 HA LEU 45 -5.034 -1.688 -5.669 350 1HB LEU 45 2HB LEU 45 -6.061 -1.843 -2.833 351 2HB LEU 45 1HB LEU 45 -6.638 -2.953 -4.077 352 HG LEU 45 HG LEU 45 -4.667 -3.803 -2.726 353 1HD1 LEU 45 1HD1 LEU 45 -4.190 -5.072 -4.530 354 2HD1 LEU 45 2HD1 LEU 45 -3.506 -3.695 -5.394 355 3HD1 LEU 45 3HD1 LEU 45 -5.242 -4.001 -5.457 356 1HD2 LEU 45 1HD2 LEU 45 -3.124 -1.769 -4.360 357 2HD2 LEU 45 2HD2 LEU 45 -2.492 -2.850 -3.118 358 3HD2 LEU 45 3HD2 LEU 45 -3.557 -1.517 -2.668 359 H ALA 46 H ALA 46 -6.738 -1.615 -7.083 360 HA ALA 46 HA ALA 46 -8.830 0.421 -6.596 361 1HB ALA 46 1HB ALA 46 -7.476 -0.536 -8.891 362 2HB ALA 46 2HB ALA 46 -8.754 0.678 -8.830 363 3HB ALA 46 3HB ALA 46 -9.163 -1.020 -9.072 364 H GLY 47 H GLY 47 -8.485 -2.678 -5.685 365 1HA GLY 47 2HA GLY 47 -11.052 -3.769 -6.544 366 2HA GLY 47 1HA GLY 47 -9.968 -4.491 -5.354 367 H LEU 48 H LEU 48 -9.933 -1.737 -3.981 368 HA LEU 48 HA LEU 48 -12.521 -2.119 -2.532 369 1HB LEU 48 2HB LEU 48 -11.292 -0.901 -0.656 370 2HB LEU 48 1HB LEU 48 -10.690 -2.515 -1.037 371 HG LEU 48 HG LEU 48 -9.419 -0.479 -2.689 372 1HD1 LEU 48 1HD1 LEU 48 -9.031 -0.305 0.316 373 2HD1 LEU 48 2HD1 LEU 48 -9.837 0.912 -0.674 374 3HD1 LEU 48 3HD1 LEU 48 -8.119 0.588 -0.903 375 1HD2 LEU 48 1HD2 LEU 48 -7.997 -2.233 -2.641 376 2HD2 LEU 48 2HD2 LEU 48 -8.822 -2.936 -1.250 377 3HD2 LEU 48 3HD2 LEU 48 -7.554 -1.734 -1.007 378 H TRP 49 H TRP 49 -12.343 -0.570 -4.938 379 HA TRP 49 HA TRP 49 -12.162 2.253 -4.190 380 1HB TRP 49 2HB TRP 49 -11.566 1.443 -6.464 381 2HB TRP 49 1HB TRP 49 -13.245 0.967 -6.715 382 HD1 TRP 49 HD1 TRP 49 -15.091 2.980 -6.666 383 HE1 TRP 49 HE1 TRP 49 -14.859 5.442 -7.397 384 HE3 TRP 49 HE3 TRP 49 -10.003 3.425 -6.662 385 HZ2 TRP 49 HZ2 TRP 49 -12.787 7.346 -7.914 386 HZ3 TRP 49 HZ3 TRP 49 -8.926 5.572 -7.276 387 HH2 TRP 49 HH2 TRP 49 -10.312 7.532 -7.902 388 H GLY 50 H GLY 50 -14.595 -0.183 -4.125 389 1HA GLY 50 2HA GLY 50 -16.747 1.878 -4.018 390 2HA GLY 50 1HA GLY 50 -17.013 0.152 -4.261 391 H THR 51 H THR 51 -14.656 0.739 -1.897 392 HA THR 51 HA THR 51 -16.710 0.453 0.261 393 HB THR 51 HB THR 51 -14.766 -0.816 1.450 394 HG1 THR 51 HG1 THR 51 -14.062 -1.403 -1.207 395 1HG2 THR 51 1HG2 THR 51 -15.738 -2.457 -0.817 396 2HG2 THR 51 2HG2 THR 51 -16.985 -1.633 0.120 397 3HG2 THR 51 3HG2 THR 51 -15.869 -2.742 0.919 398 H ARG 52 H ARG 52 -13.223 1.212 -0.132 399 HA ARG 52 HA ARG 52 -13.645 3.433 1.829 400 1HB ARG 52 2HB ARG 52 -11.688 1.302 1.726 401 2HB ARG 52 1HB ARG 52 -10.888 2.873 1.658 402 1HG ARG 52 2HG ARG 52 -11.089 2.649 3.950 403 2HG ARG 52 1HG ARG 52 -12.626 3.438 3.599 404 1HD ARG 52 2HD ARG 52 -13.641 1.122 3.369 405 2HD ARG 52 1HD ARG 52 -12.131 0.480 4.013 406 HE ARG 52 HE ARG 52 -13.955 2.298 5.532 407 1HH1 ARG 52 2HH1 ARG 52 -10.854 1.565 5.970 408 2HH1 ARG 52 1HH1 ARG 52 -11.033 0.562 7.371 409 1HH2 ARG 52 1HH2 ARG 52 -14.476 0.284 7.061 410 2HH2 ARG 52 2HH2 ARG 52 -13.082 -0.162 7.988 411 H ARG 53 H ARG 53 -14.270 4.131 -0.688 412 HA ARG 53 HA ARG 53 -12.164 4.894 -2.432 413 1HB ARG 53 2HB ARG 53 -14.734 4.964 -2.801 414 2HB ARG 53 1HB ARG 53 -14.649 6.561 -2.058 415 1HG ARG 53 2HG ARG 53 -12.562 6.625 -3.870 416 2HG ARG 53 1HG ARG 53 -13.797 5.704 -4.729 417 1HD ARG 53 2HD ARG 53 -15.321 7.462 -4.706 418 2HD ARG 53 1HD ARG 53 -14.590 8.211 -3.286 419 HE ARG 53 HE ARG 53 -12.594 8.553 -5.052 420 1HH1 ARG 53 1HH2 ARG 53 -14.662 7.934 -7.222 421 2HH1 ARG 53 2HH2 ARG 53 -15.154 9.533 -7.672 422 1HH2 ARG 53 2HH1 ARG 53 -13.796 11.029 -4.854 423 2HH2 ARG 53 1HH1 ARG 53 -14.663 11.284 -6.331 424 H ASP 54 H ASP 54 -13.759 6.752 0.171 425 HA ASP 54 HA ASP 54 -12.354 9.165 -0.075 426 1HB ASP 54 2HB ASP 54 -13.385 7.684 2.348 427 2HB ASP 54 1HB ASP 54 -12.605 9.260 2.492 428 H GLU 55 H GLU 55 -11.343 6.165 1.549 429 HA GLU 55 HA GLU 55 -8.891 7.192 2.613 430 1HB GLU 55 2HB GLU 55 -10.239 4.705 2.559 431 2HB GLU 55 1HB GLU 55 -8.643 4.415 1.866 432 1HG GLU 55 2HG GLU 55 -7.625 5.576 3.828 433 2HG GLU 55 1HG GLU 55 -9.233 5.728 4.536 434 H ILE 56 H ILE 56 -9.664 5.602 -0.478 435 HA ILE 56 HA ILE 56 -7.006 5.437 -1.480 436 HB ILE 56 HB ILE 56 -9.465 6.002 -3.155 437 1HG1 ILE 56 2HG1 ILE 56 -10.041 4.197 -1.631 438 2HG1 ILE 56 1HG1 ILE 56 -9.709 3.500 -3.216 439 1HG2 ILE 56 1HG2 ILE 56 -6.704 5.016 -3.618 440 2HG2 ILE 56 2HG2 ILE 56 -7.779 5.905 -4.697 441 3HG2 ILE 56 3HG2 ILE 56 -7.981 4.165 -4.487 442 1HD1 ILE 56 1HD1 ILE 56 -7.212 3.558 -1.990 443 2HD1 ILE 56 2HD1 ILE 56 -8.242 2.139 -2.170 444 3HD1 ILE 56 3HD1 ILE 56 -8.307 3.093 -0.688 445 H LEU 57 H LEU 57 -9.469 7.892 -2.338 446 HA LEU 57 HA LEU 57 -7.892 9.679 -3.741 447 1HB LEU 57 2HB LEU 57 -10.405 9.813 -3.008 448 2HB LEU 57 1HB LEU 57 -9.774 10.745 -1.651 449 HG LEU 57 HG LEU 57 -8.455 11.842 -3.828 450 1HD1 LEU 57 1HD1 LEU 57 -11.165 10.832 -4.607 451 2HD1 LEU 57 2HD1 LEU 57 -9.702 10.971 -5.581 452 3HD1 LEU 57 3HD1 LEU 57 -10.653 12.408 -5.209 453 1HD2 LEU 57 1HD2 LEU 57 -10.409 12.578 -1.847 454 2HD2 LEU 57 2HD2 LEU 57 -10.826 13.343 -3.382 455 3HD2 LEU 57 3HD2 LEU 57 -9.236 13.608 -2.668 456 H GLY 58 H GLY 58 -7.902 9.138 -0.259 457 1HA GLY 58 2HA GLY 58 -6.360 11.475 0.426 458 2HA GLY 58 1HA GLY 58 -6.550 10.042 1.438 459 H ALA 59 H ALA 59 -5.331 8.037 0.350 460 HA ALA 59 HA ALA 59 -2.589 8.396 0.610 461 1HB ALA 59 1HB ALA 59 -2.299 6.270 -0.435 462 2HB ALA 59 2HB ALA 59 -3.761 6.466 -1.402 463 3HB ALA 59 3HB ALA 59 -3.884 6.201 0.337 464 H VAL 60 H VAL 60 -4.555 8.886 -2.294 465 HA VAL 60 HA VAL 60 -2.342 9.265 -4.096 466 HB VAL 60 HB VAL 60 -5.202 10.262 -4.215 467 1HG1 VAL 60 1HG1 VAL 60 -3.261 10.027 -6.520 468 2HG1 VAL 60 2HG1 VAL 60 -3.448 11.525 -5.609 469 3HG1 VAL 60 3HG1 VAL 60 -4.820 10.850 -6.486 470 1HG2 VAL 60 1HG2 VAL 60 -3.896 7.708 -4.707 471 2HG2 VAL 60 2HG2 VAL 60 -4.700 8.303 -6.159 472 3HG2 VAL 60 3HG2 VAL 60 -5.617 8.088 -4.668 473 H ASP 61 H ASP 61 -4.588 11.742 -2.798 474 HA ASP 61 HA ASP 61 -3.251 14.037 -3.545 475 1HB ASP 61 2HB ASP 61 -5.385 13.889 -2.183 476 2HB ASP 61 1HB ASP 61 -4.372 13.653 -0.759 477 H LEU 62 H LEU 62 -2.287 11.771 -1.029 478 HA LEU 62 HA LEU 62 -0.216 13.508 0.060 479 1HB LEU 62 2HB LEU 62 -1.254 11.722 1.418 480 2HB LEU 62 1HB LEU 62 -0.594 10.509 0.320 481 HG LEU 62 HG LEU 62 1.706 11.485 0.831 482 1HD1 LEU 62 1HD1 LEU 62 1.759 13.386 2.035 483 2HD1 LEU 62 2HD1 LEU 62 1.141 12.479 3.415 484 3HD1 LEU 62 3HD1 LEU 62 0.022 13.294 2.324 485 1HD2 LEU 62 1HD2 LEU 62 1.814 9.671 2.163 486 2HD2 LEU 62 2HD2 LEU 62 0.054 9.667 2.290 487 3HD2 LEU 62 3HD2 LEU 62 1.022 10.570 3.457 488 H ALA 63 H ALA 63 -0.283 10.751 -2.195 489 HA ALA 63 HA ALA 63 2.542 10.583 -2.585 490 1HB ALA 63 1HB ALA 63 1.855 9.530 -4.818 491 2HB ALA 63 2HB ALA 63 0.188 9.817 -4.320 492 3HB ALA 63 3HB ALA 63 1.223 8.757 -3.363 493 H ARG 64 H ARG 64 0.078 12.130 -4.690 494 HA ARG 64 HA ARG 64 1.987 13.397 -6.399 495 1HB ARG 64 2HB ARG 64 -0.595 13.078 -6.682 496 2HB ARG 64 1HB ARG 64 -0.704 14.614 -5.821 497 1HG ARG 64 2HG ARG 64 1.141 15.354 -7.575 498 2HG ARG 64 1HG ARG 64 0.453 14.034 -8.521 499 1HD ARG 64 2HD ARG 64 -1.708 15.029 -8.537 500 2HD ARG 64 1HD ARG 64 -1.279 16.161 -7.256 501 HE ARG 64 HE ARG 64 -0.493 17.584 -8.949 502 1HH1 ARG 64 2HH1 ARG 64 1.765 15.684 -9.635 503 2HH1 ARG 64 1HH1 ARG 64 1.490 15.418 -11.324 504 1HH2 ARG 64 1HH2 ARG 64 -1.753 16.645 -11.260 505 2HH2 ARG 64 2HH2 ARG 64 -0.502 15.962 -12.244 506 H LYS 65 H LYS 65 1.113 14.064 -3.165 507 HA LYS 65 HA LYS 65 1.228 16.831 -2.905 508 1HB LYS 65 2HB LYS 65 1.039 15.087 -1.044 509 2HB LYS 65 1HB LYS 65 2.800 14.982 -1.097 510 1HG LYS 65 2HG LYS 65 2.997 17.365 -0.607 511 2HG LYS 65 1HG LYS 65 1.243 17.547 -0.660 512 1HD LYS 65 2HD LYS 65 1.429 17.253 1.601 513 2HD LYS 65 1HD LYS 65 1.441 15.547 1.154 514 1HE LYS 65 2HE LYS 65 3.548 15.314 1.910 515 2HE LYS 65 1HE LYS 65 4.099 16.644 0.892 516 1HZ LYS 65 1HZ LYS 65 4.397 17.747 2.782 517 2HZ LYS 65 2HZ LYS 65 3.518 16.613 3.693 518 3HZ LYS 65 3HZ LYS 65 2.709 17.869 2.884 519 H SER 66 H SER 66 3.808 14.640 -3.792 520 HA SER 66 HA SER 66 5.543 17.003 -4.296 521 1HB SER 66 2HB SER 66 6.150 14.650 -2.547 522 2HB SER 66 1HB SER 66 7.456 15.335 -3.511 523 HG SER 66 HG SER 66 7.173 16.284 -1.388 524 H SER 67 H SER 67 5.966 13.458 -4.503 525 HA SER 67 HA SER 67 5.567 13.262 -7.319 526 1HB SER 67 2HB SER 67 7.820 14.695 -6.892 527 2HB SER 67 1HB SER 67 8.495 13.070 -6.830 528 HG SER 67 HG SER 67 7.769 14.484 -8.957 529 H LYS 68 H LYS 68 5.133 11.775 -4.830 530 HA LYS 68 HA LYS 68 6.919 9.500 -4.758 531 1HB LYS 68 2HB LYS 68 4.269 10.198 -3.551 532 2HB LYS 68 1HB LYS 68 4.762 8.504 -3.560 533 1HG LYS 68 2HG LYS 68 6.507 8.858 -2.106 534 2HG LYS 68 1HG LYS 68 6.802 10.495 -2.691 535 1HD LYS 68 2HD LYS 68 4.226 9.954 -1.271 536 2HD LYS 68 1HD LYS 68 5.696 10.069 -0.306 537 1HE LYS 68 2HE LYS 68 6.145 12.247 -1.658 538 2HE LYS 68 1HE LYS 68 4.430 12.165 -2.060 539 1HZ LYS 68 1HZ LYS 68 4.750 11.691 0.689 540 2HZ LYS 68 2HZ LYS 68 3.942 12.975 -0.077 541 3HZ LYS 68 3HZ LYS 68 5.596 13.106 0.289 542 HA PRO 69 HA PRO 69 5.243 7.239 -8.140 543 1HB PRO 69 2HB PRO 69 6.218 4.765 -7.444 544 2HB PRO 69 1HB PRO 69 7.218 6.054 -8.134 545 1HG PRO 69 2HG PRO 69 7.095 5.078 -5.320 546 2HG PRO 69 1HG PRO 69 8.432 5.861 -6.178 547 1HD PRO 69 2HD PRO 69 6.692 7.111 -4.326 548 2HD PRO 69 1HD PRO 69 7.812 7.938 -5.430 549 H ILE 70 H ILE 70 3.154 6.547 -8.374 550 HA ILE 70 HA ILE 70 1.906 5.053 -6.107 551 HB ILE 70 HB ILE 70 0.602 6.668 -8.319 552 1HG1 ILE 70 2HG1 ILE 70 0.281 7.436 -5.484 553 2HG1 ILE 70 1HG1 ILE 70 1.918 7.626 -6.114 554 1HG2 ILE 70 1HG2 ILE 70 -0.744 4.734 -7.495 555 2HG2 ILE 70 2HG2 ILE 70 -1.473 6.288 -7.091 556 3HG2 ILE 70 3HG2 ILE 70 -0.606 5.374 -5.857 557 1HD1 ILE 70 1HD1 ILE 70 -0.552 8.694 -7.505 558 2HD1 ILE 70 2HD1 ILE 70 1.130 9.015 -7.929 559 3HD1 ILE 70 3HD1 ILE 70 0.461 9.658 -6.430 560 H ILE 71 H ILE 71 1.493 2.931 -6.484 561 HA ILE 71 HA ILE 71 1.689 1.922 -9.262 562 HB ILE 71 HB ILE 71 1.163 0.143 -6.907 563 1HG1 ILE 71 2HG1 ILE 71 2.855 1.624 -6.014 564 2HG1 ILE 71 1HG1 ILE 71 3.659 0.131 -6.502 565 1HG2 ILE 71 1HG2 ILE 71 1.966 -0.110 -9.637 566 2HG2 ILE 71 2HG2 ILE 71 1.708 -1.394 -8.456 567 3HG2 ILE 71 3HG2 ILE 71 3.302 -0.658 -8.627 568 1HD1 ILE 71 1HD1 ILE 71 4.273 2.752 -7.354 569 2HD1 ILE 71 2HD1 ILE 71 3.533 1.951 -8.740 570 3HD1 ILE 71 3HD1 ILE 71 4.952 1.245 -7.967 571 H THR 72 H THR 72 -0.221 2.106 -10.358 572 HA THR 72 HA THR 72 -2.788 1.913 -8.963 573 HB THR 72 HB THR 72 -2.093 2.170 -11.903 574 HG1 THR 72 HG1 THR 72 -3.032 3.974 -9.930 575 1HG2 THR 72 1HG2 THR 72 -4.697 3.016 -11.565 576 2HG2 THR 72 2HG2 THR 72 -4.615 1.599 -10.516 577 3HG2 THR 72 3HG2 THR 72 -4.214 1.454 -12.228 578 H VAL 73 H VAL 73 -3.414 -0.107 -8.332 579 HA VAL 73 HA VAL 73 -2.813 -2.408 -10.121 580 HB VAL 73 HB VAL 73 -3.922 -2.367 -7.296 581 1HG1 VAL 73 1HG1 VAL 73 -4.426 -4.519 -7.748 582 2HG1 VAL 73 2HG1 VAL 73 -2.692 -4.817 -7.860 583 3HG1 VAL 73 3HG1 VAL 73 -3.617 -4.443 -9.313 584 1HG2 VAL 73 1HG2 VAL 73 -1.794 -2.055 -6.626 585 2HG2 VAL 73 2HG2 VAL 73 -1.269 -1.958 -8.307 586 3HG2 VAL 73 3HG2 VAL 73 -1.320 -3.519 -7.488 587 H ARG 74 H ARG 74 -4.392 -2.589 -11.662 588 HA ARG 74 HA ARG 74 -7.015 -1.641 -11.577 589 1HB ARG 74 2HB ARG 74 -7.465 -3.023 -13.436 590 2HB ARG 74 1HB ARG 74 -5.721 -2.788 -13.515 591 1HG ARG 74 2HG ARG 74 -5.360 -4.944 -12.388 592 2HG ARG 74 1HG ARG 74 -7.104 -5.181 -12.264 593 1HD ARG 74 2HD ARG 74 -7.068 -4.826 -14.862 594 2HD ARG 74 1HD ARG 74 -5.360 -5.239 -14.711 595 HE ARG 74 HE ARG 74 -6.021 -7.443 -13.898 596 1HH1 ARG 74 1HH2 ARG 74 -8.793 -5.610 -13.612 597 2HH1 ARG 74 2HH2 ARG 74 -9.856 -6.763 -14.350 598 1HH2 ARG 74 2HH1 ARG 74 -7.293 -8.842 -15.414 599 2HH2 ARG 74 1HH1 ARG 74 -9.006 -8.592 -15.369 600 HA PRO 75 HA PRO 75 -9.201 -4.229 -8.793 601 1HB PRO 75 2HB PRO 75 -11.673 -4.274 -9.997 602 2HB PRO 75 1HB PRO 75 -11.030 -2.867 -9.135 603 1HG PRO 75 2HG PRO 75 -11.317 -3.297 -12.071 604 2HG PRO 75 1HG PRO 75 -11.284 -1.780 -11.157 605 1HD PRO 75 2HD PRO 75 -9.134 -2.872 -12.641 606 2HD PRO 75 1HD PRO 75 -9.027 -1.538 -11.473 607 H TYR 76 H TYR 76 -11.271 -6.053 -9.330 608 HA TYR 76 HA TYR 76 -9.800 -8.122 -10.902 609 1HB TYR 76 2HB TYR 76 -10.181 -8.646 -8.504 610 2HB TYR 76 1HB TYR 76 -11.918 -8.484 -8.760 611 HD1 TYR 76 HD1 TYR 76 -9.544 -9.930 -11.218 612 HD2 TYR 76 HD2 TYR 76 -12.562 -10.751 -8.269 613 HE1 TYR 76 HE1 TYR 76 -9.656 -12.285 -11.988 614 HE2 TYR 76 HE2 TYR 76 -12.672 -13.107 -9.040 615 HH TYR 76 HH TYR 76 -10.527 -14.297 -11.629 616 H GLY 77 H GLY 77 -11.956 -5.968 -11.648 617 1HA GLY 77 2HA GLY 77 -13.375 -6.045 -13.581 618 2HA GLY 77 1HA GLY 77 -13.448 -7.800 -13.428 619 H LEU 78 H LEU 78 -13.920 -6.039 -10.512 620 HA LEU 78 HA LEU 78 -16.760 -6.881 -10.507 621 1HB LEU 78 2HB LEU 78 -14.701 -6.331 -8.475 622 2HB LEU 78 1HB LEU 78 -16.297 -5.703 -8.063 623 HG LEU 78 HG LEU 78 -16.005 -8.027 -7.256 624 1HD1 LEU 78 1HD1 LEU 78 -18.236 -8.038 -7.577 625 2HD1 LEU 78 2HD1 LEU 78 -17.936 -8.829 -9.124 626 3HD1 LEU 78 3HD1 LEU 78 -18.086 -7.074 -9.046 627 1HD2 LEU 78 1HD2 LEU 78 -14.924 -8.338 -9.930 628 2HD2 LEU 78 2HD2 LEU 78 -16.217 -9.503 -9.648 629 3HD2 LEU 78 3HD2 LEU 78 -14.829 -9.446 -8.561 630 H GLU 79 H GLU 79 -15.083 -3.940 -9.320 631 HA GLU 79 HA GLU 79 -17.415 -2.380 -10.335 632 1HB GLU 79 2HB GLU 79 -15.803 -2.254 -7.889 633 2HB GLU 79 1HB GLU 79 -15.987 -0.689 -8.681 634 1HG GLU 79 2HG GLU 79 -17.893 -0.779 -7.318 635 2HG GLU 79 1HG GLU 79 -18.509 -1.366 -8.863 636 H ASN 80 H ASN 80 -14.685 -3.272 -11.537 637 HA ASN 80 HA ASN 80 -13.023 -2.333 -12.919 638 1HB ASN 80 2HB ASN 80 -15.629 -1.144 -13.559 639 2HB ASN 80 1HB ASN 80 -14.266 -0.141 -14.058 640 1HD2 ASN 80 1HD2 ASN 80 -13.192 -0.759 -15.958 641 2HD2 ASN 80 2HD2 ASN 80 -13.416 -2.245 -16.747 642 H VAL 81 H VAL 81 -12.253 0.139 -13.617 643 HA VAL 81 HA VAL 81 -11.991 1.638 -11.044 644 HB VAL 81 HB VAL 81 -9.905 0.390 -11.609 645 1HG1 VAL 81 1HG1 VAL 81 -10.494 0.831 -14.182 646 2HG1 VAL 81 2HG1 VAL 81 -8.833 0.589 -13.643 647 3HG1 VAL 81 3HG1 VAL 81 -9.440 2.221 -13.922 648 1HG2 VAL 81 1HG2 VAL 81 -9.791 2.547 -10.399 649 2HG2 VAL 81 2HG2 VAL 81 -9.705 3.402 -11.939 650 3HG2 VAL 81 3HG2 VAL 81 -8.391 2.332 -11.450 651 HA PRO 82 HA PRO 82 -13.404 4.967 -13.589 652 1HB PRO 82 2HB PRO 82 -12.997 6.970 -11.752 653 2HB PRO 82 1HB PRO 82 -14.357 5.837 -11.679 654 1HG PRO 82 2HG PRO 82 -11.895 5.921 -10.001 655 2HG PRO 82 1HG PRO 82 -13.497 5.271 -9.612 656 1HD PRO 82 2HD PRO 82 -11.223 3.754 -10.361 657 2HD PRO 82 1HD PRO 82 -12.896 3.162 -10.280 658 HA PRO 83 HA PRO 83 -9.808 6.943 -15.208 659 1HB PRO 83 2HB PRO 83 -10.900 9.296 -16.121 660 2HB PRO 83 1HB PRO 83 -11.141 7.730 -16.917 661 1HG PRO 83 2HG PRO 83 -13.050 9.302 -15.250 662 2HG PRO 83 1HG PRO 83 -13.385 8.124 -16.529 663 1HD PRO 83 2HD PRO 83 -13.554 7.643 -13.742 664 2HD PRO 83 1HD PRO 83 -13.568 6.407 -15.020 665 H GLU 84 H GLU 84 -11.156 7.928 -12.373 666 HA GLU 84 HA GLU 84 -9.997 10.555 -12.029 667 1HB GLU 84 2HB GLU 84 -11.833 9.169 -10.633 668 2HB GLU 84 1HB GLU 84 -10.409 8.796 -9.660 669 1HG GLU 84 2HG GLU 84 -9.970 11.105 -9.240 670 2HG GLU 84 1HG GLU 84 -11.113 11.620 -10.482 671 H LEU 85 H LEU 85 -8.630 7.462 -12.203 672 HA LEU 85 HA LEU 85 -6.335 8.179 -10.461 673 1HB LEU 85 2HB LEU 85 -7.489 5.682 -11.526 674 2HB LEU 85 1HB LEU 85 -5.726 5.736 -11.555 675 HG LEU 85 HG LEU 85 -7.021 6.715 -9.068 676 1HD1 LEU 85 1HD1 LEU 85 -8.257 4.578 -9.881 677 2HD1 LEU 85 2HD1 LEU 85 -7.629 4.596 -8.232 678 3HD1 LEU 85 3HD1 LEU 85 -6.750 3.744 -9.502 679 1HD2 LEU 85 1HD2 LEU 85 -4.561 5.221 -9.923 680 2HD2 LEU 85 2HD2 LEU 85 -5.094 5.105 -8.246 681 3HD2 LEU 85 3HD2 LEU 85 -4.693 6.677 -8.937 682 H GLU 86 H GLU 86 -7.216 7.788 -13.832 683 HA GLU 86 HA GLU 86 -4.559 7.705 -14.913 684 1HB GLU 86 2HB GLU 86 -7.206 7.715 -15.919 685 2HB GLU 86 1HB GLU 86 -6.381 9.081 -16.672 686 1HG GLU 86 2HG GLU 86 -4.838 7.738 -17.746 687 2HG GLU 86 1HG GLU 86 -4.918 6.479 -16.512 688 H ALA 87 H ALA 87 -6.662 10.347 -13.897 689 HA ALA 87 HA ALA 87 -5.072 12.451 -15.087 690 1HB ALA 87 1HB ALA 87 -6.625 13.868 -14.186 691 2HB ALA 87 2HB ALA 87 -6.605 13.054 -12.621 692 3HB ALA 87 3HB ALA 87 -7.540 12.379 -13.955 693 H VAL 88 H VAL 88 -4.667 10.440 -12.341 694 HA VAL 88 HA VAL 88 -2.278 12.018 -11.562 695 HB VAL 88 HB VAL 88 -2.906 11.708 -9.134 696 1HG1 VAL 88 1HG1 VAL 88 -4.866 13.468 -9.345 697 2HG1 VAL 88 2HG1 VAL 88 -4.422 13.448 -11.051 698 3HG1 VAL 88 3HG1 VAL 88 -3.229 13.904 -9.834 699 1HG2 VAL 88 1HG2 VAL 88 -4.814 10.012 -10.127 700 2HG2 VAL 88 2HG2 VAL 88 -5.764 11.471 -9.853 701 3HG2 VAL 88 3HG2 VAL 88 -4.875 10.734 -8.520 702 H SER 89 H SER 89 -2.086 9.728 -12.992 703 HA SER 89 HA SER 89 -1.324 7.690 -10.937 704 1HB SER 89 2HB SER 89 -2.807 7.426 -13.500 705 2HB SER 89 1HB SER 89 -1.616 6.175 -13.155 706 HG SER 89 HG SER 89 -3.979 6.157 -12.269 707 H SER 90 H SER 90 0.803 7.122 -10.976 708 HA SER 90 HA SER 90 2.450 8.140 -13.242 709 1HB SER 90 2HB SER 90 3.281 8.958 -11.161 710 2HB SER 90 1HB SER 90 3.106 7.384 -10.388 711 HG SER 90 HG SER 90 4.767 7.760 -12.643 712 H GLU 91 H GLU 91 1.767 5.229 -11.328 713 HA GLU 91 HA GLU 91 3.217 3.648 -13.416 714 1HB GLU 91 2HB GLU 91 3.491 3.639 -10.583 715 2HB GLU 91 1HB GLU 91 2.735 2.113 -11.039 716 1HG GLU 91 2HG GLU 91 5.249 3.241 -12.304 717 2HG GLU 91 1HG GLU 91 5.220 1.976 -11.076 718 H VAL 92 H VAL 92 2.094 1.956 -14.377 719 HA VAL 92 HA VAL 92 -0.724 1.548 -13.455 720 HB VAL 92 HB VAL 92 0.353 1.567 -16.293 721 1HG1 VAL 92 1HG1 VAL 92 -2.165 1.366 -16.792 722 2HG1 VAL 92 2HG1 VAL 92 -2.334 0.843 -15.117 723 3HG1 VAL 92 3HG1 VAL 92 -1.344 -0.093 -16.237 724 1HG2 VAL 92 1HG2 VAL 92 -1.889 3.318 -15.612 725 2HG2 VAL 92 2HG2 VAL 92 -0.372 3.707 -16.423 726 3HG2 VAL 92 3HG2 VAL 92 -0.448 3.680 -14.662 727 H VAL 93 H VAL 93 -1.223 -0.564 -13.013 728 HA VAL 93 HA VAL 93 0.230 -2.734 -14.376 729 HB VAL 93 HB VAL 93 0.792 -3.793 -12.133 730 1HG1 VAL 93 1HG1 VAL 93 2.505 -2.745 -13.553 731 2HG1 VAL 93 2HG1 VAL 93 2.843 -2.432 -11.852 732 3HG1 VAL 93 3HG1 VAL 93 2.132 -1.168 -12.856 733 1HG2 VAL 93 1HG2 VAL 93 -0.788 -1.987 -11.012 734 2HG2 VAL 93 2HG2 VAL 93 0.684 -1.014 -11.004 735 3HG2 VAL 93 3HG2 VAL 93 0.646 -2.562 -10.161 736 H GLY 94 H GLY 94 -1.038 -4.563 -14.525 737 1HA GLY 94 2HA GLY 94 -3.766 -4.369 -13.390 738 2HA GLY 94 1HA GLY 94 -3.245 -5.506 -14.634 739 H TRP 95 H TRP 95 -3.954 -7.382 -13.552 740 HA TRP 95 HA TRP 95 -3.035 -7.879 -10.797 741 1HB TRP 95 2HB TRP 95 -4.936 -9.143 -12.694 742 2HB TRP 95 1HB TRP 95 -4.122 -10.237 -11.574 743 HD1 TRP 95 HD1 TRP 95 -6.904 -7.793 -11.778 744 HE1 TRP 95 HE1 TRP 95 -7.907 -7.378 -9.439 745 HE3 TRP 95 HE3 TRP 95 -3.338 -10.026 -8.880 746 HZ2 TRP 95 HZ2 TRP 95 -7.278 -7.923 -6.701 747 HZ3 TRP 95 HZ3 TRP 95 -3.565 -10.065 -6.412 748 HH2 TRP 95 HH2 TRP 95 -5.529 -9.017 -5.321 749 H ASN 96 H ASN 96 -1.680 -8.162 -13.839 750 HA ASN 96 HA ASN 96 -0.418 -10.700 -13.807 751 1HB ASN 96 2HB ASN 96 0.626 -8.056 -14.869 752 2HB ASN 96 1HB ASN 96 1.308 -9.636 -15.254 753 1HD2 ASN 96 1HD2 ASN 96 0.725 -9.514 -17.525 754 2HD2 ASN 96 2HD2 ASN 96 -0.891 -9.598 -18.039 755 HA PRO 97 HA PRO 97 2.473 -10.316 -10.523 756 1HB PRO 97 2HB PRO 97 4.265 -12.231 -11.346 757 2HB PRO 97 1HB PRO 97 2.686 -12.608 -10.634 758 1HG PRO 97 2HG PRO 97 3.553 -12.795 -13.481 759 2HG PRO 97 1HG PRO 97 2.289 -13.700 -12.631 760 1HD PRO 97 2HD PRO 97 1.873 -11.510 -14.381 761 2HD PRO 97 1HD PRO 97 0.668 -12.212 -13.279 762 H HIS 98 H HIS 98 4.168 -10.779 -13.659 763 HA HIS 98 HA HIS 98 6.549 -9.425 -12.955 764 1HB HIS 98 2HB HIS 98 5.303 -9.372 -15.713 765 2HB HIS 98 1HB HIS 98 7.017 -9.305 -15.303 766 HD1 HIS 98 HD1 HIS 98 6.254 -11.527 -17.162 767 HD2 HIS 98 HD2 HIS 98 6.058 -11.966 -13.020 768 HE1 HIS 98 HE1 HIS 98 6.349 -14.014 -16.700 769 H CYS 99 H CYS 99 3.398 -8.162 -13.523 770 HA CYS 99 HA CYS 99 4.122 -5.534 -14.435 771 1HB CYS 99 2HB CYS 99 1.717 -6.913 -13.595 772 2HB CYS 99 1HB CYS 99 1.774 -5.294 -12.899 773 HG CYS 99 HG CYS 99 0.848 -4.788 -15.200 774 H ILE 100 H ILE 100 3.555 -6.879 -11.179 775 HA ILE 100 HA ILE 100 3.992 -4.391 -9.800 776 HB ILE 100 HB ILE 100 3.977 -7.293 -9.002 777 1HG1 ILE 100 2HG1 ILE 100 2.451 -5.069 -7.696 778 2HG1 ILE 100 1HG1 ILE 100 1.964 -5.592 -9.308 779 1HG2 ILE 100 1HG2 ILE 100 5.662 -6.640 -7.522 780 2HG2 ILE 100 2HG2 ILE 100 4.215 -6.255 -6.591 781 3HG2 ILE 100 3HG2 ILE 100 5.083 -4.976 -7.440 782 1HD1 ILE 100 1HD1 ILE 100 2.453 -7.921 -7.712 783 2HD1 ILE 100 2HD1 ILE 100 0.932 -7.386 -8.431 784 3HD1 ILE 100 3HD1 ILE 100 1.383 -6.843 -6.814 785 H ARG 101 H ARG 101 6.130 -6.766 -11.184 786 HA ARG 101 HA ARG 101 8.473 -6.002 -9.642 787 1HB ARG 101 2HB ARG 101 8.183 -8.200 -10.867 788 2HB ARG 101 1HB ARG 101 8.406 -7.311 -12.374 789 1HG ARG 101 2HG ARG 101 10.464 -6.668 -10.403 790 2HG ARG 101 1HG ARG 101 10.437 -8.385 -10.803 791 1HD ARG 101 2HD ARG 101 10.157 -6.587 -13.126 792 2HD ARG 101 1HD ARG 101 11.712 -6.479 -12.298 793 HE ARG 101 HE ARG 101 11.058 -9.235 -12.676 794 1HH1 ARG 101 1HH2 ARG 101 10.752 -6.991 -15.082 795 2HH1 ARG 101 2HH2 ARG 101 12.059 -7.566 -16.062 796 1HH2 ARG 101 2HH1 ARG 101 13.272 -9.732 -13.641 797 2HH2 ARG 101 1HH1 ARG 101 13.485 -9.117 -15.247 798 H ASP 102 H ASP 102 7.397 -5.313 -12.989 799 HA ASP 102 HA ASP 102 9.513 -3.516 -13.625 800 1HB ASP 102 2HB ASP 102 8.120 -4.326 -15.406 801 2HB ASP 102 1HB ASP 102 6.663 -3.703 -14.632 802 H ALA 103 H ALA 103 6.421 -3.012 -11.979 803 HA ALA 103 HA ALA 103 6.569 -0.136 -11.938 804 1HB ALA 103 1HB ALA 103 4.704 -0.220 -10.522 805 2HB ALA 103 2HB ALA 103 5.219 -1.731 -9.774 806 3HB ALA 103 3HB ALA 103 4.561 -1.737 -11.409 807 H LEU 104 H LEU 104 7.090 -2.453 -9.250 808 HA LEU 104 HA LEU 104 8.167 -0.723 -7.368 809 1HB LEU 104 2HB LEU 104 7.942 -3.451 -7.573 810 2HB LEU 104 1HB LEU 104 9.692 -3.234 -7.609 811 HG LEU 104 HG LEU 104 8.837 -1.482 -5.613 812 1HD1 LEU 104 1HD1 LEU 104 7.308 -4.098 -5.515 813 2HD1 LEU 104 2HD1 LEU 104 6.630 -2.470 -5.535 814 3HD1 LEU 104 3HD1 LEU 104 7.521 -3.036 -4.123 815 1HD2 LEU 104 1HD2 LEU 104 10.868 -2.814 -5.517 816 2HD2 LEU 104 2HD2 LEU 104 9.932 -4.308 -5.470 817 3HD2 LEU 104 3HD2 LEU 104 9.887 -3.197 -4.102 818 H GLU 105 H GLU 105 9.738 -1.988 -10.262 819 HA GLU 105 HA GLU 105 12.396 -1.100 -9.552 820 1HB GLU 105 2HB GLU 105 11.634 -2.801 -11.387 821 2HB GLU 105 1HB GLU 105 11.449 -1.366 -12.396 822 1HG GLU 105 2HG GLU 105 13.922 -1.007 -11.150 823 2HG GLU 105 1HG GLU 105 13.886 -2.723 -11.554 824 H ASP 106 H ASP 106 9.774 0.328 -11.503 825 HA ASP 106 HA ASP 106 11.223 2.649 -12.324 826 1HB ASP 106 2HB ASP 106 8.374 1.827 -12.199 827 2HB ASP 106 1HB ASP 106 8.671 3.566 -12.219 828 H ALA 107 H ALA 107 9.122 2.074 -9.500 829 HA ALA 107 HA ALA 107 9.194 4.690 -8.424 830 1HB ALA 107 1HB ALA 107 7.812 2.692 -7.621 831 2HB ALA 107 2HB ALA 107 8.501 3.713 -6.358 832 3HB ALA 107 3HB ALA 107 9.257 2.169 -6.753 833 H LEU 108 H LEU 108 11.448 1.967 -7.932 834 HA LEU 108 HA LEU 108 13.140 2.998 -5.996 835 1HB LEU 108 2HB LEU 108 13.353 0.807 -7.353 836 2HB LEU 108 1HB LEU 108 14.271 1.771 -8.511 837 HG LEU 108 HG LEU 108 15.719 2.520 -6.554 838 1HD1 LEU 108 1HD1 LEU 108 13.731 0.974 -5.159 839 2HD1 LEU 108 2HD1 LEU 108 15.044 1.941 -4.488 840 3HD1 LEU 108 3HD1 LEU 108 15.319 0.249 -4.903 841 1HD2 LEU 108 1HD2 LEU 108 16.524 -0.120 -6.384 842 2HD2 LEU 108 2HD2 LEU 108 16.984 0.999 -7.668 843 3HD2 LEU 108 3HD2 LEU 108 15.617 -0.092 -7.897 844 H ASP 109 H ASP 109 13.050 3.892 -9.437 845 HA ASP 109 HA ASP 109 15.018 6.056 -8.825 846 1HB ASP 109 2HB ASP 109 14.407 4.451 -11.269 847 2HB ASP 109 1HB ASP 109 14.935 6.119 -11.494 848 H VAL 110 H VAL 110 14.599 8.122 -10.099 849 HA VAL 110 HA VAL 110 12.149 8.839 -11.254 850 HB VAL 110 HB VAL 110 10.964 8.247 -9.261 851 1HG1 VAL 110 1HG1 VAL 110 12.961 8.124 -7.792 852 2HG1 VAL 110 2HG1 VAL 110 11.648 9.027 -7.036 853 3HG1 VAL 110 3HG1 VAL 110 13.016 9.886 -7.742 854 1HG2 VAL 110 1HG2 VAL 110 10.036 10.373 -8.553 855 2HG2 VAL 110 2HG2 VAL 110 10.439 10.501 -10.265 856 3HG2 VAL 110 3HG2 VAL 110 11.496 11.226 -9.054 857 H ILE 111 HN ILE 111 13.276 10.396 -12.393 858 HA ILE 111 HA ILE 111 14.474 12.603 -10.768 859 HB ILE 111 HB ILE 111 16.288 12.810 -12.306 860 1HG1 ILE 111 2HG1 ILE 111 14.951 10.686 -14.014 861 2HG1 ILE 111 1HG1 ILE 111 14.866 12.416 -14.347 862 1HG2 ILE 111 1HG2 ILE 111 15.688 10.263 -11.063 863 2HG2 ILE 111 2HG2 ILE 111 17.241 11.081 -11.223 864 3HG2 ILE 111 3HG2 ILE 111 16.663 10.027 -12.513 865 1HD1 ILE 111 1HD1 ILE 111 17.428 12.398 -14.291 866 2HD1 ILE 111 2HD1 ILE 111 16.671 11.613 -15.677 867 3HD1 ILE 111 3HD1 ILE 111 17.310 10.640 -14.354 Start of MODEL 14 1 1H VAL 1 1H VAL 1 24.816 -3.743 0.983 2 2H VAL 1 2H VAL 1 25.285 -4.230 2.542 3 3H VAL 1 3H VAL 1 23.764 -3.516 2.294 4 HA VAL 1 HA VAL 1 24.063 -5.776 0.614 5 HB VAL 1 HB VAL 1 24.490 -6.153 3.592 6 1HG1 VAL 1 1HG1 VAL 1 22.757 -7.691 2.561 7 2HG1 VAL 1 2HG1 VAL 1 24.164 -8.512 3.238 8 3HG1 VAL 1 3HG1 VAL 1 24.027 -8.289 1.493 9 1HG2 VAL 1 1HG2 VAL 1 26.632 -6.038 2.775 10 2HG2 VAL 1 2HG2 VAL 1 26.137 -6.441 1.131 11 3HG2 VAL 1 3HG2 VAL 1 26.307 -7.716 2.338 12 H THR 2 H THR 2 22.650 -4.419 3.597 13 HA THR 2 HA THR 2 20.072 -5.695 3.124 14 HB THR 2 HB THR 2 19.980 -3.360 4.862 15 HG1 THR 2 HG1 THR 2 21.464 -4.317 6.388 16 1HG2 THR 2 1HG2 THR 2 18.431 -5.297 4.912 17 2HG2 THR 2 2HG2 THR 2 19.213 -5.042 6.472 18 3HG2 THR 2 3HG2 THR 2 19.767 -6.335 5.407 19 H ALA 3 H ALA 3 18.102 -4.526 2.571 20 HA ALA 3 HA ALA 3 18.272 -1.779 1.611 21 1HB ALA 3 1HB ALA 3 18.152 -4.088 -0.336 22 2HB ALA 3 2HB ALA 3 19.276 -2.729 -0.331 23 3HB ALA 3 3HB ALA 3 17.584 -2.472 -0.758 24 H GLU 4 H GLU 4 16.324 -4.649 0.703 25 HA GLU 4 HA GLU 4 14.028 -5.058 0.990 26 1HB GLU 4 2HB GLU 4 14.146 -2.834 3.047 27 2HB GLU 4 1HB GLU 4 12.930 -4.106 2.925 28 1HG GLU 4 2HG GLU 4 14.802 -5.784 3.257 29 2HG GLU 4 1HG GLU 4 15.856 -4.422 3.642 30 H ILE 5 H ILE 5 11.839 -3.554 1.126 31 HA ILE 5 HA ILE 5 12.275 -1.201 -0.655 32 HB ILE 5 HB ILE 5 10.038 -3.186 -1.101 33 1HG1 ILE 5 2HG1 ILE 5 12.614 -3.061 -2.685 34 2HG1 ILE 5 1HG1 ILE 5 12.387 -4.189 -1.348 35 1HG2 ILE 5 1HG2 ILE 5 9.387 -1.664 -2.622 36 2HG2 ILE 5 2HG2 ILE 5 10.951 -1.790 -3.428 37 3HG2 ILE 5 3HG2 ILE 5 10.718 -0.613 -2.135 38 1HD1 ILE 5 1HD1 ILE 5 11.775 -4.890 -3.837 39 2HD1 ILE 5 2HD1 ILE 5 10.270 -4.053 -3.459 40 3HD1 ILE 5 3HD1 ILE 5 10.786 -5.424 -2.478 41 H ARG 6 H ARG 6 11.001 0.534 -0.108 42 HA ARG 6 HA ARG 6 9.113 0.139 2.156 43 1HB ARG 6 2HB ARG 6 10.706 2.446 1.105 44 2HB ARG 6 1HB ARG 6 9.202 2.792 1.960 45 1HG ARG 6 2HG ARG 6 10.592 2.708 3.786 46 2HG ARG 6 1HG ARG 6 10.249 0.982 3.658 47 1HD ARG 6 2HD ARG 6 12.293 0.578 2.466 48 2HD ARG 6 1HD ARG 6 12.582 2.305 2.255 49 HE ARG 6 HE ARG 6 12.554 2.100 4.967 50 1HH1 ARG 6 2HH1 ARG 6 13.380 -0.701 3.405 51 2HH1 ARG 6 1HH1 ARG 6 15.016 -0.768 3.970 52 1HH2 ARG 6 1HH2 ARG 6 14.963 2.428 5.313 53 2HH2 ARG 6 2HH2 ARG 6 15.912 1.003 5.050 54 H LEU 7 H LEU 7 7.011 -0.112 1.568 55 HA LEU 7 HA LEU 7 5.938 1.645 -0.577 56 1HB LEU 7 2HB LEU 7 4.578 -0.427 -1.340 57 2HB LEU 7 1HB LEU 7 6.263 -0.317 -1.846 58 HG LEU 7 HG LEU 7 6.226 -1.568 0.713 59 1HD1 LEU 7 1HD1 LEU 7 4.790 -3.503 -0.876 60 2HD1 LEU 7 2HD1 LEU 7 3.809 -2.052 -0.672 61 3HD1 LEU 7 3HD1 LEU 7 4.420 -2.909 0.743 62 1HD2 LEU 7 1HD2 LEU 7 6.615 -3.427 -1.449 63 2HD2 LEU 7 2HD2 LEU 7 7.828 -2.705 -0.393 64 3HD2 LEU 7 3HD2 LEU 7 7.352 -1.883 -1.879 65 H TYR 8 H TYR 8 3.441 1.449 -0.583 66 HA TYR 8 HA TYR 8 2.401 0.830 2.139 67 1HB TYR 8 2HB TYR 8 2.990 3.327 1.779 68 2HB TYR 8 1HB TYR 8 1.602 3.355 0.692 69 HD1 TYR 8 HD1 TYR 8 2.566 2.256 4.147 70 HD2 TYR 8 HD2 TYR 8 -0.531 3.743 1.565 71 HE1 TYR 8 HE1 TYR 8 1.041 2.463 6.094 72 HE2 TYR 8 HE2 TYR 8 -2.056 3.949 3.513 73 HH TYR 8 HH TYR 8 -1.923 4.166 5.935 74 H ILE 9 H ILE 9 0.605 -0.414 1.941 75 HA ILE 9 HA ILE 9 -0.917 -0.265 -0.632 76 HB ILE 9 HB ILE 9 -0.853 -2.603 1.291 77 1HG1 ILE 9 2HG1 ILE 9 0.803 -2.145 -1.212 78 2HG1 ILE 9 1HG1 ILE 9 1.425 -2.158 0.438 79 1HG2 ILE 9 1HG2 ILE 9 -1.336 -2.978 -1.594 80 2HG2 ILE 9 2HG2 ILE 9 -2.569 -2.023 -0.769 81 3HG2 ILE 9 3HG2 ILE 9 -2.197 -3.655 -0.212 82 1HD1 ILE 9 1HD1 ILE 9 1.208 -4.371 -1.239 83 2HD1 ILE 9 2HD1 ILE 9 -0.168 -4.532 -0.148 84 3HD1 ILE 9 3HD1 ILE 9 1.466 -4.415 0.504 85 H THR 10 H THR 10 -3.132 0.072 -0.504 86 HA THR 10 HA THR 10 -4.216 1.241 1.869 87 HB THR 10 HB THR 10 -5.843 0.004 -0.362 88 HG1 THR 10 HG1 THR 10 -5.593 2.241 -1.203 89 1HG2 THR 10 1HG2 THR 10 -6.952 2.413 0.322 90 2HG2 THR 10 2HG2 THR 10 -6.305 1.873 1.871 91 3HG2 THR 10 3HG2 THR 10 -7.452 0.861 0.994 92 H GLU 11 H GLU 11 -5.289 0.329 3.585 93 HA GLU 11 HA GLU 11 -5.118 -2.501 4.031 94 1HB GLU 11 2HB GLU 11 -6.287 -0.162 5.445 95 2HB GLU 11 1HB GLU 11 -6.965 -1.739 5.852 96 1HG GLU 11 2HG GLU 11 -4.221 -2.202 5.785 97 2HG GLU 11 1HG GLU 11 -4.359 -0.614 6.540 98 H GLY 12 H GLY 12 -7.076 -3.897 4.473 99 1HA GLY 12 2HA GLY 12 -9.665 -3.261 3.468 100 2HA GLY 12 1HA GLY 12 -8.755 -4.062 2.187 101 H GLU 13 H GLU 13 -10.970 -5.355 3.121 102 HA GLU 13 HA GLU 13 -9.753 -7.684 4.510 103 1HB GLU 13 2HB GLU 13 -10.931 -6.321 6.230 104 2HB GLU 13 1HB GLU 13 -12.417 -6.458 5.288 105 1HG GLU 13 2HG GLU 13 -11.376 -9.085 5.570 106 2HG GLU 13 1HG GLU 13 -11.315 -8.334 7.165 107 H VAL 14 H VAL 14 -10.198 -7.559 1.791 108 HA VAL 14 HA VAL 14 -12.673 -9.207 1.445 109 HB VAL 14 HB VAL 14 -11.438 -8.008 -0.967 110 1HG1 VAL 14 1HG1 VAL 14 -13.530 -9.267 -1.065 111 2HG1 VAL 14 2HG1 VAL 14 -13.844 -7.576 -1.459 112 3HG1 VAL 14 3HG1 VAL 14 -14.256 -8.201 0.138 113 1HG2 VAL 14 1HG2 VAL 14 -12.522 -5.793 -0.514 114 2HG2 VAL 14 2HG2 VAL 14 -11.161 -6.122 0.558 115 3HG2 VAL 14 3HG2 VAL 14 -12.812 -6.313 1.146 116 H GLU 15 H GLU 15 -12.393 -10.728 -0.551 117 HA GLU 15 HA GLU 15 -10.145 -12.453 -0.019 118 1HB GLU 15 2HB GLU 15 -10.966 -13.600 -2.172 119 2HB GLU 15 1HB GLU 15 -12.109 -13.516 -0.830 120 1HG GLU 15 2HG GLU 15 -13.393 -11.859 -1.849 121 2HG GLU 15 1HG GLU 15 -12.057 -11.300 -2.855 122 H ASP 16 H ASP 16 -10.670 -9.795 -2.208 123 HA ASP 16 HA ASP 16 -8.624 -10.445 -4.122 124 1HB ASP 16 2HB ASP 16 -9.466 -7.650 -3.326 125 2HB ASP 16 1HB ASP 16 -8.854 -8.192 -4.887 126 H TYR 17 H TYR 17 -8.578 -8.165 -1.355 127 HA TYR 17 HA TYR 17 -5.867 -7.456 -1.467 128 1HB TYR 17 2HB TYR 17 -7.763 -6.683 0.160 129 2HB TYR 17 1HB TYR 17 -7.190 -8.001 1.181 130 HD1 TYR 17 HD1 TYR 17 -5.348 -7.668 2.596 131 HD2 TYR 17 HD2 TYR 17 -5.952 -5.033 -0.745 132 HE1 TYR 17 HE1 TYR 17 -3.471 -6.247 3.377 133 HE2 TYR 17 HE2 TYR 17 -4.075 -3.611 0.036 134 HH TYR 17 HH TYR 17 -2.981 -3.286 2.647 135 H ARG 18 H ARG 18 -7.351 -10.341 -0.027 136 HA ARG 18 HA ARG 18 -4.978 -11.374 1.188 137 1HB ARG 18 2HB ARG 18 -7.660 -12.198 0.883 138 2HB ARG 18 1HB ARG 18 -6.680 -13.484 0.177 139 1HG ARG 18 2HG ARG 18 -5.230 -13.282 2.309 140 2HG ARG 18 1HG ARG 18 -6.593 -12.390 2.987 141 1HD ARG 18 2HD ARG 18 -7.141 -15.003 1.636 142 2HD ARG 18 1HD ARG 18 -6.433 -15.029 3.251 143 HE ARG 18 HE ARG 18 -9.168 -14.436 2.672 144 1HH1 ARG 18 1HH2 ARG 18 -7.781 -15.110 5.353 145 2HH1 ARG 18 2HH2 ARG 18 -8.174 -13.694 6.271 146 1HH2 ARG 18 2HH1 ARG 18 -9.125 -11.839 3.501 147 2HH2 ARG 18 1HH1 ARG 18 -8.934 -11.843 5.222 148 H VAL 19 H VAL 19 -6.365 -11.831 -2.061 149 HA VAL 19 HA VAL 19 -4.472 -13.755 -2.976 150 HB VAL 19 HB VAL 19 -5.941 -11.621 -4.552 151 1HG1 VAL 19 1HG1 VAL 19 -4.191 -12.452 -5.938 152 2HG1 VAL 19 2HG1 VAL 19 -5.621 -13.375 -6.401 153 3HG1 VAL 19 3HG1 VAL 19 -4.406 -14.101 -5.349 154 1HG2 VAL 19 1HG2 VAL 19 -6.731 -14.165 -3.306 155 2HG2 VAL 19 2HG2 VAL 19 -7.133 -14.068 -5.021 156 3HG2 VAL 19 3HG2 VAL 19 -7.739 -12.846 -3.903 157 H PHE 20 H PHE 20 -4.420 -10.187 -3.125 158 HA PHE 20 HA PHE 20 -1.985 -9.967 -4.591 159 1HB PHE 20 2HB PHE 20 -3.829 -8.196 -3.629 160 2HB PHE 20 1HB PHE 20 -2.479 -7.908 -2.534 161 HD1 PHE 20 HD1 PHE 20 -3.346 -8.204 -6.157 162 HD2 PHE 20 HD2 PHE 20 -0.610 -6.637 -3.237 163 HE1 PHE 20 HE1 PHE 20 -2.191 -6.914 -7.933 164 HE2 PHE 20 HE2 PHE 20 0.547 -5.347 -5.013 165 HZ PHE 20 HZ PHE 20 -0.244 -5.485 -7.362 166 H LEU 21 H LEU 21 -2.576 -9.962 -1.063 167 HA LEU 21 HA LEU 21 0.196 -9.751 -0.345 168 1HB LEU 21 2HB LEU 21 -2.175 -9.695 1.041 169 2HB LEU 21 1HB LEU 21 -1.526 -11.269 1.506 170 HG LEU 21 HG LEU 21 0.673 -10.081 1.992 171 1HD1 LEU 21 1HD1 LEU 21 0.227 -8.041 0.701 172 2HD1 LEU 21 2HD1 LEU 21 0.496 -7.638 2.397 173 3HD1 LEU 21 3HD1 LEU 21 -1.143 -7.663 1.744 174 1HD2 LEU 21 1HD2 LEU 21 -1.400 -10.627 3.604 175 2HD2 LEU 21 2HD2 LEU 21 -1.413 -8.869 3.749 176 3HD2 LEU 21 3HD2 LEU 21 0.033 -9.780 4.188 177 H GLU 22 H GLU 22 -1.735 -12.367 -1.509 178 HA GLU 22 HA GLU 22 -0.124 -14.517 -0.413 179 1HB GLU 22 2HB GLU 22 -2.518 -14.290 -1.916 180 2HB GLU 22 1HB GLU 22 -1.403 -15.252 -2.889 181 1HG GLU 22 2HG GLU 22 -2.781 -16.620 -1.292 182 2HG GLU 22 1HG GLU 22 -1.042 -16.797 -1.057 183 H ARG 23 H ARG 23 -0.381 -13.149 -3.716 184 HA ARG 23 HA ARG 23 1.810 -14.576 -4.816 185 1HB ARG 23 2HB ARG 23 0.828 -11.792 -5.518 186 2HB ARG 23 1HB ARG 23 1.866 -12.796 -6.531 187 1HG ARG 23 2HG ARG 23 -0.646 -14.064 -5.582 188 2HG ARG 23 1HG ARG 23 -0.829 -12.769 -6.767 189 1HD ARG 23 2HD ARG 23 -0.071 -14.086 -8.430 190 2HD ARG 23 1HD ARG 23 1.357 -14.533 -7.495 191 HE ARG 23 HE ARG 23 -0.835 -15.974 -6.423 192 1HH1 ARG 23 2HH1 ARG 23 1.859 -16.894 -7.731 193 2HH1 ARG 23 1HH1 ARG 23 1.244 -17.998 -8.916 194 1HH2 ARG 23 1HH2 ARG 23 -2.026 -16.875 -8.647 195 2HH2 ARG 23 2HH2 ARG 23 -0.957 -17.986 -9.435 196 H LEU 24 H LEU 24 1.751 -11.282 -3.408 197 HA LEU 24 HA LEU 24 4.419 -10.574 -3.668 198 1HB LEU 24 2HB LEU 24 2.321 -10.031 -1.637 199 2HB LEU 24 1HB LEU 24 3.982 -9.703 -1.139 200 HG LEU 24 HG LEU 24 3.348 -8.758 -3.852 201 1HD1 LEU 24 1HD1 LEU 24 2.288 -6.714 -2.259 202 2HD1 LEU 24 2HD1 LEU 24 1.527 -8.185 -1.654 203 3HD1 LEU 24 3HD1 LEU 24 1.387 -7.756 -3.359 204 1HD2 LEU 24 1HD2 LEU 24 5.324 -8.322 -2.076 205 2HD2 LEU 24 2HD2 LEU 24 4.261 -6.986 -1.635 206 3HD2 LEU 24 3HD2 LEU 24 4.867 -7.123 -3.285 207 H GLU 25 H GLU 25 3.023 -12.708 -1.173 208 HA GLU 25 HA GLU 25 5.465 -13.173 0.241 209 1HB GLU 25 2HB GLU 25 3.075 -15.013 -0.096 210 2HB GLU 25 1HB GLU 25 4.325 -15.169 1.138 211 1HG GLU 25 2HG GLU 25 3.089 -12.495 0.994 212 2HG GLU 25 1HG GLU 25 1.986 -13.783 1.480 213 H GLN 26 H GLN 26 3.840 -15.168 -2.256 214 HA GLN 26 HA GLN 26 5.844 -17.138 -2.510 215 1HB GLN 26 2HB GLN 26 3.544 -17.076 -3.631 216 2HB GLN 26 1HB GLN 26 4.275 -16.028 -4.848 217 1HG GLN 26 2HG GLN 26 5.699 -17.709 -5.635 218 2HG GLN 26 1HG GLN 26 5.593 -18.634 -4.136 219 1HE2 GLN 26 1HE2 GLN 26 2.622 -17.338 -5.469 220 2HE2 GLN 26 2HE2 GLN 26 2.010 -18.814 -6.044 221 H SER 27 H SER 27 5.906 -13.810 -3.411 222 HA SER 27 HA SER 27 7.845 -13.940 -5.523 223 1HB SER 27 2HB SER 27 7.562 -11.676 -3.539 224 2HB SER 27 1HB SER 27 8.108 -11.587 -5.211 225 HG SER 27 HG SER 27 6.089 -11.262 -5.668 226 H GLY 28 H GLY 28 8.422 -12.777 -2.184 227 1HA GLY 28 2HA GLY 28 10.172 -14.020 -0.851 228 2HA GLY 28 1HA GLY 28 11.108 -14.088 -2.346 229 H LEU 29 H LEU 29 10.069 -11.254 -2.933 230 HA LEU 29 HA LEU 29 12.353 -9.828 -2.019 231 1HB LEU 29 2HB LEU 29 11.112 -7.797 -2.725 232 2HB LEU 29 1HB LEU 29 11.013 -9.075 -3.936 233 HG LEU 29 HG LEU 29 8.856 -9.614 -2.281 234 1HD1 LEU 29 1HD1 LEU 29 7.881 -7.683 -1.529 235 2HD1 LEU 29 2HD1 LEU 29 8.498 -6.726 -2.877 236 3HD1 LEU 29 3HD1 LEU 29 9.549 -7.109 -1.514 237 1HD2 LEU 29 1HD2 LEU 29 9.384 -8.676 -4.982 238 2HD2 LEU 29 2HD2 LEU 29 7.877 -7.999 -4.363 239 3HD2 LEU 29 3HD2 LEU 29 8.106 -9.748 -4.408 240 H GLU 30 H GLU 30 12.544 -8.227 -0.347 241 HA GLU 30 HA GLU 30 10.713 -8.731 1.945 242 1HB GLU 30 2HB GLU 30 13.506 -7.612 1.705 243 2HB GLU 30 1HB GLU 30 12.557 -7.388 3.174 244 1HG GLU 30 2HG GLU 30 12.182 -10.049 2.747 245 2HG GLU 30 1HG GLU 30 13.807 -9.844 2.093 246 H TRP 31 H TRP 31 8.993 -7.330 1.834 247 HA TRP 31 HA TRP 31 9.554 -4.490 1.109 248 1HB TRP 31 2HB TRP 31 7.146 -4.300 0.699 249 2HB TRP 31 1HB TRP 31 7.799 -5.666 -0.205 250 HD1 TRP 31 HD1 TRP 31 7.142 -8.099 0.567 251 HE1 TRP 31 HE1 TRP 31 5.288 -8.992 2.121 252 HE3 TRP 31 HE3 TRP 31 5.755 -3.755 2.867 253 HZ2 TRP 31 HZ2 TRP 31 3.457 -7.991 4.083 254 HZ3 TRP 31 HZ3 TRP 31 3.955 -3.750 4.572 255 HH2 TRP 31 HH2 TRP 31 2.806 -5.861 5.182 256 H ARG 32 H ARG 32 8.200 -2.871 2.382 257 HA ARG 32 HA ARG 32 7.549 -3.743 5.133 258 1HB ARG 32 2HB ARG 32 9.983 -2.346 4.416 259 2HB ARG 32 1HB ARG 32 8.990 -1.348 5.481 260 1HG ARG 32 2HG ARG 32 8.774 -3.297 7.032 261 2HG ARG 32 1HG ARG 32 9.885 -4.199 5.999 262 1HD ARG 32 2HD ARG 32 11.295 -3.301 7.661 263 2HD ARG 32 1HD ARG 32 11.482 -2.179 6.314 264 HE ARG 32 HE ARG 32 9.408 -1.483 8.295 265 1HH1 ARG 32 2HH1 ARG 32 11.701 -0.250 6.260 266 2HH1 ARG 32 1HH1 ARG 32 12.367 0.895 7.377 267 1HH2 ARG 32 1HH2 ARG 32 10.652 -0.374 10.110 268 2HH2 ARG 32 2HH2 ARG 32 11.772 0.826 9.555 269 HA PRO 33 HA PRO 33 4.418 -0.717 4.466 270 1HB PRO 33 2HB PRO 33 3.530 -0.549 7.063 271 2HB PRO 33 1HB PRO 33 3.154 -1.905 5.985 272 1HG PRO 33 2HG PRO 33 5.065 -1.798 8.271 273 2HG PRO 33 1HG PRO 33 4.205 -3.190 7.591 274 1HD PRO 33 2HD PRO 33 6.921 -2.531 7.132 275 2HD PRO 33 1HD PRO 33 5.963 -3.716 6.218 276 H ALA 34 H ALA 34 5.326 1.304 4.014 277 HA ALA 34 HA ALA 34 6.567 2.803 6.273 278 1HB ALA 34 1HB ALA 34 6.581 3.689 3.393 279 2HB ALA 34 2HB ALA 34 7.722 2.472 3.966 280 3HB ALA 34 3HB ALA 34 7.725 4.087 4.674 281 H THR 35 H THR 35 6.122 5.383 4.984 282 HA THR 35 HA THR 35 3.256 5.710 5.723 283 HB THR 35 HB THR 35 3.898 8.177 5.776 284 HG1 THR 35 HG1 THR 35 5.731 8.215 4.586 285 1HG2 THR 35 1HG2 THR 35 5.565 6.432 7.599 286 2HG2 THR 35 2HG2 THR 35 3.818 6.598 7.770 287 3HG2 THR 35 3HG2 THR 35 4.861 8.007 7.961 288 HA PRO 36 HA PRO 36 2.134 6.639 1.586 289 1HB PRO 36 2HB PRO 36 0.041 8.362 2.053 290 2HB PRO 36 1HB PRO 36 -0.056 6.610 2.302 291 1HG PRO 36 2HG PRO 36 0.156 8.784 4.332 292 2HG PRO 36 1HG PRO 36 -0.555 7.169 4.487 293 1HD PRO 36 2HD PRO 36 1.987 7.958 5.448 294 2HD PRO 36 1HD PRO 36 1.403 6.288 5.291 295 H GLU 37 H GLU 37 3.559 8.936 3.581 296 HA GLU 37 HA GLU 37 3.394 11.091 1.528 297 1HB GLU 37 2HB GLU 37 3.726 11.026 4.446 298 2HB GLU 37 1HB GLU 37 4.874 12.096 3.641 299 1HG GLU 37 2HG GLU 37 3.042 13.241 2.485 300 2HG GLU 37 1HG GLU 37 1.871 12.142 3.216 301 H ASP 38 H ASP 38 5.464 8.645 2.765 302 HA ASP 38 HA ASP 38 7.632 9.610 0.982 303 1HB ASP 38 2HB ASP 38 7.786 9.291 3.945 304 2HB ASP 38 1HB ASP 38 9.171 8.743 3.001 305 H ALA 39 H ALA 39 5.720 7.451 0.721 306 HA ALA 39 HA ALA 39 7.138 4.975 1.403 307 1HB ALA 39 1HB ALA 39 4.957 4.353 1.361 308 2HB ALA 39 2HB ALA 39 5.164 4.269 -0.388 309 3HB ALA 39 3HB ALA 39 4.496 5.723 0.351 310 H ASP 40 H ASP 40 8.673 4.066 0.128 311 HA ASP 40 HA ASP 40 9.706 5.204 -2.217 312 1HB ASP 40 2HB ASP 40 10.509 3.165 -0.700 313 2HB ASP 40 1HB ASP 40 9.732 2.221 -1.971 314 H ALA 41 H ALA 41 6.987 3.002 -1.824 315 HA ALA 41 HA ALA 41 6.160 3.587 -4.591 316 1HB ALA 41 1HB ALA 41 5.743 1.043 -4.904 317 2HB ALA 41 2HB ALA 41 6.928 0.839 -3.614 318 3HB ALA 41 3HB ALA 41 7.390 1.641 -5.115 319 H VAL 42 H VAL 42 4.098 4.262 -4.235 320 HA VAL 42 HA VAL 42 2.544 3.081 -2.011 321 HB VAL 42 HB VAL 42 1.429 5.154 -3.868 322 1HG1 VAL 42 1HG1 VAL 42 -0.108 4.749 -2.205 323 2HG1 VAL 42 2HG1 VAL 42 0.865 5.958 -1.368 324 3HG1 VAL 42 3HG1 VAL 42 1.122 4.242 -1.047 325 1HG2 VAL 42 1HG2 VAL 42 3.316 6.401 -3.568 326 2HG2 VAL 42 2HG2 VAL 42 3.868 5.414 -2.214 327 3HG2 VAL 42 3HG2 VAL 42 2.659 6.672 -1.953 328 H ILE 43 H ILE 43 1.615 1.151 -2.568 329 HA ILE 43 HA ILE 43 0.604 0.752 -5.316 330 HB ILE 43 HB ILE 43 0.723 -1.090 -2.910 331 1HG1 ILE 43 2HG1 ILE 43 2.217 -1.928 -5.223 332 2HG1 ILE 43 1HG1 ILE 43 2.669 -0.272 -4.813 333 1HG2 ILE 43 1HG2 ILE 43 -0.993 -2.085 -4.074 334 2HG2 ILE 43 2HG2 ILE 43 0.355 -2.739 -5.003 335 3HG2 ILE 43 3HG2 ILE 43 -0.530 -1.337 -5.602 336 1HD1 ILE 43 1HD1 ILE 43 3.094 -2.778 -3.290 337 2HD1 ILE 43 2HD1 ILE 43 2.607 -1.378 -2.334 338 3HD1 ILE 43 3HD1 ILE 43 4.063 -1.306 -3.327 339 H VAL 44 H VAL 44 -1.316 1.863 -5.574 340 HA VAL 44 HA VAL 44 -3.336 1.780 -3.417 341 HB VAL 44 HB VAL 44 -3.514 3.103 -6.138 342 1HG1 VAL 44 1HG1 VAL 44 -5.453 2.633 -4.203 343 2HG1 VAL 44 2HG1 VAL 44 -5.533 3.867 -5.460 344 3HG1 VAL 44 3HG1 VAL 44 -4.921 4.279 -3.858 345 1HG2 VAL 44 1HG2 VAL 44 -2.475 4.988 -5.283 346 2HG2 VAL 44 2HG2 VAL 44 -1.603 3.745 -4.387 347 3HG2 VAL 44 3HG2 VAL 44 -2.934 4.615 -3.622 348 H LEU 45 H LEU 45 -5.085 0.441 -3.465 349 HA LEU 45 HA LEU 45 -5.404 -1.303 -5.861 350 1HB LEU 45 2HB LEU 45 -5.639 -1.705 -2.978 351 2HB LEU 45 1HB LEU 45 -7.063 -2.282 -3.844 352 HG LEU 45 HG LEU 45 -5.290 -4.029 -3.634 353 1HD1 LEU 45 1HD1 LEU 45 -6.159 -2.972 -6.315 354 2HD1 LEU 45 2HD1 LEU 45 -6.715 -4.409 -5.457 355 3HD1 LEU 45 3HD1 LEU 45 -5.124 -4.397 -6.218 356 1HD2 LEU 45 1HD2 LEU 45 -3.232 -3.757 -4.978 357 2HD2 LEU 45 2HD2 LEU 45 -3.342 -2.512 -3.734 358 3HD2 LEU 45 3HD2 LEU 45 -3.731 -2.122 -5.410 359 H ALA 46 H ALA 46 -7.295 -1.224 -7.045 360 HA ALA 46 HA ALA 46 -9.241 0.882 -6.296 361 1HB ALA 46 1HB ALA 46 -9.395 1.189 -8.521 362 2HB ALA 46 2HB ALA 46 -9.909 -0.483 -8.742 363 3HB ALA 46 3HB ALA 46 -8.192 -0.080 -8.751 364 H GLY 47 H GLY 47 -8.933 -2.128 -5.311 365 1HA GLY 47 2HA GLY 47 -11.459 -3.343 -6.028 366 2HA GLY 47 1HA GLY 47 -10.409 -3.861 -4.709 367 H LEU 48 H LEU 48 -10.348 -1.334 -3.323 368 HA LEU 48 HA LEU 48 -13.014 -1.492 -2.054 369 1HB LEU 48 2HB LEU 48 -10.739 0.280 -1.166 370 2HB LEU 48 1HB LEU 48 -12.034 -0.415 -0.192 371 HG LEU 48 HG LEU 48 -10.883 -2.672 -1.219 372 1HD1 LEU 48 1HD1 LEU 48 -9.064 -0.695 -1.876 373 2HD1 LEU 48 2HD1 LEU 48 -8.688 -2.411 -1.718 374 3HD1 LEU 48 3HD1 LEU 48 -8.425 -1.321 -0.357 375 1HD2 LEU 48 1HD2 LEU 48 -10.923 -1.215 1.304 376 2HD2 LEU 48 2HD2 LEU 48 -9.448 -2.165 1.132 377 3HD2 LEU 48 3HD2 LEU 48 -11.021 -2.953 1.020 378 H TRP 49 H TRP 49 -12.750 -0.239 -4.702 379 HA TRP 49 HA TRP 49 -12.723 2.611 -4.519 380 1HB TRP 49 2HB TRP 49 -12.549 1.473 -6.676 381 2HB TRP 49 1HB TRP 49 -14.165 0.797 -6.476 382 HD1 TRP 49 HD1 TRP 49 -16.238 2.505 -6.568 383 HE1 TRP 49 HE1 TRP 49 -16.483 4.803 -7.711 384 HE3 TRP 49 HE3 TRP 49 -11.318 3.627 -7.353 385 HZ2 TRP 49 HZ2 TRP 49 -14.810 6.850 -8.812 386 HZ3 TRP 49 HZ3 TRP 49 -10.670 5.755 -8.449 387 HH2 TRP 49 HH2 TRP 49 -12.409 7.365 -9.180 388 H GLY 50 H GLY 50 -15.041 0.299 -3.480 389 1HA GLY 50 2HA GLY 50 -17.027 2.505 -3.093 390 2HA GLY 50 1HA GLY 50 -17.520 0.853 -3.469 391 H THR 51 H THR 51 -14.897 1.733 -1.267 392 HA THR 51 HA THR 51 -16.600 1.029 1.059 393 HB THR 51 HB THR 51 -14.401 -0.368 1.743 394 HG1 THR 51 HG1 THR 51 -14.308 -1.520 -0.584 395 1HG2 THR 51 1HG2 THR 51 -16.767 -1.157 1.699 396 2HG2 THR 51 2HG2 THR 51 -15.637 -2.377 1.115 397 3HG2 THR 51 3HG2 THR 51 -16.607 -1.454 -0.032 398 H ARG 52 H ARG 52 -13.097 1.478 0.435 399 HA ARG 52 HA ARG 52 -13.126 3.567 2.569 400 1HB ARG 52 2HB ARG 52 -10.753 2.056 1.434 401 2HB ARG 52 1HB ARG 52 -10.751 3.117 2.842 402 1HG ARG 52 2HG ARG 52 -12.814 1.121 3.133 403 2HG ARG 52 1HG ARG 52 -11.269 0.338 2.798 404 1HD ARG 52 2HD ARG 52 -11.490 0.640 5.204 405 2HD ARG 52 1HD ARG 52 -10.230 1.718 4.606 406 HE ARG 52 HE ARG 52 -12.381 3.366 4.531 407 1HH1 ARG 52 2HH1 ARG 52 -10.306 3.220 6.817 408 2HH1 ARG 52 1HH1 ARG 52 -11.358 3.168 8.192 409 1HH2 ARG 52 1HH2 ARG 52 -14.179 2.390 6.332 410 2HH2 ARG 52 2HH2 ARG 52 -13.553 2.700 7.916 411 H ARG 53 H ARG 53 -14.089 4.543 0.241 412 HA ARG 53 HA ARG 53 -12.154 5.467 -1.650 413 1HB ARG 53 2HB ARG 53 -14.865 5.553 -1.510 414 2HB ARG 53 1HB ARG 53 -14.479 7.220 -1.087 415 1HG ARG 53 2HG ARG 53 -13.012 7.331 -3.123 416 2HG ARG 53 1HG ARG 53 -13.600 5.730 -3.575 417 1HD ARG 53 2HD ARG 53 -15.939 7.090 -3.043 418 2HD ARG 53 1HD ARG 53 -14.935 8.338 -3.781 419 HE ARG 53 HE ARG 53 -14.581 6.275 -5.519 420 1HH1 ARG 53 2HH1 ARG 53 -16.366 8.520 -6.289 421 2HH1 ARG 53 1HH1 ARG 53 -17.877 7.722 -6.572 422 1HH2 ARG 53 1HH2 ARG 53 -16.967 4.830 -4.890 423 2HH2 ARG 53 2HH2 ARG 53 -18.216 5.633 -5.780 424 H ASP 54 H ASP 54 -13.568 7.041 1.227 425 HA ASP 54 HA ASP 54 -12.157 9.492 1.035 426 1HB ASP 54 2HB ASP 54 -14.039 8.844 2.666 427 2HB ASP 54 1HB ASP 54 -12.773 8.113 3.654 428 H GLU 55 H GLU 55 -11.073 6.317 1.930 429 HA GLU 55 HA GLU 55 -8.683 7.212 3.338 430 1HB GLU 55 2HB GLU 55 -9.859 4.939 3.580 431 2HB GLU 55 1HB GLU 55 -9.084 4.505 2.055 432 1HG GLU 55 2HG GLU 55 -7.557 3.745 3.683 433 2HG GLU 55 1HG GLU 55 -6.890 5.300 3.186 434 H ILE 56 H ILE 56 -9.288 5.785 0.109 435 HA ILE 56 HA ILE 56 -6.592 6.015 -0.809 436 HB ILE 56 HB ILE 56 -9.205 6.024 -2.348 437 1HG1 ILE 56 2HG1 ILE 56 -7.489 3.689 -2.580 438 2HG1 ILE 56 1HG1 ILE 56 -7.897 4.008 -0.894 439 1HG2 ILE 56 1HG2 ILE 56 -8.028 6.338 -4.241 440 2HG2 ILE 56 2HG2 ILE 56 -6.907 5.048 -3.803 441 3HG2 ILE 56 3HG2 ILE 56 -6.614 6.697 -3.252 442 1HD1 ILE 56 1HD1 ILE 56 -10.228 3.885 -1.321 443 2HD1 ILE 56 2HD1 ILE 56 -9.536 2.539 -2.227 444 3HD1 ILE 56 3HD1 ILE 56 -9.997 4.021 -3.063 445 H LEU 57 H LEU 57 -9.189 8.348 -0.565 446 HA LEU 57 HA LEU 57 -8.045 10.288 -2.383 447 1HB LEU 57 2HB LEU 57 -10.435 10.315 -1.737 448 2HB LEU 57 1HB LEU 57 -9.976 10.694 -0.077 449 HG LEU 57 HG LEU 57 -8.684 12.693 -1.161 450 1HD1 LEU 57 1HD1 LEU 57 -10.445 11.686 -3.364 451 2HD1 LEU 57 2HD1 LEU 57 -8.834 12.397 -3.457 452 3HD1 LEU 57 3HD1 LEU 57 -10.239 13.428 -3.186 453 1HD2 LEU 57 1HD2 LEU 57 -11.455 12.317 -0.324 454 2HD2 LEU 57 2HD2 LEU 57 -11.288 13.664 -1.449 455 3HD2 LEU 57 3HD2 LEU 57 -10.348 13.639 0.042 456 H GLY 58 H GLY 58 -7.679 9.608 1.060 457 1HA GLY 58 2HA GLY 58 -6.227 12.068 1.617 458 2HA GLY 58 1HA GLY 58 -6.353 10.677 2.693 459 H ALA 59 H ALA 59 -5.309 8.693 0.951 460 HA ALA 59 HA ALA 59 -2.487 9.110 1.346 461 1HB ALA 59 1HB ALA 59 -2.262 6.904 0.746 462 2HB ALA 59 2HB ALA 59 -3.394 7.048 -0.600 463 3HB ALA 59 3HB ALA 59 -4.000 6.900 1.050 464 H VAL 60 H VAL 60 -4.606 9.336 -1.492 465 HA VAL 60 HA VAL 60 -2.418 9.769 -3.351 466 HB VAL 60 HB VAL 60 -5.346 10.499 -3.656 467 1HG1 VAL 60 1HG1 VAL 60 -3.809 9.642 -5.999 468 2HG1 VAL 60 2HG1 VAL 60 -3.175 11.115 -5.267 469 3HG1 VAL 60 3HG1 VAL 60 -4.855 11.047 -5.797 470 1HG2 VAL 60 1HG2 VAL 60 -5.747 8.319 -4.439 471 2HG2 VAL 60 2HG2 VAL 60 -4.671 8.041 -3.070 472 3HG2 VAL 60 3HG2 VAL 60 -4.034 8.001 -4.714 473 H ASP 61 H ASP 61 -4.533 11.863 -1.440 474 HA ASP 61 HA ASP 61 -3.816 14.328 -2.710 475 1HB ASP 61 2HB ASP 61 -5.066 13.529 -0.125 476 2HB ASP 61 1HB ASP 61 -4.399 15.159 -0.226 477 H LEU 62 H LEU 62 -2.476 12.689 0.176 478 HA LEU 62 HA LEU 62 -0.466 14.718 0.628 479 1HB LEU 62 2HB LEU 62 -0.758 11.856 1.566 480 2HB LEU 62 1HB LEU 62 0.598 12.879 2.046 481 HG LEU 62 HG LEU 62 -2.328 13.555 2.474 482 1HD1 LEU 62 1HD1 LEU 62 -2.117 12.127 4.220 483 2HD1 LEU 62 2HD1 LEU 62 -1.084 13.363 4.937 484 3HD1 LEU 62 3HD1 LEU 62 -0.366 12.029 4.034 485 1HD2 LEU 62 1HD2 LEU 62 -1.455 15.653 2.587 486 2HD2 LEU 62 2HD2 LEU 62 0.201 15.053 2.694 487 3HD2 LEU 62 3HD2 LEU 62 -0.803 15.131 4.141 488 H ALA 63 H ALA 63 -0.448 11.570 -1.035 489 HA ALA 63 HA ALA 63 2.353 11.557 -1.635 490 1HB ALA 63 1HB ALA 63 0.024 9.979 -2.295 491 2HB ALA 63 2HB ALA 63 1.722 9.502 -2.304 492 3HB ALA 63 3HB ALA 63 1.004 10.240 -3.737 493 H ARG 64 H ARG 64 -0.357 13.216 -3.079 494 HA ARG 64 HA ARG 64 0.999 13.806 -5.590 495 1HB ARG 64 2HB ARG 64 -1.609 13.905 -4.777 496 2HB ARG 64 1HB ARG 64 -1.167 15.613 -4.710 497 1HG ARG 64 2HG ARG 64 -0.131 15.199 -7.063 498 2HG ARG 64 1HG ARG 64 -1.142 13.753 -7.078 499 1HD ARG 64 2HD ARG 64 -3.076 14.949 -7.275 500 2HD ARG 64 1HD ARG 64 -2.503 16.237 -6.214 501 HE ARG 64 HE ARG 64 -0.979 16.569 -8.491 502 1HH1 ARG 64 2HH1 ARG 64 -3.561 18.082 -7.411 503 2HH1 ARG 64 1HH1 ARG 64 -4.412 18.258 -8.910 504 1HH2 ARG 64 1HH2 ARG 64 -2.407 16.001 -10.616 505 2HH2 ARG 64 2HH2 ARG 64 -3.758 17.079 -10.724 506 H LYS 65 H LYS 65 1.009 15.154 -2.405 507 HA LYS 65 HA LYS 65 1.875 17.819 -3.236 508 1HB LYS 65 2HB LYS 65 1.103 16.510 -0.774 509 2HB LYS 65 1HB LYS 65 2.610 17.399 -0.547 510 1HG LYS 65 2HG LYS 65 1.455 19.354 -1.740 511 2HG LYS 65 1HG LYS 65 -0.049 18.460 -1.515 512 1HD LYS 65 2HD LYS 65 0.136 19.937 0.362 513 2HD LYS 65 1HD LYS 65 0.539 18.326 0.958 514 1HE LYS 65 2HE LYS 65 2.146 20.042 1.764 515 2HE LYS 65 1HE LYS 65 2.931 18.822 0.762 516 1HZ LYS 65 1HZ LYS 65 3.311 20.287 -0.889 517 2HZ LYS 65 2HZ LYS 65 3.226 21.422 0.372 518 3HZ LYS 65 3HZ LYS 65 1.876 21.151 -0.623 519 H SER 66 H SER 66 3.405 14.806 -3.030 520 HA SER 66 HA SER 66 6.064 16.170 -2.892 521 1HB SER 66 2HB SER 66 6.119 13.342 -2.175 522 2HB SER 66 1HB SER 66 6.790 14.726 -1.317 523 HG SER 66 HG SER 66 4.055 13.949 -1.345 524 H SER 67 H SER 67 3.976 14.713 -4.935 525 HA SER 67 HA SER 67 4.236 13.700 -7.037 526 1HB SER 67 2HB SER 67 7.000 14.815 -6.551 527 2HB SER 67 1HB SER 67 6.614 13.914 -8.015 528 HG SER 67 HG SER 67 4.984 16.040 -7.129 529 H LYS 68 H LYS 68 4.398 12.046 -4.699 530 HA LYS 68 HA LYS 68 6.622 10.204 -4.904 531 1HB LYS 68 2HB LYS 68 3.884 9.953 -3.621 532 2HB LYS 68 1HB LYS 68 5.159 8.746 -3.459 533 1HG LYS 68 2HG LYS 68 6.234 11.361 -2.897 534 2HG LYS 68 1HG LYS 68 4.802 11.084 -1.904 535 1HD LYS 68 2HD LYS 68 6.596 10.182 -0.636 536 2HD LYS 68 1HD LYS 68 5.821 8.781 -1.377 537 1HE LYS 68 2HE LYS 68 7.499 8.705 -3.128 538 2HE LYS 68 1HE LYS 68 8.219 10.209 -2.556 539 1HZ LYS 68 1HZ LYS 68 8.902 9.173 -0.558 540 2HZ LYS 68 2HZ LYS 68 9.370 8.138 -1.823 541 3HZ LYS 68 3HZ LYS 68 8.002 7.772 -0.884 542 HA PRO 69 HA PRO 69 5.189 7.610 -8.146 543 1HB PRO 69 2HB PRO 69 6.151 5.175 -7.297 544 2HB PRO 69 1HB PRO 69 7.176 6.454 -7.970 545 1HG PRO 69 2HG PRO 69 6.879 5.585 -5.132 546 2HG PRO 69 1HG PRO 69 8.263 6.346 -5.933 547 1HD PRO 69 2HD PRO 69 6.412 7.652 -4.247 548 2HD PRO 69 1HD PRO 69 7.575 8.450 -5.327 549 H ILE 70 H ILE 70 2.964 7.340 -8.190 550 HA ILE 70 HA ILE 70 1.746 5.526 -6.154 551 HB ILE 70 HB ILE 70 0.316 7.465 -7.989 552 1HG1 ILE 70 2HG1 ILE 70 1.342 7.834 -5.157 553 2HG1 ILE 70 1HG1 ILE 70 1.826 8.752 -6.583 554 1HG2 ILE 70 1HG2 ILE 70 -0.463 5.944 -5.485 555 2HG2 ILE 70 2HG2 ILE 70 -1.131 5.741 -7.106 556 3HG2 ILE 70 3HG2 ILE 70 -1.446 7.221 -6.200 557 1HD1 ILE 70 1HD1 ILE 70 0.232 10.116 -5.435 558 2HD1 ILE 70 2HD1 ILE 70 -0.868 8.756 -5.205 559 3HD1 ILE 70 3HD1 ILE 70 -0.622 9.430 -6.817 560 H ILE 71 H ILE 71 1.661 3.482 -6.985 561 HA ILE 71 HA ILE 71 1.097 3.140 -9.883 562 HB ILE 71 HB ILE 71 1.963 1.156 -7.758 563 1HG1 ILE 71 2HG1 ILE 71 3.741 1.471 -10.002 564 2HG1 ILE 71 1HG1 ILE 71 3.398 3.057 -9.309 565 1HG2 ILE 71 1HG2 ILE 71 0.485 0.298 -9.682 566 2HG2 ILE 71 2HG2 ILE 71 2.043 -0.497 -9.462 567 3HG2 ILE 71 3HG2 ILE 71 1.837 0.699 -10.742 568 1HD1 ILE 71 1HD1 ILE 71 3.761 1.537 -7.054 569 2HD1 ILE 71 2HD1 ILE 71 5.015 2.522 -7.808 570 3HD1 ILE 71 3HD1 ILE 71 4.910 0.799 -8.171 571 H THR 72 H THR 72 -1.011 2.902 -10.426 572 HA THR 72 HA THR 72 -3.011 2.204 -8.409 573 HB THR 72 HB THR 72 -3.502 2.402 -11.380 574 HG1 THR 72 HG1 THR 72 -2.917 4.398 -9.496 575 1HG2 THR 72 1HG2 THR 72 -5.583 2.022 -10.583 576 2HG2 THR 72 2HG2 THR 72 -5.513 3.675 -9.971 577 3HG2 THR 72 3HG2 THR 72 -5.087 2.326 -8.917 578 H VAL 73 H VAL 73 -4.283 0.305 -8.393 579 HA VAL 73 HA VAL 73 -3.240 -1.929 -10.091 580 HB VAL 73 HB VAL 73 -4.256 -2.063 -7.234 581 1HG1 VAL 73 1HG1 VAL 73 -4.836 -4.137 -8.119 582 2HG1 VAL 73 2HG1 VAL 73 -3.183 -4.450 -7.589 583 3HG1 VAL 73 3HG1 VAL 73 -3.518 -4.121 -9.290 584 1HG2 VAL 73 1HG2 VAL 73 -1.589 -3.060 -7.655 585 2HG2 VAL 73 2HG2 VAL 73 -2.116 -1.741 -6.610 586 3HG2 VAL 73 3HG2 VAL 73 -1.698 -1.419 -8.293 587 H ARG 74 H ARG 74 -4.808 -2.417 -11.553 588 HA ARG 74 HA ARG 74 -7.512 -1.651 -11.446 589 1HB ARG 74 2HB ARG 74 -5.908 -3.569 -12.995 590 2HB ARG 74 1HB ARG 74 -7.605 -4.024 -12.847 591 1HG ARG 74 2HG ARG 74 -8.266 -2.371 -14.237 592 2HG ARG 74 1HG ARG 74 -7.277 -1.176 -13.397 593 1HD ARG 74 2HD ARG 74 -6.363 -1.297 -15.590 594 2HD ARG 74 1HD ARG 74 -5.265 -2.241 -14.582 595 HE ARG 74 HE ARG 74 -5.806 -4.060 -15.961 596 1HH1 ARG 74 1HH2 ARG 74 -8.008 -1.579 -16.612 597 2HH1 ARG 74 2HH2 ARG 74 -9.242 -2.616 -17.247 598 1HH2 ARG 74 2HH1 ARG 74 -7.586 -5.544 -16.403 599 2HH2 ARG 74 1HH1 ARG 74 -9.002 -4.861 -17.128 600 HA PRO 75 HA PRO 75 -9.385 -4.394 -8.578 601 1HB PRO 75 2HB PRO 75 -11.898 -4.572 -9.675 602 2HB PRO 75 1HB PRO 75 -11.304 -3.137 -8.822 603 1HG PRO 75 2HG PRO 75 -11.679 -3.560 -11.751 604 2HG PRO 75 1HG PRO 75 -11.720 -2.052 -10.822 605 1HD PRO 75 2HD PRO 75 -9.557 -2.964 -12.400 606 2HD PRO 75 1HD PRO 75 -9.494 -1.653 -11.203 607 H TYR 76 H TYR 76 -10.519 -6.572 -8.448 608 HA TYR 76 HA TYR 76 -9.297 -8.431 -10.316 609 1HB TYR 76 2HB TYR 76 -9.639 -9.004 -7.930 610 2HB TYR 76 1HB TYR 76 -11.386 -8.937 -8.174 611 HD1 TYR 76 HD1 TYR 76 -8.345 -10.525 -9.704 612 HD2 TYR 76 HD2 TYR 76 -12.500 -10.921 -8.683 613 HE1 TYR 76 HE1 TYR 76 -8.324 -12.866 -10.529 614 HE2 TYR 76 HE2 TYR 76 -12.479 -13.262 -9.506 615 HH TYR 76 HH TYR 76 -10.457 -15.100 -9.770 616 H GLY 77 H GLY 77 -12.747 -7.825 -9.500 617 1HA GLY 77 2HA GLY 77 -13.405 -8.117 -12.368 618 2HA GLY 77 1HA GLY 77 -14.123 -9.300 -11.276 619 H LEU 78 H LEU 78 -13.636 -6.199 -9.888 620 HA LEU 78 HA LEU 78 -16.488 -5.819 -9.540 621 1HB LEU 78 2HB LEU 78 -15.054 -4.983 -7.809 622 2HB LEU 78 1HB LEU 78 -14.088 -4.065 -8.966 623 HG LEU 78 HG LEU 78 -16.074 -2.668 -9.486 624 1HD1 LEU 78 1HD1 LEU 78 -17.576 -3.490 -7.111 625 2HD1 LEU 78 2HD1 LEU 78 -17.482 -4.762 -8.329 626 3HD1 LEU 78 3HD1 LEU 78 -18.151 -3.186 -8.749 627 1HD2 LEU 78 1HD2 LEU 78 -16.268 -1.700 -7.052 628 2HD2 LEU 78 2HD2 LEU 78 -14.710 -1.644 -7.880 629 3HD2 LEU 78 3HD2 LEU 78 -15.026 -2.894 -6.676 630 H GLU 79 H GLU 79 -14.298 -3.324 -10.821 631 HA GLU 79 HA GLU 79 -15.917 -3.137 -13.286 632 1HB GLU 79 2HB GLU 79 -16.745 -1.626 -11.234 633 2HB GLU 79 1HB GLU 79 -15.458 -0.576 -11.828 634 1HG GLU 79 2HG GLU 79 -16.572 -1.103 -14.177 635 2HG GLU 79 1HG GLU 79 -17.991 -1.420 -13.179 636 H ASN 80 H ASN 80 -14.700 -0.355 -13.574 637 HA ASN 80 HA ASN 80 -11.888 -1.229 -14.095 638 1HB ASN 80 2HB ASN 80 -12.110 0.533 -16.034 639 2HB ASN 80 1HB ASN 80 -12.753 -1.095 -16.263 640 1HD2 ASN 80 1HD2 ASN 80 -14.601 -0.684 -17.546 641 2HD2 ASN 80 2HD2 ASN 80 -15.860 0.358 -17.084 642 H VAL 81 H VAL 81 -10.524 0.911 -14.551 643 HA VAL 81 HA VAL 81 -11.086 2.693 -12.239 644 HB VAL 81 HB VAL 81 -8.560 2.466 -13.903 645 1HG1 VAL 81 1HG1 VAL 81 -8.993 4.580 -12.553 646 2HG1 VAL 81 2HG1 VAL 81 -7.518 3.708 -12.137 647 3HG1 VAL 81 3HG1 VAL 81 -8.945 3.568 -11.110 648 1HG2 VAL 81 1HG2 VAL 81 -8.419 1.418 -11.199 649 2HG2 VAL 81 2HG2 VAL 81 -7.998 0.629 -12.719 650 3HG2 VAL 81 3HG2 VAL 81 -9.660 0.578 -12.130 651 HA PRO 82 HA PRO 82 -12.245 5.847 -15.135 652 1HB PRO 82 2HB PRO 82 -12.456 7.876 -13.294 653 2HB PRO 82 1HB PRO 82 -13.685 6.617 -13.510 654 1HG PRO 82 2HG PRO 82 -11.687 6.934 -11.319 655 2HG PRO 82 1HG PRO 82 -13.270 6.136 -11.289 656 1HD PRO 82 2HD PRO 82 -10.760 4.836 -11.470 657 2HD PRO 82 1HD PRO 82 -12.346 4.093 -11.766 658 HA PRO 83 HA PRO 83 -8.651 8.277 -15.931 659 1HB PRO 83 2HB PRO 83 -9.743 10.658 -16.769 660 2HB PRO 83 1HB PRO 83 -9.743 9.181 -17.746 661 1HG PRO 83 2HG PRO 83 -11.998 10.452 -16.264 662 2HG PRO 83 1HG PRO 83 -12.042 9.413 -17.699 663 1HD PRO 83 2HD PRO 83 -12.626 8.602 -15.053 664 2HD PRO 83 1HD PRO 83 -12.329 7.524 -16.433 665 H GLU 84 H GLU 84 -10.624 9.025 -13.333 666 HA GLU 84 HA GLU 84 -9.478 11.579 -12.557 667 1HB GLU 84 2HB GLU 84 -11.711 10.555 -11.770 668 2HB GLU 84 1HB GLU 84 -10.733 9.576 -10.675 669 1HG GLU 84 2HG GLU 84 -10.116 11.382 -9.384 670 2HG GLU 84 1HG GLU 84 -10.192 12.509 -10.739 671 H LEU 85 H LEU 85 -9.220 8.447 -10.844 672 HA LEU 85 HA LEU 85 -6.819 9.169 -9.473 673 1HB LEU 85 2HB LEU 85 -8.587 7.071 -9.330 674 2HB LEU 85 1HB LEU 85 -7.170 6.295 -10.037 675 HG LEU 85 HG LEU 85 -6.347 8.068 -7.916 676 1HD1 LEU 85 1HD1 LEU 85 -8.876 7.013 -7.420 677 2HD1 LEU 85 2HD1 LEU 85 -7.746 7.606 -6.203 678 3HD1 LEU 85 3HD1 LEU 85 -7.787 5.890 -6.606 679 1HD2 LEU 85 1HD2 LEU 85 -4.811 6.412 -8.094 680 2HD2 LEU 85 2HD2 LEU 85 -5.961 5.330 -8.881 681 3HD2 LEU 85 3HD2 LEU 85 -5.915 5.440 -7.121 682 H GLU 86 H GLU 86 -7.381 8.221 -12.718 683 HA GLU 86 HA GLU 86 -4.788 7.020 -13.227 684 1HB GLU 86 2HB GLU 86 -6.760 6.616 -14.682 685 2HB GLU 86 1HB GLU 86 -6.731 8.312 -15.167 686 1HG GLU 86 2HG GLU 86 -5.446 7.487 -16.876 687 2HG GLU 86 1HG GLU 86 -4.161 7.666 -15.680 688 H ALA 87 H ALA 87 -6.165 10.278 -13.666 689 HA ALA 87 HA ALA 87 -3.925 11.474 -14.931 690 1HB ALA 87 1HB ALA 87 -6.348 12.395 -14.241 691 2HB ALA 87 2HB ALA 87 -4.995 13.483 -14.555 692 3HB ALA 87 3HB ALA 87 -5.423 13.063 -12.897 693 H VAL 88 H VAL 88 -4.546 10.729 -11.541 694 HA VAL 88 HA VAL 88 -1.938 11.972 -10.809 695 HB VAL 88 HB VAL 88 -2.696 11.819 -8.501 696 1HG1 VAL 88 1HG1 VAL 88 -3.844 13.413 -10.446 697 2HG1 VAL 88 2HG1 VAL 88 -4.052 13.623 -8.707 698 3HG1 VAL 88 3HG1 VAL 88 -5.250 12.722 -9.636 699 1HG2 VAL 88 1HG2 VAL 88 -3.887 9.860 -8.209 700 2HG2 VAL 88 2HG2 VAL 88 -4.731 10.020 -9.749 701 3HG2 VAL 88 3HG2 VAL 88 -5.236 10.986 -8.362 702 H SER 89 H SER 89 -1.954 9.526 -12.310 703 HA SER 89 HA SER 89 -0.817 7.686 -10.246 704 1HB SER 89 2HB SER 89 -2.961 6.785 -11.053 705 2HB SER 89 1HB SER 89 -2.402 6.919 -12.717 706 HG SER 89 HG SER 89 -1.385 5.279 -10.637 707 H SER 90 H SER 90 1.354 7.928 -10.609 708 HA SER 90 HA SER 90 2.590 8.626 -13.055 709 1HB SER 90 2HB SER 90 3.495 7.349 -10.517 710 2HB SER 90 1HB SER 90 4.562 7.211 -11.912 711 HG SER 90 HG SER 90 3.475 9.595 -10.808 712 H GLU 91 H GLU 91 1.789 5.428 -11.728 713 HA GLU 91 HA GLU 91 2.176 4.320 -14.466 714 1HB GLU 91 2HB GLU 91 3.497 3.451 -11.925 715 2HB GLU 91 1HB GLU 91 3.030 2.210 -13.089 716 1HG GLU 91 2HG GLU 91 5.202 2.762 -13.783 717 2HG GLU 91 1HG GLU 91 4.199 3.760 -14.837 718 H VAL 92 H VAL 92 0.955 2.319 -14.804 719 HA VAL 92 HA VAL 92 -1.113 1.725 -12.751 720 HB VAL 92 HB VAL 92 -2.820 1.678 -14.654 721 1HG1 VAL 92 1HG1 VAL 92 -1.538 4.265 -13.745 722 2HG1 VAL 92 2HG1 VAL 92 -2.931 3.449 -13.035 723 3HG1 VAL 92 3HG1 VAL 92 -3.066 4.204 -14.623 724 1HG2 VAL 92 1HG2 VAL 92 -0.404 2.680 -16.038 725 2HG2 VAL 92 2HG2 VAL 92 -1.882 3.581 -16.375 726 3HG2 VAL 92 3HG2 VAL 92 -1.813 1.848 -16.695 727 H VAL 93 H VAL 93 -1.485 -0.469 -12.621 728 HA VAL 93 HA VAL 93 -0.722 -2.154 -14.953 729 HB VAL 93 HB VAL 93 0.551 -3.678 -13.551 730 1HG1 VAL 93 1HG1 VAL 93 2.425 -2.405 -13.663 731 2HG1 VAL 93 2HG1 VAL 93 1.769 -1.193 -12.561 732 3HG1 VAL 93 3HG1 VAL 93 1.359 -1.141 -14.276 733 1HG2 VAL 93 1HG2 VAL 93 0.299 -1.790 -11.223 734 2HG2 VAL 93 2HG2 VAL 93 0.730 -3.500 -11.223 735 3HG2 VAL 93 3HG2 VAL 93 -0.943 -3.013 -11.493 736 H GLY 94 H GLY 94 -1.482 -4.482 -14.560 737 1HA GLY 94 2HA GLY 94 -4.155 -4.374 -13.235 738 2HA GLY 94 1HA GLY 94 -3.737 -5.455 -14.564 739 H TRP 95 H TRP 95 -4.173 -7.396 -13.489 740 HA TRP 95 HA TRP 95 -2.830 -7.899 -10.897 741 1HB TRP 95 2HB TRP 95 -4.867 -9.414 -12.533 742 2HB TRP 95 1HB TRP 95 -4.058 -10.149 -11.149 743 HD1 TRP 95 HD1 TRP 95 -6.153 -7.010 -11.983 744 HE1 TRP 95 HE1 TRP 95 -7.493 -6.357 -9.880 745 HE3 TRP 95 HE3 TRP 95 -4.353 -10.469 -8.683 746 HZ2 TRP 95 HZ2 TRP 95 -7.766 -7.193 -7.156 747 HZ3 TRP 95 HZ3 TRP 95 -5.170 -10.518 -6.342 748 HH2 TRP 95 HH2 TRP 95 -6.873 -8.885 -5.576 749 H ASN 96 H ASN 96 -0.973 -7.548 -12.906 750 HA ASN 96 HA ASN 96 -0.185 -10.288 -13.761 751 1HB ASN 96 2HB ASN 96 0.303 -7.548 -14.766 752 2HB ASN 96 1HB ASN 96 1.696 -8.628 -14.842 753 1HD2 ASN 96 1HD2 ASN 96 -1.396 -7.904 -16.269 754 2HD2 ASN 96 2HD2 ASN 96 -1.404 -9.175 -17.394 755 HA PRO 97 HA PRO 97 2.897 -10.386 -10.619 756 1HB PRO 97 2HB PRO 97 4.440 -12.393 -11.691 757 2HB PRO 97 1HB PRO 97 2.887 -12.676 -10.885 758 1HG PRO 97 2HG PRO 97 3.531 -12.748 -13.795 759 2HG PRO 97 1HG PRO 97 2.250 -13.590 -12.908 760 1HD PRO 97 2HD PRO 97 1.922 -11.260 -14.485 761 2HD PRO 97 1HD PRO 97 0.735 -11.925 -13.341 762 H HIS 98 H HIS 98 3.962 -10.309 -14.022 763 HA HIS 98 HA HIS 98 6.636 -9.370 -13.364 764 1HB HIS 98 2HB HIS 98 5.063 -9.855 -15.847 765 2HB HIS 98 1HB HIS 98 6.397 -8.707 -15.960 766 HD1 HIS 98 HD1 HIS 98 7.041 -11.210 -13.399 767 HD2 HIS 98 HD2 HIS 98 7.601 -10.962 -17.523 768 HE1 HIS 98 HE1 HIS 98 8.694 -13.029 -14.008 769 H CYS 99 H CYS 99 3.539 -7.877 -13.873 770 HA CYS 99 HA CYS 99 4.552 -5.237 -14.524 771 1HB CYS 99 2HB CYS 99 1.946 -6.492 -14.028 772 2HB CYS 99 1HB CYS 99 2.053 -4.846 -13.404 773 HG CYS 99 HG CYS 99 1.365 -4.948 -16.028 774 H ILE 100 H ILE 100 4.351 -7.061 -11.632 775 HA ILE 100 HA ILE 100 4.061 -4.837 -9.788 776 HB ILE 100 HB ILE 100 5.278 -7.572 -9.295 777 1HG1 ILE 100 2HG1 ILE 100 3.068 -7.914 -10.170 778 2HG1 ILE 100 1HG1 ILE 100 2.938 -8.062 -8.418 779 1HG2 ILE 100 1HG2 ILE 100 4.803 -5.227 -7.647 780 2HG2 ILE 100 2HG2 ILE 100 5.655 -6.717 -7.242 781 3HG2 ILE 100 3HG2 ILE 100 3.905 -6.619 -7.040 782 1HD1 ILE 100 1HD1 ILE 100 1.808 -6.019 -10.220 783 2HD1 ILE 100 2HD1 ILE 100 2.561 -5.369 -8.763 784 3HD1 ILE 100 3HD1 ILE 100 1.255 -6.547 -8.631 785 H ARG 101 H ARG 101 6.816 -6.624 -11.147 786 HA ARG 101 HA ARG 101 8.776 -5.119 -9.605 787 1HB ARG 101 2HB ARG 101 9.386 -6.595 -12.159 788 2HB ARG 101 1HB ARG 101 10.402 -6.393 -10.731 789 1HG ARG 101 2HG ARG 101 8.597 -7.733 -9.473 790 2HG ARG 101 1HG ARG 101 7.989 -8.176 -11.069 791 1HD ARG 101 2HD ARG 101 10.602 -8.709 -11.448 792 2HD ARG 101 1HD ARG 101 10.509 -8.988 -9.709 793 HE ARG 101 HE ARG 101 8.375 -10.426 -10.591 794 1HH1 ARG 101 2HH1 ARG 101 11.719 -10.246 -11.406 795 2HH1 ARG 101 1HH1 ARG 101 11.760 -11.810 -12.148 796 1HH2 ARG 101 1HH2 ARG 101 8.380 -12.420 -11.675 797 2HH2 ARG 101 2HH2 ARG 101 9.871 -13.040 -12.301 798 H ASP 102 H ASP 102 7.354 -4.877 -12.834 799 HA ASP 102 HA ASP 102 9.188 -2.867 -13.799 800 1HB ASP 102 2HB ASP 102 6.650 -4.090 -14.691 801 2HB ASP 102 1HB ASP 102 6.905 -2.434 -15.238 802 H ALA 103 H ALA 103 6.192 -2.764 -11.949 803 HA ALA 103 HA ALA 103 5.864 0.119 -12.226 804 1HB ALA 103 1HB ALA 103 4.537 -0.848 -9.892 805 2HB ALA 103 2HB ALA 103 4.357 -2.065 -11.156 806 3HB ALA 103 3HB ALA 103 3.823 -0.408 -11.444 807 H LEU 104 H LEU 104 7.078 -2.048 -9.660 808 HA LEU 104 HA LEU 104 7.664 0.050 -7.790 809 1HB LEU 104 2HB LEU 104 8.325 -2.828 -8.083 810 2HB LEU 104 1HB LEU 104 9.453 -1.877 -7.115 811 HG LEU 104 HG LEU 104 6.937 -1.007 -6.275 812 1HD1 LEU 104 1HD1 LEU 104 6.071 -3.051 -7.534 813 2HD1 LEU 104 2HD1 LEU 104 5.636 -2.967 -5.827 814 3HD1 LEU 104 3HD1 LEU 104 6.939 -4.032 -6.353 815 1HD2 LEU 104 1HD2 LEU 104 8.669 -1.250 -4.693 816 2HD2 LEU 104 2HD2 LEU 104 9.009 -2.909 -5.184 817 3HD2 LEU 104 3HD2 LEU 104 7.551 -2.544 -4.262 818 H GLU 105 H GLU 105 9.412 -1.257 -10.536 819 HA GLU 105 HA GLU 105 12.003 -0.223 -9.860 820 1HB GLU 105 2HB GLU 105 11.193 -1.883 -11.771 821 2HB GLU 105 1HB GLU 105 11.125 -0.396 -12.715 822 1HG GLU 105 2HG GLU 105 13.330 -1.271 -13.023 823 2HG GLU 105 1HG GLU 105 13.493 0.080 -11.901 824 H ASP 106 H ASP 106 9.117 1.298 -11.042 825 HA ASP 106 HA ASP 106 10.287 3.555 -12.352 826 1HB ASP 106 2HB ASP 106 7.738 2.704 -11.996 827 2HB ASP 106 1HB ASP 106 7.795 3.999 -10.800 828 H ALA 107 H ALA 107 9.756 2.801 -8.961 829 HA ALA 107 HA ALA 107 10.198 5.486 -7.984 830 1HB ALA 107 1HB ALA 107 10.020 2.757 -6.801 831 2HB ALA 107 2HB ALA 107 9.189 4.242 -6.335 832 3HB ALA 107 3HB ALA 107 10.868 3.984 -5.858 833 H LEU 108 H LEU 108 12.307 2.598 -8.184 834 HA LEU 108 HA LEU 108 14.651 3.825 -7.157 835 1HB LEU 108 2HB LEU 108 13.985 1.333 -8.244 836 2HB LEU 108 1HB LEU 108 15.235 1.962 -9.319 837 HG LEU 108 HG LEU 108 16.654 2.448 -7.325 838 1HD1 LEU 108 1HD1 LEU 108 16.017 1.768 -5.145 839 2HD1 LEU 108 2HD1 LEU 108 14.683 0.786 -5.753 840 3HD1 LEU 108 3HD1 LEU 108 14.574 2.545 -5.798 841 1HD2 LEU 108 1HD2 LEU 108 17.153 0.394 -8.408 842 2HD2 LEU 108 2HD2 LEU 108 15.667 -0.363 -7.832 843 3HD2 LEU 108 3HD2 LEU 108 16.984 -0.037 -6.706 844 H ASP 109 H ASP 109 13.646 3.433 -10.572 845 HA ASP 109 HA ASP 109 14.214 4.692 -12.464 846 1HB ASP 109 2HB ASP 109 14.418 6.639 -10.205 847 2HB ASP 109 1HB ASP 109 15.085 7.115 -11.768 848 H VAL 110 H VAL 110 16.622 6.493 -10.691 849 HA VAL 110 HA VAL 110 18.720 5.408 -12.404 850 HB VAL 110 HB VAL 110 20.188 6.871 -10.848 851 1HG1 VAL 110 1HG1 VAL 110 19.711 7.752 -12.975 852 2HG1 VAL 110 2HG1 VAL 110 19.089 8.991 -11.884 853 3HG1 VAL 110 3HG1 VAL 110 17.981 7.852 -12.648 854 1HG2 VAL 110 1HG2 VAL 110 18.285 6.833 -9.080 855 2HG2 VAL 110 2HG2 VAL 110 17.522 8.062 -10.089 856 3HG2 VAL 110 3HG2 VAL 110 19.105 8.366 -9.374 857 H ILE 111 HN ILE 111 20.742 4.472 -11.465 858 HA ILE 111 HA ILE 111 20.042 2.602 -9.251 859 HB ILE 111 HB ILE 111 22.167 1.419 -10.087 860 1HG1 ILE 111 2HG1 ILE 111 21.671 3.204 -12.487 861 2HG1 ILE 111 1HG1 ILE 111 22.973 3.471 -11.326 862 1HG2 ILE 111 1HG2 ILE 111 20.948 0.440 -12.033 863 2HG2 ILE 111 2HG2 ILE 111 19.768 1.746 -11.914 864 3HG2 ILE 111 3HG2 ILE 111 19.930 0.580 -10.600 865 1HD1 ILE 111 1HD1 ILE 111 23.892 1.246 -11.814 866 2HD1 ILE 111 2HD1 ILE 111 23.757 2.189 -13.299 867 3HD1 ILE 111 3HD1 ILE 111 22.571 0.934 -12.940 Start of MODEL 15 1 1H VAL 1 1H VAL 1 22.628 -7.739 1.095 2 2H VAL 1 2H VAL 1 23.433 -7.214 2.497 3 3H VAL 1 3H VAL 1 24.323 -7.698 1.133 4 HA VAL 1 HA VAL 1 24.423 -5.396 1.028 5 HB VAL 1 HB VAL 1 21.917 -5.854 -0.570 6 1HG1 VAL 1 1HG1 VAL 1 23.441 -3.722 -0.511 7 2HG1 VAL 1 2HG1 VAL 1 22.892 -4.342 -2.068 8 3HG1 VAL 1 3HG1 VAL 1 24.527 -4.690 -1.508 9 1HG2 VAL 1 1HG2 VAL 1 23.116 -7.161 -2.193 10 2HG2 VAL 1 2HG2 VAL 1 23.392 -7.930 -0.630 11 3HG2 VAL 1 3HG2 VAL 1 24.645 -6.918 -1.348 12 H THR 2 H THR 2 21.544 -6.620 2.469 13 HA THR 2 HA THR 2 19.797 -5.558 3.637 14 HB THR 2 HB THR 2 21.104 -3.237 4.580 15 HG1 THR 2 HG1 THR 2 23.141 -3.782 4.804 16 1HG2 THR 2 1HG2 THR 2 19.872 -4.420 6.146 17 2HG2 THR 2 2HG2 THR 2 21.503 -4.936 6.573 18 3HG2 THR 2 3HG2 THR 2 20.476 -5.983 5.593 19 H ALA 3 H ALA 3 18.447 -4.895 1.906 20 HA ALA 3 HA ALA 3 18.722 -2.005 1.189 21 1HB ALA 3 1HB ALA 3 19.323 -3.139 -0.811 22 2HB ALA 3 2HB ALA 3 17.626 -2.712 -1.031 23 3HB ALA 3 3HB ALA 3 18.069 -4.360 -0.588 24 H GLU 4 H GLU 4 16.388 -4.728 1.034 25 HA GLU 4 HA GLU 4 14.090 -4.765 1.516 26 1HB GLU 4 2HB GLU 4 14.904 -2.514 3.382 27 2HB GLU 4 1HB GLU 4 13.384 -3.404 3.457 28 1HG GLU 4 2HG GLU 4 14.532 -4.718 4.930 29 2HG GLU 4 1HG GLU 4 15.152 -5.467 3.458 30 H ILE 5 H ILE 5 12.085 -3.186 1.612 31 HA ILE 5 HA ILE 5 12.521 -0.754 -0.023 32 HB ILE 5 HB ILE 5 12.140 -2.693 -1.595 33 1HG1 ILE 5 2HG1 ILE 5 9.726 -0.928 -1.768 34 2HG1 ILE 5 1HG1 ILE 5 11.317 -0.166 -1.819 35 1HG2 ILE 5 1HG2 ILE 5 9.338 -2.661 -0.445 36 2HG2 ILE 5 2HG2 ILE 5 10.553 -3.854 0.015 37 3HG2 ILE 5 3HG2 ILE 5 9.992 -3.766 -1.655 38 1HD1 ILE 5 1HD1 ILE 5 11.597 -2.338 -3.525 39 2HD1 ILE 5 2HD1 ILE 5 11.328 -0.668 -4.024 40 3HD1 ILE 5 3HD1 ILE 5 9.961 -1.769 -3.857 41 H ARG 6 H ARG 6 10.955 0.816 0.377 42 HA ARG 6 HA ARG 6 9.044 0.173 2.559 43 1HB ARG 6 2HB ARG 6 9.630 2.913 1.426 44 2HB ARG 6 1HB ARG 6 8.969 2.508 3.010 45 1HG ARG 6 2HG ARG 6 11.035 1.805 3.843 46 2HG ARG 6 1HG ARG 6 11.686 1.485 2.234 47 1HD ARG 6 2HD ARG 6 11.874 3.846 1.763 48 2HD ARG 6 1HD ARG 6 11.009 4.260 3.243 49 HE ARG 6 HE ARG 6 13.807 3.292 3.091 50 1HH1 ARG 6 1HH2 ARG 6 12.065 2.252 5.434 51 2HH1 ARG 6 2HH2 ARG 6 12.497 3.390 6.666 52 1HH2 ARG 6 2HH1 ARG 6 13.939 5.639 4.459 53 2HH2 ARG 6 1HH1 ARG 6 13.557 5.306 6.114 54 H LEU 7 H LEU 7 7.178 -0.638 1.664 55 HA LEU 7 HA LEU 7 6.000 0.877 -0.629 56 1HB LEU 7 2HB LEU 7 5.432 -1.975 0.237 57 2HB LEU 7 1HB LEU 7 4.796 -1.172 -1.199 58 HG LEU 7 HG LEU 7 7.760 -1.503 -0.689 59 1HD1 LEU 7 1HD1 LEU 7 5.762 -3.336 -2.002 60 2HD1 LEU 7 2HD1 LEU 7 7.055 -3.740 -0.873 61 3HD1 LEU 7 3HD1 LEU 7 7.441 -3.311 -2.540 62 1HD2 LEU 7 1HD2 LEU 7 7.898 -1.049 -3.106 63 2HD2 LEU 7 2HD2 LEU 7 7.051 0.262 -2.285 64 3HD2 LEU 7 3HD2 LEU 7 6.140 -0.942 -3.196 65 H TYR 8 H TYR 8 3.639 1.162 -0.555 66 HA TYR 8 HA TYR 8 2.480 0.913 2.182 67 1HB TYR 8 2HB TYR 8 3.343 3.262 1.687 68 2HB TYR 8 1HB TYR 8 2.094 3.359 0.443 69 HD1 TYR 8 HD1 TYR 8 2.365 2.190 4.009 70 HD2 TYR 8 HD2 TYR 8 0.115 4.392 1.083 71 HE1 TYR 8 HE1 TYR 8 0.681 2.765 5.737 72 HE2 TYR 8 HE2 TYR 8 -1.569 4.968 2.812 73 HH TYR 8 HH TYR 8 -1.760 3.410 5.782 74 H ILE 9 H ILE 9 1.163 -0.822 1.468 75 HA ILE 9 HA ILE 9 -0.590 -0.397 -0.870 76 HB ILE 9 HB ILE 9 -0.455 -2.727 1.070 77 1HG1 ILE 9 2HG1 ILE 9 0.554 -3.341 -1.530 78 2HG1 ILE 9 1HG1 ILE 9 1.360 -1.872 -0.977 79 1HG2 ILE 9 1HG2 ILE 9 -1.930 -2.183 -1.493 80 2HG2 ILE 9 2HG2 ILE 9 -2.518 -2.935 -0.011 81 3HG2 ILE 9 3HG2 ILE 9 -1.454 -3.834 -1.095 82 1HD1 ILE 9 1HD1 ILE 9 1.708 -3.119 1.253 83 2HD1 ILE 9 2HD1 ILE 9 2.694 -3.633 -0.117 84 3HD1 ILE 9 3HD1 ILE 9 1.283 -4.579 0.359 85 H THR 10 H THR 10 -2.972 -0.723 -0.600 86 HA THR 10 HA THR 10 -3.911 0.749 1.778 87 HB THR 10 HB THR 10 -5.931 -0.252 -0.117 88 HG1 THR 10 HG1 THR 10 -4.960 0.347 -1.860 89 1HG2 THR 10 1HG2 THR 10 -6.236 2.366 -0.159 90 2HG2 THR 10 2HG2 THR 10 -5.146 2.311 1.227 91 3HG2 THR 10 3HG2 THR 10 -6.684 1.450 1.281 92 H GLU 11 H GLU 11 -5.747 -0.096 3.057 93 HA GLU 11 HA GLU 11 -5.667 -3.082 3.208 94 1HB GLU 11 2HB GLU 11 -5.081 -1.220 5.183 95 2HB GLU 11 1HB GLU 11 -6.738 -1.700 5.554 96 1HG GLU 11 2HG GLU 11 -4.837 -3.880 4.848 97 2HG GLU 11 1HG GLU 11 -4.613 -3.105 6.417 98 H GLY 12 H GLY 12 -7.558 -4.130 2.821 99 1HA GLY 12 2HA GLY 12 -10.082 -2.525 2.944 100 2HA GLY 12 1HA GLY 12 -9.781 -3.706 1.667 101 H GLU 13 H GLU 13 -11.835 -4.688 2.501 102 HA GLU 13 HA GLU 13 -11.251 -6.454 4.844 103 1HB GLU 13 2HB GLU 13 -13.092 -4.541 5.006 104 2HB GLU 13 1HB GLU 13 -14.073 -5.737 4.156 105 1HG GLU 13 2HG GLU 13 -13.542 -7.406 5.901 106 2HG GLU 13 1HG GLU 13 -12.584 -6.198 6.759 107 H VAL 14 H VAL 14 -11.820 -6.326 1.556 108 HA VAL 14 HA VAL 14 -13.394 -8.797 1.364 109 HB VAL 14 HB VAL 14 -13.143 -8.522 -1.047 110 1HG1 VAL 14 1HG1 VAL 14 -13.857 -6.173 0.656 111 2HG1 VAL 14 2HG1 VAL 14 -14.874 -7.125 -0.425 112 3HG1 VAL 14 3HG1 VAL 14 -13.765 -5.925 -1.087 113 1HG2 VAL 14 1HG2 VAL 14 -11.423 -6.095 -0.581 114 2HG2 VAL 14 2HG2 VAL 14 -11.611 -7.052 -2.051 115 3HG2 VAL 14 3HG2 VAL 14 -10.686 -7.692 -0.693 116 H GLU 15 H GLU 15 -12.296 -10.421 -0.389 117 HA GLU 15 HA GLU 15 -9.794 -11.292 0.931 118 1HB GLU 15 2HB GLU 15 -10.167 -13.416 -0.110 119 2HB GLU 15 1HB GLU 15 -11.744 -12.863 0.455 120 1HG GLU 15 2HG GLU 15 -12.199 -11.958 -1.827 121 2HG GLU 15 1HG GLU 15 -10.669 -12.645 -2.371 122 H ASP 16 H ASP 16 -10.587 -9.341 -1.638 123 HA ASP 16 HA ASP 16 -8.778 -10.250 -3.674 124 1HB ASP 16 2HB ASP 16 -10.600 -8.125 -3.349 125 2HB ASP 16 1HB ASP 16 -9.031 -7.364 -3.618 126 H TYR 17 H TYR 17 -8.360 -7.329 -1.644 127 HA TYR 17 HA TYR 17 -5.630 -6.962 -2.084 128 1HB TYR 17 2HB TYR 17 -6.919 -5.330 -0.828 129 2HB TYR 17 1HB TYR 17 -7.199 -6.493 0.468 130 HD1 TYR 17 HD1 TYR 17 -6.126 -5.184 2.221 131 HD2 TYR 17 HD2 TYR 17 -4.005 -6.251 -1.362 132 HE1 TYR 17 HE1 TYR 17 -3.988 -4.515 3.287 133 HE2 TYR 17 HE2 TYR 17 -1.867 -5.582 -0.296 134 HH TYR 17 HH TYR 17 -1.706 -4.708 3.108 135 H ARG 18 H ARG 18 -7.196 -9.344 -0.036 136 HA ARG 18 HA ARG 18 -4.913 -10.093 1.518 137 1HB ARG 18 2HB ARG 18 -7.595 -11.030 1.124 138 2HB ARG 18 1HB ARG 18 -6.497 -12.405 0.996 139 1HG ARG 18 2HG ARG 18 -5.887 -12.290 3.189 140 2HG ARG 18 1HG ARG 18 -5.898 -10.525 3.200 141 1HD ARG 18 2HD ARG 18 -8.059 -10.421 3.896 142 2HD ARG 18 1HD ARG 18 -8.556 -11.756 2.856 143 HE ARG 18 HE ARG 18 -7.593 -13.291 4.605 144 1HH1 ARG 18 1HH2 ARG 18 -6.800 -10.311 5.742 145 2HH1 ARG 18 2HH2 ARG 18 -7.623 -10.440 7.261 146 1HH2 ARG 18 2HH1 ARG 18 -9.315 -13.341 6.401 147 2HH2 ARG 18 1HH1 ARG 18 -9.046 -12.154 7.634 148 H VAL 19 H VAL 19 -6.235 -11.508 -1.495 149 HA VAL 19 HA VAL 19 -4.127 -13.402 -1.859 150 HB VAL 19 HB VAL 19 -5.737 -12.054 -4.044 151 1HG1 VAL 19 1HG1 VAL 19 -3.751 -13.559 -4.612 152 2HG1 VAL 19 2HG1 VAL 19 -5.300 -14.034 -5.307 153 3HG1 VAL 19 3HG1 VAL 19 -4.671 -14.881 -3.894 154 1HG2 VAL 19 1HG2 VAL 19 -6.728 -14.630 -3.162 155 2HG2 VAL 19 2HG2 VAL 19 -7.591 -13.098 -3.297 156 3HG2 VAL 19 3HG2 VAL 19 -6.708 -13.485 -1.820 157 H PHE 20 H PHE 20 -4.428 -9.999 -2.742 158 HA PHE 20 HA PHE 20 -2.204 -9.870 -4.533 159 1HB PHE 20 2HB PHE 20 -4.001 -8.086 -4.076 160 2HB PHE 20 1HB PHE 20 -3.026 -7.634 -2.677 161 HD1 PHE 20 HD1 PHE 20 -1.037 -6.352 -2.919 162 HD2 PHE 20 HD2 PHE 20 -2.941 -8.046 -6.378 163 HE1 PHE 20 HE1 PHE 20 0.470 -5.041 -4.390 164 HE2 PHE 20 HE2 PHE 20 -1.433 -6.735 -7.850 165 HZ PHE 20 HZ PHE 20 0.272 -5.232 -6.855 166 H LEU 21 H LEU 21 -2.341 -8.924 -1.075 167 HA LEU 21 HA LEU 21 0.430 -8.494 -0.739 168 1HB LEU 21 2HB LEU 21 -1.476 -8.014 0.914 169 2HB LEU 21 1HB LEU 21 -1.341 -9.706 1.392 170 HG LEU 21 HG LEU 21 1.196 -8.161 1.263 171 1HD1 LEU 21 1HD1 LEU 21 0.338 -7.680 3.848 172 2HD1 LEU 21 2HD1 LEU 21 -1.108 -7.353 2.892 173 3HD1 LEU 21 3HD1 LEU 21 0.388 -6.483 2.554 174 1HD2 LEU 21 1HD2 LEU 21 0.029 -10.068 3.315 175 2HD2 LEU 21 2HD2 LEU 21 1.711 -9.549 3.203 176 3HD2 LEU 21 3HD2 LEU 21 1.015 -10.567 1.941 177 H GLU 22 H GLU 22 -1.434 -11.496 -0.685 178 HA GLU 22 HA GLU 22 0.614 -13.181 0.385 179 1HB GLU 22 2HB GLU 22 -1.992 -13.500 -0.806 180 2HB GLU 22 1HB GLU 22 -0.880 -14.685 -1.493 181 1HG GLU 22 2HG GLU 22 -0.429 -15.664 0.584 182 2HG GLU 22 1HG GLU 22 -0.926 -14.226 1.478 183 H ARG 23 H ARG 23 -0.137 -12.181 -2.942 184 HA ARG 23 HA ARG 23 1.860 -13.871 -4.161 185 1HB ARG 23 2HB ARG 23 -0.198 -12.549 -5.192 186 2HB ARG 23 1HB ARG 23 1.019 -11.295 -5.431 187 1HG ARG 23 2HG ARG 23 2.016 -12.439 -7.106 188 2HG ARG 23 1HG ARG 23 1.979 -13.950 -6.197 189 1HD ARG 23 2HD ARG 23 -0.689 -13.533 -6.799 190 2HD ARG 23 1HD ARG 23 0.135 -12.969 -8.254 191 HE ARG 23 HE ARG 23 0.915 -15.621 -7.175 192 1HH1 ARG 23 2HH1 ARG 23 -1.828 -15.705 -8.392 193 2HH1 ARG 23 1HH1 ARG 23 -1.476 -16.076 -10.046 194 1HH2 ARG 23 1HH2 ARG 23 1.876 -15.223 -9.803 195 2HH2 ARG 23 2HH2 ARG 23 0.619 -15.803 -10.845 196 H LEU 24 H LEU 24 1.859 -10.486 -3.061 197 HA LEU 24 HA LEU 24 4.390 -9.729 -4.074 198 1HB LEU 24 2HB LEU 24 2.473 -8.629 -2.317 199 2HB LEU 24 1HB LEU 24 3.994 -8.646 -1.424 200 HG LEU 24 HG LEU 24 4.336 -7.802 -4.204 201 1HD1 LEU 24 1HD1 LEU 24 2.205 -6.776 -4.085 202 2HD1 LEU 24 2HD1 LEU 24 3.330 -5.492 -3.640 203 3HD1 LEU 24 3HD1 LEU 24 2.417 -6.338 -2.390 204 1HD2 LEU 24 1HD2 LEU 24 4.889 -6.084 -1.816 205 2HD2 LEU 24 2HD2 LEU 24 5.887 -6.376 -3.241 206 3HD2 LEU 24 3HD2 LEU 24 5.785 -7.595 -1.971 207 H GLU 25 H GLU 25 3.547 -11.517 -1.128 208 HA GLU 25 HA GLU 25 6.153 -11.528 0.038 209 1HB GLU 25 2HB GLU 25 3.633 -12.657 0.623 210 2HB GLU 25 1HB GLU 25 4.758 -14.013 0.525 211 1HG GLU 25 2HG GLU 25 6.037 -13.265 2.299 212 2HG GLU 25 1HG GLU 25 5.632 -11.572 2.014 213 H GLN 26 H GLN 26 4.666 -13.572 -2.441 214 HA GLN 26 HA GLN 26 6.768 -15.549 -2.482 215 1HB GLN 26 2HB GLN 26 5.092 -14.820 -4.882 216 2HB GLN 26 1HB GLN 26 5.715 -16.402 -4.413 217 1HG GLN 26 2HG GLN 26 4.237 -16.011 -2.261 218 2HG GLN 26 1HG GLN 26 3.369 -14.892 -3.314 219 1HE2 GLN 26 1HE2 GLN 26 3.442 -18.114 -2.350 220 2HE2 GLN 26 2HE2 GLN 26 2.644 -18.803 -3.681 221 H SER 27 H SER 27 6.468 -12.340 -3.759 222 HA SER 27 HA SER 27 8.132 -12.295 -5.979 223 1HB SER 27 2HB SER 27 7.182 -10.231 -5.232 224 2HB SER 27 1HB SER 27 7.954 -10.366 -3.655 225 HG SER 27 HG SER 27 8.892 -9.044 -5.602 226 H GLY 28 H GLY 28 9.171 -12.314 -2.560 227 1HA GLY 28 2HA GLY 28 11.128 -13.726 -1.976 228 2HA GLY 28 1HA GLY 28 11.842 -13.259 -3.519 229 H LEU 29 H LEU 29 11.026 -10.446 -3.262 230 HA LEU 29 HA LEU 29 13.295 -9.540 -1.660 231 1HB LEU 29 2HB LEU 29 11.471 -8.402 -3.658 232 2HB LEU 29 1HB LEU 29 11.869 -7.273 -2.361 233 HG LEU 29 HG LEU 29 13.479 -7.207 -4.298 234 1HD1 LEU 29 1HD1 LEU 29 15.192 -6.688 -2.874 235 2HD1 LEU 29 2HD1 LEU 29 15.092 -8.231 -2.028 236 3HD1 LEU 29 3HD1 LEU 29 13.956 -6.939 -1.642 237 1HD2 LEU 29 1HD2 LEU 29 13.423 -9.616 -4.828 238 2HD2 LEU 29 2HD2 LEU 29 14.165 -9.981 -3.270 239 3HD2 LEU 29 3HD2 LEU 29 15.073 -9.092 -4.494 240 H GLU 30 H GLU 30 13.148 -8.188 0.209 241 HA GLU 30 HA GLU 30 10.745 -8.703 1.836 242 1HB GLU 30 2HB GLU 30 13.548 -7.954 2.327 243 2HB GLU 30 1HB GLU 30 12.394 -7.123 3.372 244 1HG GLU 30 2HG GLU 30 12.071 -8.991 4.582 245 2HG GLU 30 1HG GLU 30 11.654 -9.900 3.128 246 H TRP 31 H TRP 31 9.491 -6.993 2.792 247 HA TRP 31 HA TRP 31 9.986 -4.227 1.910 248 1HB TRP 31 2HB TRP 31 7.660 -4.044 0.956 249 2HB TRP 31 1HB TRP 31 8.745 -5.055 0.002 250 HD1 TRP 31 HD1 TRP 31 8.094 -7.519 -0.348 251 HE1 TRP 31 HE1 TRP 31 6.152 -9.010 0.459 252 HE3 TRP 31 HE3 TRP 31 5.978 -4.416 3.117 253 HZ2 TRP 31 HZ2 TRP 31 3.989 -8.902 2.326 254 HZ3 TRP 31 HZ3 TRP 31 3.979 -5.135 4.395 255 HH2 TRP 31 HH2 TRP 31 2.984 -7.373 4.004 256 H ARG 32 H ARG 32 8.476 -2.709 3.006 257 HA ARG 32 HA ARG 32 6.997 -3.892 5.299 258 1HB ARG 32 2HB ARG 32 9.068 -1.688 5.557 259 2HB ARG 32 1HB ARG 32 8.033 -2.280 6.857 260 1HG ARG 32 2HG ARG 32 9.136 -4.335 6.981 261 2HG ARG 32 1HG ARG 32 9.751 -4.216 5.331 262 1HD ARG 32 2HD ARG 32 11.161 -2.257 6.107 263 2HD ARG 32 1HD ARG 32 10.685 -2.663 7.756 264 HE ARG 32 HE ARG 32 12.730 -3.990 6.293 265 1HH1 ARG 32 2HH1 ARG 32 10.605 -4.242 8.907 266 2HH1 ARG 32 1HH1 ARG 32 10.889 -5.927 9.190 267 1HH2 ARG 32 1HH2 ARG 32 12.824 -6.350 6.343 268 2HH2 ARG 32 2HH2 ARG 32 12.146 -7.121 7.737 269 HA PRO 33 HA PRO 33 4.139 -0.689 4.370 270 1HB PRO 33 2HB PRO 33 2.956 -0.406 6.837 271 2HB PRO 33 1HB PRO 33 2.657 -1.782 5.761 272 1HG PRO 33 2HG PRO 33 4.289 -1.670 8.254 273 2HG PRO 33 1HG PRO 33 3.458 -3.050 7.518 274 1HD PRO 33 2HD PRO 33 6.233 -2.512 7.365 275 2HD PRO 33 1HD PRO 33 5.341 -3.687 6.375 276 H ALA 34 H ALA 34 5.507 1.143 3.985 277 HA ALA 34 HA ALA 34 6.728 2.630 6.155 278 1HB ALA 34 1HB ALA 34 6.357 4.249 3.810 279 2HB ALA 34 2HB ALA 34 6.848 2.628 3.318 280 3HB ALA 34 3HB ALA 34 7.851 3.550 4.437 281 H THR 35 H THR 35 6.166 5.203 5.971 282 HA THR 35 HA THR 35 3.370 5.370 6.889 283 HB THR 35 HB THR 35 4.547 7.940 6.871 284 HG1 THR 35 HG1 THR 35 6.503 7.402 8.021 285 1HG2 THR 35 1HG2 THR 35 3.648 7.790 8.923 286 2HG2 THR 35 2HG2 THR 35 4.913 6.658 9.400 287 3HG2 THR 35 3HG2 THR 35 3.414 6.057 8.689 288 HA PRO 36 HA PRO 36 1.783 7.383 3.318 289 1HB PRO 36 2HB PRO 36 0.286 9.425 4.391 290 2HB PRO 36 1HB PRO 36 -0.192 7.719 4.463 291 1HG PRO 36 2HG PRO 36 0.888 9.456 6.632 292 2HG PRO 36 1HG PRO 36 -0.149 8.026 6.752 293 1HD PRO 36 2HD PRO 36 2.640 8.101 7.245 294 2HD PRO 36 1HD PRO 36 1.653 6.638 7.046 295 H GLU 37 H GLU 37 3.904 9.084 5.369 296 HA GLU 37 HA GLU 37 4.153 11.309 3.385 297 1HB GLU 37 2HB GLU 37 3.764 11.488 6.120 298 2HB GLU 37 1HB GLU 37 5.510 11.674 5.962 299 1HG GLU 37 2HG GLU 37 3.780 13.187 4.055 300 2HG GLU 37 1HG GLU 37 3.861 13.761 5.721 301 H ASP 38 H ASP 38 5.582 8.470 4.458 302 HA ASP 38 HA ASP 38 8.167 9.271 3.217 303 1HB ASP 38 2HB ASP 38 8.192 9.289 5.814 304 2HB ASP 38 1HB ASP 38 8.103 7.533 5.681 305 H ALA 39 H ALA 39 6.212 7.865 1.876 306 HA ALA 39 HA ALA 39 6.988 4.998 2.099 307 1HB ALA 39 1HB ALA 39 4.800 4.650 1.706 308 2HB ALA 39 2HB ALA 39 5.006 5.354 0.102 309 3HB ALA 39 3HB ALA 39 4.541 6.378 1.462 310 H ASP 40 H ASP 40 8.367 4.149 0.615 311 HA ASP 40 HA ASP 40 9.548 5.785 -1.439 312 1HB ASP 40 2HB ASP 40 10.600 3.767 -0.272 313 2HB ASP 40 1HB ASP 40 9.612 2.761 -1.332 314 H ALA 41 H ALA 41 7.078 3.226 -1.483 315 HA ALA 41 HA ALA 41 6.217 4.236 -4.144 316 1HB ALA 41 1HB ALA 41 7.043 2.407 -5.177 317 2HB ALA 41 2HB ALA 41 5.858 1.456 -4.282 318 3HB ALA 41 3HB ALA 41 7.486 1.669 -3.637 319 H VAL 42 H VAL 42 3.994 4.328 -4.288 320 HA VAL 42 HA VAL 42 2.471 3.145 -2.005 321 HB VAL 42 HB VAL 42 1.423 5.253 -3.890 322 1HG1 VAL 42 1HG1 VAL 42 -0.278 5.441 -2.384 323 2HG1 VAL 42 2HG1 VAL 42 0.795 5.228 -1.000 324 3HG1 VAL 42 3HG1 VAL 42 0.226 3.822 -1.898 325 1HG2 VAL 42 1HG2 VAL 42 2.327 6.982 -2.505 326 2HG2 VAL 42 2HG2 VAL 42 3.674 5.900 -2.858 327 3HG2 VAL 42 3HG2 VAL 42 2.869 5.822 -1.292 328 H ILE 43 H ILE 43 1.141 1.461 -2.458 329 HA ILE 43 HA ILE 43 0.459 0.968 -5.326 330 HB ILE 43 HB ILE 43 0.775 -0.899 -2.966 331 1HG1 ILE 43 2HG1 ILE 43 2.000 -1.717 -5.439 332 2HG1 ILE 43 1HG1 ILE 43 2.452 -0.046 -5.097 333 1HG2 ILE 43 1HG2 ILE 43 0.216 -2.435 -5.230 334 2HG2 ILE 43 2HG2 ILE 43 -0.976 -1.136 -5.286 335 3HG2 ILE 43 3HG2 ILE 43 -0.865 -2.170 -3.862 336 1HD1 ILE 43 1HD1 ILE 43 2.530 -1.684 -2.692 337 2HD1 ILE 43 2HD1 ILE 43 3.791 -0.669 -3.393 338 3HD1 ILE 43 3HD1 ILE 43 3.583 -2.330 -3.950 339 H VAL 44 H VAL 44 -1.445 2.221 -5.413 340 HA VAL 44 HA VAL 44 -3.550 1.734 -3.396 341 HB VAL 44 HB VAL 44 -3.773 3.460 -5.867 342 1HG1 VAL 44 1HG1 VAL 44 -5.846 3.658 -4.974 343 2HG1 VAL 44 2HG1 VAL 44 -5.074 4.655 -3.741 344 3HG1 VAL 44 3HG1 VAL 44 -5.346 2.937 -3.443 345 1HG2 VAL 44 1HG2 VAL 44 -1.965 4.559 -4.988 346 2HG2 VAL 44 2HG2 VAL 44 -2.183 3.850 -3.389 347 3HG2 VAL 44 3HG2 VAL 44 -3.175 5.220 -3.889 348 H LEU 45 H LEU 45 -4.837 -0.017 -3.700 349 HA LEU 45 HA LEU 45 -5.153 -1.176 -6.387 350 1HB LEU 45 2HB LEU 45 -6.563 -2.055 -3.860 351 2HB LEU 45 1HB LEU 45 -6.198 -3.017 -5.293 352 HG LEU 45 HG LEU 45 -4.226 -1.932 -3.268 353 1HD1 LEU 45 1HD1 LEU 45 -3.807 -4.208 -2.744 354 2HD1 LEU 45 2HD1 LEU 45 -4.624 -4.778 -4.199 355 3HD1 LEU 45 3HD1 LEU 45 -5.562 -4.099 -2.868 356 1HD2 LEU 45 1HD2 LEU 45 -3.416 -1.715 -5.637 357 2HD2 LEU 45 2HD2 LEU 45 -3.654 -3.451 -5.832 358 3HD2 LEU 45 3HD2 LEU 45 -2.466 -2.849 -4.677 359 H ALA 46 H ALA 46 -6.845 -0.701 -7.710 360 HA ALA 46 HA ALA 46 -8.915 1.147 -6.787 361 1HB ALA 46 1HB ALA 46 -9.471 1.405 -9.030 362 2HB ALA 46 2HB ALA 46 -9.056 -0.262 -9.431 363 3HB ALA 46 3HB ALA 46 -7.779 0.925 -9.164 364 H GLY 47 H GLY 47 -8.544 -2.117 -6.426 365 1HA GLY 47 2HA GLY 47 -11.172 -3.082 -7.130 366 2HA GLY 47 1HA GLY 47 -10.043 -3.887 -6.040 367 H LEU 48 H LEU 48 -9.998 -1.113 -4.594 368 HA LEU 48 HA LEU 48 -12.390 -1.711 -2.912 369 1HB LEU 48 2HB LEU 48 -10.077 0.053 -2.108 370 2HB LEU 48 1HB LEU 48 -11.212 -0.810 -1.070 371 HG LEU 48 HG LEU 48 -9.335 -2.265 -2.940 372 1HD1 LEU 48 1HD1 LEU 48 -8.751 -0.874 -0.420 373 2HD1 LEU 48 2HD1 LEU 48 -7.641 -1.522 -1.628 374 3HD1 LEU 48 3HD1 LEU 48 -8.313 -2.583 -0.390 375 1HD2 LEU 48 1HD2 LEU 48 -10.239 -3.385 -0.348 376 2HD2 LEU 48 2HD2 LEU 48 -10.115 -4.161 -1.926 377 3HD2 LEU 48 3HD2 LEU 48 -11.506 -3.144 -1.550 378 H TRP 49 H TRP 49 -12.380 -0.128 -5.429 379 HA TRP 49 HA TRP 49 -12.578 2.676 -4.733 380 1HB TRP 49 2HB TRP 49 -12.175 1.644 -7.061 381 2HB TRP 49 1HB TRP 49 -13.913 1.356 -7.099 382 HD1 TRP 49 HD1 TRP 49 -15.436 3.663 -6.526 383 HE1 TRP 49 HE1 TRP 49 -15.059 6.043 -7.441 384 HE3 TRP 49 HE3 TRP 49 -10.541 3.299 -7.938 385 HZ2 TRP 49 HZ2 TRP 49 -12.958 7.590 -8.616 386 HZ3 TRP 49 HZ3 TRP 49 -9.376 5.240 -8.952 387 HH2 TRP 49 HH2 TRP 49 -10.579 7.382 -9.293 388 H GLY 50 H GLY 50 -14.781 -0.041 -4.689 389 1HA GLY 50 2HA GLY 50 -17.054 1.804 -4.127 390 2HA GLY 50 1HA GLY 50 -17.220 0.110 -4.587 391 H THR 51 H THR 51 -15.060 1.481 -2.116 392 HA THR 51 HA THR 51 -16.757 0.531 0.067 393 HB THR 51 HB THR 51 -15.910 -1.604 -0.149 394 HG1 THR 51 HG1 THR 51 -15.118 -1.185 1.801 395 1HG2 THR 51 1HG2 THR 51 -13.824 -0.209 -1.693 396 2HG2 THR 51 2HG2 THR 51 -14.571 -1.781 -1.974 397 3HG2 THR 51 3HG2 THR 51 -13.251 -1.627 -0.816 398 H ARG 52 H ARG 52 -13.331 1.278 -0.686 399 HA ARG 52 HA ARG 52 -13.387 3.159 1.640 400 1HB ARG 52 2HB ARG 52 -11.506 1.088 0.867 401 2HB ARG 52 1HB ARG 52 -10.707 2.658 0.962 402 1HG ARG 52 2HG ARG 52 -10.583 1.786 3.167 403 2HG ARG 52 1HG ARG 52 -11.911 2.946 3.217 404 1HD ARG 52 2HD ARG 52 -13.483 1.015 2.754 405 2HD ARG 52 1HD ARG 52 -12.112 -0.067 3.002 406 HE ARG 52 HE ARG 52 -13.264 1.708 5.111 407 1HH1 ARG 52 1HH2 ARG 52 -13.236 -1.445 4.704 408 2HH1 ARG 52 2HH2 ARG 52 -12.160 -1.869 5.992 409 1HH2 ARG 52 2HH1 ARG 52 -11.061 1.380 6.501 410 2HH2 ARG 52 1HH1 ARG 52 -10.928 -0.271 7.010 411 H ARG 53 H ARG 53 -14.393 4.307 -0.522 412 HA ARG 53 HA ARG 53 -12.401 5.385 -2.342 413 1HB ARG 53 2HB ARG 53 -15.134 5.180 -2.389 414 2HB ARG 53 1HB ARG 53 -14.917 6.887 -2.004 415 1HG ARG 53 2HG ARG 53 -13.495 5.490 -4.286 416 2HG ARG 53 1HG ARG 53 -15.000 6.391 -4.478 417 1HD ARG 53 2HD ARG 53 -13.953 8.438 -3.744 418 2HD ARG 53 1HD ARG 53 -12.480 7.578 -3.288 419 HE ARG 53 HE ARG 53 -13.385 7.708 -6.136 420 1HH1 ARG 53 1HH2 ARG 53 -11.659 9.967 -5.151 421 2HH1 ARG 53 2HH2 ARG 53 -10.072 9.406 -5.559 422 1HH2 ARG 53 2HH1 ARG 53 -11.066 6.115 -6.019 423 2HH2 ARG 53 1HH1 ARG 53 -9.736 7.224 -6.050 424 H ASP 54 H ASP 54 -14.239 6.724 0.415 425 HA ASP 54 HA ASP 54 -13.080 9.317 0.378 426 1HB ASP 54 2HB ASP 54 -14.049 7.693 2.752 427 2HB ASP 54 1HB ASP 54 -13.752 9.432 2.764 428 H GLU 55 H GLU 55 -11.954 6.287 1.830 429 HA GLU 55 HA GLU 55 -9.748 7.472 3.265 430 1HB GLU 55 2HB GLU 55 -10.881 4.894 2.981 431 2HB GLU 55 1HB GLU 55 -9.199 4.754 2.467 432 1HG GLU 55 2HG GLU 55 -8.876 4.499 4.729 433 2HG GLU 55 1HG GLU 55 -8.831 6.261 4.659 434 H ILE 56 H ILE 56 -9.695 5.424 0.322 435 HA ILE 56 HA ILE 56 -7.062 5.739 -0.441 436 HB ILE 56 HB ILE 56 -9.513 5.818 -2.226 437 1HG1 ILE 56 2HG1 ILE 56 -7.706 3.458 -1.944 438 2HG1 ILE 56 1HG1 ILE 56 -8.780 3.816 -0.592 439 1HG2 ILE 56 1HG2 ILE 56 -7.564 4.749 -3.762 440 2HG2 ILE 56 2HG2 ILE 56 -6.593 5.860 -2.796 441 3HG2 ILE 56 3HG2 ILE 56 -7.937 6.474 -3.760 442 1HD1 ILE 56 1HD1 ILE 56 -10.185 2.488 -1.861 443 2HD1 ILE 56 2HD1 ILE 56 -9.458 2.994 -3.387 444 3HD1 ILE 56 3HD1 ILE 56 -10.574 4.068 -2.542 445 H LEU 57 H LEU 57 -9.654 8.129 -0.783 446 HA LEU 57 HA LEU 57 -8.326 10.000 -2.436 447 1HB LEU 57 2HB LEU 57 -10.702 10.198 -1.733 448 2HB LEU 57 1HB LEU 57 -10.168 10.599 -0.101 449 HG LEU 57 HG LEU 57 -8.970 12.571 -0.970 450 1HD1 LEU 57 1HD1 LEU 57 -9.986 11.483 -3.594 451 2HD1 LEU 57 2HD1 LEU 57 -8.347 11.974 -3.169 452 3HD1 LEU 57 3HD1 LEU 57 -9.598 13.193 -3.407 453 1HD2 LEU 57 1HD2 LEU 57 -10.922 13.919 -1.460 454 2HD2 LEU 57 2HD2 LEU 57 -11.402 12.682 -0.298 455 3HD2 LEU 57 3HD2 LEU 57 -11.822 12.502 -2.002 456 H GLY 58 H GLY 58 -8.420 9.964 1.150 457 1HA GLY 58 2HA GLY 58 -6.601 12.065 1.588 458 2HA GLY 58 1HA GLY 58 -6.817 10.711 2.697 459 H ALA 59 H ALA 59 -5.888 8.580 1.216 460 HA ALA 59 HA ALA 59 -3.099 8.684 1.558 461 1HB ALA 59 1HB ALA 59 -4.934 6.930 -0.036 462 2HB ALA 59 2HB ALA 59 -3.892 6.512 1.324 463 3HB ALA 59 3HB ALA 59 -3.195 6.774 -0.275 464 H VAL 60 H VAL 60 -5.035 9.435 -1.325 465 HA VAL 60 HA VAL 60 -2.737 9.832 -3.044 466 HB VAL 60 HB VAL 60 -5.411 11.160 -3.462 467 1HG1 VAL 60 1HG1 VAL 60 -3.044 10.841 -4.971 468 2HG1 VAL 60 2HG1 VAL 60 -4.587 11.482 -5.533 469 3HG1 VAL 60 3HG1 VAL 60 -4.233 9.763 -5.702 470 1HG2 VAL 60 1HG2 VAL 60 -6.457 9.166 -3.401 471 2HG2 VAL 60 2HG2 VAL 60 -4.939 8.347 -3.027 472 3HG2 VAL 60 3HG2 VAL 60 -5.410 8.613 -4.706 473 H ASP 61 H ASP 61 -4.531 11.852 -0.807 474 HA ASP 61 HA ASP 61 -3.576 14.389 -1.760 475 1HB ASP 61 2HB ASP 61 -5.508 14.044 -0.176 476 2HB ASP 61 1HB ASP 61 -4.332 13.671 1.085 477 H LEU 62 H LEU 62 -2.299 12.065 0.608 478 HA LEU 62 HA LEU 62 -0.105 13.805 1.401 479 1HB LEU 62 2HB LEU 62 -1.146 11.212 2.157 480 2HB LEU 62 1HB LEU 62 0.606 11.142 1.970 481 HG LEU 62 HG LEU 62 -0.374 13.548 3.368 482 1HD1 LEU 62 1HD1 LEU 62 -1.571 11.113 4.068 483 2HD1 LEU 62 2HD1 LEU 62 -1.515 12.574 5.053 484 3HD1 LEU 62 3HD1 LEU 62 -0.279 11.331 5.248 485 1HD2 LEU 62 1HD2 LEU 62 1.541 13.025 4.808 486 2HD2 LEU 62 2HD2 LEU 62 2.020 12.900 3.115 487 3HD2 LEU 62 3HD2 LEU 62 1.702 11.439 4.052 488 H ALA 63 H ALA 63 -0.418 11.010 -0.794 489 HA ALA 63 HA ALA 63 2.367 10.925 -1.504 490 1HB ALA 63 1HB ALA 63 1.592 9.562 -3.429 491 2HB ALA 63 2HB ALA 63 -0.074 9.991 -3.042 492 3HB ALA 63 3HB ALA 63 0.873 9.024 -1.911 493 H ARG 64 H ARG 64 -0.330 12.861 -2.627 494 HA ARG 64 HA ARG 64 1.009 13.743 -5.061 495 1HB ARG 64 2HB ARG 64 -1.584 13.800 -4.224 496 2HB ARG 64 1HB ARG 64 -1.101 15.467 -3.904 497 1HG ARG 64 2HG ARG 64 -0.308 14.264 -6.522 498 2HG ARG 64 1HG ARG 64 -1.997 14.723 -6.304 499 1HD ARG 64 2HD ARG 64 0.311 16.587 -5.708 500 2HD ARG 64 1HD ARG 64 -0.517 16.545 -7.264 501 HE ARG 64 HE ARG 64 -2.376 16.861 -5.057 502 1HH1 ARG 64 1HH2 ARG 64 0.104 18.518 -6.765 503 2HH1 ARG 64 2HH2 ARG 64 -0.741 20.030 -6.801 504 1HH2 ARG 64 2HH1 ARG 64 -3.583 18.786 -5.256 505 2HH2 ARG 64 1HH1 ARG 64 -2.826 20.181 -5.948 506 H LYS 65 H LYS 65 0.809 14.871 -1.731 507 HA LYS 65 HA LYS 65 2.041 17.453 -2.365 508 1HB LYS 65 2HB LYS 65 0.460 16.705 -0.334 509 2HB LYS 65 1HB LYS 65 2.023 16.399 0.424 510 1HG LYS 65 2HG LYS 65 2.678 18.638 0.293 511 2HG LYS 65 1HG LYS 65 1.556 18.991 -1.022 512 1HD LYS 65 2HD LYS 65 -0.251 18.328 0.821 513 2HD LYS 65 1HD LYS 65 1.039 18.824 1.917 514 1HE LYS 65 2HE LYS 65 0.608 20.992 1.502 515 2HE LYS 65 1HE LYS 65 0.831 20.733 -0.227 516 1HZ LYS 65 1HZ LYS 65 -1.425 21.542 0.499 517 2HZ LYS 65 2HZ LYS 65 -1.670 20.006 1.181 518 3HZ LYS 65 3HZ LYS 65 -1.416 20.165 -0.492 519 H SER 66 H SER 66 3.293 14.471 -2.497 520 HA SER 66 HA SER 66 5.955 15.424 -1.526 521 1HB SER 66 2HB SER 66 4.581 12.795 -1.034 522 2HB SER 66 1HB SER 66 6.339 12.871 -1.090 523 HG SER 66 HG SER 66 4.844 13.412 0.948 524 H SER 67 H SER 67 4.258 14.764 -4.194 525 HA SER 67 HA SER 67 4.801 14.017 -6.356 526 1HB SER 67 2HB SER 67 7.643 14.593 -5.487 527 2HB SER 67 1HB SER 67 6.997 14.634 -7.124 528 HG SER 67 HG SER 67 6.987 16.544 -5.212 529 H LYS 68 H LYS 68 4.600 11.960 -4.368 530 HA LYS 68 HA LYS 68 6.867 10.133 -4.818 531 1HB LYS 68 2HB LYS 68 4.334 9.164 -3.581 532 2HB LYS 68 1HB LYS 68 6.004 8.867 -3.099 533 1HG LYS 68 2HG LYS 68 5.859 11.535 -2.646 534 2HG LYS 68 1HG LYS 68 4.182 11.084 -2.341 535 1HD LYS 68 2HD LYS 68 5.384 10.899 -0.252 536 2HD LYS 68 1HD LYS 68 5.028 9.266 -0.815 537 1HE LYS 68 2HE LYS 68 7.253 8.927 -0.447 538 2HE LYS 68 1HE LYS 68 7.428 9.695 -2.025 539 1HZ LYS 68 1HZ LYS 68 8.171 11.607 -1.118 540 2HZ LYS 68 2HZ LYS 68 8.658 10.574 0.138 541 3HZ LYS 68 3HZ LYS 68 7.218 11.465 0.277 542 HA PRO 69 HA PRO 69 5.056 7.974 -8.184 543 1HB PRO 69 2HB PRO 69 6.094 5.465 -7.741 544 2HB PRO 69 1HB PRO 69 7.047 6.824 -8.362 545 1HG PRO 69 2HG PRO 69 7.055 5.617 -5.635 546 2HG PRO 69 1HG PRO 69 8.347 6.482 -6.483 547 1HD PRO 69 2HD PRO 69 6.687 7.559 -4.461 548 2HD PRO 69 1HD PRO 69 7.739 8.487 -5.551 549 H ILE 70 H ILE 70 2.840 7.686 -8.018 550 HA ILE 70 HA ILE 70 1.839 5.638 -6.087 551 HB ILE 70 HB ILE 70 0.333 7.864 -7.496 552 1HG1 ILE 70 2HG1 ILE 70 0.754 7.760 -4.537 553 2HG1 ILE 70 1HG1 ILE 70 2.109 8.281 -5.540 554 1HG2 ILE 70 1HG2 ILE 70 -0.855 6.675 -5.110 555 2HG2 ILE 70 2HG2 ILE 70 -0.623 5.489 -6.394 556 3HG2 ILE 70 3HG2 ILE 70 -1.569 6.946 -6.700 557 1HD1 ILE 70 1HD1 ILE 70 0.353 9.829 -6.691 558 2HD1 ILE 70 2HD1 ILE 70 0.983 10.297 -5.111 559 3HD1 ILE 70 3HD1 ILE 70 -0.607 9.545 -5.239 560 H ILE 71 H ILE 71 1.485 3.702 -7.068 561 HA ILE 71 HA ILE 71 0.636 3.712 -9.930 562 HB ILE 71 HB ILE 71 1.884 1.529 -8.234 563 1HG1 ILE 71 2HG1 ILE 71 3.091 2.583 -10.750 564 2HG1 ILE 71 1HG1 ILE 71 3.158 3.628 -9.329 565 1HG2 ILE 71 1HG2 ILE 71 0.399 1.468 -10.765 566 2HG2 ILE 71 2HG2 ILE 71 0.856 0.139 -9.699 567 3HG2 ILE 71 3HG2 ILE 71 2.007 0.753 -10.886 568 1HD1 ILE 71 1HD1 ILE 71 3.906 1.290 -8.199 569 2HD1 ILE 71 2HD1 ILE 71 5.060 2.423 -8.901 570 3HD1 ILE 71 3HD1 ILE 71 4.512 1.031 -9.834 571 H THR 72 H THR 72 -1.289 2.695 -10.511 572 HA THR 72 HA THR 72 -2.998 1.802 -8.225 573 HB THR 72 HB THR 72 -3.997 2.615 -10.958 574 HG1 THR 72 HG1 THR 72 -3.320 4.191 -8.716 575 1HG2 THR 72 1HG2 THR 72 -5.616 1.464 -9.592 576 2HG2 THR 72 2HG2 THR 72 -6.024 3.179 -9.566 577 3HG2 THR 72 3HG2 THR 72 -5.204 2.447 -8.186 578 H VAL 73 H VAL 73 -3.797 -0.275 -8.252 579 HA VAL 73 HA VAL 73 -2.978 -1.980 -10.552 580 HB VAL 73 HB VAL 73 -3.995 -2.841 -7.827 581 1HG1 VAL 73 1HG1 VAL 73 -2.387 -4.353 -9.905 582 2HG1 VAL 73 2HG1 VAL 73 -4.141 -4.462 -9.759 583 3HG1 VAL 73 3HG1 VAL 73 -3.112 -5.006 -8.436 584 1HG2 VAL 73 1HG2 VAL 73 -1.587 -1.544 -8.397 585 2HG2 VAL 73 2HG2 VAL 73 -1.160 -3.256 -8.391 586 3HG2 VAL 73 3HG2 VAL 73 -1.922 -2.533 -6.975 587 H ARG 74 H ARG 74 -4.506 -2.895 -11.868 588 HA ARG 74 HA ARG 74 -7.190 -1.974 -11.883 589 1HB ARG 74 2HB ARG 74 -5.948 -4.459 -13.100 590 2HB ARG 74 1HB ARG 74 -7.592 -3.920 -13.441 591 1HG ARG 74 2HG ARG 74 -6.895 -2.107 -14.671 592 2HG ARG 74 1HG ARG 74 -5.421 -1.899 -13.723 593 1HD ARG 74 2HD ARG 74 -4.223 -3.368 -15.010 594 2HD ARG 74 1HD ARG 74 -5.618 -4.404 -15.311 595 HE ARG 74 HE ARG 74 -4.970 -1.918 -16.817 596 1HH1 ARG 74 1HH2 ARG 74 -7.932 -2.517 -16.539 597 2HH1 ARG 74 2HH2 ARG 74 -8.229 -3.447 -17.970 598 1HH2 ARG 74 2HH1 ARG 74 -4.876 -4.086 -18.573 599 2HH2 ARG 74 1HH1 ARG 74 -6.500 -4.334 -19.121 600 HA PRO 75 HA PRO 75 -9.145 -4.514 -8.883 601 1HB PRO 75 2HB PRO 75 -11.695 -4.513 -9.911 602 2HB PRO 75 1HB PRO 75 -10.970 -3.120 -9.089 603 1HG PRO 75 2HG PRO 75 -11.462 -3.530 -12.001 604 2HG PRO 75 1HG PRO 75 -11.353 -2.020 -11.084 605 1HD PRO 75 2HD PRO 75 -9.317 -3.117 -12.716 606 2HD PRO 75 1HD PRO 75 -9.117 -1.800 -11.540 607 H TYR 76 H TYR 76 -10.193 -6.637 -8.620 608 HA TYR 76 HA TYR 76 -9.398 -8.523 -10.716 609 1HB TYR 76 2HB TYR 76 -9.122 -9.023 -8.282 610 2HB TYR 76 1HB TYR 76 -10.878 -9.042 -8.120 611 HD1 TYR 76 HD1 TYR 76 -12.228 -10.731 -9.414 612 HD2 TYR 76 HD2 TYR 76 -7.938 -10.884 -9.199 613 HE1 TYR 76 HE1 TYR 76 -12.274 -13.093 -10.171 614 HE2 TYR 76 HE2 TYR 76 -7.985 -13.247 -9.957 615 HH TYR 76 HH TYR 76 -9.333 -15.049 -10.268 616 H GLY 77 H GLY 77 -12.487 -7.733 -9.077 617 1HA GLY 77 2HA GLY 77 -13.898 -8.178 -11.635 618 2HA GLY 77 1HA GLY 77 -14.346 -9.245 -10.302 619 H LEU 78 H LEU 78 -14.257 -5.857 -11.330 620 HA LEU 78 HA LEU 78 -16.753 -5.287 -10.002 621 1HB LEU 78 2HB LEU 78 -14.418 -5.089 -8.386 622 2HB LEU 78 1HB LEU 78 -14.955 -3.445 -8.730 623 HG LEU 78 HG LEU 78 -17.242 -5.104 -8.161 624 1HD1 LEU 78 1HD1 LEU 78 -15.590 -4.884 -5.705 625 2HD1 LEU 78 2HD1 LEU 78 -15.112 -6.142 -6.843 626 3HD1 LEU 78 3HD1 LEU 78 -16.744 -6.130 -6.177 627 1HD2 LEU 78 1HD2 LEU 78 -16.380 -2.493 -7.782 628 2HD2 LEU 78 2HD2 LEU 78 -16.426 -3.140 -6.141 629 3HD2 LEU 78 3HD2 LEU 78 -17.876 -3.180 -7.145 630 H GLU 79 H GLU 79 -13.758 -4.052 -11.426 631 HA GLU 79 HA GLU 79 -13.443 -2.361 -13.023 632 1HB GLU 79 2HB GLU 79 -16.438 -2.110 -13.250 633 2HB GLU 79 1HB GLU 79 -15.214 -1.860 -14.495 634 1HG GLU 79 2HG GLU 79 -16.020 -4.505 -13.253 635 2HG GLU 79 1HG GLU 79 -16.306 -3.988 -14.915 636 H ASN 80 H ASN 80 -12.930 -0.287 -12.552 637 HA ASN 80 HA ASN 80 -14.644 1.737 -11.635 638 1HB ASN 80 2HB ASN 80 -13.865 -0.124 -9.540 639 2HB ASN 80 1HB ASN 80 -13.301 1.509 -9.182 640 1HD2 ASN 80 1HD2 ASN 80 -15.483 0.134 -7.769 641 2HD2 ASN 80 2HD2 ASN 80 -16.890 1.046 -8.034 642 H VAL 81 H VAL 81 -12.389 1.421 -13.351 643 HA VAL 81 HA VAL 81 -10.394 3.194 -12.000 644 HB VAL 81 HB VAL 81 -9.998 1.189 -14.241 645 1HG1 VAL 81 1HG1 VAL 81 -7.860 2.854 -12.907 646 2HG1 VAL 81 2HG1 VAL 81 -8.692 3.411 -14.360 647 3HG1 VAL 81 3HG1 VAL 81 -7.749 1.921 -14.399 648 1HG2 VAL 81 1HG2 VAL 81 -8.989 -0.179 -12.683 649 2HG2 VAL 81 2HG2 VAL 81 -10.123 0.644 -11.610 650 3HG2 VAL 81 3HG2 VAL 81 -8.444 1.176 -11.694 651 HA PRO 82 HA PRO 82 -12.342 5.588 -15.408 652 1HB PRO 82 2HB PRO 82 -12.797 7.824 -13.873 653 2HB PRO 82 1HB PRO 82 -13.947 6.483 -14.015 654 1HG PRO 82 2HG PRO 82 -12.156 7.187 -11.738 655 2HG PRO 82 1HG PRO 82 -13.697 6.316 -11.723 656 1HD PRO 82 2HD PRO 82 -11.126 5.142 -11.535 657 2HD PRO 82 1HD PRO 82 -12.649 4.282 -11.852 658 HA PRO 83 HA PRO 83 -8.807 8.114 -16.209 659 1HB PRO 83 2HB PRO 83 -9.930 10.306 -17.429 660 2HB PRO 83 1HB PRO 83 -9.791 8.718 -18.204 661 1HG PRO 83 2HG PRO 83 -12.209 10.051 -17.081 662 2HG PRO 83 1HG PRO 83 -12.094 8.828 -18.356 663 1HD PRO 83 2HD PRO 83 -12.843 8.359 -15.663 664 2HD PRO 83 1HD PRO 83 -12.425 7.120 -16.865 665 H GLU 84 H GLU 84 -10.762 8.870 -13.720 666 HA GLU 84 HA GLU 84 -9.951 11.651 -13.272 667 1HB GLU 84 2HB GLU 84 -11.904 9.839 -12.194 668 2HB GLU 84 1HB GLU 84 -10.929 10.485 -10.873 669 1HG GLU 84 2HG GLU 84 -11.789 12.438 -12.939 670 2HG GLU 84 1HG GLU 84 -13.060 11.797 -11.898 671 H LEU 85 H LEU 85 -9.372 8.571 -11.520 672 HA LEU 85 HA LEU 85 -7.254 9.722 -9.917 673 1HB LEU 85 2HB LEU 85 -8.732 7.587 -9.501 674 2HB LEU 85 1HB LEU 85 -7.479 6.771 -10.435 675 HG LEU 85 HG LEU 85 -6.290 8.552 -8.483 676 1HD1 LEU 85 1HD1 LEU 85 -8.615 6.992 -7.620 677 2HD1 LEU 85 2HD1 LEU 85 -7.730 8.254 -6.763 678 3HD1 LEU 85 3HD1 LEU 85 -7.152 6.588 -6.721 679 1HD2 LEU 85 1HD2 LEU 85 -5.682 6.202 -9.774 680 2HD2 LEU 85 2HD2 LEU 85 -6.056 5.630 -8.148 681 3HD2 LEU 85 3HD2 LEU 85 -4.794 6.839 -8.389 682 H GLU 86 H GLU 86 -7.384 8.690 -13.148 683 HA GLU 86 HA GLU 86 -4.697 7.641 -13.392 684 1HB GLU 86 2HB GLU 86 -6.698 7.400 -15.034 685 2HB GLU 86 1HB GLU 86 -6.203 8.983 -15.633 686 1HG GLU 86 2HG GLU 86 -3.984 7.071 -15.302 687 2HG GLU 86 1HG GLU 86 -5.171 6.601 -16.520 688 H ALA 87 H ALA 87 -6.104 10.852 -13.431 689 HA ALA 87 HA ALA 87 -3.881 12.211 -14.646 690 1HB ALA 87 1HB ALA 87 -4.862 14.227 -13.400 691 2HB ALA 87 2HB ALA 87 -6.095 13.119 -12.799 692 3HB ALA 87 3HB ALA 87 -5.938 13.408 -14.531 693 H VAL 88 H VAL 88 -4.155 10.625 -11.672 694 HA VAL 88 HA VAL 88 -1.965 12.285 -10.497 695 HB VAL 88 HB VAL 88 -3.483 10.219 -8.935 696 1HG1 VAL 88 1HG1 VAL 88 -2.170 11.116 -7.338 697 2HG1 VAL 88 2HG1 VAL 88 -3.070 12.622 -7.519 698 3HG1 VAL 88 3HG1 VAL 88 -1.595 12.360 -8.449 699 1HG2 VAL 88 1HG2 VAL 88 -4.529 12.776 -10.045 700 2HG2 VAL 88 2HG2 VAL 88 -4.883 12.451 -8.349 701 3HG2 VAL 88 3HG2 VAL 88 -5.397 11.311 -9.591 702 H SER 89 H SER 89 -3.030 8.859 -10.532 703 HA SER 89 HA SER 89 -0.603 7.681 -9.792 704 1HB SER 89 2HB SER 89 -3.055 6.795 -10.901 705 2HB SER 89 1HB SER 89 -1.780 6.133 -11.920 706 HG SER 89 HG SER 89 -1.828 6.008 -9.081 707 H SER 90 H SER 90 1.206 6.895 -11.006 708 HA SER 90 HA SER 90 1.626 8.370 -13.567 709 1HB SER 90 2HB SER 90 3.551 7.268 -11.512 710 2HB SER 90 1HB SER 90 4.076 7.817 -13.100 711 HG SER 90 HG SER 90 3.605 9.840 -12.570 712 H GLU 91 H GLU 91 1.319 5.220 -12.169 713 HA GLU 91 HA GLU 91 1.563 4.028 -14.855 714 1HB GLU 91 2HB GLU 91 3.536 3.639 -12.677 715 2HB GLU 91 1HB GLU 91 2.984 2.165 -13.474 716 1HG GLU 91 2HG GLU 91 3.420 3.471 -15.685 717 2HG GLU 91 1HG GLU 91 4.396 4.539 -14.676 718 H VAL 92 H VAL 92 0.795 1.718 -14.809 719 HA VAL 92 HA VAL 92 -0.991 1.192 -12.471 720 HB VAL 92 HB VAL 92 -2.625 0.248 -14.199 721 1HG1 VAL 92 1HG1 VAL 92 -2.084 3.221 -14.423 722 2HG1 VAL 92 2HG1 VAL 92 -2.832 2.477 -13.009 723 3HG1 VAL 92 3HG1 VAL 92 -3.637 2.401 -14.577 724 1HG2 VAL 92 1HG2 VAL 92 -0.893 1.927 -16.044 725 2HG2 VAL 92 2HG2 VAL 92 -2.393 1.110 -16.486 726 3HG2 VAL 92 3HG2 VAL 92 -0.968 0.164 -16.056 727 H VAL 93 H VAL 93 -1.553 -1.116 -12.248 728 HA VAL 93 HA VAL 93 0.392 -2.924 -13.617 729 HB VAL 93 HB VAL 93 -0.379 -2.852 -10.691 730 1HG1 VAL 93 1HG1 VAL 93 1.219 -4.945 -12.199 731 2HG1 VAL 93 2HG1 VAL 93 -0.401 -5.178 -11.540 732 3HG1 VAL 93 3HG1 VAL 93 0.962 -4.904 -10.455 733 1HG2 VAL 93 1HG2 VAL 93 1.861 -2.300 -10.289 734 2HG2 VAL 93 2HG2 VAL 93 1.542 -1.427 -11.787 735 3HG2 VAL 93 3HG2 VAL 93 2.403 -2.966 -11.831 736 H GLY 94 H GLY 94 -0.376 -5.204 -13.686 737 1HA GLY 94 2HA GLY 94 -3.366 -5.298 -13.724 738 2HA GLY 94 1HA GLY 94 -2.339 -6.231 -14.813 739 H TRP 95 H TRP 95 -3.317 -8.209 -14.091 740 HA TRP 95 HA TRP 95 -2.699 -8.964 -11.268 741 1HB TRP 95 2HB TRP 95 -4.766 -9.855 -13.257 742 2HB TRP 95 1HB TRP 95 -4.256 -10.969 -11.988 743 HD1 TRP 95 HD1 TRP 95 -6.177 -7.761 -12.576 744 HE1 TRP 95 HE1 TRP 95 -7.353 -7.062 -10.391 745 HE3 TRP 95 HE3 TRP 95 -4.059 -11.091 -9.332 746 HZ2 TRP 95 HZ2 TRP 95 -7.391 -7.817 -7.629 747 HZ3 TRP 95 HZ3 TRP 95 -4.682 -11.079 -6.931 748 HH2 TRP 95 HH2 TRP 95 -6.344 -9.447 -6.078 749 H ASN 96 H ASN 96 -0.489 -8.948 -12.874 750 HA ASN 96 HA ASN 96 -0.067 -11.857 -13.434 751 1HB ASN 96 2HB ASN 96 1.540 -9.773 -14.866 752 2HB ASN 96 1HB ASN 96 1.087 -11.394 -15.393 753 1HD2 ASN 96 1HD2 ASN 96 -0.389 -11.288 -17.083 754 2HD2 ASN 96 2HD2 ASN 96 -1.626 -10.135 -17.233 755 HA PRO 97 HA PRO 97 3.406 -11.600 -10.770 756 1HB PRO 97 2HB PRO 97 5.059 -13.460 -11.939 757 2HB PRO 97 1HB PRO 97 3.611 -13.884 -11.011 758 1HG PRO 97 2HG PRO 97 4.029 -13.940 -13.963 759 2HG PRO 97 1HG PRO 97 2.918 -14.896 -12.969 760 1HD PRO 97 2HD PRO 97 2.221 -12.643 -14.536 761 2HD PRO 97 1HD PRO 97 1.208 -13.403 -13.289 762 H HIS 98 H HIS 98 4.298 -11.597 -14.235 763 HA HIS 98 HA HIS 98 6.847 -10.282 -13.757 764 1HB HIS 98 2HB HIS 98 5.724 -11.664 -15.873 765 2HB HIS 98 1HB HIS 98 5.717 -9.999 -16.450 766 HD1 HIS 98 HD1 HIS 98 7.727 -12.578 -17.125 767 HD2 HIS 98 HD2 HIS 98 8.601 -9.037 -15.105 768 HE1 HIS 98 HE1 HIS 98 10.232 -12.252 -17.302 769 H CYS 99 H CYS 99 3.568 -9.220 -14.349 770 HA CYS 99 HA CYS 99 4.122 -6.578 -15.273 771 1HB CYS 99 2HB CYS 99 1.804 -7.836 -13.819 772 2HB CYS 99 1HB CYS 99 1.829 -6.100 -14.131 773 HG CYS 99 HG CYS 99 2.423 -7.648 -16.668 774 H ILE 100 H ILE 100 3.102 -7.499 -11.961 775 HA ILE 100 HA ILE 100 3.616 -5.115 -10.653 776 HB ILE 100 HB ILE 100 4.161 -7.936 -9.693 777 1HG1 ILE 100 2HG1 ILE 100 1.865 -6.012 -9.192 778 2HG1 ILE 100 1HG1 ILE 100 1.815 -7.378 -10.308 779 1HG2 ILE 100 1HG2 ILE 100 5.454 -6.414 -8.314 780 2HG2 ILE 100 2HG2 ILE 100 4.021 -6.899 -7.406 781 3HG2 ILE 100 3HG2 ILE 100 4.084 -5.313 -8.175 782 1HD1 ILE 100 1HD1 ILE 100 0.896 -8.345 -8.403 783 2HD1 ILE 100 2HD1 ILE 100 1.895 -7.384 -7.311 784 3HD1 ILE 100 3HD1 ILE 100 2.601 -8.742 -8.186 785 H ARG 101 H ARG 101 5.969 -7.323 -11.990 786 HA ARG 101 HA ARG 101 8.231 -6.267 -10.508 787 1HB ARG 101 2HB ARG 101 7.758 -8.318 -12.487 788 2HB ARG 101 1HB ARG 101 9.152 -7.342 -12.952 789 1HG ARG 101 2HG ARG 101 8.838 -8.355 -10.128 790 2HG ARG 101 1HG ARG 101 9.566 -9.362 -11.380 791 1HD ARG 101 2HD ARG 101 10.551 -6.555 -11.113 792 2HD ARG 101 1HD ARG 101 11.050 -7.720 -9.886 793 HE ARG 101 HE ARG 101 11.537 -8.144 -12.810 794 1HH1 ARG 101 1HH2 ARG 101 11.877 -9.996 -10.193 795 2HH1 ARG 101 2HH2 ARG 101 13.607 -10.050 -10.159 796 1HH2 ARG 101 2HH1 ARG 101 14.001 -7.494 -12.468 797 2HH2 ARG 101 1HH1 ARG 101 14.809 -8.634 -11.446 798 H ASP 102 H ASP 102 6.971 -5.737 -13.811 799 HA ASP 102 HA ASP 102 8.959 -3.796 -14.534 800 1HB ASP 102 2HB ASP 102 6.125 -4.144 -15.563 801 2HB ASP 102 1HB ASP 102 7.382 -3.180 -16.342 802 H ALA 103 H ALA 103 6.215 -3.627 -12.463 803 HA ALA 103 HA ALA 103 5.662 -0.804 -12.763 804 1HB ALA 103 1HB ALA 103 4.872 -2.980 -10.909 805 2HB ALA 103 2HB ALA 103 3.880 -1.742 -11.679 806 3HB ALA 103 3HB ALA 103 4.819 -1.349 -10.239 807 H LEU 104 H LEU 104 7.293 -2.586 -10.106 808 HA LEU 104 HA LEU 104 8.321 -0.235 -8.847 809 1HB LEU 104 2HB LEU 104 9.147 -3.141 -8.782 810 2HB LEU 104 1HB LEU 104 10.017 -1.912 -7.864 811 HG LEU 104 HG LEU 104 7.108 -1.721 -7.557 812 1HD1 LEU 104 1HD1 LEU 104 8.553 -4.291 -7.005 813 2HD1 LEU 104 2HD1 LEU 104 6.905 -4.038 -7.582 814 3HD1 LEU 104 3HD1 LEU 104 7.298 -3.761 -5.884 815 1HD2 LEU 104 1HD2 LEU 104 9.580 -1.751 -5.842 816 2HD2 LEU 104 2HD2 LEU 104 7.991 -1.914 -5.090 817 3HD2 LEU 104 3HD2 LEU 104 8.377 -0.475 -6.034 818 H GLU 105 H GLU 105 9.646 -2.347 -11.370 819 HA GLU 105 HA GLU 105 12.288 -1.411 -11.477 820 1HB GLU 105 2HB GLU 105 10.364 -2.381 -13.575 821 2HB GLU 105 1HB GLU 105 11.943 -1.761 -14.060 822 1HG GLU 105 2HG GLU 105 12.962 -3.352 -12.357 823 2HG GLU 105 1HG GLU 105 11.364 -4.082 -12.206 824 H ASP 106 H ASP 106 9.413 -0.018 -13.084 825 HA ASP 106 HA ASP 106 10.820 2.200 -14.240 826 1HB ASP 106 2HB ASP 106 7.937 1.589 -13.652 827 2HB ASP 106 1HB ASP 106 8.395 3.214 -14.166 828 H ALA 107 H ALA 107 9.362 1.655 -11.082 829 HA ALA 107 HA ALA 107 9.238 4.334 -10.164 830 1HB ALA 107 1HB ALA 107 10.057 1.980 -8.448 831 2HB ALA 107 2HB ALA 107 8.394 2.232 -8.979 832 3HB ALA 107 3HB ALA 107 9.182 3.428 -7.951 833 H LEU 108 H LEU 108 11.859 1.984 -9.468 834 HA LEU 108 HA LEU 108 13.692 4.313 -9.133 835 1HB LEU 108 2HB LEU 108 13.292 2.019 -7.575 836 2HB LEU 108 1HB LEU 108 14.811 1.722 -8.421 837 HG LEU 108 HG LEU 108 15.381 4.180 -7.731 838 1HD1 LEU 108 1HD1 LEU 108 12.813 3.863 -6.564 839 2HD1 LEU 108 2HD1 LEU 108 13.913 5.230 -6.388 840 3HD1 LEU 108 3HD1 LEU 108 13.973 3.896 -5.237 841 1HD2 LEU 108 1HD2 LEU 108 16.757 3.185 -6.229 842 2HD2 LEU 108 2HD2 LEU 108 15.956 1.679 -6.677 843 3HD2 LEU 108 3HD2 LEU 108 15.405 2.586 -5.268 844 H ASP 109 H ASP 109 12.908 3.342 -11.765 845 HA ASP 109 HA ASP 109 14.620 1.559 -13.034 846 1HB ASP 109 2HB ASP 109 12.789 3.399 -13.899 847 2HB ASP 109 1HB ASP 109 14.292 4.108 -14.492 848 H VAL 110 H VAL 110 16.789 1.494 -13.438 849 HA VAL 110 HA VAL 110 18.380 3.909 -12.689 850 HB VAL 110 HB VAL 110 18.836 1.820 -11.404 851 1HG1 VAL 110 1HG1 VAL 110 19.391 0.803 -14.189 852 2HG1 VAL 110 2HG1 VAL 110 18.402 0.069 -12.926 853 3HG1 VAL 110 3HG1 VAL 110 20.160 0.066 -12.783 854 1HG2 VAL 110 1HG2 VAL 110 21.280 2.136 -13.060 855 2HG2 VAL 110 2HG2 VAL 110 21.077 2.291 -11.316 856 3HG2 VAL 110 3HG2 VAL 110 20.618 3.621 -12.378 857 H ILE 111 HN ILE 111 17.326 2.098 -15.347 858 HA ILE 111 HA ILE 111 17.913 2.165 -17.620 859 HB ILE 111 HB ILE 111 19.368 4.639 -16.644 860 1HG1 ILE 111 2HG1 ILE 111 17.122 5.037 -18.424 861 2HG1 ILE 111 1HG1 ILE 111 16.633 4.056 -17.043 862 1HG2 ILE 111 1HG2 ILE 111 18.873 4.965 -19.340 863 2HG2 ILE 111 2HG2 ILE 111 19.352 3.270 -19.244 864 3HG2 ILE 111 3HG2 ILE 111 20.434 4.526 -18.643 865 1HD1 ILE 111 1HD1 ILE 111 18.341 6.194 -16.141 866 2HD1 ILE 111 2HD1 ILE 111 16.667 5.859 -15.698 867 3HD1 ILE 111 3HD1 ILE 111 17.024 6.860 -17.105 Start of MODEL 16 1 1H VAL 1 1H VAL 1 22.520 -10.353 -3.051 2 2H VAL 1 2H VAL 1 22.938 -9.119 -1.960 3 3H VAL 1 3H VAL 1 23.769 -9.271 -3.433 4 HA VAL 1 HA VAL 1 22.297 -7.478 -3.728 5 HB VAL 1 HB VAL 1 22.370 -9.090 -5.603 6 1HG1 VAL 1 1HG1 VAL 1 20.036 -10.503 -5.529 7 2HG1 VAL 1 2HG1 VAL 1 20.481 -10.509 -3.824 8 3HG1 VAL 1 3HG1 VAL 1 21.595 -11.156 -5.028 9 1HG2 VAL 1 1HG2 VAL 1 19.729 -8.652 -6.177 10 2HG2 VAL 1 2HG2 VAL 1 20.995 -7.439 -6.369 11 3HG2 VAL 1 3HG2 VAL 1 20.005 -7.457 -4.909 12 H THR 2 H THR 2 21.641 -7.675 -1.194 13 HA THR 2 HA THR 2 18.715 -8.283 -1.096 14 HB THR 2 HB THR 2 18.941 -8.688 1.233 15 HG1 THR 2 HG1 THR 2 21.622 -7.963 1.329 16 1HG2 THR 2 1HG2 THR 2 19.930 -10.657 0.801 17 2HG2 THR 2 2HG2 THR 2 21.505 -9.876 0.942 18 3HG2 THR 2 3HG2 THR 2 20.705 -9.972 -0.627 19 H ALA 3 H ALA 3 17.530 -6.454 -1.336 20 HA ALA 3 HA ALA 3 18.400 -4.027 0.162 21 1HB ALA 3 1HB ALA 3 17.062 -3.405 -2.363 22 2HB ALA 3 2HB ALA 3 18.590 -4.254 -2.603 23 3HB ALA 3 3HB ALA 3 18.554 -2.743 -1.694 24 H GLU 4 H GLU 4 16.775 -3.935 1.671 25 HA GLU 4 HA GLU 4 14.064 -4.791 1.118 26 1HB GLU 4 2HB GLU 4 14.751 -2.912 3.360 27 2HB GLU 4 1HB GLU 4 13.613 -4.259 3.348 28 1HG GLU 4 2HG GLU 4 15.258 -5.419 4.393 29 2HG GLU 4 1HG GLU 4 16.004 -5.515 2.798 30 H ILE 5 H ILE 5 12.270 -3.520 0.602 31 HA ILE 5 HA ILE 5 12.863 -0.654 -0.028 32 HB ILE 5 HB ILE 5 10.708 -2.251 -1.398 33 1HG1 ILE 5 2HG1 ILE 5 13.613 -2.048 -2.257 34 2HG1 ILE 5 1HG1 ILE 5 12.849 -3.505 -1.624 35 1HG2 ILE 5 1HG2 ILE 5 12.008 -0.443 -3.115 36 2HG2 ILE 5 2HG2 ILE 5 11.871 0.400 -1.571 37 3HG2 ILE 5 3HG2 ILE 5 10.428 -0.233 -2.361 38 1HD1 ILE 5 1HD1 ILE 5 12.823 -3.637 -4.043 39 2HD1 ILE 5 2HD1 ILE 5 12.115 -2.026 -4.165 40 3HD1 ILE 5 3HD1 ILE 5 11.172 -3.356 -3.492 41 H ARG 6 H ARG 6 10.963 0.796 0.158 42 HA ARG 6 HA ARG 6 9.163 -0.112 2.362 43 1HB ARG 6 2HB ARG 6 10.419 2.494 1.638 44 2HB ARG 6 1HB ARG 6 8.801 2.553 2.341 45 1HG ARG 6 2HG ARG 6 9.992 2.525 4.302 46 2HG ARG 6 1HG ARG 6 9.935 0.784 4.028 47 1HD ARG 6 2HD ARG 6 12.128 0.783 3.047 48 2HD ARG 6 1HD ARG 6 12.169 2.546 2.992 49 HE ARG 6 HE ARG 6 11.914 1.312 5.668 50 1HH1 ARG 6 2HH1 ARG 6 13.007 4.046 4.354 51 2HH1 ARG 6 1HH1 ARG 6 14.637 3.960 4.937 52 1HH2 ARG 6 1HH2 ARG 6 14.382 0.652 5.946 53 2HH2 ARG 6 2HH2 ARG 6 15.416 2.039 5.837 54 H LEU 7 H LEU 7 7.019 -0.329 1.903 55 HA LEU 7 HA LEU 7 5.916 1.141 -0.442 56 1HB LEU 7 2HB LEU 7 5.897 -1.827 0.050 57 2HB LEU 7 1HB LEU 7 4.572 -1.074 -0.839 58 HG LEU 7 HG LEU 7 6.835 0.066 -1.977 59 1HD1 LEU 7 1HD1 LEU 7 8.238 -1.598 -0.787 60 2HD1 LEU 7 2HD1 LEU 7 8.290 -1.835 -2.533 61 3HD1 LEU 7 3HD1 LEU 7 7.306 -2.898 -1.528 62 1HD2 LEU 7 1HD2 LEU 7 5.276 -2.385 -2.862 63 2HD2 LEU 7 2HD2 LEU 7 6.248 -1.355 -3.914 64 3HD2 LEU 7 3HD2 LEU 7 4.800 -0.709 -3.142 65 H TYR 8 H TYR 8 3.452 1.055 -0.400 66 HA TYR 8 HA TYR 8 2.273 0.513 2.250 67 1HB TYR 8 2HB TYR 8 3.038 2.777 2.591 68 2HB TYR 8 1HB TYR 8 2.406 3.281 1.023 69 HD1 TYR 8 HD1 TYR 8 0.899 1.156 3.719 70 HD2 TYR 8 HD2 TYR 8 0.647 4.780 1.423 71 HE1 TYR 8 HE1 TYR 8 -1.293 1.665 4.763 72 HE2 TYR 8 HE2 TYR 8 -1.545 5.290 2.468 73 HH TYR 8 HH TYR 8 -2.999 4.707 4.065 74 H ILE 9 H ILE 9 0.480 -0.625 1.703 75 HA ILE 9 HA ILE 9 -0.964 0.145 -0.797 76 HB ILE 9 HB ILE 9 -1.222 -2.445 0.754 77 1HG1 ILE 9 2HG1 ILE 9 0.422 -1.969 -1.747 78 2HG1 ILE 9 1HG1 ILE 9 1.122 -1.969 -0.127 79 1HG2 ILE 9 1HG2 ILE 9 -2.813 -2.928 -0.763 80 2HG2 ILE 9 2HG2 ILE 9 -1.701 -2.574 -2.085 81 3HG2 ILE 9 3HG2 ILE 9 -2.676 -1.282 -1.383 82 1HD1 ILE 9 1HD1 ILE 9 1.301 -4.193 -1.244 83 2HD1 ILE 9 2HD1 ILE 9 -0.459 -4.267 -1.316 84 3HD1 ILE 9 3HD1 ILE 9 0.360 -4.257 0.246 85 H THR 10 H THR 10 -3.153 0.660 -0.674 86 HA THR 10 HA THR 10 -4.228 1.812 1.629 87 HB THR 10 HB THR 10 -6.099 0.365 -0.206 88 HG1 THR 10 HG1 THR 10 -4.233 2.349 -0.908 89 1HG2 THR 10 1HG2 THR 10 -6.000 3.248 0.706 90 2HG2 THR 10 2HG2 THR 10 -6.805 1.971 1.617 91 3HG2 THR 10 3HG2 THR 10 -7.373 2.394 0.002 92 H GLU 11 H GLU 11 -4.898 0.967 3.544 93 HA GLU 11 HA GLU 11 -4.813 -1.848 4.077 94 1HB GLU 11 2HB GLU 11 -4.666 0.206 5.704 95 2HB GLU 11 1HB GLU 11 -6.422 0.053 5.762 96 1HG GLU 11 2HG GLU 11 -5.598 -1.288 7.559 97 2HG GLU 11 1HG GLU 11 -6.051 -2.421 6.285 98 H GLY 12 H GLY 12 -6.334 -3.378 3.680 99 1HA GLY 12 2HA GLY 12 -9.195 -2.645 3.661 100 2HA GLY 12 1HA GLY 12 -8.546 -3.270 2.145 101 H GLU 13 H GLU 13 -10.552 -4.693 3.416 102 HA GLU 13 HA GLU 13 -9.047 -7.084 4.394 103 1HB GLU 13 2HB GLU 13 -10.868 -5.548 5.887 104 2HB GLU 13 1HB GLU 13 -11.768 -6.984 5.397 105 1HG GLU 13 2HG GLU 13 -10.038 -8.436 6.308 106 2HG GLU 13 1HG GLU 13 -9.028 -7.043 6.694 107 H VAL 14 H VAL 14 -9.521 -6.941 1.746 108 HA VAL 14 HA VAL 14 -12.008 -8.548 1.318 109 HB VAL 14 HB VAL 14 -11.704 -7.870 -1.107 110 1HG1 VAL 14 1HG1 VAL 14 -12.892 -5.884 -0.794 111 2HG1 VAL 14 2HG1 VAL 14 -11.914 -5.401 0.593 112 3HG1 VAL 14 3HG1 VAL 14 -13.119 -6.677 0.765 113 1HG2 VAL 14 1HG2 VAL 14 -9.203 -7.197 -0.438 114 2HG2 VAL 14 2HG2 VAL 14 -9.966 -5.634 -0.150 115 3HG2 VAL 14 3HG2 VAL 14 -10.057 -6.380 -1.746 116 H GLU 15 H GLU 15 -11.812 -10.543 0.258 117 HA GLU 15 HA GLU 15 -9.432 -12.024 0.559 118 1HB GLU 15 2HB GLU 15 -11.561 -13.142 0.207 119 2HB GLU 15 1HB GLU 15 -11.715 -12.426 -1.397 120 1HG GLU 15 2HG GLU 15 -9.559 -13.588 -2.025 121 2HG GLU 15 1HG GLU 15 -9.649 -14.444 -0.485 122 H ASP 16 H ASP 16 -10.387 -9.821 -1.969 123 HA ASP 16 HA ASP 16 -8.518 -10.755 -3.966 124 1HB ASP 16 2HB ASP 16 -9.606 -7.945 -3.669 125 2HB ASP 16 1HB ASP 16 -9.039 -8.726 -5.146 126 H TYR 17 H TYR 17 -8.417 -7.715 -2.065 127 HA TYR 17 HA TYR 17 -5.745 -7.052 -2.571 128 1HB TYR 17 2HB TYR 17 -7.100 -5.473 -1.392 129 2HB TYR 17 1HB TYR 17 -7.450 -6.629 -0.107 130 HD1 TYR 17 HD1 TYR 17 -4.176 -5.899 -1.749 131 HD2 TYR 17 HD2 TYR 17 -6.543 -5.618 1.828 132 HE1 TYR 17 HE1 TYR 17 -2.185 -5.117 -0.493 133 HE2 TYR 17 HE2 TYR 17 -4.550 -4.835 3.083 134 HH TYR 17 HH TYR 17 -1.838 -5.206 2.643 135 H ARG 18 H ARG 18 -7.034 -9.518 -0.443 136 HA ARG 18 HA ARG 18 -4.604 -9.958 1.059 137 1HB ARG 18 2HB ARG 18 -7.254 -11.144 0.862 138 2HB ARG 18 1HB ARG 18 -6.007 -12.385 0.981 139 1HG ARG 18 2HG ARG 18 -5.168 -10.523 2.838 140 2HG ARG 18 1HG ARG 18 -6.924 -10.462 3.000 141 1HD ARG 18 2HD ARG 18 -6.917 -12.979 3.152 142 2HD ARG 18 1HD ARG 18 -5.156 -12.913 3.213 143 HE ARG 18 HE ARG 18 -5.411 -11.587 5.333 144 1HH1 ARG 18 1HH2 ARG 18 -8.454 -11.270 4.788 145 2HH1 ARG 18 2HH2 ARG 18 -9.091 -12.341 5.992 146 1HH2 ARG 18 2HH1 ARG 18 -6.050 -13.898 6.594 147 2HH2 ARG 18 1HH1 ARG 18 -7.729 -13.829 7.015 148 H VAL 19 H VAL 19 -6.062 -11.615 -1.751 149 HA VAL 19 HA VAL 19 -3.970 -13.514 -2.115 150 HB VAL 19 HB VAL 19 -5.894 -12.265 -4.095 151 1HG1 VAL 19 1HG1 VAL 19 -5.082 -14.761 -5.049 152 2HG1 VAL 19 2HG1 VAL 19 -3.587 -14.002 -4.504 153 3HG1 VAL 19 3HG1 VAL 19 -4.602 -13.193 -5.698 154 1HG2 VAL 19 1HG2 VAL 19 -6.923 -14.592 -3.859 155 2HG2 VAL 19 2HG2 VAL 19 -7.059 -13.551 -2.442 156 3HG2 VAL 19 3HG2 VAL 19 -5.844 -14.829 -2.485 157 H PHE 20 H PHE 20 -4.253 -10.139 -3.043 158 HA PHE 20 HA PHE 20 -2.052 -10.162 -4.923 159 1HB PHE 20 2HB PHE 20 -3.612 -8.343 -5.069 160 2HB PHE 20 1HB PHE 20 -3.401 -7.944 -3.363 161 HD1 PHE 20 HD1 PHE 20 -1.629 -8.078 -6.643 162 HD2 PHE 20 HD2 PHE 20 -1.662 -6.501 -2.646 163 HE1 PHE 20 HE1 PHE 20 0.246 -6.561 -7.226 164 HE2 PHE 20 HE2 PHE 20 0.215 -4.984 -3.228 165 HZ PHE 20 HZ PHE 20 1.168 -5.013 -5.519 166 H LEU 21 H LEU 21 -2.335 -9.269 -1.476 167 HA LEU 21 HA LEU 21 0.351 -8.471 -1.071 168 1HB LEU 21 2HB LEU 21 -1.865 -8.727 0.532 169 2HB LEU 21 1HB LEU 21 -0.831 -10.019 1.143 170 HG LEU 21 HG LEU 21 -0.311 -7.996 2.371 171 1HD1 LEU 21 1HD1 LEU 21 1.582 -9.471 1.685 172 2HD1 LEU 21 2HD1 LEU 21 2.070 -7.787 1.870 173 3HD1 LEU 21 3HD1 LEU 21 1.817 -8.460 0.260 174 1HD2 LEU 21 1HD2 LEU 21 -1.167 -6.581 0.312 175 2HD2 LEU 21 2HD2 LEU 21 0.534 -6.605 -0.153 176 3HD2 LEU 21 3HD2 LEU 21 0.052 -5.908 1.394 177 H GLU 22 H GLU 22 -1.123 -11.712 -0.785 178 HA GLU 22 HA GLU 22 1.315 -13.040 -0.051 179 1HB GLU 22 2HB GLU 22 -1.361 -13.888 -1.084 180 2HB GLU 22 1HB GLU 22 -0.035 -15.048 -1.175 181 1HG GLU 22 2HG GLU 22 -0.647 -15.539 0.967 182 2HG GLU 22 1HG GLU 22 0.299 -14.103 1.359 183 H ARG 23 H ARG 23 -0.187 -12.296 -3.173 184 HA ARG 23 HA ARG 23 1.589 -13.860 -4.789 185 1HB ARG 23 2HB ARG 23 -0.322 -11.630 -5.224 186 2HB ARG 23 1HB ARG 23 0.946 -11.804 -6.437 187 1HG ARG 23 2HG ARG 23 -0.123 -14.398 -5.748 188 2HG ARG 23 1HG ARG 23 -1.428 -13.315 -6.233 189 1HD ARG 23 2HD ARG 23 -0.835 -13.670 -8.376 190 2HD ARG 23 1HD ARG 23 0.672 -12.818 -8.042 191 HE ARG 23 HE ARG 23 1.245 -15.336 -7.152 192 1HH1 ARG 23 1HH2 ARG 23 0.125 -13.910 -10.077 193 2HH1 ARG 23 2HH2 ARG 23 0.549 -15.270 -11.061 194 1HH2 ARG 23 2HH1 ARG 23 1.659 -17.192 -8.397 195 2HH2 ARG 23 1HH1 ARG 23 1.417 -17.127 -10.111 196 H LEU 24 H LEU 24 1.869 -10.687 -3.310 197 HA LEU 24 HA LEU 24 4.222 -9.905 -4.833 198 1HB LEU 24 2HB LEU 24 2.506 -8.427 -3.493 199 2HB LEU 24 1HB LEU 24 3.560 -8.781 -2.125 200 HG LEU 24 HG LEU 24 5.164 -8.078 -4.412 201 1HD1 LEU 24 1HD1 LEU 24 4.252 -5.560 -4.136 202 2HD1 LEU 24 2HD1 LEU 24 2.738 -6.432 -3.897 203 3HD1 LEU 24 3HD1 LEU 24 3.654 -6.648 -5.388 204 1HD2 LEU 24 1HD2 LEU 24 4.634 -6.890 -1.678 205 2HD2 LEU 24 2HD2 LEU 24 5.840 -6.230 -2.784 206 3HD2 LEU 24 3HD2 LEU 24 6.008 -7.877 -2.176 207 H GLU 25 H GLU 25 3.696 -11.089 -1.495 208 HA GLU 25 HA GLU 25 6.505 -11.222 -0.867 209 1HB GLU 25 2HB GLU 25 4.692 -11.171 0.849 210 2HB GLU 25 1HB GLU 25 4.221 -12.798 0.357 211 1HG GLU 25 2HG GLU 25 6.447 -13.646 0.951 212 2HG GLU 25 1HG GLU 25 6.959 -12.020 1.401 213 H GLN 26 H GLN 26 4.425 -13.227 -2.735 214 HA GLN 26 HA GLN 26 5.834 -15.724 -2.371 215 1HB GLN 26 2HB GLN 26 3.535 -15.619 -3.279 216 2HB GLN 26 1HB GLN 26 4.142 -14.772 -4.703 217 1HG GLN 26 2HG GLN 26 4.809 -16.700 -5.662 218 2HG GLN 26 1HG GLN 26 5.663 -17.198 -4.200 219 1HE2 GLN 26 1HE2 GLN 26 4.769 -18.958 -3.110 220 2HE2 GLN 26 2HE2 GLN 26 3.176 -19.511 -3.300 221 H SER 27 H SER 27 5.904 -13.293 -5.003 222 HA SER 27 HA SER 27 7.876 -14.416 -6.618 223 1HB SER 27 2HB SER 27 6.963 -12.416 -7.437 224 2HB SER 27 1HB SER 27 7.220 -11.563 -5.917 225 HG SER 27 HG SER 27 8.769 -11.532 -8.004 226 H GLY 28 H GLY 28 8.298 -12.692 -3.554 227 1HA GLY 28 2HA GLY 28 10.278 -13.617 -2.232 228 2HA GLY 28 1HA GLY 28 11.216 -13.336 -3.699 229 H LEU 29 H LEU 29 12.595 -11.863 -2.497 230 HA LEU 29 HA LEU 29 13.257 -9.660 -2.001 231 1HB LEU 29 2HB LEU 29 11.071 -9.362 -3.759 232 2HB LEU 29 1HB LEU 29 10.747 -8.277 -2.406 233 HG LEU 29 HG LEU 29 13.511 -8.035 -3.002 234 1HD1 LEU 29 1HD1 LEU 29 12.741 -9.058 -5.226 235 2HD1 LEU 29 2HD1 LEU 29 13.584 -7.514 -5.326 236 3HD1 LEU 29 3HD1 LEU 29 11.828 -7.570 -5.471 237 1HD2 LEU 29 1HD2 LEU 29 12.866 -5.714 -3.501 238 2HD2 LEU 29 2HD2 LEU 29 11.990 -6.297 -2.087 239 3HD2 LEU 29 3HD2 LEU 29 11.178 -6.202 -3.649 240 H GLU 30 H GLU 30 12.721 -7.917 -0.351 241 HA GLU 30 HA GLU 30 10.725 -8.838 1.661 242 1HB GLU 30 2HB GLU 30 13.671 -8.344 2.096 243 2HB GLU 30 1HB GLU 30 12.514 -8.192 3.419 244 1HG GLU 30 2HG GLU 30 12.265 -10.646 1.773 245 2HG GLU 30 1HG GLU 30 13.720 -10.533 2.763 246 H TRP 31 H TRP 31 9.356 -7.080 1.428 247 HA TRP 31 HA TRP 31 10.587 -4.374 1.786 248 1HB TRP 31 2HB TRP 31 8.667 -3.466 0.579 249 2HB TRP 31 1HB TRP 31 9.426 -4.722 -0.399 250 HD1 TRP 31 HD1 TRP 31 8.168 -7.070 -0.594 251 HE1 TRP 31 HE1 TRP 31 5.694 -7.714 -0.258 252 HE3 TRP 31 HE3 TRP 31 6.519 -2.947 1.931 253 HZ2 TRP 31 HZ2 TRP 31 3.329 -6.623 0.925 254 HZ3 TRP 31 HZ3 TRP 31 4.153 -2.775 2.650 255 HH2 TRP 31 HH2 TRP 31 2.557 -4.607 2.150 256 H ARG 32 H ARG 32 9.307 -2.862 3.110 257 HA ARG 32 HA ARG 32 7.485 -4.273 5.019 258 1HB ARG 32 2HB ARG 32 9.594 -2.174 5.608 259 2HB ARG 32 1HB ARG 32 8.391 -2.722 6.777 260 1HG ARG 32 2HG ARG 32 9.289 -4.894 6.874 261 2HG ARG 32 1HG ARG 32 10.146 -4.705 5.344 262 1HD ARG 32 2HD ARG 32 11.941 -4.330 6.706 263 2HD ARG 32 1HD ARG 32 11.280 -2.697 6.777 264 HE ARG 32 HE ARG 32 10.614 -4.758 8.840 265 1HH1 ARG 32 1HH2 ARG 32 13.022 -2.873 9.145 266 2HH1 ARG 32 2HH2 ARG 32 12.338 -1.639 10.149 267 1HH2 ARG 32 2HH1 ARG 32 9.061 -2.612 9.569 268 2HH2 ARG 32 1HH1 ARG 32 10.097 -1.490 10.388 269 HA PRO 33 HA PRO 33 4.645 -1.048 4.126 270 1HB PRO 33 2HB PRO 33 3.124 -1.196 6.411 271 2HB PRO 33 1HB PRO 33 3.034 -2.379 5.094 272 1HG PRO 33 2HG PRO 33 4.303 -2.654 7.780 273 2HG PRO 33 1HG PRO 33 3.636 -3.906 6.721 274 1HD PRO 33 2HD PRO 33 6.382 -3.310 7.050 275 2HD PRO 33 1HD PRO 33 5.678 -4.309 5.758 276 H ALA 34 H ALA 34 4.966 1.136 4.290 277 HA ALA 34 HA ALA 34 5.905 2.219 6.917 278 1HB ALA 34 1HB ALA 34 6.748 2.799 4.101 279 2HB ALA 34 2HB ALA 34 7.735 2.642 5.554 280 3HB ALA 34 3HB ALA 34 6.796 4.109 5.282 281 H THR 35 H THR 35 5.070 4.326 7.486 282 HA THR 35 HA THR 35 2.321 4.725 7.011 283 HB THR 35 HB THR 35 3.342 7.285 7.509 284 HG1 THR 35 HG1 THR 35 5.407 6.280 7.699 285 1HG2 THR 35 1HG2 THR 35 2.465 6.935 9.700 286 2HG2 THR 35 2HG2 THR 35 2.737 5.195 9.607 287 3HG2 THR 35 3HG2 THR 35 1.478 5.945 8.625 288 HA PRO 36 HA PRO 36 2.016 6.853 3.187 289 1HB PRO 36 2HB PRO 36 0.266 8.898 3.758 290 2HB PRO 36 1HB PRO 36 -0.222 7.200 3.615 291 1HG PRO 36 2HG PRO 36 0.098 8.860 6.073 292 2HG PRO 36 1HG PRO 36 -0.948 7.458 5.795 293 1HD PRO 36 2HD PRO 36 1.504 7.433 7.199 294 2HD PRO 36 1HD PRO 36 0.631 6.005 6.607 295 H GLU 37 H GLU 37 3.603 8.292 5.738 296 HA GLU 37 HA GLU 37 4.192 10.796 4.227 297 1HB GLU 37 2HB GLU 37 4.047 10.091 7.070 298 2HB GLU 37 1HB GLU 37 5.516 10.973 6.655 299 1HG GLU 37 2HG GLU 37 3.721 12.437 5.267 300 2HG GLU 37 1HG GLU 37 2.683 11.872 6.578 301 H ASP 38 H ASP 38 5.393 7.703 4.707 302 HA ASP 38 HA ASP 38 8.055 8.546 3.711 303 1HB ASP 38 2HB ASP 38 7.541 7.574 6.387 304 2HB ASP 38 1HB ASP 38 8.571 6.437 5.516 305 H ALA 39 H ALA 39 5.672 7.174 2.577 306 HA ALA 39 HA ALA 39 6.579 4.383 2.245 307 1HB ALA 39 1HB ALA 39 4.094 5.862 1.848 308 2HB ALA 39 2HB ALA 39 4.339 4.132 2.087 309 3HB ALA 39 3HB ALA 39 4.475 4.827 0.472 310 H ASP 40 H ASP 40 8.437 4.423 0.973 311 HA ASP 40 HA ASP 40 9.043 6.138 -1.158 312 1HB ASP 40 2HB ASP 40 9.727 3.230 -0.691 313 2HB ASP 40 1HB ASP 40 10.357 4.128 -2.072 314 H ALA 41 H ALA 41 7.230 3.067 -1.256 315 HA ALA 41 HA ALA 41 6.292 3.844 -3.988 316 1HB ALA 41 1HB ALA 41 7.515 1.459 -3.123 317 2HB ALA 41 2HB ALA 41 6.719 1.738 -4.672 318 3HB ALA 41 3HB ALA 41 5.807 1.065 -3.321 319 H VAL 42 H VAL 42 4.180 4.438 -4.027 320 HA VAL 42 HA VAL 42 2.421 3.486 -1.809 321 HB VAL 42 HB VAL 42 1.803 5.778 -3.675 322 1HG1 VAL 42 1HG1 VAL 42 1.050 5.335 -0.778 323 2HG1 VAL 42 2HG1 VAL 42 0.075 4.727 -2.115 324 3HG1 VAL 42 3HG1 VAL 42 0.325 6.462 -1.923 325 1HG2 VAL 42 1HG2 VAL 42 3.925 5.603 -1.696 326 2HG2 VAL 42 2HG2 VAL 42 2.741 6.828 -1.242 327 3HG2 VAL 42 3HG2 VAL 42 3.548 6.919 -2.807 328 H ILE 43 H ILE 43 1.268 1.730 -2.476 329 HA ILE 43 HA ILE 43 0.350 1.636 -5.310 330 HB ILE 43 HB ILE 43 0.230 -0.601 -3.275 331 1HG1 ILE 43 2HG1 ILE 43 2.376 -0.483 -5.350 332 2HG1 ILE 43 1HG1 ILE 43 2.574 0.529 -3.920 333 1HG2 ILE 43 1HG2 ILE 43 -0.427 -0.244 -6.114 334 2HG2 ILE 43 2HG2 ILE 43 -0.934 -1.510 -4.995 335 3HG2 ILE 43 3HG2 ILE 43 0.623 -1.630 -5.814 336 1HD1 ILE 43 1HD1 ILE 43 3.184 -2.192 -4.114 337 2HD1 ILE 43 2HD1 ILE 43 1.667 -2.146 -3.215 338 3HD1 ILE 43 3HD1 ILE 43 3.068 -1.251 -2.627 339 H VAL 44 H VAL 44 -1.746 2.146 -5.697 340 HA VAL 44 HA VAL 44 -3.667 1.964 -3.410 341 HB VAL 44 HB VAL 44 -4.117 3.652 -5.863 342 1HG1 VAL 44 1HG1 VAL 44 -5.341 5.024 -4.120 343 2HG1 VAL 44 2HG1 VAL 44 -5.012 3.729 -2.968 344 3HG1 VAL 44 3HG1 VAL 44 -6.010 3.414 -4.388 345 1HG2 VAL 44 1HG2 VAL 44 -3.161 5.493 -4.192 346 2HG2 VAL 44 2HG2 VAL 44 -2.089 4.608 -5.278 347 3HG2 VAL 44 3HG2 VAL 44 -2.228 4.123 -3.589 348 H LEU 45 H LEU 45 -5.130 0.351 -3.632 349 HA LEU 45 HA LEU 45 -5.453 -1.021 -6.196 350 1HB LEU 45 2HB LEU 45 -7.033 -1.421 -3.639 351 2HB LEU 45 1HB LEU 45 -6.865 -2.560 -4.976 352 HG LEU 45 HG LEU 45 -4.588 -1.574 -3.232 353 1HD1 LEU 45 1HD1 LEU 45 -5.626 -3.056 -1.805 354 2HD1 LEU 45 2HD1 LEU 45 -4.702 -4.213 -2.764 355 3HD1 LEU 45 3HD1 LEU 45 -6.408 -3.936 -3.119 356 1HD2 LEU 45 1HD2 LEU 45 -3.795 -3.877 -4.533 357 2HD2 LEU 45 2HD2 LEU 45 -3.379 -2.238 -5.038 358 3HD2 LEU 45 3HD2 LEU 45 -4.759 -3.062 -5.765 359 H ALA 46 H ALA 46 -7.391 -1.074 -7.433 360 HA ALA 46 HA ALA 46 -9.173 1.267 -6.952 361 1HB ALA 46 1HB ALA 46 -9.604 1.307 -9.265 362 2HB ALA 46 2HB ALA 46 -9.126 -0.377 -9.477 363 3HB ALA 46 3HB ALA 46 -7.900 0.859 -9.186 364 H GLY 47 H GLY 47 -9.234 -1.642 -5.824 365 1HA GLY 47 2HA GLY 47 -11.837 -2.578 -6.852 366 2HA GLY 47 1HA GLY 47 -10.852 -3.390 -5.632 367 H LEU 48 H LEU 48 -10.520 -0.883 -4.074 368 HA LEU 48 HA LEU 48 -13.090 -1.046 -2.626 369 1HB LEU 48 2HB LEU 48 -10.609 0.536 -1.899 370 2HB LEU 48 1HB LEU 48 -11.943 0.097 -0.832 371 HG LEU 48 HG LEU 48 -10.924 -2.282 -2.083 372 1HD1 LEU 48 1HD1 LEU 48 -8.855 -0.676 -0.554 373 2HD1 LEU 48 2HD1 LEU 48 -8.844 -0.895 -2.304 374 3HD1 LEU 48 3HD1 LEU 48 -8.645 -2.287 -1.240 375 1HD2 LEU 48 1HD2 LEU 48 -11.546 -2.985 -0.034 376 2HD2 LEU 48 2HD2 LEU 48 -11.804 -1.309 0.453 377 3HD2 LEU 48 3HD2 LEU 48 -10.228 -2.066 0.692 378 H TRP 49 H TRP 49 -12.703 0.410 -5.268 379 HA TRP 49 HA TRP 49 -12.770 3.226 -4.853 380 1HB TRP 49 2HB TRP 49 -12.532 2.073 -7.077 381 2HB TRP 49 1HB TRP 49 -14.248 1.678 -7.001 382 HD1 TRP 49 HD1 TRP 49 -15.991 3.708 -7.106 383 HE1 TRP 49 HE1 TRP 49 -15.770 6.087 -8.074 384 HE3 TRP 49 HE3 TRP 49 -10.909 4.037 -7.478 385 HZ2 TRP 49 HZ2 TRP 49 -13.707 7.893 -8.898 386 HZ3 TRP 49 HZ3 TRP 49 -9.840 6.094 -8.357 387 HH2 TRP 49 HH2 TRP 49 -11.233 8.022 -9.066 388 H GLY 50 H GLY 50 -15.033 0.813 -4.004 389 1HA GLY 50 2HA GLY 50 -17.087 2.937 -3.530 390 2HA GLY 50 1HA GLY 50 -17.541 1.323 -4.078 391 H THR 51 H THR 51 -15.040 2.099 -1.688 392 HA THR 51 HA THR 51 -16.789 1.185 0.510 393 HB THR 51 HB THR 51 -14.930 -0.465 1.197 394 HG1 THR 51 HG1 THR 51 -14.055 -1.233 -1.019 395 1HG2 THR 51 1HG2 THR 51 -16.254 -2.115 0.366 396 2HG2 THR 51 2HG2 THR 51 -16.098 -1.533 -1.292 397 3HG2 THR 51 3HG2 THR 51 -17.262 -0.783 -0.200 398 H ARG 52 H ARG 52 -13.317 1.763 -0.208 399 HA ARG 52 HA ARG 52 -13.280 3.561 2.185 400 1HB ARG 52 2HB ARG 52 -11.697 1.318 1.654 401 2HB ARG 52 1HB ARG 52 -10.657 2.689 1.269 402 1HG ARG 52 2HG ARG 52 -10.353 2.242 3.606 403 2HG ARG 52 1HG ARG 52 -11.347 3.695 3.498 404 1HD ARG 52 2HD ARG 52 -12.375 2.273 5.141 405 2HD ARG 52 1HD ARG 52 -13.381 2.195 3.694 406 HE ARG 52 HE ARG 52 -12.325 -0.010 3.207 407 1HH1 ARG 52 1HH2 ARG 52 -10.064 0.556 5.260 408 2HH1 ARG 52 2HH2 ARG 52 -10.502 -0.561 6.510 409 1HH2 ARG 52 2HH1 ARG 52 -13.699 -1.097 5.276 410 2HH2 ARG 52 1HH1 ARG 52 -12.560 -1.497 6.518 411 H ARG 53 H ARG 53 -14.133 4.633 -0.228 412 HA ARG 53 HA ARG 53 -12.124 5.697 -1.924 413 1HB ARG 53 2HB ARG 53 -14.397 5.929 -2.617 414 2HB ARG 53 1HB ARG 53 -14.849 6.731 -1.113 415 1HG ARG 53 2HG ARG 53 -14.253 8.750 -1.922 416 2HG ARG 53 1HG ARG 53 -12.683 8.141 -2.446 417 1HD ARG 53 2HD ARG 53 -14.051 7.020 -4.375 418 2HD ARG 53 1HD ARG 53 -15.281 8.213 -3.958 419 HE ARG 53 HE ARG 53 -12.614 9.354 -4.347 420 1HH1 ARG 53 1HH2 ARG 53 -15.460 8.181 -5.897 421 2HH1 ARG 53 2HH2 ARG 53 -15.384 9.326 -7.195 422 1HH2 ARG 53 2HH1 ARG 53 -12.566 10.932 -5.973 423 2HH2 ARG 53 1HH1 ARG 53 -13.747 10.881 -7.238 424 H ASP 54 H ASP 54 -13.302 6.770 1.227 425 HA ASP 54 HA ASP 54 -12.029 9.336 1.237 426 1HB ASP 54 2HB ASP 54 -13.618 7.841 3.002 427 2HB ASP 54 1HB ASP 54 -12.098 8.092 3.862 428 H GLU 55 H GLU 55 -10.913 6.109 2.220 429 HA GLU 55 HA GLU 55 -8.414 6.974 3.333 430 1HB GLU 55 2HB GLU 55 -9.729 4.577 3.169 431 2HB GLU 55 1HB GLU 55 -8.427 4.340 2.005 432 1HG GLU 55 2HG GLU 55 -6.758 4.927 3.674 433 2HG GLU 55 1HG GLU 55 -8.018 5.330 4.840 434 H ILE 56 H ILE 56 -9.348 5.943 0.054 435 HA ILE 56 HA ILE 56 -6.667 6.125 -1.012 436 HB ILE 56 HB ILE 56 -9.322 6.291 -2.468 437 1HG1 ILE 56 2HG1 ILE 56 -7.783 3.791 -2.562 438 2HG1 ILE 56 1HG1 ILE 56 -8.354 4.194 -0.941 439 1HG2 ILE 56 1HG2 ILE 56 -6.494 6.270 -3.302 440 2HG2 ILE 56 2HG2 ILE 56 -7.924 6.797 -4.189 441 3HG2 ILE 56 3HG2 ILE 56 -7.502 5.085 -4.130 442 1HD1 ILE 56 1HD1 ILE 56 -10.625 4.265 -1.644 443 2HD1 ILE 56 2HD1 ILE 56 -9.956 2.827 -2.413 444 3HD1 ILE 56 3HD1 ILE 56 -10.177 4.305 -3.349 445 H LEU 57 H LEU 57 -9.184 8.458 -0.406 446 HA LEU 57 HA LEU 57 -8.204 10.460 -2.260 447 1HB LEU 57 2HB LEU 57 -10.529 10.259 -1.026 448 2HB LEU 57 1HB LEU 57 -9.710 11.185 0.232 449 HG LEU 57 HG LEU 57 -8.970 12.739 -1.730 450 1HD1 LEU 57 1HD1 LEU 57 -11.495 12.144 -3.084 451 2HD1 LEU 57 2HD1 LEU 57 -10.341 10.814 -3.192 452 3HD1 LEU 57 3HD1 LEU 57 -9.893 12.420 -3.769 453 1HD2 LEU 57 1HD2 LEU 57 -11.082 14.026 -1.504 454 2HD2 LEU 57 2HD2 LEU 57 -10.529 13.409 0.053 455 3HD2 LEU 57 3HD2 LEU 57 -11.855 12.609 -0.791 456 H GLY 58 H GLY 58 -7.938 10.129 1.301 457 1HA GLY 58 2HA GLY 58 -6.115 12.336 1.578 458 2HA GLY 58 1HA GLY 58 -6.378 11.074 2.782 459 H ALA 59 H ALA 59 -5.686 8.938 0.816 460 HA ALA 59 HA ALA 59 -2.845 8.853 1.351 461 1HB ALA 59 1HB ALA 59 -4.540 7.139 -0.492 462 2HB ALA 59 2HB ALA 59 -4.204 6.803 1.205 463 3HB ALA 59 3HB ALA 59 -2.895 6.767 0.024 464 H VAL 60 H VAL 60 -4.576 8.833 -1.795 465 HA VAL 60 HA VAL 60 -2.310 9.374 -3.392 466 HB VAL 60 HB VAL 60 -5.179 10.245 -3.855 467 1HG1 VAL 60 1HG1 VAL 60 -2.902 9.838 -5.818 468 2HG1 VAL 60 2HG1 VAL 60 -3.503 11.408 -5.286 469 3HG1 VAL 60 3HG1 VAL 60 -4.547 10.334 -6.217 470 1HG2 VAL 60 1HG2 VAL 60 -5.631 8.112 -4.493 471 2HG2 VAL 60 2HG2 VAL 60 -4.186 7.683 -3.577 472 3HG2 VAL 60 3HG2 VAL 60 -4.081 7.941 -5.319 473 H ASP 61 H ASP 61 -4.326 11.540 -1.493 474 HA ASP 61 HA ASP 61 -3.451 14.007 -2.642 475 1HB ASP 61 2HB ASP 61 -5.380 13.707 -1.031 476 2HB ASP 61 1HB ASP 61 -4.190 13.539 0.260 477 H LEU 62 H LEU 62 -2.301 12.346 0.324 478 HA LEU 62 HA LEU 62 -0.098 14.093 0.787 479 1HB LEU 62 2HB LEU 62 -1.168 11.829 2.022 480 2HB LEU 62 1HB LEU 62 0.450 11.324 1.533 481 HG LEU 62 HG LEU 62 -0.284 13.723 3.232 482 1HD1 LEU 62 1HD1 LEU 62 1.795 11.960 4.211 483 2HD1 LEU 62 2HD1 LEU 62 0.331 11.045 3.854 484 3HD1 LEU 62 3HD1 LEU 62 0.270 12.406 4.975 485 1HD2 LEU 62 1HD2 LEU 62 2.420 13.666 3.266 486 2HD2 LEU 62 2HD2 LEU 62 1.501 14.654 2.129 487 3HD2 LEU 62 3HD2 LEU 62 2.137 13.087 1.623 488 H ALA 63 H ALA 63 -0.552 11.477 -1.467 489 HA ALA 63 HA ALA 63 2.218 10.915 -1.997 490 1HB ALA 63 1HB ALA 63 1.038 9.271 -3.033 491 2HB ALA 63 2HB ALA 63 0.939 10.407 -4.380 492 3HB ALA 63 3HB ALA 63 -0.388 10.293 -3.222 493 H ARG 64 H ARG 64 -0.140 13.010 -3.689 494 HA ARG 64 HA ARG 64 1.818 14.070 -5.523 495 1HB ARG 64 2HB ARG 64 -1.010 14.494 -4.904 496 2HB ARG 64 1HB ARG 64 -0.177 15.993 -5.320 497 1HG ARG 64 2HG ARG 64 0.778 14.089 -7.154 498 2HG ARG 64 1HG ARG 64 -0.959 13.803 -7.051 499 1HD ARG 64 2HD ARG 64 -0.095 16.644 -7.209 500 2HD ARG 64 1HD ARG 64 0.105 15.678 -8.671 501 HE ARG 64 HE ARG 64 -2.360 15.166 -8.491 502 1HH1 ARG 64 1HH2 ARG 64 -1.284 18.232 -8.490 503 2HH1 ARG 64 2HH2 ARG 64 -2.618 18.942 -7.645 504 1HH2 ARG 64 2HH1 ARG 64 -3.962 15.900 -6.663 505 2HH2 ARG 64 1HH1 ARG 64 -4.134 17.623 -6.610 506 H LYS 65 H LYS 65 1.399 14.538 -2.215 507 HA LYS 65 HA LYS 65 1.780 17.268 -1.757 508 1HB LYS 65 2HB LYS 65 1.557 15.712 0.097 509 2HB LYS 65 1HB LYS 65 3.072 14.919 -0.339 510 1HG LYS 65 2HG LYS 65 4.339 16.537 0.630 511 2HG LYS 65 1HG LYS 65 3.304 17.834 0.033 512 1HD LYS 65 2HD LYS 65 1.620 17.232 1.784 513 2HD LYS 65 1HD LYS 65 2.763 16.052 2.425 514 1HE LYS 65 2HE LYS 65 2.981 19.056 2.392 515 2HE LYS 65 1HE LYS 65 3.166 17.951 3.753 516 1HZ LYS 65 1HZ LYS 65 5.166 17.062 2.578 517 2HZ LYS 65 2HZ LYS 65 5.318 18.661 3.131 518 3HZ LYS 65 3HZ LYS 65 5.033 18.351 1.485 519 H SER 66 H SER 66 4.094 14.894 -2.954 520 HA SER 66 HA SER 66 5.966 17.149 -3.510 521 1HB SER 66 2HB SER 66 6.735 15.861 -1.497 522 2HB SER 66 1HB SER 66 6.822 14.419 -2.504 523 HG SER 66 HG SER 66 8.276 15.626 -3.860 524 H SER 67 H SER 67 5.968 13.609 -4.056 525 HA SER 67 HA SER 67 5.237 13.618 -6.768 526 1HB SER 67 2HB SER 67 7.695 14.928 -6.439 527 2HB SER 67 1HB SER 67 8.115 13.322 -7.031 528 HG SER 67 HG SER 67 5.961 14.632 -8.225 529 H LYS 68 H LYS 68 4.968 11.866 -4.591 530 HA LYS 68 HA LYS 68 6.866 9.661 -4.884 531 1HB LYS 68 2HB LYS 68 4.224 9.918 -3.418 532 2HB LYS 68 1HB LYS 68 5.209 8.454 -3.398 533 1HG LYS 68 2HG LYS 68 7.034 9.585 -2.339 534 2HG LYS 68 1HG LYS 68 6.298 11.165 -2.611 535 1HD LYS 68 2HD LYS 68 4.366 10.403 -1.157 536 2HD LYS 68 1HD LYS 68 5.334 8.987 -0.743 537 1HE LYS 68 2HE LYS 68 6.513 11.736 -0.450 538 2HE LYS 68 1HE LYS 68 5.445 11.101 0.802 539 1HZ LYS 68 1HZ LYS 68 6.900 9.080 0.806 540 2HZ LYS 68 2HZ LYS 68 7.630 10.496 1.397 541 3HZ LYS 68 3HZ LYS 68 7.993 9.939 -0.166 542 HA PRO 69 HA PRO 69 4.815 7.643 -8.195 543 1HB PRO 69 2HB PRO 69 5.718 5.086 -7.732 544 2HB PRO 69 1HB PRO 69 6.721 6.373 -8.425 545 1HG PRO 69 2HG PRO 69 6.775 5.228 -5.671 546 2HG PRO 69 1HG PRO 69 8.077 5.999 -6.592 547 1HD PRO 69 2HD PRO 69 6.567 7.213 -4.530 548 2HD PRO 69 1HD PRO 69 7.621 8.056 -5.686 549 H ILE 70 H ILE 70 2.629 7.293 -8.145 550 HA ILE 70 HA ILE 70 1.520 5.519 -6.012 551 HB ILE 70 HB ILE 70 -0.151 7.272 -7.803 552 1HG1 ILE 70 2HG1 ILE 70 0.941 8.234 -5.160 553 2HG1 ILE 70 1HG1 ILE 70 1.813 8.543 -6.661 554 1HG2 ILE 70 1HG2 ILE 70 -0.443 5.726 -5.305 555 2HG2 ILE 70 2HG2 ILE 70 -1.656 6.157 -6.510 556 3HG2 ILE 70 3HG2 ILE 70 -1.191 7.323 -5.271 557 1HD1 ILE 70 1HD1 ILE 70 -0.380 9.486 -7.577 558 2HD1 ILE 70 2HD1 ILE 70 0.416 10.448 -6.331 559 3HD1 ILE 70 3HD1 ILE 70 -0.975 9.445 -5.918 560 H ILE 71 H ILE 71 1.723 3.478 -6.961 561 HA ILE 71 HA ILE 71 0.878 3.112 -9.767 562 HB ILE 71 HB ILE 71 1.882 1.095 -7.737 563 1HG1 ILE 71 2HG1 ILE 71 3.518 1.977 -10.060 564 2HG1 ILE 71 1HG1 ILE 71 3.329 3.142 -8.749 565 1HG2 ILE 71 1HG2 ILE 71 0.770 -0.163 -9.376 566 2HG2 ILE 71 2HG2 ILE 71 2.419 -0.099 -10.002 567 3HG2 ILE 71 3HG2 ILE 71 1.181 0.972 -10.662 568 1HD1 ILE 71 1HD1 ILE 71 4.646 0.453 -8.719 569 2HD1 ILE 71 2HD1 ILE 71 3.887 1.037 -7.239 570 3HD1 ILE 71 3HD1 ILE 71 5.180 1.968 -7.993 571 H THR 72 H THR 72 -1.282 2.915 -10.116 572 HA THR 72 HA THR 72 -3.020 1.807 -7.999 573 HB THR 72 HB THR 72 -4.835 2.344 -9.727 574 HG1 THR 72 HG1 THR 72 -3.344 2.347 -11.500 575 1HG2 THR 72 1HG2 THR 72 -2.982 4.479 -8.648 576 2HG2 THR 72 2HG2 THR 72 -4.461 3.865 -7.908 577 3HG2 THR 72 3HG2 THR 72 -4.548 4.839 -9.376 578 H VAL 73 H VAL 73 -4.079 -0.184 -8.178 579 HA VAL 73 HA VAL 73 -3.251 -1.863 -10.512 580 HB VAL 73 HB VAL 73 -3.852 -2.661 -7.650 581 1HG1 VAL 73 1HG1 VAL 73 -3.294 -4.291 -10.138 582 2HG1 VAL 73 2HG1 VAL 73 -4.676 -4.420 -9.049 583 3HG1 VAL 73 3HG1 VAL 73 -3.078 -4.936 -8.510 584 1HG2 VAL 73 1HG2 VAL 73 -1.357 -3.600 -8.345 585 2HG2 VAL 73 2HG2 VAL 73 -1.654 -2.109 -7.452 586 3HG2 VAL 73 3HG2 VAL 73 -1.420 -2.058 -9.199 587 H ARG 74 H ARG 74 -4.874 -2.740 -11.728 588 HA ARG 74 HA ARG 74 -7.543 -1.887 -11.568 589 1HB ARG 74 2HB ARG 74 -8.067 -3.906 -12.981 590 2HB ARG 74 1HB ARG 74 -6.712 -2.950 -13.582 591 1HG ARG 74 2HG ARG 74 -5.142 -4.501 -12.434 592 2HG ARG 74 1HG ARG 74 -6.516 -5.482 -11.925 593 1HD ARG 74 2HD ARG 74 -5.395 -5.083 -14.682 594 2HD ARG 74 1HD ARG 74 -5.864 -6.580 -13.877 595 HE ARG 74 HE ARG 74 -7.752 -4.641 -15.120 596 1HH1 ARG 74 1HH2 ARG 74 -6.832 -7.840 -14.872 597 2HH1 ARG 74 2HH2 ARG 74 -8.432 -8.479 -14.692 598 1HH2 ARG 74 2HH1 ARG 74 -9.920 -5.369 -14.333 599 2HH2 ARG 74 1HH1 ARG 74 -10.179 -7.080 -14.387 600 HA PRO 75 HA PRO 75 -9.329 -4.260 -8.340 601 1HB PRO 75 2HB PRO 75 -11.917 -4.395 -9.252 602 2HB PRO 75 1HB PRO 75 -11.194 -2.927 -8.572 603 1HG PRO 75 2HG PRO 75 -11.809 -3.570 -11.417 604 2HG PRO 75 1HG PRO 75 -11.680 -1.990 -10.627 605 1HD PRO 75 2HD PRO 75 -9.705 -3.205 -12.263 606 2HD PRO 75 1HD PRO 75 -9.479 -1.776 -11.230 607 H TYR 76 H TYR 76 -10.655 -6.321 -7.962 608 HA TYR 76 HA TYR 76 -9.695 -8.413 -9.781 609 1HB TYR 76 2HB TYR 76 -9.684 -8.707 -7.302 610 2HB TYR 76 1HB TYR 76 -11.447 -8.645 -7.315 611 HD1 TYR 76 HD1 TYR 76 -8.490 -10.559 -8.494 612 HD2 TYR 76 HD2 TYR 76 -12.762 -10.521 -8.024 613 HE1 TYR 76 HE1 TYR 76 -8.572 -12.975 -9.050 614 HE2 TYR 76 HE2 TYR 76 -12.844 -12.938 -8.581 615 HH TYR 76 HH TYR 76 -11.644 -14.776 -8.961 616 H GLY 77 H GLY 77 -12.130 -6.354 -10.143 617 1HA GLY 77 2HA GLY 77 -13.637 -6.955 -12.091 618 2HA GLY 77 1HA GLY 77 -14.003 -8.434 -11.201 619 H LEU 78 H LEU 78 -14.136 -4.881 -10.817 620 HA LEU 78 HA LEU 78 -16.845 -5.155 -9.681 621 1HB LEU 78 2HB LEU 78 -14.547 -4.866 -8.011 622 2HB LEU 78 1HB LEU 78 -15.444 -3.348 -7.965 623 HG LEU 78 HG LEU 78 -17.511 -5.057 -7.765 624 1HD1 LEU 78 1HD1 LEU 78 -15.760 -6.520 -5.922 625 2HD1 LEU 78 2HD1 LEU 78 -15.355 -6.791 -7.617 626 3HD1 LEU 78 3HD1 LEU 78 -16.983 -7.135 -7.033 627 1HD2 LEU 78 1HD2 LEU 78 -17.482 -3.539 -6.048 628 2HD2 LEU 78 2HD2 LEU 78 -15.741 -3.690 -5.812 629 3HD2 LEU 78 3HD2 LEU 78 -16.829 -4.904 -5.140 630 H GLU 79 H GLU 79 -17.269 -4.001 -11.723 631 HA GLU 79 HA GLU 79 -17.862 -1.995 -12.797 632 1HB GLU 79 2HB GLU 79 -16.610 -0.471 -10.516 633 2HB GLU 79 1HB GLU 79 -17.968 -0.002 -11.540 634 1HG GLU 79 2HG GLU 79 -18.981 -2.270 -10.490 635 2HG GLU 79 1HG GLU 79 -17.917 -1.792 -9.167 636 H ASN 80 H ASN 80 -16.738 -1.108 -14.463 637 HA ASN 80 HA ASN 80 -13.928 -1.449 -14.749 638 1HB ASN 80 2HB ASN 80 -14.201 0.240 -16.642 639 2HB ASN 80 1HB ASN 80 -15.249 -1.177 -16.732 640 1HD2 ASN 80 1HD2 ASN 80 -16.530 0.526 -18.128 641 2HD2 ASN 80 2HD2 ASN 80 -17.656 1.481 -17.290 642 H VAL 81 H VAL 81 -12.204 -0.129 -14.226 643 HA VAL 81 HA VAL 81 -12.593 1.951 -12.272 644 HB VAL 81 HB VAL 81 -10.153 1.274 -13.944 645 1HG1 VAL 81 1HG1 VAL 81 -8.885 2.602 -12.461 646 2HG1 VAL 81 2HG1 VAL 81 -10.189 2.679 -11.275 647 3HG1 VAL 81 3HG1 VAL 81 -10.314 3.584 -12.785 648 1HG2 VAL 81 1HG2 VAL 81 -11.423 0.077 -11.568 649 2HG2 VAL 81 2HG2 VAL 81 -9.705 0.417 -11.369 650 3HG2 VAL 81 3HG2 VAL 81 -10.251 -0.620 -12.686 651 HA PRO 82 HA PRO 82 -13.289 5.303 -15.066 652 1HB PRO 82 2HB PRO 82 -12.956 7.328 -13.237 653 2HB PRO 82 1HB PRO 82 -14.413 6.324 -13.331 654 1HG PRO 82 2HG PRO 82 -12.214 6.252 -11.321 655 2HG PRO 82 1HG PRO 82 -13.907 5.757 -11.151 656 1HD PRO 82 2HD PRO 82 -11.696 4.024 -11.533 657 2HD PRO 82 1HD PRO 82 -13.411 3.582 -11.673 658 HA PRO 83 HA PRO 83 -9.266 6.734 -16.195 659 1HB PRO 83 2HB PRO 83 -10.011 8.901 -17.716 660 2HB PRO 83 1HB PRO 83 -10.165 7.221 -18.262 661 1HG PRO 83 2HG PRO 83 -12.292 9.099 -17.344 662 2HG PRO 83 1HG PRO 83 -12.415 7.715 -18.444 663 1HD PRO 83 2HD PRO 83 -13.192 7.746 -15.719 664 2HD PRO 83 1HD PRO 83 -13.005 6.302 -16.737 665 H GLU 84 H GLU 84 -11.385 8.550 -14.232 666 HA GLU 84 HA GLU 84 -9.878 10.994 -13.996 667 1HB GLU 84 2HB GLU 84 -12.131 9.697 -12.608 668 2HB GLU 84 1HB GLU 84 -11.132 10.708 -11.564 669 1HG GLU 84 2HG GLU 84 -11.410 12.611 -13.043 670 2HG GLU 84 1HG GLU 84 -12.261 11.617 -14.226 671 H LEU 85 H LEU 85 -9.322 7.800 -12.889 672 HA LEU 85 HA LEU 85 -7.554 8.694 -10.684 673 1HB LEU 85 2HB LEU 85 -8.895 6.761 -10.167 674 2HB LEU 85 1HB LEU 85 -8.407 5.956 -11.659 675 HG LEU 85 HG LEU 85 -6.048 5.958 -10.845 676 1HD1 LEU 85 1HD1 LEU 85 -7.251 7.664 -8.826 677 2HD1 LEU 85 2HD1 LEU 85 -5.545 7.390 -9.178 678 3HD1 LEU 85 3HD1 LEU 85 -6.405 6.306 -8.083 679 1HD2 LEU 85 1HD2 LEU 85 -6.361 4.178 -9.189 680 2HD2 LEU 85 2HD2 LEU 85 -7.556 4.009 -10.475 681 3HD2 LEU 85 3HD2 LEU 85 -8.025 4.694 -8.918 682 H GLU 86 H GLU 86 -7.397 7.784 -14.007 683 HA GLU 86 HA GLU 86 -4.609 6.911 -13.939 684 1HB GLU 86 2HB GLU 86 -6.699 6.713 -15.776 685 2HB GLU 86 1HB GLU 86 -5.571 7.838 -16.534 686 1HG GLU 86 2HG GLU 86 -4.466 5.970 -17.202 687 2HG GLU 86 1HG GLU 86 -3.871 5.922 -15.542 688 H ALA 87 H ALA 87 -6.308 9.937 -14.250 689 HA ALA 87 HA ALA 87 -4.132 11.406 -15.477 690 1HB ALA 87 1HB ALA 87 -5.765 13.131 -13.883 691 2HB ALA 87 2HB ALA 87 -6.814 11.941 -14.655 692 3HB ALA 87 3HB ALA 87 -5.757 12.954 -15.638 693 H VAL 88 H VAL 88 -4.852 10.352 -12.257 694 HA VAL 88 HA VAL 88 -2.662 12.097 -11.212 695 HB VAL 88 HB VAL 88 -3.674 11.964 -9.049 696 1HG1 VAL 88 1HG1 VAL 88 -6.222 12.412 -9.775 697 2HG1 VAL 88 2HG1 VAL 88 -5.467 12.510 -11.366 698 3HG1 VAL 88 3HG1 VAL 88 -4.942 13.588 -10.073 699 1HG2 VAL 88 1HG2 VAL 88 -4.220 9.552 -9.121 700 2HG2 VAL 88 2HG2 VAL 88 -5.538 9.887 -10.245 701 3HG2 VAL 88 3HG2 VAL 88 -5.610 10.501 -8.593 702 H SER 89 H SER 89 -3.210 9.030 -12.295 703 HA SER 89 HA SER 89 -1.548 7.703 -10.224 704 1HB SER 89 2HB SER 89 -3.613 6.583 -11.140 705 2HB SER 89 1HB SER 89 -2.811 6.503 -12.705 706 HG SER 89 HG SER 89 -2.228 5.176 -10.302 707 H SER 90 H SER 90 0.575 7.149 -10.606 708 HA SER 90 HA SER 90 1.885 8.298 -12.945 709 1HB SER 90 2HB SER 90 2.716 7.023 -10.410 710 2HB SER 90 1HB SER 90 3.804 6.752 -11.769 711 HG SER 90 HG SER 90 2.801 9.328 -11.353 712 H GLU 91 H GLU 91 0.892 5.082 -11.892 713 HA GLU 91 HA GLU 91 1.174 4.094 -14.630 714 1HB GLU 91 2HB GLU 91 3.244 3.603 -12.636 715 2HB GLU 91 1HB GLU 91 2.546 2.100 -13.239 716 1HG GLU 91 2HG GLU 91 3.040 4.074 -15.353 717 2HG GLU 91 1HG GLU 91 4.508 3.565 -14.519 718 H VAL 92 H VAL 92 0.458 1.714 -14.695 719 HA VAL 92 HA VAL 92 -1.413 1.119 -12.442 720 HB VAL 92 HB VAL 92 -3.148 0.504 -13.987 721 1HG1 VAL 92 1HG1 VAL 92 -3.001 2.904 -13.557 722 2HG1 VAL 92 2HG1 VAL 92 -3.482 2.640 -15.234 723 3HG1 VAL 92 3HG1 VAL 92 -1.819 3.090 -14.853 724 1HG2 VAL 92 1HG2 VAL 92 -2.611 -0.320 -16.014 725 2HG2 VAL 92 2HG2 VAL 92 -0.929 0.143 -15.763 726 3HG2 VAL 92 3HG2 VAL 92 -2.053 1.277 -16.511 727 H VAL 93 H VAL 93 -1.911 -1.185 -12.230 728 HA VAL 93 HA VAL 93 -0.050 -2.987 -13.708 729 HB VAL 93 HB VAL 93 -0.546 -3.409 -10.775 730 1HG1 VAL 93 1HG1 VAL 93 0.989 -5.037 -11.057 731 2HG1 VAL 93 2HG1 VAL 93 2.102 -3.934 -11.865 732 3HG1 VAL 93 3HG1 VAL 93 0.847 -4.756 -12.791 733 1HG2 VAL 93 1HG2 VAL 93 1.532 -2.124 -10.308 734 2HG2 VAL 93 2HG2 VAL 93 0.251 -1.092 -10.947 735 3HG2 VAL 93 3HG2 VAL 93 1.573 -1.609 -11.995 736 H GLY 94 H GLY 94 -0.793 -5.223 -13.755 737 1HA GLY 94 2HA GLY 94 -3.721 -5.462 -13.181 738 2HA GLY 94 1HA GLY 94 -2.941 -6.235 -14.561 739 H TRP 95 H TRP 95 -3.722 -8.308 -13.766 740 HA TRP 95 HA TRP 95 -2.655 -9.248 -11.180 741 1HB TRP 95 2HB TRP 95 -4.467 -10.457 -13.273 742 2HB TRP 95 1HB TRP 95 -3.830 -11.412 -11.936 743 HD1 TRP 95 HD1 TRP 95 -6.573 -9.099 -12.807 744 HE1 TRP 95 HE1 TRP 95 -7.893 -8.421 -10.698 745 HE3 TRP 95 HE3 TRP 95 -3.398 -10.818 -9.193 746 HZ2 TRP 95 HZ2 TRP 95 -7.634 -8.586 -7.852 747 HZ3 TRP 95 HZ3 TRP 95 -3.958 -10.545 -6.793 748 HH2 TRP 95 HH2 TRP 95 -6.070 -9.433 -6.120 749 H ASN 96 H ASN 96 -0.700 -8.565 -13.181 750 HA ASN 96 HA ASN 96 0.340 -11.264 -13.937 751 1HB ASN 96 2HB ASN 96 0.646 -8.526 -15.133 752 2HB ASN 96 1HB ASN 96 1.922 -9.720 -15.377 753 1HD2 ASN 96 1HD2 ASN 96 1.574 -11.266 -17.001 754 2HD2 ASN 96 2HD2 ASN 96 0.089 -11.517 -17.784 755 HA PRO 97 HA PRO 97 3.559 -10.692 -11.000 756 1HB PRO 97 2HB PRO 97 5.345 -12.503 -12.042 757 2HB PRO 97 1HB PRO 97 3.892 -12.967 -11.140 758 1HG PRO 97 2HG PRO 97 4.411 -13.124 -14.072 759 2HG PRO 97 1HG PRO 97 3.313 -14.091 -13.073 760 1HD PRO 97 2HD PRO 97 2.565 -11.937 -14.758 761 2HD PRO 97 1HD PRO 97 1.544 -12.702 -13.521 762 H HIS 98 H HIS 98 5.139 -11.276 -14.162 763 HA HIS 98 HA HIS 98 7.404 -9.715 -13.816 764 1HB HIS 98 2HB HIS 98 6.075 -10.909 -16.010 765 2HB HIS 98 1HB HIS 98 6.379 -9.235 -16.470 766 HD1 HIS 98 HD1 HIS 98 7.991 -12.440 -16.426 767 HD2 HIS 98 HD2 HIS 98 9.277 -8.520 -15.826 768 HE1 HIS 98 HE1 HIS 98 10.504 -12.457 -16.731 769 H CYS 99 H CYS 99 4.128 -8.608 -14.496 770 HA CYS 99 HA CYS 99 4.758 -5.913 -15.193 771 1HB CYS 99 2HB CYS 99 2.422 -7.433 -14.807 772 2HB CYS 99 1HB CYS 99 2.304 -6.097 -13.662 773 HG CYS 99 HG CYS 99 2.939 -5.499 -16.662 774 H ILE 100 H ILE 100 3.795 -7.273 -12.018 775 HA ILE 100 HA ILE 100 4.066 -4.905 -10.511 776 HB ILE 100 HB ILE 100 4.581 -7.788 -9.736 777 1HG1 ILE 100 2HG1 ILE 100 2.238 -5.903 -9.319 778 2HG1 ILE 100 1HG1 ILE 100 2.280 -7.275 -10.429 779 1HG2 ILE 100 1HG2 ILE 100 4.770 -5.239 -8.194 780 2HG2 ILE 100 2HG2 ILE 100 5.664 -6.745 -7.988 781 3HG2 ILE 100 3HG2 ILE 100 4.007 -6.616 -7.398 782 1HD1 ILE 100 1HD1 ILE 100 2.189 -7.274 -7.427 783 2HD1 ILE 100 2HD1 ILE 100 2.918 -8.638 -8.274 784 3HD1 ILE 100 3HD1 ILE 100 1.231 -8.216 -8.569 785 H ARG 101 H ARG 101 6.528 -6.944 -11.892 786 HA ARG 101 HA ARG 101 8.686 -6.091 -10.166 787 1HB ARG 101 2HB ARG 101 8.380 -7.991 -12.169 788 2HB ARG 101 1HB ARG 101 9.480 -6.813 -12.887 789 1HG ARG 101 2HG ARG 101 11.126 -7.173 -11.297 790 2HG ARG 101 1HG ARG 101 9.971 -7.677 -10.064 791 1HD ARG 101 2HD ARG 101 9.969 -9.447 -12.393 792 2HD ARG 101 1HD ARG 101 11.540 -9.379 -11.594 793 HE ARG 101 HE ARG 101 9.224 -9.783 -9.815 794 1HH1 ARG 101 1HH2 ARG 101 12.028 -10.555 -9.107 795 2HH1 ARG 101 2HH2 ARG 101 12.001 -12.272 -9.332 796 1HH2 ARG 101 2HH1 ARG 101 9.087 -12.248 -11.209 797 2HH2 ARG 101 1HH1 ARG 101 10.338 -13.231 -10.523 798 H ASP 102 H ASP 102 8.287 -5.347 -13.648 799 HA ASP 102 HA ASP 102 10.040 -3.140 -13.676 800 1HB ASP 102 2HB ASP 102 8.235 -4.372 -15.490 801 2HB ASP 102 1HB ASP 102 7.872 -2.647 -15.494 802 H ALA 103 H ALA 103 6.708 -3.328 -12.608 803 HA ALA 103 HA ALA 103 6.159 -0.505 -12.649 804 1HB ALA 103 1HB ALA 103 4.137 -1.383 -12.177 805 2HB ALA 103 2HB ALA 103 4.698 -1.627 -10.524 806 3HB ALA 103 3HB ALA 103 4.860 -2.922 -11.710 807 H LEU 104 H LEU 104 7.170 -2.676 -9.986 808 HA LEU 104 HA LEU 104 7.572 -0.478 -8.140 809 1HB LEU 104 2HB LEU 104 7.126 -2.688 -7.252 810 2HB LEU 104 1HB LEU 104 8.520 -3.357 -8.101 811 HG LEU 104 HG LEU 104 9.078 -1.045 -6.330 812 1HD1 LEU 104 1HD1 LEU 104 9.083 -2.458 -4.306 813 2HD1 LEU 104 2HD1 LEU 104 8.397 -3.792 -5.234 814 3HD1 LEU 104 3HD1 LEU 104 7.455 -2.322 -4.974 815 1HD2 LEU 104 1HD2 LEU 104 10.362 -3.744 -6.852 816 2HD2 LEU 104 2HD2 LEU 104 11.038 -2.508 -5.791 817 3HD2 LEU 104 3HD2 LEU 104 10.871 -2.191 -7.517 818 H GLU 105 H GLU 105 9.382 -1.752 -10.741 819 HA GLU 105 HA GLU 105 12.034 -1.122 -9.756 820 1HB GLU 105 2HB GLU 105 11.522 -2.703 -11.658 821 2HB GLU 105 1HB GLU 105 11.113 -1.296 -12.639 822 1HG GLU 105 2HG GLU 105 13.373 -0.387 -12.310 823 2HG GLU 105 1HG GLU 105 13.789 -1.768 -11.294 824 H ASP 106 H ASP 106 9.484 0.667 -11.359 825 HA ASP 106 HA ASP 106 11.091 2.899 -12.213 826 1HB ASP 106 2HB ASP 106 8.540 2.165 -12.689 827 2HB ASP 106 1HB ASP 106 8.259 3.362 -11.424 828 H ALA 107 H ALA 107 10.130 1.830 -9.130 829 HA ALA 107 HA ALA 107 9.826 4.366 -7.805 830 1HB ALA 107 1HB ALA 107 9.637 1.671 -7.077 831 2HB ALA 107 2HB ALA 107 9.396 3.058 -6.016 832 3HB ALA 107 3HB ALA 107 10.981 2.292 -6.119 833 H LEU 108 H LEU 108 12.602 2.094 -7.785 834 HA LEU 108 HA LEU 108 14.373 4.147 -6.716 835 1HB LEU 108 2HB LEU 108 14.461 1.295 -7.184 836 2HB LEU 108 1HB LEU 108 15.923 2.059 -7.808 837 HG LEU 108 HG LEU 108 15.491 3.336 -5.369 838 1HD1 LEU 108 1HD1 LEU 108 15.574 0.839 -4.146 839 2HD1 LEU 108 2HD1 LEU 108 14.302 0.665 -5.356 840 3HD1 LEU 108 3HD1 LEU 108 14.199 1.944 -4.145 841 1HD2 LEU 108 1HD2 LEU 108 17.259 0.969 -6.067 842 2HD2 LEU 108 2HD2 LEU 108 17.484 2.012 -4.664 843 3HD2 LEU 108 3HD2 LEU 108 17.662 2.670 -6.290 844 H ASP 109 H ASP 109 13.050 3.837 -9.701 845 HA ASP 109 HA ASP 109 15.442 4.297 -11.324 846 1HB ASP 109 2HB ASP 109 12.983 3.346 -11.933 847 2HB ASP 109 1HB ASP 109 12.766 5.038 -12.383 848 H VAL 110 H VAL 110 15.927 6.316 -12.393 849 HA VAL 110 HA VAL 110 15.168 8.659 -10.758 850 HB VAL 110 HB VAL 110 16.938 9.821 -12.051 851 1HG1 VAL 110 1HG1 VAL 110 18.781 8.665 -11.063 852 2HG1 VAL 110 2HG1 VAL 110 17.940 7.116 -11.139 853 3HG1 VAL 110 3HG1 VAL 110 17.402 8.357 -10.006 854 1HG2 VAL 110 1HG2 VAL 110 17.369 7.131 -13.382 855 2HG2 VAL 110 2HG2 VAL 110 18.237 8.631 -13.709 856 3HG2 VAL 110 3HG2 VAL 110 16.538 8.481 -14.156 857 H ILE 111 HN ILE 111 13.980 7.136 -13.484 858 HA ILE 111 HA ILE 111 13.124 9.692 -14.754 859 HB ILE 111 HB ILE 111 12.258 8.102 -16.562 860 1HG1 ILE 111 2HG1 ILE 111 14.153 6.035 -15.642 861 2HG1 ILE 111 1HG1 ILE 111 12.706 6.185 -14.644 862 1HG2 ILE 111 1HG2 ILE 111 14.258 8.334 -17.645 863 2HG2 ILE 111 2HG2 ILE 111 15.172 7.601 -16.327 864 3HG2 ILE 111 3HG2 ILE 111 14.674 9.290 -16.222 865 1HD1 ILE 111 1HD1 ILE 111 11.537 5.058 -16.201 866 2HD1 ILE 111 2HD1 ILE 111 12.966 4.970 -17.231 867 3HD1 ILE 111 3HD1 ILE 111 11.871 6.346 -17.358
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