NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592893 | 2mry | 25098 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 26 1HA GLY 26 3.979 19.852 5.740 2 HA3 GLY 26 2HA GLY 26 2.545 19.799 6.755 3 H ALA 27 H ALA 27 1.527 19.085 3.742 4 HA ALA 27 HA ALA 27 1.285 16.264 4.342 5 HB1 ALA 27 3HB ALA 27 -0.563 17.659 3.373 6 HB2 ALA 27 1HB ALA 27 -0.236 16.152 2.518 7 HB3 ALA 27 2HB ALA 27 0.342 17.682 1.860 8 H MET 28 H MET 28 3.642 15.891 4.229 9 HA MET 28 HA MET 28 4.810 15.873 1.562 10 HB2 MET 28 1HB MET 28 5.859 16.229 4.096 11 HB3 MET 28 2HB MET 28 6.365 14.598 3.679 12 HG2 MET 28 1HG MET 28 7.999 16.374 3.085 13 HG3 MET 28 2HG MET 28 7.498 15.359 1.733 14 HE1 MET 28 3HE MET 28 8.949 17.706 0.786 15 HE2 MET 28 1HE MET 28 8.680 18.660 2.243 16 HE3 MET 28 2HE MET 28 8.145 19.271 0.678 17 H GLY 29 H GLY 29 5.357 14.066 0.398 18 HA2 GLY 29 1HA GLY 29 3.907 11.643 1.071 19 HA3 GLY 29 2HA GLY 29 4.744 11.973 -0.437 20 H GLN 30 H GLN 30 4.989 9.514 0.572 21 HA GLN 30 HA GLN 30 7.690 9.488 1.767 22 HB2 GLN 30 1HB GLN 30 5.319 7.711 2.222 23 HB3 GLN 30 2HB GLN 30 6.943 7.084 2.470 24 HG2 GLN 30 1HG GLN 30 6.989 9.467 3.836 25 HG3 GLN 30 2HG GLN 30 5.355 8.874 4.123 26 HE21 GLN 30 2HE2 GLN 30 8.633 8.586 4.930 27 HE22 GLN 30 1HE2 GLN 30 8.497 7.233 5.993 28 H LYS 31 H LYS 31 9.254 8.557 0.623 29 HA LYS 31 HA LYS 31 8.585 7.297 -1.908 30 HB2 LYS 31 1HB LYS 31 10.639 8.969 -1.096 31 HB3 LYS 31 2HB LYS 31 11.416 7.397 -1.233 32 HG2 LYS 31 1HG LYS 31 11.656 7.943 -3.386 33 HG3 LYS 31 2HG LYS 31 9.963 7.470 -3.526 34 HD2 LYS 31 1HD LYS 31 9.965 9.565 -4.509 35 HD3 LYS 31 2HD LYS 31 9.488 9.935 -2.851 36 HE2 LYS 31 1HE LYS 31 11.987 10.289 -2.424 37 HE3 LYS 31 2HE LYS 31 12.144 10.336 -4.179 38 HZ1 LYS 31 3HZ LYS 31 11.870 12.545 -3.088 39 HZ2 LYS 31 1HZ LYS 31 10.297 12.091 -2.661 40 HZ3 LYS 31 2HZ LYS 31 10.727 12.217 -4.291 41 H ALA 32 H ALA 32 8.657 5.169 -2.272 42 HA ALA 32 HA ALA 32 9.118 3.358 -0.109 43 HB1 ALA 32 3HB ALA 32 8.637 1.605 -1.790 44 HB2 ALA 32 1HB ALA 32 8.589 2.856 -3.033 45 HB3 ALA 32 2HB ALA 32 7.404 2.867 -1.727 46 H GLN 33 H GLN 33 10.671 1.628 -0.055 47 HA GLN 33 HA GLN 33 13.270 2.514 -0.941 48 HB2 GLN 33 1HB GLN 33 14.176 0.763 0.415 49 HB3 GLN 33 2HB GLN 33 12.882 1.528 1.319 50 HG2 GLN 33 1HG GLN 33 11.395 -0.357 0.511 51 HG3 GLN 33 2HG GLN 33 12.872 -1.150 -0.033 52 HE21 GLN 33 2HE2 GLN 33 11.581 0.464 2.852 53 HE22 GLN 33 1HE2 GLN 33 12.238 -0.666 3.981 54 H GLN 34 H GLN 34 14.504 1.704 -2.526 55 HA GLN 34 HA GLN 34 13.245 -0.197 -4.352 56 HB2 GLN 34 1HB GLN 34 15.801 1.360 -4.777 57 HB3 GLN 34 2HB GLN 34 14.830 0.549 -5.998 58 HG2 GLN 34 1HG GLN 34 12.966 2.189 -5.190 59 HG3 GLN 34 2HG GLN 34 14.333 3.124 -4.584 60 HE21 GLN 34 2HE2 GLN 34 15.682 4.142 -6.017 61 HE22 GLN 34 1HE2 GLN 34 15.349 4.258 -7.707 62 H LYS 35 H LYS 35 13.669 -2.273 -4.037 63 HA LYS 35 HA LYS 35 16.190 -3.082 -2.802 64 HB2 LYS 35 1HB LYS 35 13.918 -4.907 -3.564 65 HB3 LYS 35 2HB LYS 35 15.168 -5.172 -2.359 66 HG2 LYS 35 1HG LYS 35 13.478 -2.817 -1.892 67 HG3 LYS 35 2HG LYS 35 12.645 -4.370 -1.809 68 HD2 LYS 35 1HD LYS 35 15.180 -4.471 -0.424 69 HD3 LYS 35 2HD LYS 35 14.172 -3.162 0.194 70 HE2 LYS 35 1HE LYS 35 12.383 -5.226 -0.033 71 HE3 LYS 35 2HE LYS 35 13.860 -6.060 0.445 72 HZ1 LYS 35 3HZ LYS 35 12.136 -4.859 2.144 73 HZ2 LYS 35 1HZ LYS 35 13.326 -3.651 1.955 74 HZ3 LYS 35 2HZ LYS 35 13.762 -5.203 2.492 75 H ASN 36 H ASN 36 16.102 -5.764 -3.964 76 HA ASN 36 HA ASN 36 17.660 -5.200 -6.324 77 HB2 ASN 36 1HB ASN 36 17.197 -7.544 -4.571 78 HB3 ASN 36 2HB ASN 36 17.643 -7.885 -6.239 79 HD21 ASN 36 2HD2 ASN 36 19.721 -7.814 -6.762 80 HD22 ASN 36 1HD2 ASN 36 20.980 -7.168 -5.773 81 H GLY 37 H GLY 37 15.802 -4.333 -7.574 82 HA2 GLY 37 1HA GLY 37 14.796 -4.847 -9.668 83 HA3 GLY 37 2HA GLY 37 14.631 -6.514 -9.151 84 H TYR 38 H TYR 38 13.575 -4.872 -6.559 85 HA TYR 38 HA TYR 38 10.897 -4.296 -7.568 86 HB2 TYR 38 1HB TYR 38 9.804 -5.727 -5.911 87 HB3 TYR 38 2HB TYR 38 10.832 -6.682 -6.970 88 HD1 TYR 38 HD2 TYR 38 13.145 -7.357 -6.080 89 HD2 TYR 38 HD1 TYR 38 10.039 -5.855 -3.592 90 HE1 TYR 38 HE2 TYR 38 14.254 -8.339 -4.118 91 HE2 TYR 38 HE1 TYR 38 11.140 -6.833 -1.621 92 HH TYR 38 HH TYR 38 13.177 -7.665 -0.872 93 H GLN 39 H GLN 39 9.497 -3.282 -5.863 94 HA GLN 39 HA GLN 39 11.184 -1.729 -4.001 95 HB2 GLN 39 1HB GLN 39 8.572 -0.574 -4.683 96 HB3 GLN 39 2HB GLN 39 10.144 0.195 -4.554 97 HG2 GLN 39 1HG GLN 39 10.259 -1.425 -6.839 98 HG3 GLN 39 2HG GLN 39 8.699 -0.605 -6.889 99 HE21 GLN 39 2HE2 GLN 39 12.081 -0.293 -7.219 100 HE22 GLN 39 1HE2 GLN 39 12.123 1.394 -7.602 101 H GLU 40 H GLU 40 10.256 -1.080 -1.988 102 HA GLU 40 HA GLU 40 7.857 -2.515 -1.121 103 HB2 GLU 40 1HB GLU 40 9.843 -3.985 -0.702 104 HB3 GLU 40 2HB GLU 40 10.476 -2.748 0.372 105 HG2 GLU 40 1HG GLU 40 7.905 -3.183 1.295 106 HG3 GLU 40 2HG GLU 40 8.484 -4.790 0.857 107 H ILE 41 H ILE 41 6.742 -1.509 0.510 108 HA ILE 41 HA ILE 41 7.995 0.709 1.944 109 HB ILE 41 HB ILE 41 7.051 1.953 0.166 110 HG12 ILE 41 1HG1 ILE 41 4.700 2.574 1.624 111 HG13 ILE 41 2HG1 ILE 41 5.930 2.127 2.796 112 HG21 ILE 41 1HG2 ILE 41 4.267 1.229 0.307 113 HG22 ILE 41 2HG2 ILE 41 5.271 -0.170 -0.084 114 HG23 ILE 41 3HG2 ILE 41 5.350 1.278 -1.087 115 HD11 ILE 41 3HD1 ILE 41 7.450 3.783 1.704 116 HD12 ILE 41 1HD1 ILE 41 6.030 4.478 2.490 117 HD13 ILE 41 2HD1 ILE 41 6.072 4.309 0.734 118 H ARG 42 H ARG 42 7.449 0.709 4.036 119 HA ARG 42 HA ARG 42 5.362 -1.114 4.918 120 HB2 ARG 42 1HB ARG 42 7.831 -0.687 5.907 121 HB3 ARG 42 2HB ARG 42 6.914 0.426 6.914 122 HG2 ARG 42 1HG ARG 42 5.407 -1.448 7.524 123 HG3 ARG 42 2HG ARG 42 6.460 -2.535 6.616 124 HD2 ARG 42 1HD ARG 42 7.614 -2.795 8.506 125 HD3 ARG 42 2HD ARG 42 8.198 -1.151 8.263 126 HE ARG 42 HE ARG 42 6.406 -0.396 9.719 127 HH11 ARG 42 1HH1 ARG 42 7.088 -3.802 9.762 128 HH12 ARG 42 2HH1 ARG 42 6.423 -4.034 11.340 129 HH21 ARG 42 1HH2 ARG 42 5.526 -0.712 11.775 130 HH22 ARG 42 2HH2 ARG 42 5.548 -2.301 12.471 131 H VAL 43 H VAL 43 3.387 -0.359 5.013 132 HA VAL 43 HA VAL 43 2.909 2.455 5.697 133 HB VAL 43 HB VAL 43 0.969 0.394 4.618 134 HG11 VAL 43 1HG1 VAL 43 0.353 3.180 4.135 135 HG12 VAL 43 2HG1 VAL 43 0.434 2.814 5.860 136 HG13 VAL 43 3HG1 VAL 43 -0.658 1.904 4.816 137 HG21 VAL 43 3HG2 VAL 43 2.351 2.636 3.156 138 HG22 VAL 43 1HG2 VAL 43 1.244 1.444 2.472 139 HG23 VAL 43 2HG2 VAL 43 2.826 0.939 3.070 140 H GLU 44 H GLU 44 2.888 2.694 7.841 141 HA GLU 44 HA GLU 44 1.949 0.719 9.667 142 HB2 GLU 44 1HB GLU 44 3.633 2.714 9.996 143 HB3 GLU 44 2HB GLU 44 2.180 3.603 10.427 144 HG2 GLU 44 1HG GLU 44 2.187 2.732 12.457 145 HG3 GLU 44 2HG GLU 44 2.221 1.093 11.810 146 H VAL 45 H VAL 45 -0.087 0.191 9.957 147 HA VAL 45 HA VAL 45 -2.204 2.119 9.367 148 HB VAL 45 HB VAL 45 -2.205 -0.880 9.696 149 HG11 VAL 45 1HG1 VAL 45 -4.585 0.925 9.304 150 HG12 VAL 45 2HG1 VAL 45 -4.246 -0.077 10.717 151 HG13 VAL 45 3HG1 VAL 45 -4.605 -0.833 9.164 152 HG21 VAL 45 3HG2 VAL 45 -3.286 0.539 7.326 153 HG22 VAL 45 1HG2 VAL 45 -2.445 -1.008 7.433 154 HG23 VAL 45 2HG2 VAL 45 -1.535 0.499 7.538 155 H MET 46 H MET 46 -2.399 3.394 11.132 156 HA MET 46 HA MET 46 -3.509 2.144 13.524 157 HB2 MET 46 1HB MET 46 -2.098 3.873 14.881 158 HB3 MET 46 2HB MET 46 -1.373 2.348 14.395 159 HG2 MET 46 1HG MET 46 -0.481 3.599 12.370 160 HG3 MET 46 2HG MET 46 -0.951 5.070 13.219 161 HE1 MET 46 3HE MET 46 0.203 6.138 15.046 162 HE2 MET 46 1HE MET 46 1.496 5.470 16.041 163 HE3 MET 46 2HE MET 46 -0.153 4.869 16.218 164 H GLY 47 H GLY 47 -5.498 2.987 12.852 165 HA2 GLY 47 1HA GLY 47 -7.176 4.582 13.132 166 HA3 GLY 47 2HA GLY 47 -5.946 5.753 13.591 167 H GLY 48 H GLY 48 -4.836 4.361 10.887 168 HA2 GLY 48 1HA GLY 48 -6.195 5.150 8.680 169 HA3 GLY 48 2HA GLY 48 -5.426 6.633 9.231 170 H TYR 49 H TYR 49 -4.429 6.301 6.999 171 HA TYR 49 HA TYR 49 -2.248 4.359 6.991 172 HB2 TYR 49 1HB TYR 49 -3.084 6.310 4.831 173 HB3 TYR 49 2HB TYR 49 -1.943 4.982 4.650 174 HD1 TYR 49 HD2 TYR 49 -3.119 2.652 5.653 175 HD2 TYR 49 HD1 TYR 49 -5.086 5.925 3.777 176 HE1 TYR 49 HE2 TYR 49 -4.972 1.167 5.012 177 HE2 TYR 49 HE1 TYR 49 -6.941 4.449 3.132 178 HH TYR 49 HH TYR 49 -7.107 1.111 4.236 179 H THR 50 H THR 50 -0.227 4.892 7.590 180 HA THR 50 HA THR 50 0.395 7.481 8.523 181 HB THR 50 HB THR 50 2.193 5.123 7.970 182 HG1 THR 50 HG1 THR 50 0.841 4.808 9.725 183 HG21 THR 50 3HG2 THR 50 3.394 7.342 7.796 184 HG22 THR 50 1HG2 THR 50 3.989 6.255 9.052 185 HG23 THR 50 2HG2 THR 50 2.955 7.618 9.483 186 HA PRO 51 HA PRO 51 2.959 8.344 4.608 187 HB2 PRO 51 1HB PRO 51 3.130 6.543 2.606 188 HB3 PRO 51 2HB PRO 51 4.237 6.526 3.982 189 HG2 PRO 51 1HG PRO 51 1.823 4.838 3.472 190 HG3 PRO 51 2HG PRO 51 3.404 4.365 4.119 191 HD2 PRO 51 1HD PRO 51 1.220 4.794 5.690 192 HD3 PRO 51 2HD PRO 51 2.888 5.060 6.236 193 H GLU 52 H GLU 52 1.227 9.743 4.268 194 HA GLU 52 HA GLU 52 -1.248 9.222 3.188 195 HB2 GLU 52 1HB GLU 52 -1.151 11.636 2.349 196 HB3 GLU 52 2HB GLU 52 -0.929 11.368 4.072 197 HG2 GLU 52 1HG GLU 52 1.614 11.292 2.783 198 HG3 GLU 52 2HG GLU 52 0.753 12.745 2.282 199 H LEU 53 H LEU 53 1.734 9.939 1.404 200 HA LEU 53 HA LEU 53 0.443 8.846 -0.995 201 HB2 LEU 53 1HB LEU 53 2.410 10.780 -1.759 202 HB3 LEU 53 2HB LEU 53 0.715 10.704 -2.179 203 HG LEU 53 HG LEU 53 1.424 11.831 0.480 204 HD11 LEU 53 1HD1 LEU 53 2.295 12.928 -2.101 205 HD12 LEU 53 2HD1 LEU 53 2.875 13.260 -0.468 206 HD13 LEU 53 3HD1 LEU 53 1.421 14.059 -1.067 207 HD21 LEU 53 3HD2 LEU 53 -0.925 11.493 -0.413 208 HD22 LEU 53 1HD2 LEU 53 -0.565 12.770 -1.576 209 HD23 LEU 53 2HD2 LEU 53 -0.535 13.118 0.153 210 H ILE 54 H ILE 54 1.515 7.106 -1.658 211 HA ILE 54 HA ILE 54 4.336 6.801 -0.898 212 HB ILE 54 HB ILE 54 3.959 4.419 -1.823 213 HG12 ILE 54 1HG1 ILE 54 1.085 5.259 -1.387 214 HG13 ILE 54 2HG1 ILE 54 1.820 4.902 -2.948 215 HG21 ILE 54 1HG2 ILE 54 3.835 3.806 0.315 216 HG22 ILE 54 2HG2 ILE 54 2.274 4.594 0.547 217 HG23 ILE 54 3HG2 ILE 54 3.762 5.530 0.677 218 HD11 ILE 54 3HD1 ILE 54 1.160 2.806 -2.678 219 HD12 ILE 54 1HD1 ILE 54 0.653 3.127 -1.019 220 HD13 ILE 54 2HD1 ILE 54 2.321 2.664 -1.357 221 H VAL 55 H VAL 55 5.933 7.009 -2.324 222 HA VAL 55 HA VAL 55 5.218 7.310 -5.155 223 HB VAL 55 HB VAL 55 7.726 8.120 -3.676 224 HG11 VAL 55 1HG1 VAL 55 7.525 9.393 -6.198 225 HG12 VAL 55 2HG1 VAL 55 7.347 7.657 -6.454 226 HG13 VAL 55 3HG1 VAL 55 8.771 8.285 -5.623 227 HG21 VAL 55 3HG2 VAL 55 5.852 10.012 -5.018 228 HG22 VAL 55 1HG2 VAL 55 6.940 10.281 -3.657 229 HG23 VAL 55 2HG2 VAL 55 5.446 9.373 -3.427 230 H LEU 56 H LEU 56 5.745 5.856 -6.632 231 HA LEU 56 HA LEU 56 7.925 3.952 -6.106 232 HB2 LEU 56 1HB LEU 56 5.166 3.205 -7.084 233 HB3 LEU 56 2HB LEU 56 6.532 2.111 -6.979 234 HG LEU 56 HG LEU 56 5.875 3.454 -4.451 235 HD11 LEU 56 1HD1 LEU 56 3.618 3.185 -5.320 236 HD12 LEU 56 2HD1 LEU 56 3.920 2.056 -3.999 237 HD13 LEU 56 3HD1 LEU 56 3.942 1.487 -5.668 238 HD21 LEU 56 3HD2 LEU 56 6.206 1.205 -3.584 239 HD22 LEU 56 1HD2 LEU 56 7.529 1.664 -4.656 240 HD23 LEU 56 2HD2 LEU 56 6.270 0.569 -5.227 241 H LYS 57 H LYS 57 8.519 2.700 -8.126 242 HA LYS 57 HA LYS 57 8.609 4.555 -10.374 243 HB2 LYS 57 1HB LYS 57 10.270 2.394 -9.372 244 HB3 LYS 57 2HB LYS 57 9.983 2.238 -11.099 245 HG2 LYS 57 1HG LYS 57 10.856 4.851 -9.942 246 HG3 LYS 57 2HG LYS 57 12.030 3.575 -10.271 247 HD2 LYS 57 1HD LYS 57 11.624 3.631 -12.569 248 HD3 LYS 57 2HD LYS 57 10.073 4.448 -12.369 249 HE2 LYS 57 1HE LYS 57 11.790 6.250 -11.263 250 HE3 LYS 57 2HE LYS 57 12.785 5.554 -12.541 251 HZ1 LYS 57 3HZ LYS 57 11.511 6.457 -14.146 252 HZ2 LYS 57 1HZ LYS 57 11.109 7.577 -12.933 253 HZ3 LYS 57 2HZ LYS 57 10.060 6.280 -13.283 254 H LYS 58 H LYS 58 8.601 3.302 -12.634 255 HA LYS 58 HA LYS 58 6.034 1.865 -12.704 256 HB2 LYS 58 1HB LYS 58 6.255 4.080 -13.913 257 HB3 LYS 58 2HB LYS 58 7.354 3.269 -15.024 258 HG2 LYS 58 1HG LYS 58 5.538 1.646 -15.534 259 HG3 LYS 58 2HG LYS 58 4.454 2.621 -14.544 260 HD2 LYS 58 1HD LYS 58 3.987 3.678 -16.467 261 HD3 LYS 58 2HD LYS 58 5.526 4.501 -16.203 262 HE2 LYS 58 1HE LYS 58 6.198 3.686 -18.162 263 HE3 LYS 58 2HE LYS 58 6.203 2.087 -17.420 264 HZ1 LYS 58 3HZ LYS 58 4.883 1.916 -19.336 265 HZ2 LYS 58 1HZ LYS 58 4.046 3.350 -19.010 266 HZ3 LYS 58 2HZ LYS 58 3.771 1.973 -18.054 267 H SER 59 H SER 59 5.741 0.069 -14.021 268 HA SER 59 HA SER 59 6.231 -1.904 -15.025 269 HB2 SER 59 1HB SER 59 7.275 -0.526 -16.780 270 HB3 SER 59 2HB SER 59 8.799 -0.550 -15.891 271 HG SER 59 HG SER 59 8.604 -2.926 -16.070 272 H VAL 60 H VAL 60 7.268 -1.140 -12.276 273 HA VAL 60 HA VAL 60 9.172 -3.373 -12.004 274 HB VAL 60 HB VAL 60 10.199 -1.102 -11.653 275 HG11 VAL 60 1HG1 VAL 60 9.734 -0.009 -9.462 276 HG12 VAL 60 2HG1 VAL 60 8.338 -1.073 -9.291 277 HG13 VAL 60 3HG1 VAL 60 8.406 0.085 -10.621 278 HG21 VAL 60 3HG2 VAL 60 11.311 -1.704 -9.493 279 HG22 VAL 60 1HG2 VAL 60 11.317 -2.980 -10.711 280 HG23 VAL 60 2HG2 VAL 60 10.183 -3.053 -9.361 281 HA PRO 61 HA PRO 61 6.097 -5.110 -9.278 282 HB2 PRO 61 1HB PRO 61 7.757 -6.808 -7.891 283 HB3 PRO 61 2HB PRO 61 7.081 -7.165 -9.482 284 HG2 PRO 61 1HG PRO 61 9.796 -6.143 -8.761 285 HG3 PRO 61 2HG PRO 61 9.334 -7.337 -9.989 286 HD2 PRO 61 1HD PRO 61 9.946 -4.786 -10.620 287 HD3 PRO 61 2HD PRO 61 8.725 -5.713 -11.517 288 H ALA 62 H ALA 62 5.300 -4.063 -7.560 289 HA ALA 62 HA ALA 62 7.183 -3.230 -5.445 290 HB1 ALA 62 3HB ALA 62 6.629 -1.200 -6.381 291 HB2 ALA 62 1HB ALA 62 5.429 -1.343 -5.095 292 HB3 ALA 62 2HB ALA 62 4.982 -1.704 -6.763 293 H ARG 63 H ARG 63 6.617 -3.621 -3.355 294 HA ARG 63 HA ARG 63 3.981 -4.845 -2.927 295 HB2 ARG 63 1HB ARG 63 4.949 -6.328 -1.269 296 HB3 ARG 63 2HB ARG 63 5.741 -6.525 -2.823 297 HG2 ARG 63 1HG ARG 63 7.244 -4.611 -1.466 298 HG3 ARG 63 2HG ARG 63 6.857 -5.856 -0.276 299 HD2 ARG 63 1HD ARG 63 7.809 -6.649 -2.988 300 HD3 ARG 63 2HD ARG 63 8.966 -6.086 -1.788 301 HE ARG 63 HE ARG 63 7.986 -7.913 -0.337 302 HH11 ARG 63 1HH1 ARG 63 8.094 -8.128 -3.800 303 HH12 ARG 63 2HH1 ARG 63 8.090 -9.856 -3.811 304 HH21 ARG 63 1HH2 ARG 63 7.988 -10.171 -0.369 305 HH22 ARG 63 2HH2 ARG 63 8.036 -11.004 -1.881 306 H ILE 64 H ILE 64 2.723 -3.973 -1.487 307 HA ILE 64 HA ILE 64 3.796 -1.856 0.248 308 HB ILE 64 HB ILE 64 0.867 -2.409 -0.103 309 HG12 ILE 64 1HG1 ILE 64 2.009 -2.259 -2.370 310 HG13 ILE 64 2HG1 ILE 64 0.731 -1.086 -2.076 311 HG21 ILE 64 1HG2 ILE 64 1.894 -0.767 1.579 312 HG22 ILE 64 2HG2 ILE 64 0.557 -0.206 0.575 313 HG23 ILE 64 3HG2 ILE 64 2.213 0.252 0.176 314 HD11 ILE 64 3HD1 ILE 64 3.330 -0.584 -2.943 315 HD12 ILE 64 1HD1 ILE 64 3.281 -0.023 -1.270 316 HD13 ILE 64 2HD1 ILE 64 2.120 0.598 -2.444 317 H VAL 65 H VAL 65 4.277 -2.435 2.277 318 HA VAL 65 HA VAL 65 3.006 -4.783 3.460 319 HB VAL 65 HB VAL 65 5.080 -3.105 4.841 320 HG11 VAL 65 1HG1 VAL 65 4.954 -4.723 6.355 321 HG12 VAL 65 2HG1 VAL 65 5.441 -5.903 5.139 322 HG13 VAL 65 3HG1 VAL 65 3.732 -5.546 5.387 323 HG21 VAL 65 3HG2 VAL 65 6.774 -3.769 3.535 324 HG22 VAL 65 1HG2 VAL 65 5.527 -4.071 2.324 325 HG23 VAL 65 2HG2 VAL 65 6.111 -5.391 3.337 326 H PHE 66 H PHE 66 1.068 -4.416 4.375 327 HA PHE 66 HA PHE 66 0.606 -1.900 5.799 328 HB2 PHE 66 1HB PHE 66 -1.226 -4.126 4.913 329 HB3 PHE 66 2HB PHE 66 -1.766 -2.820 5.965 330 HD1 PHE 66 HD2 PHE 66 -1.445 -0.424 5.099 331 HD2 PHE 66 HD1 PHE 66 -1.268 -3.871 2.612 332 HE1 PHE 66 HE2 PHE 66 -1.871 0.983 3.127 333 HE2 PHE 66 HE1 PHE 66 -1.694 -2.470 0.634 334 HZ PHE 66 HZ PHE 66 -1.994 -0.039 0.892 335 H ASP 67 H ASP 67 1.462 -1.956 7.791 336 HA ASP 67 HA ASP 67 1.216 -4.354 9.440 337 HB2 ASP 67 1HB ASP 67 3.326 -2.874 9.249 338 HB3 ASP 67 2HB ASP 67 2.468 -1.749 10.295 339 H ARG 68 H ARG 68 -0.732 -4.595 10.379 340 HA ARG 68 HA ARG 68 -2.364 -2.342 11.091 341 HB2 ARG 68 1HB ARG 68 -3.281 -4.523 10.284 342 HB3 ARG 68 2HB ARG 68 -2.801 -5.236 11.818 343 HG2 ARG 68 1HG ARG 68 -4.769 -4.635 12.639 344 HG3 ARG 68 2HG ARG 68 -4.264 -2.953 12.488 345 HD2 ARG 68 1HD ARG 68 -6.155 -2.863 11.234 346 HD3 ARG 68 2HD ARG 68 -5.021 -3.354 9.977 347 HE ARG 68 HE ARG 68 -5.884 -5.553 10.102 348 HH11 ARG 68 1HH1 ARG 68 -7.605 -3.304 12.110 349 HH12 ARG 68 2HH1 ARG 68 -8.998 -4.317 12.249 350 HH21 ARG 68 1HH2 ARG 68 -7.692 -6.862 10.288 351 HH22 ARG 68 2HH2 ARG 68 -9.055 -6.320 11.226 352 H LYS 69 H LYS 69 -1.745 -1.123 12.724 353 HA LYS 69 HA LYS 69 -0.737 -2.351 15.185 354 HB2 LYS 69 1HB LYS 69 0.680 -0.607 14.512 355 HB3 LYS 69 2HB LYS 69 -0.657 0.418 14.022 356 HG2 LYS 69 1HG LYS 69 0.266 1.377 15.969 357 HG3 LYS 69 2HG LYS 69 -1.256 0.625 16.454 358 HD2 LYS 69 1HD LYS 69 0.314 -1.431 16.954 359 HD3 LYS 69 2HD LYS 69 1.548 -0.173 17.073 360 HE2 LYS 69 1HE LYS 69 0.815 -0.274 19.250 361 HE3 LYS 69 2HE LYS 69 -0.224 0.995 18.605 362 HZ1 LYS 69 3HZ LYS 69 -1.726 -1.122 18.075 363 HZ2 LYS 69 1HZ LYS 69 -1.803 -0.289 19.555 364 HZ3 LYS 69 2HZ LYS 69 -0.900 -1.713 19.439 365 H ASP 70 H ASP 70 -3.392 -0.441 13.920 366 HA ASP 70 HA ASP 70 -4.706 -0.533 16.557 367 HB2 ASP 70 1HB ASP 70 -4.264 1.688 15.188 368 HB3 ASP 70 2HB ASP 70 -5.722 1.192 14.336 369 HA PRO 71 HA PRO 71 -7.546 -3.438 14.700 370 HB2 PRO 71 1HB PRO 71 -9.175 -3.793 16.781 371 HB3 PRO 71 2HB PRO 71 -7.493 -4.340 16.842 372 HG2 PRO 71 1HG PRO 71 -8.718 -1.853 17.984 373 HG3 PRO 71 2HG PRO 71 -7.570 -2.977 18.738 374 HD2 PRO 71 1HD PRO 71 -6.845 -0.605 17.560 375 HD3 PRO 71 2HD PRO 71 -5.765 -2.006 17.708 376 H SER 72 H SER 72 -7.968 -0.662 14.014 377 HA SER 72 HA SER 72 -10.634 0.148 14.542 378 HB2 SER 72 1HB SER 72 -9.330 1.054 12.030 379 HB3 SER 72 2HB SER 72 -10.137 1.995 13.281 380 HG SER 72 HG SER 72 -8.278 1.697 14.597 381 HA PRO 73 HA PRO 73 -12.875 -2.555 11.808 382 HB2 PRO 73 1HB PRO 73 -15.129 -1.037 11.526 383 HB3 PRO 73 2HB PRO 73 -14.783 -2.022 12.952 384 HG2 PRO 73 1HG PRO 73 -14.365 0.914 12.531 385 HG3 PRO 73 2HG PRO 73 -15.030 0.072 13.944 386 HD2 PRO 73 1HD PRO 73 -12.492 0.948 13.896 387 HD3 PRO 73 2HD PRO 73 -12.932 -0.573 14.701 388 H CYS 74 H CYS 74 -12.528 0.878 11.045 389 HA CYS 74 HA CYS 74 -13.241 0.578 8.281 390 HB2 CYS 74 1HB CYS 74 -12.092 2.948 8.227 391 HB3 CYS 74 2HB CYS 74 -13.664 2.732 8.988 392 HG CYS 74 HG CYS 74 -10.882 2.474 10.916 393 H LEU 75 H LEU 75 -10.589 -0.415 9.944 394 HA LEU 75 HA LEU 75 -8.816 -0.100 7.611 395 HB2 LEU 75 1HB LEU 75 -8.243 -0.095 10.555 396 HB3 LEU 75 2HB LEU 75 -6.991 -0.515 9.406 397 HG LEU 75 HG LEU 75 -8.503 2.085 9.267 398 HD11 LEU 75 1HD1 LEU 75 -6.040 1.362 10.821 399 HD12 LEU 75 2HD1 LEU 75 -7.484 2.211 11.371 400 HD13 LEU 75 3HD1 LEU 75 -6.352 3.012 10.280 401 HD21 LEU 75 3HD2 LEU 75 -6.270 0.832 7.804 402 HD22 LEU 75 1HD2 LEU 75 -6.072 2.537 8.210 403 HD23 LEU 75 2HD2 LEU 75 -7.465 2.011 7.264 404 H ASP 76 H ASP 76 -10.818 -2.252 8.688 405 HA ASP 76 HA ASP 76 -9.249 -4.568 9.219 406 HB2 ASP 76 1HB ASP 76 -11.816 -3.995 9.637 407 HB3 ASP 76 2HB ASP 76 -11.996 -4.828 8.096 408 H GLN 77 H GLN 77 -10.626 -3.196 6.272 409 HA GLN 77 HA GLN 77 -9.170 -5.243 4.735 410 HB2 GLN 77 1HB GLN 77 -11.983 -4.812 4.799 411 HB3 GLN 77 2HB GLN 77 -11.402 -4.304 3.220 412 HG2 GLN 77 1HG GLN 77 -10.145 -6.592 3.271 413 HG3 GLN 77 2HG GLN 77 -11.365 -7.004 4.475 414 HE21 GLN 77 2HE2 GLN 77 -13.469 -7.291 3.842 415 HE22 GLN 77 1HE2 GLN 77 -13.957 -7.353 2.187 416 H ILE 78 H ILE 78 -8.378 -4.598 2.684 417 HA ILE 78 HA ILE 78 -8.424 -1.704 2.156 418 HB ILE 78 HB ILE 78 -6.303 -2.063 3.231 419 HG12 ILE 78 1HG1 ILE 78 -5.005 -1.983 0.701 420 HG13 ILE 78 2HG1 ILE 78 -6.569 -1.197 0.521 421 HG21 ILE 78 1HG2 ILE 78 -4.624 -3.635 2.163 422 HG22 ILE 78 2HG2 ILE 78 -5.990 -4.352 1.311 423 HG23 ILE 78 3HG2 ILE 78 -5.937 -4.382 3.074 424 HD11 ILE 78 3HD1 ILE 78 -4.785 -0.488 2.805 425 HD12 ILE 78 1HD1 ILE 78 -6.051 0.467 2.032 426 HD13 ILE 78 2HD1 ILE 78 -4.516 0.201 1.204 427 H VAL 79 H VAL 79 -8.888 -1.208 0.105 428 HA VAL 79 HA VAL 79 -8.425 -3.255 -1.949 429 HB VAL 79 HB VAL 79 -10.707 -3.526 -1.728 430 HG11 VAL 79 1HG1 VAL 79 -10.962 -0.562 -1.281 431 HG12 VAL 79 2HG1 VAL 79 -11.138 -1.841 -0.080 432 HG13 VAL 79 3HG1 VAL 79 -12.316 -1.686 -1.383 433 HG21 VAL 79 3HG2 VAL 79 -10.262 -3.062 -4.046 434 HG22 VAL 79 1HG2 VAL 79 -10.397 -1.324 -3.767 435 HG23 VAL 79 2HG2 VAL 79 -11.819 -2.356 -3.613 436 H PHE 80 H PHE 80 -7.459 -2.588 -3.711 437 HA PHE 80 HA PHE 80 -6.841 0.253 -4.017 438 HB2 PHE 80 1HB PHE 80 -5.704 -2.314 -5.052 439 HB3 PHE 80 2HB PHE 80 -5.427 -0.847 -5.977 440 HD1 PHE 80 HD1 PHE 80 -5.022 -2.308 -2.589 441 HD2 PHE 80 HD2 PHE 80 -3.698 0.592 -5.406 442 HE1 PHE 80 HE1 PHE 80 -3.127 -1.757 -1.121 443 HE2 PHE 80 HE2 PHE 80 -1.799 1.151 -3.942 444 HZ PHE 80 HZ PHE 80 -1.511 -0.025 -1.797 445 HA PRO 81 HA PRO 81 -10.321 0.149 -6.964 446 HB2 PRO 81 1HB PRO 81 -10.506 2.851 -7.236 447 HB3 PRO 81 2HB PRO 81 -11.234 1.952 -5.901 448 HG2 PRO 81 1HG PRO 81 -8.675 3.495 -5.975 449 HG3 PRO 81 2HG PRO 81 -9.906 3.429 -4.701 450 HD2 PRO 81 1HD PRO 81 -7.589 2.037 -4.573 451 HD3 PRO 81 2HD PRO 81 -9.101 1.442 -3.858 452 H ASP 82 H ASP 82 -7.134 1.393 -7.335 453 HA ASP 82 HA ASP 82 -7.564 1.913 -10.187 454 HB2 ASP 82 1HB ASP 82 -5.296 2.587 -8.316 455 HB3 ASP 82 2HB ASP 82 -5.192 2.813 -10.060 456 H PHE 83 H PHE 83 -6.590 -0.616 -8.206 457 HA PHE 83 HA PHE 83 -5.052 -1.826 -10.415 458 HB2 PHE 83 1HB PHE 83 -4.622 -2.020 -7.441 459 HB3 PHE 83 2HB PHE 83 -3.967 -3.223 -8.545 460 HD1 PHE 83 HD1 PHE 83 -3.875 0.330 -7.584 461 HD2 PHE 83 HD2 PHE 83 -2.056 -2.762 -9.875 462 HE1 PHE 83 HE1 PHE 83 -1.935 1.781 -7.996 463 HE2 PHE 83 HE2 PHE 83 -0.111 -1.314 -10.290 464 HZ PHE 83 HZ PHE 83 -0.052 0.963 -9.349 465 H GLY 84 H GLY 84 -7.674 -2.177 -8.180 466 HA2 GLY 84 1HA GLY 84 -9.442 -3.690 -8.311 467 HA3 GLY 84 2HA GLY 84 -8.565 -4.570 -9.555 468 H VAL 85 H VAL 85 -7.035 -3.770 -6.557 469 HA VAL 85 HA VAL 85 -6.980 -6.624 -5.849 470 HB VAL 85 HB VAL 85 -5.073 -4.368 -5.231 471 HG11 VAL 85 1HG1 VAL 85 -4.419 -5.407 -3.387 472 HG12 VAL 85 2HG1 VAL 85 -3.974 -6.809 -4.361 473 HG13 VAL 85 3HG1 VAL 85 -5.588 -6.700 -3.659 474 HG21 VAL 85 3HG2 VAL 85 -4.777 -6.945 -6.767 475 HG22 VAL 85 1HG2 VAL 85 -3.460 -5.829 -6.407 476 HG23 VAL 85 2HG2 VAL 85 -4.800 -5.310 -7.429 477 H HIS 86 H HIS 86 -8.249 -7.220 -4.218 478 HA HIS 86 HA HIS 86 -8.719 -5.315 -2.010 479 HB2 HIS 86 1HB HIS 86 -10.910 -6.713 -1.717 480 HB3 HIS 86 2HB HIS 86 -10.845 -5.451 -2.939 481 HD1 HIS 86 HD1 HIS 86 -9.892 -9.151 -2.986 482 HD2 HIS 86 HD2 HIS 86 -12.109 -6.366 -5.137 483 HE1 HIS 86 HE1 HIS 86 -10.847 -10.413 -4.944 484 H ALA 87 H ALA 87 -7.828 -5.975 -0.154 485 HA ALA 87 HA ALA 87 -7.809 -8.852 0.459 486 HB1 ALA 87 3HB ALA 87 -5.462 -8.597 1.329 487 HB2 ALA 87 1HB ALA 87 -5.406 -7.042 0.500 488 HB3 ALA 87 2HB ALA 87 -5.634 -8.527 -0.424 489 H ASN 88 H ASN 88 -7.321 -9.325 2.738 490 HA ASN 88 HA ASN 88 -8.426 -7.239 4.489 491 HB2 ASN 88 1HB ASN 88 -8.933 -9.116 6.046 492 HB3 ASN 88 2HB ASN 88 -9.737 -9.274 4.489 493 HD21 ASN 88 2HD2 ASN 88 -8.151 -10.939 6.788 494 HD22 ASN 88 1HD2 ASN 88 -7.539 -12.249 5.845 495 H LEU 89 H LEU 89 -7.445 -6.765 6.498 496 HA LEU 89 HA LEU 89 -4.599 -7.511 6.586 497 HB2 LEU 89 1HB LEU 89 -5.893 -5.173 7.978 498 HB3 LEU 89 2HB LEU 89 -4.179 -5.478 7.780 499 HG LEU 89 HG LEU 89 -6.066 -4.887 5.501 500 HD11 LEU 89 1HD1 LEU 89 -4.826 -2.692 5.469 501 HD12 LEU 89 2HD1 LEU 89 -4.233 -3.101 7.079 502 HD13 LEU 89 3HD1 LEU 89 -5.964 -2.912 6.798 503 HD21 LEU 89 3HD2 LEU 89 -3.117 -5.352 5.717 504 HD22 LEU 89 1HD2 LEU 89 -3.785 -4.361 4.419 505 HD23 LEU 89 2HD2 LEU 89 -4.277 -6.047 4.584 506 HA PRO 90 HA PRO 90 -5.541 -9.664 10.374 507 HB2 PRO 90 1HB PRO 90 -3.071 -10.614 10.856 508 HB3 PRO 90 2HB PRO 90 -4.080 -11.249 9.554 509 HG2 PRO 90 1HG PRO 90 -1.769 -9.374 9.417 510 HG3 PRO 90 2HG PRO 90 -2.252 -10.647 8.286 511 HD2 PRO 90 1HD PRO 90 -2.754 -7.930 7.974 512 HD3 PRO 90 2HD PRO 90 -3.598 -9.237 7.123 513 H MET 91 H MET 91 -5.758 -8.835 12.364 514 HA MET 91 HA MET 91 -4.435 -6.476 13.184 515 HB2 MET 91 1HB MET 91 -6.671 -6.989 13.961 516 HB3 MET 91 2HB MET 91 -6.095 -8.447 14.758 517 HG2 MET 91 1HG MET 91 -6.515 -6.560 16.297 518 HG3 MET 91 2HG MET 91 -4.865 -7.172 16.355 519 HE1 MET 91 3HE MET 91 -3.181 -5.390 16.954 520 HE2 MET 91 1HE MET 91 -4.631 -4.822 17.783 521 HE3 MET 91 2HE MET 91 -3.615 -3.681 16.900 522 H GLY 92 H GLY 92 -2.545 -6.175 14.144 523 HA2 GLY 92 1HA GLY 92 -0.810 -6.574 15.665 524 HA3 GLY 92 2HA GLY 92 -1.423 -8.200 15.909 525 H GLU 93 H GLU 93 -1.317 -7.714 12.649 526 HA GLU 93 HA GLU 93 1.475 -8.588 12.388 527 HB2 GLU 93 1HB GLU 93 -0.903 -9.914 11.071 528 HB3 GLU 93 2HB GLU 93 0.780 -10.301 10.745 529 HG2 GLU 93 1HG GLU 93 1.081 -11.127 12.973 530 HG3 GLU 93 2HG GLU 93 -0.529 -10.576 13.439 531 H GLU 94 H GLU 94 1.956 -8.747 9.865 532 HA GLU 94 HA GLU 94 0.858 -6.298 8.655 533 HB2 GLU 94 1HB GLU 94 3.088 -6.127 7.464 534 HB3 GLU 94 2HB GLU 94 3.103 -5.797 9.189 535 HG2 GLU 94 1HG GLU 94 3.649 -8.452 9.157 536 HG3 GLU 94 2HG GLU 94 4.410 -7.922 7.658 537 H TYR 95 H TYR 95 0.063 -6.388 6.665 538 HA TYR 95 HA TYR 95 0.297 -8.935 5.194 539 HB2 TYR 95 1HB TYR 95 -1.998 -8.020 6.081 540 HB3 TYR 95 2HB TYR 95 -1.899 -6.952 4.687 541 HD1 TYR 95 HD1 TYR 95 -2.052 -10.493 5.738 542 HD2 TYR 95 HD2 TYR 95 -2.360 -7.753 2.496 543 HE1 TYR 95 HE1 TYR 95 -2.969 -12.280 4.321 544 HE2 TYR 95 HE2 TYR 95 -3.276 -9.534 1.071 545 HH TYR 95 HH TYR 95 -4.641 -12.077 1.953 546 H VAL 96 H VAL 96 1.391 -8.859 3.327 547 HA VAL 96 HA VAL 96 1.997 -6.225 2.220 548 HB VAL 96 HB VAL 96 3.795 -8.003 2.798 549 HG11 VAL 96 1HG1 VAL 96 2.402 -9.503 0.932 550 HG12 VAL 96 2HG1 VAL 96 4.009 -9.846 1.572 551 HG13 VAL 96 3HG1 VAL 96 3.834 -8.949 0.064 552 HG21 VAL 96 3HG2 VAL 96 4.549 -6.030 1.861 553 HG22 VAL 96 1HG2 VAL 96 3.669 -6.288 0.354 554 HG23 VAL 96 2HG2 VAL 96 5.109 -7.243 0.709 555 H VAL 97 H VAL 97 1.393 -5.533 0.285 556 HA VAL 97 HA VAL 97 -0.210 -7.350 -1.398 557 HB VAL 97 HB VAL 97 -0.383 -4.348 -1.070 558 HG11 VAL 97 1HG1 VAL 97 -0.650 -5.059 -3.451 559 HG12 VAL 97 2HG1 VAL 97 -2.082 -4.298 -2.760 560 HG13 VAL 97 3HG1 VAL 97 -2.018 -6.050 -2.947 561 HG21 VAL 97 3HG2 VAL 97 -2.077 -6.667 -0.264 562 HG22 VAL 97 1HG2 VAL 97 -2.834 -5.109 -0.595 563 HG23 VAL 97 2HG2 VAL 97 -1.606 -5.243 0.664 564 H GLU 98 H GLU 98 0.977 -8.067 -3.043 565 HA GLU 98 HA GLU 98 3.096 -6.402 -4.160 566 HB2 GLU 98 1HB GLU 98 2.414 -9.299 -4.251 567 HB3 GLU 98 2HB GLU 98 3.314 -8.631 -5.606 568 HG2 GLU 98 1HG GLU 98 5.162 -8.139 -4.313 569 HG3 GLU 98 2HG GLU 98 4.231 -8.110 -2.815 570 H ILE 99 H ILE 99 2.697 -5.103 -5.806 571 HA ILE 99 HA ILE 99 0.779 -5.963 -7.876 572 HB ILE 99 HB ILE 99 0.427 -3.313 -8.044 573 HG12 ILE 99 1HG1 ILE 99 0.727 -3.808 -5.072 574 HG13 ILE 99 2HG1 ILE 99 1.880 -2.908 -6.050 575 HG21 ILE 99 1HG2 ILE 99 -1.061 -5.221 -6.249 576 HG22 ILE 99 2HG2 ILE 99 -1.367 -4.898 -7.956 577 HG23 ILE 99 3HG2 ILE 99 -1.672 -3.644 -6.753 578 HD11 ILE 99 3HD1 ILE 99 -0.471 -1.642 -6.619 579 HD12 ILE 99 1HD1 ILE 99 0.715 -1.119 -5.423 580 HD13 ILE 99 2HD1 ILE 99 -0.675 -2.083 -4.923 581 H THR 100 H THR 100 1.039 -4.693 -9.933 582 HA THR 100 HA THR 100 3.839 -3.871 -10.329 583 HB THR 100 HB THR 100 2.275 -5.365 -12.428 584 HG1 THR 100 HG1 THR 100 3.780 -6.333 -10.254 585 HG21 THR 100 3HG2 THR 100 5.257 -5.147 -12.099 586 HG22 THR 100 1HG2 THR 100 4.324 -3.940 -12.981 587 HG23 THR 100 2HG2 THR 100 4.342 -5.615 -13.532 588 HA PRO 101 HA PRO 101 1.320 -0.377 -11.847 589 HB2 PRO 101 1HB PRO 101 3.214 1.501 -11.411 590 HB3 PRO 101 2HB PRO 101 2.183 0.878 -10.117 591 HG2 PRO 101 1HG PRO 101 4.989 0.109 -10.836 592 HG3 PRO 101 2HG PRO 101 4.298 0.431 -9.236 593 HD2 PRO 101 1HD PRO 101 4.664 -2.073 -10.180 594 HD3 PRO 101 2HD PRO 101 3.322 -1.652 -9.097 595 H GLU 102 H GLU 102 1.299 -0.932 -14.038 596 HA GLU 102 HA GLU 102 3.746 -0.542 -15.590 597 HB2 GLU 102 1HB GLU 102 1.050 -1.640 -16.393 598 HB3 GLU 102 2HB GLU 102 2.441 -1.522 -17.460 599 HG2 GLU 102 1HG GLU 102 3.433 -3.332 -16.580 600 HG3 GLU 102 2HG GLU 102 2.940 -2.931 -14.936 601 H GLN 103 H GLN 103 1.588 1.521 -14.477 602 HA GLN 103 HA GLN 103 1.761 3.230 -16.851 603 HB2 GLN 103 1HB GLN 103 -0.654 2.107 -15.810 604 HB3 GLN 103 2HB GLN 103 -0.685 3.844 -15.536 605 HG2 GLN 103 1HG GLN 103 -1.423 4.031 -17.619 606 HG3 GLN 103 2HG GLN 103 0.211 3.620 -18.135 607 HE21 GLN 103 2HE2 GLN 103 0.656 1.258 -18.341 608 HE22 GLN 103 1HE2 GLN 103 -0.609 0.269 -18.982 609 H ALA 104 H ALA 104 2.435 5.240 -16.411 610 HA ALA 104 HA ALA 104 2.992 5.939 -13.654 611 HB1 ALA 104 3HB ALA 104 4.734 6.973 -14.558 612 HB2 ALA 104 1HB ALA 104 3.656 8.057 -15.437 613 HB3 ALA 104 2HB ALA 104 4.156 6.530 -16.165 614 H GLY 105 H GLY 105 1.760 7.187 -12.423 615 HA2 GLY 105 1HA GLY 105 0.475 9.529 -13.149 616 HA3 GLY 105 2HA GLY 105 -0.704 8.246 -13.373 617 H GLU 106 H GLU 106 -1.834 9.572 -11.731 618 HA GLU 106 HA GLU 106 -0.861 9.167 -9.003 619 HB2 GLU 106 1HB GLU 106 -2.437 11.193 -10.320 620 HB3 GLU 106 2HB GLU 106 -3.309 10.547 -8.936 621 HG2 GLU 106 1HG GLU 106 -1.467 11.077 -7.474 622 HG3 GLU 106 2HG GLU 106 -0.496 11.614 -8.844 623 H PHE 107 H PHE 107 -1.473 7.407 -7.991 624 HA PHE 107 HA PHE 107 -4.086 6.204 -8.645 625 HB2 PHE 107 1HB PHE 107 -1.536 4.942 -7.617 626 HB3 PHE 107 2HB PHE 107 -3.066 4.082 -7.732 627 HD1 PHE 107 HD2 PHE 107 -3.903 5.445 -10.397 628 HD2 PHE 107 HD1 PHE 107 -0.334 3.523 -9.101 629 HE1 PHE 107 HE2 PHE 107 -3.386 4.848 -12.722 630 HE2 PHE 107 HE1 PHE 107 0.189 2.926 -11.427 631 HZ PHE 107 HZ PHE 107 -1.337 3.586 -13.241 632 H SER 108 H SER 108 -4.871 4.796 -6.625 633 HA SER 108 HA SER 108 -4.311 6.104 -4.096 634 HB2 SER 108 1HB SER 108 -6.632 6.791 -3.701 635 HB3 SER 108 2HB SER 108 -5.972 7.602 -5.121 636 HG SER 108 HG SER 108 -7.004 5.757 -6.310 637 H PHE 109 H PHE 109 -5.525 5.173 -2.293 638 HA PHE 109 HA PHE 109 -6.811 2.606 -2.706 639 HB2 PHE 109 1HB PHE 109 -5.315 1.442 -1.077 640 HB3 PHE 109 2HB PHE 109 -4.528 1.854 -2.593 641 HD1 PHE 109 HD2 PHE 109 -2.875 3.687 -2.666 642 HD2 PHE 109 HD1 PHE 109 -4.586 2.352 0.995 643 HE1 PHE 109 HE2 PHE 109 -1.068 4.795 -1.419 644 HE2 PHE 109 HE1 PHE 109 -2.779 3.455 2.246 645 HZ PHE 109 HZ PHE 109 -1.017 4.679 1.039 646 H ALA 110 H ALA 110 -8.285 2.127 -1.127 647 HA ALA 110 HA ALA 110 -8.208 3.358 1.469 648 HB1 ALA 110 3HB ALA 110 -10.678 4.291 0.774 649 HB2 ALA 110 1HB ALA 110 -9.738 4.613 -0.685 650 HB3 ALA 110 2HB ALA 110 -9.213 5.268 0.866 651 H CYS 111 H CYS 111 -10.512 3.013 2.551 652 HA CYS 111 HA CYS 111 -11.384 0.293 1.825 653 HB2 CYS 111 1HB CYS 111 -10.252 0.273 3.965 654 HB3 CYS 111 2HB CYS 111 -11.247 1.602 4.548 655 HG CYS 111 HG CYS 111 -13.496 -0.441 3.812 656 H GLY 112 H GLY 112 -13.456 0.021 1.294 657 HA2 GLY 112 1HA GLY 112 -15.775 0.332 1.404 658 HA3 GLY 112 2HA GLY 112 -15.513 1.774 2.370 659 H MET 113 H MET 113 -15.979 3.633 1.411 660 HA MET 113 HA MET 113 -15.564 3.902 -1.479 661 HB2 MET 113 1HB MET 113 -18.131 3.861 -0.115 662 HB3 MET 113 2HB MET 113 -17.888 5.360 -1.001 663 HG2 MET 113 1HG MET 113 -17.482 4.127 -3.041 664 HG3 MET 113 2HG MET 113 -17.621 2.601 -2.172 665 HE1 MET 113 3HE MET 113 -19.721 2.001 -0.767 666 HE2 MET 113 1HE MET 113 -19.923 1.252 -2.351 667 HE3 MET 113 2HE MET 113 -21.285 2.063 -1.579 668 H ASN 114 H ASN 114 -17.329 6.192 0.509 669 HA ASN 114 HA ASN 114 -15.286 8.194 -0.015 670 HB2 ASN 114 1HB ASN 114 -17.035 9.698 1.165 671 HB3 ASN 114 2HB ASN 114 -17.420 9.056 -0.427 672 HD21 ASN 114 2HD2 ASN 114 -18.333 9.237 2.832 673 HD22 ASN 114 1HD2 ASN 114 -19.701 8.186 2.751 674 H MET 115 H MET 115 -13.983 6.635 1.548 675 HA MET 115 HA MET 115 -13.818 8.059 4.080 676 HB2 MET 115 1HB MET 115 -15.174 5.630 3.972 677 HB3 MET 115 2HB MET 115 -13.572 5.197 4.553 678 HG2 MET 115 1HG MET 115 -14.442 7.515 5.953 679 HG3 MET 115 2HG MET 115 -15.727 6.309 5.998 680 HE1 MET 115 3HE MET 115 -12.431 7.503 7.465 681 HE2 MET 115 1HE MET 115 -12.541 6.536 8.936 682 HE3 MET 115 2HE MET 115 -13.893 7.559 8.449 683 H MET 116 H MET 116 -11.861 7.400 5.326 684 HA MET 116 HA MET 116 -9.629 7.084 5.537 685 HB2 MET 116 1HB MET 116 -9.951 5.267 3.144 686 HB3 MET 116 2HB MET 116 -8.516 5.367 4.155 687 HG2 MET 116 1HG MET 116 -11.222 4.284 4.842 688 HG3 MET 116 2HG MET 116 -9.657 3.477 4.910 689 HE1 MET 116 3HE MET 116 -7.900 5.875 7.144 690 HE2 MET 116 1HE MET 116 -7.787 4.440 6.126 691 HE3 MET 116 2HE MET 116 -7.976 4.270 7.871 692 H HIS 117 H HIS 117 -7.471 7.063 4.030 693 HA HIS 117 HA HIS 117 -7.653 8.815 1.752 694 HB2 HIS 117 1HB HIS 117 -7.295 9.958 4.360 695 HB3 HIS 117 2HB HIS 117 -5.826 10.197 3.420 696 HD1 HIS 117 HD1 HIS 117 -9.491 10.404 2.396 697 HD2 HIS 117 HD2 HIS 117 -6.022 12.701 2.411 698 HE1 HIS 117 HE1 HIS 117 -10.100 12.561 1.246 699 H GLY 118 H GLY 118 -6.376 7.610 0.478 700 HA2 GLY 118 1HA GLY 118 -3.564 7.321 1.258 701 HA3 GLY 118 2HA GLY 118 -4.443 5.865 0.810 702 H LYS 119 H LYS 119 -2.325 8.044 -0.359 703 HA LYS 119 HA LYS 119 -3.354 7.772 -3.114 704 HB2 LYS 119 1HB LYS 119 -3.146 10.124 -1.936 705 HB3 LYS 119 2HB LYS 119 -1.459 9.959 -2.395 706 HG2 LYS 119 1HG LYS 119 -2.442 9.429 -4.749 707 HG3 LYS 119 2HG LYS 119 -3.873 10.245 -4.119 708 HD2 LYS 119 1HD LYS 119 -1.190 11.531 -3.835 709 HD3 LYS 119 2HD LYS 119 -2.031 11.603 -5.384 710 HE2 LYS 119 1HE LYS 119 -3.592 12.297 -2.963 711 HE3 LYS 119 2HE LYS 119 -2.353 13.442 -3.476 712 HZ1 LYS 119 3HZ LYS 119 -3.450 13.174 -5.784 713 HZ2 LYS 119 1HZ LYS 119 -4.214 14.144 -4.616 714 HZ3 LYS 119 2HZ LYS 119 -4.778 12.577 -4.908 715 H MET 120 H MET 120 -1.863 7.401 -4.778 716 HA MET 120 HA MET 120 0.869 6.665 -3.961 717 HB2 MET 120 1HB MET 120 -0.558 4.625 -4.093 718 HB3 MET 120 2HB MET 120 -0.891 5.004 -5.774 719 HG2 MET 120 1HG MET 120 1.859 5.043 -5.649 720 HG3 MET 120 2HG MET 120 1.414 3.716 -4.578 721 HE1 MET 120 3HE MET 120 -0.684 1.832 -5.670 722 HE2 MET 120 1HE MET 120 0.994 1.556 -5.200 723 HE3 MET 120 2HE MET 120 0.395 0.934 -6.739 724 H ILE 121 H ILE 121 2.448 7.263 -5.390 725 HA ILE 121 HA ILE 121 1.530 8.349 -7.980 726 HB ILE 121 HB ILE 121 3.749 9.423 -6.227 727 HG12 ILE 121 1HG1 ILE 121 2.118 11.519 -6.772 728 HG13 ILE 121 2HG1 ILE 121 0.945 10.208 -6.775 729 HG21 ILE 121 1HG2 ILE 121 4.003 11.160 -7.976 730 HG22 ILE 121 2HG2 ILE 121 2.895 10.247 -9.001 731 HG23 ILE 121 3HG2 ILE 121 4.445 9.546 -8.535 732 HD11 ILE 121 3HD1 ILE 121 2.869 10.583 -4.512 733 HD12 ILE 121 1HD1 ILE 121 1.346 9.692 -4.539 734 HD13 ILE 121 2HD1 ILE 121 1.337 11.455 -4.593 735 H VAL 122 H VAL 122 2.255 7.234 -9.646 736 HA VAL 122 HA VAL 122 4.700 5.634 -9.332 737 HB VAL 122 HB VAL 122 2.425 5.397 -11.308 738 HG11 VAL 122 1HG1 VAL 122 3.520 3.668 -12.408 739 HG12 VAL 122 2HG1 VAL 122 4.681 3.438 -11.101 740 HG13 VAL 122 3HG1 VAL 122 4.806 4.847 -12.154 741 HG21 VAL 122 3HG2 VAL 122 1.876 4.579 -9.102 742 HG22 VAL 122 1HG2 VAL 122 3.358 3.624 -9.055 743 HG23 VAL 122 2HG2 VAL 122 2.085 3.217 -10.204 744 H GLU 123 H GLU 123 6.511 6.315 -10.246 745 HA GLU 123 HA GLU 123 6.453 8.518 -12.137 746 HB2 GLU 123 1HB GLU 123 8.235 7.656 -10.162 747 HB3 GLU 123 2HB GLU 123 9.079 7.379 -11.679 748 HG2 GLU 123 1HG GLU 123 8.179 9.851 -12.143 749 HG3 GLU 123 2HG GLU 123 8.279 9.910 -10.384 Start of MODEL 2 1 HA2 GLY 26 1HA GLY 26 8.411 19.658 4.089 2 HA3 GLY 26 2HA GLY 26 9.573 19.082 5.275 3 H ALA 27 H ALA 27 6.880 17.375 5.854 4 HA ALA 27 HA ALA 27 7.918 15.014 4.535 5 HB1 ALA 27 3HB ALA 27 5.727 15.496 6.524 6 HB2 ALA 27 1HB ALA 27 7.226 14.588 6.721 7 HB3 ALA 27 2HB ALA 27 5.920 13.931 5.732 8 H MET 28 H MET 28 7.467 16.022 2.369 9 HA MET 28 HA MET 28 4.713 16.089 1.500 10 HB2 MET 28 1HB MET 28 7.339 16.799 0.365 11 HB3 MET 28 2HB MET 28 6.160 16.215 -0.800 12 HG2 MET 28 1HG MET 28 4.853 18.042 -0.604 13 HG3 MET 28 2HG MET 28 5.204 18.246 1.110 14 HE1 MET 28 3HE MET 28 6.871 19.348 2.123 15 HE2 MET 28 1HE MET 28 6.373 20.916 1.490 16 HE3 MET 28 2HE MET 28 8.071 20.444 1.441 17 H GLY 29 H GLY 29 4.607 13.722 2.322 18 HA2 GLY 29 1HA GLY 29 3.816 11.699 1.378 19 HA3 GLY 29 2HA GLY 29 4.767 12.026 -0.061 20 H GLN 30 H GLN 30 5.225 9.668 0.324 21 HA GLN 30 HA GLN 30 7.746 9.476 1.815 22 HB2 GLN 30 1HB GLN 30 5.294 8.226 2.607 23 HB3 GLN 30 2HB GLN 30 6.434 6.980 2.121 24 HG2 GLN 30 1HG GLN 30 7.316 7.121 4.145 25 HG3 GLN 30 2HG GLN 30 7.929 8.713 3.696 26 HE21 GLN 30 2HE2 GLN 30 6.397 10.539 4.045 27 HE22 GLN 30 1HE2 GLN 30 5.407 10.483 5.464 28 H LYS 31 H LYS 31 9.296 8.538 0.660 29 HA LYS 31 HA LYS 31 8.609 7.320 -1.894 30 HB2 LYS 31 1HB LYS 31 10.573 9.049 -1.238 31 HB3 LYS 31 2HB LYS 31 11.443 7.533 -1.052 32 HG2 LYS 31 1HG LYS 31 10.828 6.924 -3.350 33 HG3 LYS 31 2HG LYS 31 10.017 8.480 -3.529 34 HD2 LYS 31 1HD LYS 31 12.731 8.766 -2.542 35 HD3 LYS 31 2HD LYS 31 12.675 7.926 -4.093 36 HE2 LYS 31 1HE LYS 31 11.464 9.734 -5.098 37 HE3 LYS 31 2HE LYS 31 11.275 10.537 -3.540 38 HZ1 LYS 31 3HZ LYS 31 13.267 10.983 -5.347 39 HZ2 LYS 31 1HZ LYS 31 14.016 10.019 -4.174 40 HZ3 LYS 31 2HZ LYS 31 13.269 11.470 -3.728 41 H ALA 32 H ALA 32 8.589 5.189 -2.235 42 HA ALA 32 HA ALA 32 9.105 3.357 -0.116 43 HB1 ALA 32 3HB ALA 32 8.495 2.915 -3.032 44 HB2 ALA 32 1HB ALA 32 7.365 2.851 -1.677 45 HB3 ALA 32 2HB ALA 32 8.623 1.621 -1.839 46 H GLN 33 H GLN 33 10.661 1.657 -0.064 47 HA GLN 33 HA GLN 33 13.246 2.521 -1.025 48 HB2 GLN 33 1HB GLN 33 14.167 0.784 0.359 49 HB3 GLN 33 2HB GLN 33 12.930 1.632 1.270 50 HG2 GLN 33 1HG GLN 33 11.367 -0.254 0.513 51 HG3 GLN 33 2HG GLN 33 12.844 -1.117 0.090 52 HE21 GLN 33 2HE2 GLN 33 10.891 0.139 2.659 53 HE22 GLN 33 1HE2 GLN 33 11.703 -0.673 3.949 54 H GLN 34 H GLN 34 14.528 1.557 -2.521 55 HA GLN 34 HA GLN 34 13.226 -0.377 -4.287 56 HB2 GLN 34 1HB GLN 34 15.857 1.030 -4.753 57 HB3 GLN 34 2HB GLN 34 14.828 0.247 -5.946 58 HG2 GLN 34 1HG GLN 34 14.036 2.274 -6.384 59 HG3 GLN 34 2HG GLN 34 13.174 2.152 -4.849 60 HE21 GLN 34 2HE2 GLN 34 14.875 4.220 -6.560 61 HE22 GLN 34 1HE2 GLN 34 15.700 5.089 -5.317 62 H LYS 35 H LYS 35 13.583 -2.452 -3.889 63 HA LYS 35 HA LYS 35 16.034 -3.286 -2.539 64 HB2 LYS 35 1HB LYS 35 13.663 -4.995 -3.299 65 HB3 LYS 35 2HB LYS 35 14.924 -5.378 -2.137 66 HG2 LYS 35 1HG LYS 35 13.252 -2.956 -1.692 67 HG3 LYS 35 2HG LYS 35 12.569 -4.548 -1.352 68 HD2 LYS 35 1HD LYS 35 15.120 -4.586 -0.213 69 HD3 LYS 35 2HD LYS 35 14.466 -2.993 0.174 70 HE2 LYS 35 1HE LYS 35 12.329 -4.347 0.820 71 HE3 LYS 35 2HE LYS 35 13.455 -5.700 0.937 72 HZ1 LYS 35 3HZ LYS 35 13.712 -3.114 2.401 73 HZ2 LYS 35 1HZ LYS 35 14.751 -4.452 2.535 74 HZ3 LYS 35 2HZ LYS 35 13.150 -4.575 3.065 75 H ASN 36 H ASN 36 15.725 -6.037 -3.685 76 HA ASN 36 HA ASN 36 17.517 -5.656 -5.913 77 HB2 ASN 36 1HB ASN 36 17.555 -7.484 -4.027 78 HB3 ASN 36 2HB ASN 36 16.469 -8.341 -5.116 79 HD21 ASN 36 2HD2 ASN 36 17.229 -8.885 -7.212 80 HD22 ASN 36 1HD2 ASN 36 18.923 -9.059 -7.511 81 H GLY 37 H GLY 37 15.793 -4.562 -7.237 82 HA2 GLY 37 1HA GLY 37 14.870 -4.897 -9.394 83 HA3 GLY 37 2HA GLY 37 14.590 -6.580 -8.989 84 H TYR 38 H TYR 38 13.476 -5.048 -6.365 85 HA TYR 38 HA TYR 38 10.877 -4.309 -7.484 86 HB2 TYR 38 1HB TYR 38 9.648 -5.726 -5.941 87 HB3 TYR 38 2HB TYR 38 10.736 -6.716 -6.904 88 HD1 TYR 38 HD2 TYR 38 12.875 -7.551 -5.842 89 HD2 TYR 38 HD1 TYR 38 9.767 -5.718 -3.586 90 HE1 TYR 38 HE2 TYR 38 13.794 -8.535 -3.785 91 HE2 TYR 38 HE1 TYR 38 10.679 -6.697 -1.525 92 HH TYR 38 HH TYR 38 12.119 -8.243 -0.701 93 H GLN 39 H GLN 39 9.484 -3.178 -5.893 94 HA GLN 39 HA GLN 39 11.169 -1.730 -3.954 95 HB2 GLN 39 1HB GLN 39 8.551 -0.584 -4.723 96 HB3 GLN 39 2HB GLN 39 10.075 0.218 -4.394 97 HG2 GLN 39 1HG GLN 39 10.399 -1.301 -6.760 98 HG3 GLN 39 2HG GLN 39 8.893 -0.395 -6.897 99 HE21 GLN 39 2HE2 GLN 39 9.454 1.899 -5.563 100 HE22 GLN 39 1HE2 GLN 39 10.728 2.754 -6.355 101 H GLU 40 H GLU 40 10.219 -1.047 -1.955 102 HA GLU 40 HA GLU 40 7.829 -2.482 -1.076 103 HB2 GLU 40 1HB GLU 40 9.860 -3.929 -0.672 104 HB3 GLU 40 2HB GLU 40 10.421 -2.706 0.458 105 HG2 GLU 40 1HG GLU 40 7.976 -3.115 1.455 106 HG3 GLU 40 2HG GLU 40 8.250 -4.690 0.719 107 H ILE 41 H ILE 41 6.733 -1.488 0.578 108 HA ILE 41 HA ILE 41 7.991 0.756 1.965 109 HB ILE 41 HB ILE 41 7.019 1.969 0.190 110 HG12 ILE 41 1HG1 ILE 41 4.676 2.612 1.624 111 HG13 ILE 41 2HG1 ILE 41 5.868 2.136 2.824 112 HG21 ILE 41 1HG2 ILE 41 4.265 1.369 0.224 113 HG22 ILE 41 2HG2 ILE 41 5.132 -0.165 0.133 114 HG23 ILE 41 3HG2 ILE 41 5.429 1.086 -1.072 115 HD11 ILE 41 3HD1 ILE 41 7.445 3.769 1.750 116 HD12 ILE 41 1HD1 ILE 41 6.043 4.475 2.557 117 HD13 ILE 41 2HD1 ILE 41 6.075 4.344 0.797 118 H ARG 42 H ARG 42 7.467 0.821 4.055 119 HA ARG 42 HA ARG 42 5.455 -1.027 5.047 120 HB2 ARG 42 1HB ARG 42 7.947 -0.253 5.973 121 HB3 ARG 42 2HB ARG 42 6.836 0.585 7.049 122 HG2 ARG 42 1HG ARG 42 6.087 -1.333 8.000 123 HG3 ARG 42 2HG ARG 42 6.301 -2.279 6.526 124 HD2 ARG 42 1HD ARG 42 8.782 -2.092 6.897 125 HD3 ARG 42 2HD ARG 42 8.418 -1.404 8.479 126 HE ARG 42 HE ARG 42 7.022 -3.736 8.442 127 HH11 ARG 42 1HH1 ARG 42 10.346 -2.910 7.909 128 HH12 ARG 42 2HH1 ARG 42 10.942 -4.428 8.484 129 HH21 ARG 42 1HH2 ARG 42 7.801 -5.720 9.193 130 HH22 ARG 42 2HH2 ARG 42 9.512 -6.008 9.205 131 H VAL 43 H VAL 43 3.444 -0.287 5.021 132 HA VAL 43 HA VAL 43 2.906 2.520 5.690 133 HB VAL 43 HB VAL 43 1.015 0.428 4.581 134 HG11 VAL 43 1HG1 VAL 43 -0.639 1.923 4.716 135 HG12 VAL 43 2HG1 VAL 43 0.387 3.229 4.121 136 HG13 VAL 43 3HG1 VAL 43 0.401 2.806 5.835 137 HG21 VAL 43 3HG2 VAL 43 2.383 2.694 3.141 138 HG22 VAL 43 1HG2 VAL 43 1.309 1.485 2.439 139 HG23 VAL 43 2HG2 VAL 43 2.889 1.006 3.061 140 H GLU 44 H GLU 44 2.848 2.764 7.831 141 HA GLU 44 HA GLU 44 1.865 0.788 9.639 142 HB2 GLU 44 1HB GLU 44 3.552 2.820 9.960 143 HB3 GLU 44 2HB GLU 44 2.085 3.639 10.472 144 HG2 GLU 44 1HG GLU 44 2.630 2.838 12.484 145 HG3 GLU 44 2HG GLU 44 1.885 1.355 11.891 146 H VAL 45 H VAL 45 -0.173 0.319 10.009 147 HA VAL 45 HA VAL 45 -2.257 2.275 9.362 148 HB VAL 45 HB VAL 45 -2.290 -0.727 9.635 149 HG11 VAL 45 1HG1 VAL 45 -4.654 1.113 9.341 150 HG12 VAL 45 2HG1 VAL 45 -4.325 0.006 10.675 151 HG13 VAL 45 3HG1 VAL 45 -4.698 -0.630 9.072 152 HG21 VAL 45 3HG2 VAL 45 -3.352 0.789 7.309 153 HG22 VAL 45 1HG2 VAL 45 -2.587 -0.799 7.368 154 HG23 VAL 45 2HG2 VAL 45 -1.604 0.658 7.510 155 H MET 46 H MET 46 -2.491 3.529 11.125 156 HA MET 46 HA MET 46 -3.568 2.256 13.527 157 HB2 MET 46 1HB MET 46 -2.249 3.987 14.896 158 HB3 MET 46 2HB MET 46 -1.371 2.594 14.286 159 HG2 MET 46 1HG MET 46 -0.363 3.864 12.567 160 HG3 MET 46 2HG MET 46 -1.438 5.226 12.856 161 HE1 MET 46 3HE MET 46 1.485 3.519 15.768 162 HE2 MET 46 1HE MET 46 2.395 4.002 14.337 163 HE3 MET 46 2HE MET 46 1.039 2.885 14.183 164 H GLY 47 H GLY 47 -5.596 2.989 12.800 165 HA2 GLY 47 1HA GLY 47 -7.340 4.526 13.121 166 HA3 GLY 47 2HA GLY 47 -6.143 5.780 13.437 167 H GLY 48 H GLY 48 -4.788 4.621 10.914 168 HA2 GLY 48 1HA GLY 48 -6.372 5.056 8.658 169 HA3 GLY 48 2HA GLY 48 -5.634 6.592 9.090 170 H TYR 49 H TYR 49 -4.391 6.590 7.161 171 HA TYR 49 HA TYR 49 -2.312 4.515 7.000 172 HB2 TYR 49 1HB TYR 49 -3.135 6.539 4.904 173 HB3 TYR 49 2HB TYR 49 -1.994 5.218 4.681 174 HD1 TYR 49 HD2 TYR 49 -2.957 2.816 5.143 175 HD2 TYR 49 HD1 TYR 49 -5.351 6.231 4.303 176 HE1 TYR 49 HE2 TYR 49 -4.805 1.345 4.456 177 HE2 TYR 49 HE1 TYR 49 -7.205 4.771 3.615 178 HH TYR 49 HH TYR 49 -7.414 1.593 4.349 179 H THR 50 H THR 50 -0.244 5.003 7.500 180 HA THR 50 HA THR 50 0.387 7.584 8.518 181 HB THR 50 HB THR 50 2.153 5.193 7.990 182 HG1 THR 50 HG1 THR 50 0.776 4.878 9.716 183 HG21 THR 50 3HG2 THR 50 2.912 7.690 9.506 184 HG22 THR 50 1HG2 THR 50 3.407 7.371 7.842 185 HG23 THR 50 2HG2 THR 50 3.936 6.299 9.141 186 HA PRO 51 HA PRO 51 3.047 8.383 4.649 187 HB2 PRO 51 1HB PRO 51 3.197 6.581 2.644 188 HB3 PRO 51 2HB PRO 51 4.281 6.527 4.040 189 HG2 PRO 51 1HG PRO 51 1.818 4.922 3.488 190 HG3 PRO 51 2HG PRO 51 3.376 4.390 4.148 191 HD2 PRO 51 1HD PRO 51 1.197 4.878 5.703 192 HD3 PRO 51 2HD PRO 51 2.866 5.103 6.264 193 H GLU 52 H GLU 52 1.402 9.846 4.249 194 HA GLU 52 HA GLU 52 -1.088 9.405 3.162 195 HB2 GLU 52 1HB GLU 52 -0.923 11.803 2.323 196 HB3 GLU 52 2HB GLU 52 -0.673 11.545 4.043 197 HG2 GLU 52 1HG GLU 52 1.842 11.385 2.713 198 HG3 GLU 52 2HG GLU 52 1.012 12.853 2.202 199 H LEU 53 H LEU 53 1.929 10.003 1.373 200 HA LEU 53 HA LEU 53 0.603 8.916 -1.010 201 HB2 LEU 53 1HB LEU 53 2.596 10.820 -1.800 202 HB3 LEU 53 2HB LEU 53 0.903 10.752 -2.225 203 HG LEU 53 HG LEU 53 1.584 11.899 0.425 204 HD11 LEU 53 1HD1 LEU 53 3.202 12.794 -1.369 205 HD12 LEU 53 2HD1 LEU 53 2.314 13.954 -0.380 206 HD13 LEU 53 3HD1 LEU 53 1.785 13.607 -2.026 207 HD21 LEU 53 3HD2 LEU 53 -0.327 12.881 -1.680 208 HD22 LEU 53 1HD2 LEU 53 -0.343 13.207 0.052 209 HD23 LEU 53 2HD2 LEU 53 -0.749 11.598 -0.544 210 H ILE 54 H ILE 54 1.654 7.150 -1.661 211 HA ILE 54 HA ILE 54 4.480 6.849 -0.928 212 HB ILE 54 HB ILE 54 4.154 4.461 -1.732 213 HG12 ILE 54 1HG1 ILE 54 1.245 5.289 -1.620 214 HG13 ILE 54 2HG1 ILE 54 2.130 4.767 -3.045 215 HG21 ILE 54 1HG2 ILE 54 2.280 4.754 0.503 216 HG22 ILE 54 2HG2 ILE 54 3.804 5.620 0.697 217 HG23 ILE 54 3HG2 ILE 54 3.811 3.883 0.401 218 HD11 ILE 54 3HD1 ILE 54 2.509 2.664 -1.365 219 HD12 ILE 54 1HD1 ILE 54 1.250 2.768 -2.598 220 HD13 ILE 54 2HD1 ILE 54 0.888 3.196 -0.924 221 H VAL 55 H VAL 55 6.066 7.007 -2.359 222 HA VAL 55 HA VAL 55 5.367 7.389 -5.175 223 HB VAL 55 HB VAL 55 7.955 7.927 -3.713 224 HG11 VAL 55 1HG1 VAL 55 7.795 9.332 -6.169 225 HG12 VAL 55 2HG1 VAL 55 7.472 7.629 -6.495 226 HG13 VAL 55 3HG1 VAL 55 8.962 8.103 -5.678 227 HG21 VAL 55 3HG2 VAL 55 7.353 10.302 -4.083 228 HG22 VAL 55 1HG2 VAL 55 6.223 9.452 -3.028 229 HG23 VAL 55 2HG2 VAL 55 5.791 9.773 -4.708 230 H LEU 56 H LEU 56 5.736 5.912 -6.681 231 HA LEU 56 HA LEU 56 7.749 3.817 -6.198 232 HB2 LEU 56 1HB LEU 56 4.926 3.408 -7.187 233 HB3 LEU 56 2HB LEU 56 6.179 2.185 -7.273 234 HG LEU 56 HG LEU 56 5.423 3.408 -4.640 235 HD11 LEU 56 1HD1 LEU 56 4.053 1.121 -4.571 236 HD12 LEU 56 2HD1 LEU 56 3.876 1.499 -6.285 237 HD13 LEU 56 3HD1 LEU 56 3.331 2.652 -5.065 238 HD21 LEU 56 3HD2 LEU 56 6.198 1.225 -3.810 239 HD22 LEU 56 1HD2 LEU 56 7.448 2.089 -4.704 240 HD23 LEU 56 2HD2 LEU 56 6.586 0.754 -5.465 241 H LYS 57 H LYS 57 8.285 2.595 -8.237 242 HA LYS 57 HA LYS 57 8.508 4.499 -10.451 243 HB2 LYS 57 1HB LYS 57 10.198 2.419 -9.354 244 HB3 LYS 57 2HB LYS 57 9.965 2.188 -11.081 245 HG2 LYS 57 1HG LYS 57 10.745 4.457 -11.503 246 HG3 LYS 57 2HG LYS 57 10.953 4.713 -9.769 247 HD2 LYS 57 1HD LYS 57 12.636 2.971 -9.681 248 HD3 LYS 57 2HD LYS 57 12.380 2.604 -11.388 249 HE2 LYS 57 1HE LYS 57 12.977 5.094 -11.764 250 HE3 LYS 57 2HE LYS 57 13.660 5.008 -10.142 251 HZ1 LYS 57 3HZ LYS 57 14.833 2.914 -11.111 252 HZ2 LYS 57 1HZ LYS 57 15.457 4.457 -11.420 253 HZ3 LYS 57 2HZ LYS 57 14.539 3.663 -12.597 254 H LYS 58 H LYS 58 8.395 3.512 -12.708 255 HA LYS 58 HA LYS 58 5.955 1.900 -12.840 256 HB2 LYS 58 1HB LYS 58 6.174 4.119 -14.048 257 HB3 LYS 58 2HB LYS 58 7.306 3.320 -15.131 258 HG2 LYS 58 1HG LYS 58 5.563 1.711 -15.751 259 HG3 LYS 58 2HG LYS 58 4.429 2.547 -14.691 260 HD2 LYS 58 1HD LYS 58 3.879 3.677 -16.552 261 HD3 LYS 58 2HD LYS 58 5.343 4.605 -16.209 262 HE2 LYS 58 1HE LYS 58 6.029 4.017 -18.249 263 HE3 LYS 58 2HE LYS 58 6.285 2.405 -17.583 264 HZ1 LYS 58 3HZ LYS 58 4.040 3.405 -19.204 265 HZ2 LYS 58 1HZ LYS 58 3.790 2.089 -18.160 266 HZ3 LYS 58 2HZ LYS 58 4.950 1.995 -19.396 267 H SER 59 H SER 59 5.740 0.077 -14.101 268 HA SER 59 HA SER 59 6.290 -1.886 -15.091 269 HB2 SER 59 1HB SER 59 7.336 -0.496 -16.838 270 HB3 SER 59 2HB SER 59 8.845 -0.491 -15.926 271 HG SER 59 HG SER 59 8.692 -2.871 -16.094 272 H VAL 60 H VAL 60 7.291 -1.070 -12.324 273 HA VAL 60 HA VAL 60 9.208 -3.288 -12.025 274 HB VAL 60 HB VAL 60 10.171 -0.954 -11.672 275 HG11 VAL 60 1HG1 VAL 60 8.403 -1.096 -9.243 276 HG12 VAL 60 2HG1 VAL 60 8.409 0.136 -10.506 277 HG13 VAL 60 3HG1 VAL 60 9.774 0.003 -9.397 278 HG21 VAL 60 3HG2 VAL 60 10.323 -2.962 -9.431 279 HG22 VAL 60 1HG2 VAL 60 11.442 -1.618 -9.656 280 HG23 VAL 60 2HG2 VAL 60 11.343 -2.894 -10.870 281 HA PRO 61 HA PRO 61 6.105 -5.015 -9.334 282 HB2 PRO 61 1HB PRO 61 7.739 -6.740 -7.952 283 HB3 PRO 61 2HB PRO 61 7.069 -7.078 -9.551 284 HG2 PRO 61 1HG PRO 61 9.789 -6.088 -8.802 285 HG3 PRO 61 2HG PRO 61 9.326 -7.268 -10.044 286 HD2 PRO 61 1HD PRO 61 9.965 -4.717 -10.649 287 HD3 PRO 61 2HD PRO 61 8.743 -5.627 -11.563 288 H ALA 62 H ALA 62 5.307 -3.973 -7.613 289 HA ALA 62 HA ALA 62 7.190 -3.179 -5.483 290 HB1 ALA 62 3HB ALA 62 4.894 -1.634 -6.650 291 HB2 ALA 62 1HB ALA 62 6.593 -1.171 -6.554 292 HB3 ALA 62 2HB ALA 62 5.613 -1.240 -5.089 293 H ARG 63 H ARG 63 6.605 -3.570 -3.392 294 HA ARG 63 HA ARG 63 3.962 -4.800 -3.005 295 HB2 ARG 63 1HB ARG 63 4.866 -6.400 -1.494 296 HB3 ARG 63 2HB ARG 63 5.854 -6.431 -2.944 297 HG2 ARG 63 1HG ARG 63 7.368 -4.785 -1.597 298 HG3 ARG 63 2HG ARG 63 6.526 -5.479 -0.211 299 HD2 ARG 63 1HD ARG 63 7.120 -7.748 -1.372 300 HD3 ARG 63 2HD ARG 63 8.365 -6.786 -2.163 301 HE ARG 63 HE ARG 63 8.956 -6.154 0.258 302 HH11 ARG 63 1HH1 ARG 63 7.790 -9.261 -0.755 303 HH12 ARG 63 2HH1 ARG 63 8.572 -10.103 0.536 304 HH21 ARG 63 1HH2 ARG 63 9.959 -7.249 1.938 305 HH22 ARG 63 2HH2 ARG 63 9.795 -8.971 2.054 306 H ILE 64 H ILE 64 2.701 -3.926 -1.567 307 HA ILE 64 HA ILE 64 3.776 -1.823 0.176 308 HB ILE 64 HB ILE 64 0.849 -2.392 -0.173 309 HG12 ILE 64 1HG1 ILE 64 1.938 -2.215 -2.437 310 HG13 ILE 64 2HG1 ILE 64 0.727 -0.981 -2.110 311 HG21 ILE 64 1HG2 ILE 64 1.751 -0.793 1.556 312 HG22 ILE 64 2HG2 ILE 64 0.551 -0.130 0.446 313 HG23 ILE 64 3HG2 ILE 64 2.261 0.234 0.217 314 HD11 ILE 64 3HD1 ILE 64 2.203 0.587 -2.596 315 HD12 ILE 64 1HD1 ILE 64 3.421 -0.652 -2.904 316 HD13 ILE 64 2HD1 ILE 64 3.246 0.028 -1.286 317 H VAL 65 H VAL 65 4.272 -2.386 2.193 318 HA VAL 65 HA VAL 65 3.021 -4.729 3.411 319 HB VAL 65 HB VAL 65 5.132 -3.030 4.715 320 HG11 VAL 65 1HG1 VAL 65 3.924 -4.830 5.977 321 HG12 VAL 65 2HG1 VAL 65 5.677 -5.010 5.915 322 HG13 VAL 65 3HG1 VAL 65 4.652 -5.998 4.874 323 HG21 VAL 65 3HG2 VAL 65 6.090 -5.383 3.253 324 HG22 VAL 65 1HG2 VAL 65 6.800 -3.776 3.410 325 HG23 VAL 65 2HG2 VAL 65 5.527 -4.066 2.225 326 H PHE 66 H PHE 66 1.130 -4.386 4.421 327 HA PHE 66 HA PHE 66 0.688 -1.833 5.787 328 HB2 PHE 66 1HB PHE 66 -1.171 -4.074 5.003 329 HB3 PHE 66 2HB PHE 66 -1.680 -2.734 6.027 330 HD1 PHE 66 HD2 PHE 66 -1.386 -0.372 5.090 331 HD2 PHE 66 HD1 PHE 66 -1.245 -3.883 2.691 332 HE1 PHE 66 HE2 PHE 66 -1.851 0.981 3.089 333 HE2 PHE 66 HE1 PHE 66 -1.707 -2.534 0.685 334 HZ PHE 66 HZ PHE 66 -2.009 -0.098 0.885 335 H ASP 67 H ASP 67 1.131 -1.661 7.853 336 HA ASP 67 HA ASP 67 1.185 -4.066 9.543 337 HB2 ASP 67 1HB ASP 67 3.127 -2.326 9.334 338 HB3 ASP 67 2HB ASP 67 2.137 -1.348 10.410 339 H ARG 68 H ARG 68 -0.875 -4.424 10.247 340 HA ARG 68 HA ARG 68 -2.636 -2.275 10.970 341 HB2 ARG 68 1HB ARG 68 -3.099 -4.777 10.127 342 HB3 ARG 68 2HB ARG 68 -3.245 -5.037 11.860 343 HG2 ARG 68 1HG ARG 68 -4.737 -2.751 11.410 344 HG3 ARG 68 2HG ARG 68 -5.081 -3.770 10.011 345 HD2 ARG 68 1HD ARG 68 -5.705 -5.605 11.462 346 HD3 ARG 68 2HD ARG 68 -5.274 -4.659 12.885 347 HE ARG 68 HE ARG 68 -7.116 -3.097 12.046 348 HH11 ARG 68 1HH1 ARG 68 -7.150 -6.535 11.558 349 HH12 ARG 68 2HH1 ARG 68 -8.878 -6.638 11.577 350 HH21 ARG 68 1HH2 ARG 68 -9.384 -3.254 12.056 351 HH22 ARG 68 2HH2 ARG 68 -10.119 -4.813 11.863 352 H LYS 69 H LYS 69 -1.743 -1.118 12.615 353 HA LYS 69 HA LYS 69 -0.952 -2.432 15.090 354 HB2 LYS 69 1HB LYS 69 0.350 -0.531 14.136 355 HB3 LYS 69 2HB LYS 69 -1.038 0.514 14.400 356 HG2 LYS 69 1HG LYS 69 -0.329 -0.873 16.822 357 HG3 LYS 69 2HG LYS 69 1.055 -0.000 16.160 358 HD2 LYS 69 1HD LYS 69 -0.175 2.059 16.144 359 HD3 LYS 69 2HD LYS 69 -1.665 1.227 16.589 360 HE2 LYS 69 1HE LYS 69 -1.174 1.400 18.749 361 HE3 LYS 69 2HE LYS 69 0.390 0.627 18.496 362 HZ1 LYS 69 3HZ LYS 69 0.009 3.473 17.828 363 HZ2 LYS 69 1HZ LYS 69 1.438 2.651 18.211 364 HZ3 LYS 69 2HZ LYS 69 0.315 3.007 19.425 365 H ASP 70 H ASP 70 -3.510 -0.350 13.857 366 HA ASP 70 HA ASP 70 -4.856 -0.438 16.465 367 HB2 ASP 70 1HB ASP 70 -4.467 1.746 15.141 368 HB3 ASP 70 2HB ASP 70 -5.763 1.180 14.092 369 HA PRO 71 HA PRO 71 -7.576 -3.542 14.749 370 HB2 PRO 71 1HB PRO 71 -9.129 -3.912 16.892 371 HB3 PRO 71 2HB PRO 71 -7.431 -4.407 16.898 372 HG2 PRO 71 1HG PRO 71 -8.684 -1.933 18.039 373 HG3 PRO 71 2HG PRO 71 -7.488 -3.016 18.777 374 HD2 PRO 71 1HD PRO 71 -6.842 -0.656 17.554 375 HD3 PRO 71 2HD PRO 71 -5.736 -2.042 17.652 376 H SER 72 H SER 72 -8.129 -0.775 14.061 377 HA SER 72 HA SER 72 -10.842 -0.129 14.631 378 HB2 SER 72 1HB SER 72 -8.712 0.927 12.851 379 HB3 SER 72 2HB SER 72 -10.374 1.296 12.390 380 HG SER 72 HG SER 72 -8.997 1.972 14.774 381 HA PRO 73 HA PRO 73 -12.892 -2.925 11.851 382 HB2 PRO 73 1HB PRO 73 -15.233 -1.539 11.560 383 HB3 PRO 73 2HB PRO 73 -14.842 -2.525 12.974 384 HG2 PRO 73 1HG PRO 73 -14.597 0.438 12.603 385 HG3 PRO 73 2HG PRO 73 -15.224 -0.466 13.996 386 HD2 PRO 73 1HD PRO 73 -12.744 0.561 13.993 387 HD3 PRO 73 2HD PRO 73 -13.097 -1.003 14.762 388 H CYS 74 H CYS 74 -12.702 0.522 11.113 389 HA CYS 74 HA CYS 74 -13.428 0.228 8.359 390 HB2 CYS 74 1HB CYS 74 -12.277 2.624 8.342 391 HB3 CYS 74 2HB CYS 74 -13.880 2.371 9.024 392 HG CYS 74 HG CYS 74 -12.168 1.809 11.570 393 H LEU 75 H LEU 75 -10.629 -0.512 10.055 394 HA LEU 75 HA LEU 75 -8.958 -0.210 7.648 395 HB2 LEU 75 1HB LEU 75 -8.276 -0.199 10.571 396 HB3 LEU 75 2HB LEU 75 -7.057 -0.528 9.356 397 HG LEU 75 HG LEU 75 -8.713 1.987 9.313 398 HD11 LEU 75 1HD1 LEU 75 -7.688 2.186 11.386 399 HD12 LEU 75 2HD1 LEU 75 -6.553 2.985 10.295 400 HD13 LEU 75 3HD1 LEU 75 -6.232 1.343 10.855 401 HD21 LEU 75 3HD2 LEU 75 -7.696 2.016 7.299 402 HD22 LEU 75 1HD2 LEU 75 -6.435 0.888 7.797 403 HD23 LEU 75 2HD2 LEU 75 -6.319 2.590 8.241 404 H ASP 76 H ASP 76 -10.833 -2.453 8.760 405 HA ASP 76 HA ASP 76 -9.147 -4.688 9.264 406 HB2 ASP 76 1HB ASP 76 -11.685 -4.325 9.781 407 HB3 ASP 76 2HB ASP 76 -11.920 -4.974 8.162 408 H GLN 77 H GLN 77 -10.660 -3.405 6.343 409 HA GLN 77 HA GLN 77 -9.131 -5.384 4.781 410 HB2 GLN 77 1HB GLN 77 -11.819 -4.186 4.088 411 HB3 GLN 77 2HB GLN 77 -10.903 -5.289 3.072 412 HG2 GLN 77 1HG GLN 77 -11.133 -6.575 5.536 413 HG3 GLN 77 2HG GLN 77 -12.713 -5.856 5.230 414 HE21 GLN 77 2HE2 GLN 77 -13.313 -6.130 2.765 415 HE22 GLN 77 1HE2 GLN 77 -13.173 -7.752 2.190 416 H ILE 78 H ILE 78 -8.468 -4.700 2.650 417 HA ILE 78 HA ILE 78 -8.427 -1.802 2.209 418 HB ILE 78 HB ILE 78 -6.307 -2.219 3.304 419 HG12 ILE 78 1HG1 ILE 78 -5.017 -1.993 0.777 420 HG13 ILE 78 2HG1 ILE 78 -6.590 -1.215 0.643 421 HG21 ILE 78 1HG2 ILE 78 -4.623 -3.720 2.112 422 HG22 ILE 78 2HG2 ILE 78 -6.015 -4.421 1.287 423 HG23 ILE 78 3HG2 ILE 78 -5.895 -4.508 3.045 424 HD11 ILE 78 3HD1 ILE 78 -4.697 -0.619 2.890 425 HD12 ILE 78 1HD1 ILE 78 -6.097 0.311 2.353 426 HD13 ILE 78 2HD1 ILE 78 -4.650 0.237 1.349 427 H VAL 79 H VAL 79 -8.822 -1.270 0.146 428 HA VAL 79 HA VAL 79 -8.364 -3.301 -1.917 429 HB VAL 79 HB VAL 79 -10.678 -3.548 -1.571 430 HG11 VAL 79 1HG1 VAL 79 -12.247 -1.614 -1.551 431 HG12 VAL 79 2HG1 VAL 79 -10.845 -0.547 -1.481 432 HG13 VAL 79 3HG1 VAL 79 -11.154 -1.686 -0.171 433 HG21 VAL 79 3HG2 VAL 79 -11.716 -2.703 -3.622 434 HG22 VAL 79 1HG2 VAL 79 -10.102 -3.346 -3.930 435 HG23 VAL 79 2HG2 VAL 79 -10.357 -1.601 -3.856 436 H PHE 80 H PHE 80 -7.446 -2.604 -3.698 437 HA PHE 80 HA PHE 80 -6.860 0.247 -3.971 438 HB2 PHE 80 1HB PHE 80 -5.700 -2.293 -5.057 439 HB3 PHE 80 2HB PHE 80 -5.445 -0.805 -5.955 440 HD1 PHE 80 HD1 PHE 80 -5.078 -2.232 -2.537 441 HD2 PHE 80 HD2 PHE 80 -3.655 0.549 -5.426 442 HE1 PHE 80 HE1 PHE 80 -3.182 -1.685 -1.067 443 HE2 PHE 80 HE2 PHE 80 -1.755 1.104 -3.959 444 HZ PHE 80 HZ PHE 80 -1.516 -0.017 -1.779 445 HA PRO 81 HA PRO 81 -10.383 0.114 -6.871 446 HB2 PRO 81 1HB PRO 81 -10.606 2.819 -7.120 447 HB3 PRO 81 2HB PRO 81 -11.310 1.897 -5.787 448 HG2 PRO 81 1HG PRO 81 -8.776 3.478 -5.870 449 HG3 PRO 81 2HG PRO 81 -9.990 3.375 -4.582 450 HD2 PRO 81 1HD PRO 81 -7.648 2.021 -4.501 451 HD3 PRO 81 2HD PRO 81 -9.140 1.395 -3.772 452 H ASP 82 H ASP 82 -7.219 1.397 -7.287 453 HA ASP 82 HA ASP 82 -7.701 1.944 -10.123 454 HB2 ASP 82 1HB ASP 82 -5.458 2.639 -8.243 455 HB3 ASP 82 2HB ASP 82 -5.273 2.787 -9.988 456 H PHE 83 H PHE 83 -6.645 -0.590 -8.169 457 HA PHE 83 HA PHE 83 -5.173 -1.778 -10.433 458 HB2 PHE 83 1HB PHE 83 -4.607 -1.941 -7.481 459 HB3 PHE 83 2HB PHE 83 -3.968 -3.134 -8.608 460 HD1 PHE 83 HD1 PHE 83 -4.042 0.494 -7.857 461 HD2 PHE 83 HD2 PHE 83 -2.033 -2.685 -9.852 462 HE1 PHE 83 HE1 PHE 83 -2.183 2.007 -8.384 463 HE2 PHE 83 HE2 PHE 83 -0.165 -1.172 -10.380 464 HZ PHE 83 HZ PHE 83 -0.244 1.180 -9.647 465 H GLY 84 H GLY 84 -7.741 -2.152 -8.163 466 HA2 GLY 84 1HA GLY 84 -9.466 -3.709 -8.210 467 HA3 GLY 84 2HA GLY 84 -8.617 -4.568 -9.486 468 H VAL 85 H VAL 85 -7.141 -3.738 -6.434 469 HA VAL 85 HA VAL 85 -6.981 -6.608 -5.787 470 HB VAL 85 HB VAL 85 -5.093 -4.331 -5.192 471 HG11 VAL 85 1HG1 VAL 85 -3.933 -6.735 -4.330 472 HG12 VAL 85 2HG1 VAL 85 -5.548 -6.686 -3.623 473 HG13 VAL 85 3HG1 VAL 85 -4.424 -5.356 -3.346 474 HG21 VAL 85 3HG2 VAL 85 -4.785 -6.910 -6.723 475 HG22 VAL 85 1HG2 VAL 85 -3.480 -5.770 -6.392 476 HG23 VAL 85 2HG2 VAL 85 -4.846 -5.279 -7.393 477 H HIS 86 H HIS 86 -8.255 -7.219 -4.162 478 HA HIS 86 HA HIS 86 -8.713 -5.341 -1.928 479 HB2 HIS 86 1HB HIS 86 -10.869 -6.778 -1.608 480 HB3 HIS 86 2HB HIS 86 -10.844 -5.520 -2.836 481 HD1 HIS 86 HD1 HIS 86 -9.766 -9.185 -2.918 482 HD2 HIS 86 HD2 HIS 86 -12.172 -6.485 -4.977 483 HE1 HIS 86 HE1 HIS 86 -10.737 -10.476 -4.851 484 H ALA 87 H ALA 87 -7.858 -5.995 -0.045 485 HA ALA 87 HA ALA 87 -7.688 -8.883 0.500 486 HB1 ALA 87 3HB ALA 87 -5.490 -8.858 0.187 487 HB2 ALA 87 1HB ALA 87 -5.369 -7.839 1.621 488 HB3 ALA 87 2HB ALA 87 -5.468 -7.103 0.022 489 H ASN 88 H ASN 88 -6.931 -9.266 2.825 490 HA ASN 88 HA ASN 88 -8.344 -7.398 4.618 491 HB2 ASN 88 1HB ASN 88 -9.297 -9.729 4.343 492 HB3 ASN 88 2HB ASN 88 -7.831 -10.342 5.098 493 HD21 ASN 88 2HD2 ASN 88 -10.833 -8.717 5.573 494 HD22 ASN 88 1HD2 ASN 88 -10.784 -8.688 7.307 495 H LEU 89 H LEU 89 -7.340 -6.744 6.532 496 HA LEU 89 HA LEU 89 -4.471 -7.391 6.686 497 HB2 LEU 89 1HB LEU 89 -5.877 -5.054 7.967 498 HB3 LEU 89 2HB LEU 89 -4.147 -5.314 7.843 499 HG LEU 89 HG LEU 89 -5.980 -4.828 5.492 500 HD11 LEU 89 1HD1 LEU 89 -4.228 -2.996 7.097 501 HD12 LEU 89 2HD1 LEU 89 -5.923 -2.796 6.652 502 HD13 LEU 89 3HD1 LEU 89 -4.664 -2.645 5.425 503 HD21 LEU 89 3HD2 LEU 89 -3.035 -5.286 5.778 504 HD22 LEU 89 1HD2 LEU 89 -3.677 -4.341 4.436 505 HD23 LEU 89 2HD2 LEU 89 -4.173 -6.019 4.648 506 HA PRO 90 HA PRO 90 -5.488 -9.572 10.441 507 HB2 PRO 90 1HB PRO 90 -3.023 -10.557 10.909 508 HB3 PRO 90 2HB PRO 90 -4.070 -11.195 9.637 509 HG2 PRO 90 1HG PRO 90 -1.738 -9.349 9.423 510 HG3 PRO 90 2HG PRO 90 -2.244 -10.650 8.335 511 HD2 PRO 90 1HD PRO 90 -2.721 -7.960 7.922 512 HD3 PRO 90 2HD PRO 90 -3.638 -9.279 7.172 513 H MET 91 H MET 91 -5.594 -8.880 12.488 514 HA MET 91 HA MET 91 -4.319 -6.484 13.305 515 HB2 MET 91 1HB MET 91 -6.514 -7.056 14.141 516 HB3 MET 91 2HB MET 91 -5.891 -8.527 14.876 517 HG2 MET 91 1HG MET 91 -6.292 -6.717 16.493 518 HG3 MET 91 2HG MET 91 -4.620 -7.267 16.465 519 HE1 MET 91 3HE MET 91 -3.525 -3.737 17.115 520 HE2 MET 91 1HE MET 91 -3.124 -5.450 17.231 521 HE3 MET 91 2HE MET 91 -4.597 -4.835 17.984 522 H GLY 92 H GLY 92 -2.404 -6.159 14.194 523 HA2 GLY 92 1HA GLY 92 -0.557 -6.509 15.558 524 HA3 GLY 92 2HA GLY 92 -1.204 -8.085 15.984 525 H GLU 93 H GLU 93 -1.143 -7.663 12.641 526 HA GLU 93 HA GLU 93 1.531 -8.849 12.401 527 HB2 GLU 93 1HB GLU 93 -0.989 -9.915 11.118 528 HB3 GLU 93 2HB GLU 93 0.634 -10.460 10.726 529 HG2 GLU 93 1HG GLU 93 0.920 -11.213 13.046 530 HG3 GLU 93 2HG GLU 93 -0.731 -10.701 13.399 531 H GLU 94 H GLU 94 2.020 -9.084 9.895 532 HA GLU 94 HA GLU 94 1.300 -6.503 8.667 533 HB2 GLU 94 1HB GLU 94 3.861 -8.085 8.512 534 HB3 GLU 94 2HB GLU 94 3.503 -6.735 7.446 535 HG2 GLU 94 1HG GLU 94 4.048 -5.236 8.992 536 HG3 GLU 94 2HG GLU 94 3.130 -6.071 10.246 537 H TYR 95 H TYR 95 0.452 -6.477 6.688 538 HA TYR 95 HA TYR 95 0.422 -8.997 5.150 539 HB2 TYR 95 1HB TYR 95 -1.799 -8.128 6.185 540 HB3 TYR 95 2HB TYR 95 -1.745 -6.921 4.906 541 HD1 TYR 95 HD1 TYR 95 -2.091 -10.504 5.652 542 HD2 TYR 95 HD2 TYR 95 -2.160 -7.530 2.609 543 HE1 TYR 95 HE1 TYR 95 -3.109 -12.119 4.103 544 HE2 TYR 95 HE2 TYR 95 -3.178 -9.138 1.053 545 HH TYR 95 HH TYR 95 -3.221 -11.716 0.837 546 H VAL 96 H VAL 96 1.388 -8.877 3.216 547 HA VAL 96 HA VAL 96 1.988 -6.205 2.177 548 HB VAL 96 HB VAL 96 3.829 -7.930 2.717 549 HG11 VAL 96 1HG1 VAL 96 2.429 -9.486 0.906 550 HG12 VAL 96 2HG1 VAL 96 4.058 -9.788 1.515 551 HG13 VAL 96 3HG1 VAL 96 3.831 -8.918 -0.004 552 HG21 VAL 96 3HG2 VAL 96 4.545 -5.966 1.741 553 HG22 VAL 96 1HG2 VAL 96 3.621 -6.241 0.263 554 HG23 VAL 96 2HG2 VAL 96 5.083 -7.178 0.579 555 H VAL 97 H VAL 97 1.401 -5.514 0.224 556 HA VAL 97 HA VAL 97 -0.220 -7.327 -1.452 557 HB VAL 97 HB VAL 97 -0.382 -4.325 -1.109 558 HG11 VAL 97 1HG1 VAL 97 -1.971 -4.188 -2.840 559 HG12 VAL 97 2HG1 VAL 97 -2.128 -5.940 -2.948 560 HG13 VAL 97 3HG1 VAL 97 -0.654 -5.152 -3.508 561 HG21 VAL 97 3HG2 VAL 97 -1.568 -5.324 0.633 562 HG22 VAL 97 1HG2 VAL 97 -2.161 -6.629 -0.395 563 HG23 VAL 97 2HG2 VAL 97 -2.805 -4.997 -0.581 564 H GLU 98 H GLU 98 0.899 -8.017 -3.155 565 HA GLU 98 HA GLU 98 3.045 -6.372 -4.256 566 HB2 GLU 98 1HB GLU 98 2.342 -9.252 -4.324 567 HB3 GLU 98 2HB GLU 98 3.159 -8.609 -5.744 568 HG2 GLU 98 1HG GLU 98 5.103 -8.221 -4.627 569 HG3 GLU 98 2HG GLU 98 4.291 -7.955 -3.085 570 H ILE 99 H ILE 99 2.710 -5.079 -5.921 571 HA ILE 99 HA ILE 99 0.785 -5.870 -8.002 572 HB ILE 99 HB ILE 99 0.411 -3.204 -8.066 573 HG12 ILE 99 1HG1 ILE 99 0.541 -3.836 -5.111 574 HG13 ILE 99 2HG1 ILE 99 1.803 -2.961 -5.971 575 HG21 ILE 99 1HG2 ILE 99 -1.728 -3.631 -6.870 576 HG22 ILE 99 2HG2 ILE 99 -1.115 -5.227 -6.436 577 HG23 ILE 99 3HG2 ILE 99 -1.366 -4.810 -8.131 578 HD11 ILE 99 3HD1 ILE 99 -0.382 -1.865 -4.714 579 HD12 ILE 99 1HD1 ILE 99 -0.827 -1.827 -6.421 580 HD13 ILE 99 2HD1 ILE 99 0.667 -1.058 -5.880 581 H THR 100 H THR 100 1.132 -4.864 -10.063 582 HA THR 100 HA THR 100 3.878 -3.843 -10.402 583 HB THR 100 HB THR 100 2.399 -5.319 -12.565 584 HG1 THR 100 HG1 THR 100 3.301 -7.223 -11.828 585 HG21 THR 100 3HG2 THR 100 4.486 -3.926 -13.000 586 HG22 THR 100 1HG2 THR 100 4.532 -5.603 -13.546 587 HG23 THR 100 2HG2 THR 100 5.362 -5.134 -12.060 588 HA PRO 101 HA PRO 101 1.301 -0.421 -11.976 589 HB2 PRO 101 1HB PRO 101 3.105 1.520 -11.495 590 HB3 PRO 101 2HB PRO 101 2.102 0.836 -10.209 591 HG2 PRO 101 1HG PRO 101 4.938 0.191 -10.940 592 HG3 PRO 101 2HG PRO 101 4.242 0.476 -9.336 593 HD2 PRO 101 1HD PRO 101 4.698 -2.008 -10.309 594 HD3 PRO 101 2HD PRO 101 3.355 -1.648 -9.204 595 H GLU 102 H GLU 102 1.314 -0.912 -14.165 596 HA GLU 102 HA GLU 102 3.779 -0.474 -15.677 597 HB2 GLU 102 1HB GLU 102 1.110 -1.633 -16.481 598 HB3 GLU 102 2HB GLU 102 2.458 -1.416 -17.587 599 HG2 GLU 102 1HG GLU 102 3.717 -3.074 -16.589 600 HG3 GLU 102 2HG GLU 102 2.834 -2.969 -15.068 601 H GLN 103 H GLN 103 1.460 1.475 -14.581 602 HA GLN 103 HA GLN 103 1.616 3.249 -16.918 603 HB2 GLN 103 1HB GLN 103 -0.773 2.305 -15.453 604 HB3 GLN 103 2HB GLN 103 -0.732 4.024 -15.815 605 HG2 GLN 103 1HG GLN 103 -1.534 3.534 -17.818 606 HG3 GLN 103 2HG GLN 103 0.020 2.789 -18.188 607 HE21 GLN 103 2HE2 GLN 103 -2.722 2.123 -19.054 608 HE22 GLN 103 1HE2 GLN 103 -2.944 0.463 -18.633 609 H ALA 104 H ALA 104 2.222 5.297 -16.482 610 HA ALA 104 HA ALA 104 2.877 5.954 -13.724 611 HB1 ALA 104 3HB ALA 104 3.549 8.064 -15.520 612 HB2 ALA 104 1HB ALA 104 4.034 6.529 -16.238 613 HB3 ALA 104 2HB ALA 104 4.622 6.977 -14.637 614 H GLY 105 H GLY 105 1.764 7.314 -12.488 615 HA2 GLY 105 1HA GLY 105 0.479 9.642 -13.198 616 HA3 GLY 105 2HA GLY 105 -0.728 8.381 -13.403 617 H GLU 106 H GLU 106 -1.808 9.735 -11.740 618 HA GLU 106 HA GLU 106 -0.804 9.274 -9.028 619 HB2 GLU 106 1HB GLU 106 -2.273 11.404 -10.293 620 HB3 GLU 106 2HB GLU 106 -3.180 10.777 -8.922 621 HG2 GLU 106 1HG GLU 106 -1.213 11.113 -7.490 622 HG3 GLU 106 2HG GLU 106 -0.348 11.795 -8.866 623 H PHE 107 H PHE 107 -1.468 7.497 -8.086 624 HA PHE 107 HA PHE 107 -4.178 6.477 -8.657 625 HB2 PHE 107 1HB PHE 107 -1.687 5.024 -7.732 626 HB3 PHE 107 2HB PHE 107 -3.265 4.266 -7.895 627 HD1 PHE 107 HD2 PHE 107 -4.089 5.679 -10.470 628 HD2 PHE 107 HD1 PHE 107 -0.483 3.752 -9.294 629 HE1 PHE 107 HE2 PHE 107 -3.595 5.177 -12.825 630 HE2 PHE 107 HE1 PHE 107 0.020 3.252 -11.648 631 HZ PHE 107 HZ PHE 107 -1.537 3.962 -13.417 632 H SER 108 H SER 108 -5.121 5.213 -6.704 633 HA SER 108 HA SER 108 -4.257 6.255 -4.129 634 HB2 SER 108 1HB SER 108 -6.338 7.309 -3.561 635 HB3 SER 108 2HB SER 108 -5.807 7.978 -5.104 636 HG SER 108 HG SER 108 -7.232 6.350 -6.076 637 H PHE 109 H PHE 109 -5.407 5.317 -2.312 638 HA PHE 109 HA PHE 109 -7.024 2.954 -2.850 639 HB2 PHE 109 1HB PHE 109 -5.605 1.555 -1.318 640 HB3 PHE 109 2HB PHE 109 -4.856 1.946 -2.858 641 HD1 PHE 109 HD2 PHE 109 -2.961 3.500 -2.964 642 HD2 PHE 109 HD1 PHE 109 -4.725 2.385 0.752 643 HE1 PHE 109 HE2 PHE 109 -0.986 4.349 -1.771 644 HE2 PHE 109 HE1 PHE 109 -2.748 3.229 1.946 645 HZ PHE 109 HZ PHE 109 -0.875 4.213 0.684 646 H ALA 110 H ALA 110 -8.527 2.550 -1.307 647 HA ALA 110 HA ALA 110 -8.281 3.515 1.387 648 HB1 ALA 110 3HB ALA 110 -10.550 4.739 -0.139 649 HB2 ALA 110 1HB ALA 110 -8.974 5.529 -0.080 650 HB3 ALA 110 2HB ALA 110 -9.863 5.218 1.412 651 H CYS 111 H CYS 111 -10.064 2.848 2.742 652 HA CYS 111 HA CYS 111 -12.199 1.274 1.645 653 HB2 CYS 111 1HB CYS 111 -10.073 -0.217 1.701 654 HB3 CYS 111 2HB CYS 111 -10.330 -0.246 3.441 655 HG CYS 111 HG CYS 111 -11.378 -2.609 2.601 656 H GLY 112 H GLY 112 -13.560 0.302 3.418 657 HA2 GLY 112 1HA GLY 112 -14.482 0.325 5.556 658 HA3 GLY 112 2HA GLY 112 -13.164 1.354 6.086 659 H MET 113 H MET 113 -13.268 3.650 5.427 660 HA MET 113 HA MET 113 -16.046 4.573 5.084 661 HB2 MET 113 1HB MET 113 -14.239 5.029 7.312 662 HB3 MET 113 2HB MET 113 -14.778 6.540 6.595 663 HG2 MET 113 1HG MET 113 -16.563 4.332 7.592 664 HG3 MET 113 2HG MET 113 -16.220 5.846 8.429 665 HE1 MET 113 3HE MET 113 -19.062 4.413 7.426 666 HE2 MET 113 1HE MET 113 -18.400 4.023 5.838 667 HE3 MET 113 2HE MET 113 -19.753 5.145 5.977 668 H ASN 114 H ASN 114 -16.302 6.650 4.110 669 HA ASN 114 HA ASN 114 -14.277 7.201 2.121 670 HB2 ASN 114 1HB ASN 114 -16.937 7.243 1.955 671 HB3 ASN 114 2HB ASN 114 -16.687 8.930 2.391 672 HD21 ASN 114 2HD2 ASN 114 -15.260 10.187 1.031 673 HD22 ASN 114 1HD2 ASN 114 -15.150 9.807 -0.651 674 H MET 115 H MET 115 -13.016 7.775 4.348 675 HA MET 115 HA MET 115 -13.020 10.721 4.476 676 HB2 MET 115 1HB MET 115 -13.025 8.722 6.681 677 HB3 MET 115 2HB MET 115 -12.024 10.151 6.894 678 HG2 MET 115 1HG MET 115 -13.917 10.969 7.792 679 HG3 MET 115 2HG MET 115 -14.284 11.334 6.107 680 HE1 MET 115 3HE MET 115 -16.392 8.411 8.871 681 HE2 MET 115 1HE MET 115 -15.833 10.045 9.233 682 HE3 MET 115 2HE MET 115 -14.665 8.749 8.973 683 H MET 116 H MET 116 -10.809 8.664 6.250 684 HA MET 116 HA MET 116 -8.543 9.923 5.092 685 HB2 MET 116 1HB MET 116 -7.317 8.863 6.699 686 HB3 MET 116 2HB MET 116 -8.905 8.678 7.424 687 HG2 MET 116 1HG MET 116 -7.858 6.547 5.621 688 HG3 MET 116 2HG MET 116 -7.267 6.661 7.275 689 HE1 MET 116 3HE MET 116 -8.672 3.927 6.464 690 HE2 MET 116 1HE MET 116 -9.374 4.846 5.130 691 HE3 MET 116 2HE MET 116 -10.424 4.000 6.268 692 H HIS 117 H HIS 117 -7.065 9.176 3.590 693 HA HIS 117 HA HIS 117 -7.395 6.571 2.393 694 HB2 HIS 117 1HB HIS 117 -7.705 7.519 0.082 695 HB3 HIS 117 2HB HIS 117 -9.099 7.678 1.141 696 HD1 HIS 117 HD1 HIS 117 -9.592 10.125 2.078 697 HD2 HIS 117 HD2 HIS 117 -6.688 9.885 -0.900 698 HE1 HIS 117 HE1 HIS 117 -9.290 12.473 1.231 699 H GLY 118 H GLY 118 -5.740 6.061 0.810 700 HA2 GLY 118 1HA GLY 118 -3.310 7.679 1.265 701 HA3 GLY 118 2HA GLY 118 -3.320 5.943 0.984 702 H LYS 119 H LYS 119 -1.957 8.194 -0.429 703 HA LYS 119 HA LYS 119 -3.102 7.779 -3.115 704 HB2 LYS 119 1HB LYS 119 -2.710 10.152 -1.974 705 HB3 LYS 119 2HB LYS 119 -1.093 9.919 -2.620 706 HG2 LYS 119 1HG LYS 119 -1.813 10.683 -4.567 707 HG3 LYS 119 2HG LYS 119 -2.857 9.269 -4.701 708 HD2 LYS 119 1HD LYS 119 -4.376 10.996 -4.910 709 HD3 LYS 119 2HD LYS 119 -4.463 10.650 -3.181 710 HE2 LYS 119 1HE LYS 119 -3.881 12.744 -2.724 711 HE3 LYS 119 2HE LYS 119 -2.372 12.530 -3.610 712 HZ1 LYS 119 3HZ LYS 119 -3.832 14.383 -4.400 713 HZ2 LYS 119 1HZ LYS 119 -4.934 13.216 -4.933 714 HZ3 LYS 119 2HZ LYS 119 -3.376 13.276 -5.606 715 H MET 120 H MET 120 -1.724 7.300 -4.852 716 HA MET 120 HA MET 120 1.003 6.438 -4.136 717 HB2 MET 120 1HB MET 120 -0.698 4.541 -4.271 718 HB3 MET 120 2HB MET 120 -0.795 4.884 -5.989 719 HG2 MET 120 1HG MET 120 1.249 4.015 -6.419 720 HG3 MET 120 2HG MET 120 1.895 4.461 -4.845 721 HE1 MET 120 3HE MET 120 -0.770 2.360 -6.568 722 HE2 MET 120 1HE MET 120 -0.554 0.749 -5.885 723 HE3 MET 120 2HE MET 120 0.677 1.426 -6.952 724 H ILE 121 H ILE 121 2.451 7.449 -5.385 725 HA ILE 121 HA ILE 121 1.567 8.388 -8.036 726 HB ILE 121 HB ILE 121 3.811 9.421 -6.293 727 HG12 ILE 121 1HG1 ILE 121 2.213 11.543 -6.789 728 HG13 ILE 121 2HG1 ILE 121 1.016 10.253 -6.833 729 HG21 ILE 121 1HG2 ILE 121 4.486 9.551 -8.612 730 HG22 ILE 121 2HG2 ILE 121 4.081 11.165 -8.028 731 HG23 ILE 121 3HG2 ILE 121 2.944 10.286 -9.051 732 HD11 ILE 121 3HD1 ILE 121 1.405 11.434 -4.619 733 HD12 ILE 121 1HD1 ILE 121 2.928 10.546 -4.548 734 HD13 ILE 121 2HD1 ILE 121 1.398 9.669 -4.608 735 H VAL 122 H VAL 122 2.228 7.224 -9.690 736 HA VAL 122 HA VAL 122 4.667 5.609 -9.426 737 HB VAL 122 HB VAL 122 2.415 5.416 -11.436 738 HG11 VAL 122 1HG1 VAL 122 4.893 4.691 -12.020 739 HG12 VAL 122 2HG1 VAL 122 3.504 3.726 -12.517 740 HG13 VAL 122 3HG1 VAL 122 4.435 3.264 -11.091 741 HG21 VAL 122 3HG2 VAL 122 1.704 4.699 -9.247 742 HG22 VAL 122 1HG2 VAL 122 3.145 3.703 -9.064 743 HG23 VAL 122 2HG2 VAL 122 1.930 3.282 -10.271 744 H GLU 123 H GLU 123 6.471 6.300 -10.347 745 HA GLU 123 HA GLU 123 6.369 8.458 -12.303 746 HB2 GLU 123 1HB GLU 123 8.363 7.385 -10.427 747 HB3 GLU 123 2HB GLU 123 9.026 7.902 -11.969 748 HG2 GLU 123 1HG GLU 123 7.816 10.087 -11.616 749 HG3 GLU 123 2HG GLU 123 7.499 9.542 -9.970 Start of MODEL 3 1 HA2 GLY 26 1HA GLY 26 6.833 13.322 4.670 2 HA3 GLY 26 2HA GLY 26 5.796 13.532 6.072 3 H ALA 27 H ALA 27 5.561 16.403 4.782 4 HA ALA 27 HA ALA 27 2.983 15.965 3.638 5 HB1 ALA 27 3HB ALA 27 2.946 18.364 3.261 6 HB2 ALA 27 1HB ALA 27 4.675 18.462 3.590 7 HB3 ALA 27 2HB ALA 27 3.558 18.004 4.876 8 H MET 28 H MET 28 6.151 15.959 2.335 9 HA MET 28 HA MET 28 5.311 16.569 -0.376 10 HB2 MET 28 1HB MET 28 7.911 16.036 0.984 11 HB3 MET 28 2HB MET 28 7.812 15.755 -0.749 12 HG2 MET 28 1HG MET 28 7.142 18.343 0.634 13 HG3 MET 28 2HG MET 28 8.655 17.990 -0.200 14 HE1 MET 28 3HE MET 28 9.082 17.850 -2.436 15 HE2 MET 28 1HE MET 28 8.091 18.450 -3.764 16 HE3 MET 28 2HE MET 28 7.902 16.789 -3.205 17 H GLY 29 H GLY 29 5.302 13.852 1.601 18 HA2 GLY 29 1HA GLY 29 4.237 11.850 0.743 19 HA3 GLY 29 2HA GLY 29 5.101 12.099 -0.766 20 H GLN 30 H GLN 30 5.126 9.652 0.479 21 HA GLN 30 HA GLN 30 7.837 9.510 1.635 22 HB2 GLN 30 1HB GLN 30 5.360 8.339 2.470 23 HB3 GLN 30 2HB GLN 30 6.481 7.054 2.037 24 HG2 GLN 30 1HG GLN 30 8.170 8.268 3.515 25 HG3 GLN 30 2HG GLN 30 6.794 9.184 4.124 26 HE21 GLN 30 2HE2 GLN 30 8.122 5.948 3.770 27 HE22 GLN 30 1HE2 GLN 30 7.273 5.260 5.107 28 H LYS 31 H LYS 31 9.358 8.619 0.430 29 HA LYS 31 HA LYS 31 8.641 7.268 -2.036 30 HB2 LYS 31 1HB LYS 31 10.571 9.049 -1.548 31 HB3 LYS 31 2HB LYS 31 11.480 7.584 -1.204 32 HG2 LYS 31 1HG LYS 31 11.845 7.330 -3.371 33 HG3 LYS 31 2HG LYS 31 10.110 7.140 -3.625 34 HD2 LYS 31 1HD LYS 31 10.919 8.905 -5.047 35 HD3 LYS 31 2HD LYS 31 9.907 9.606 -3.783 36 HE2 LYS 31 1HE LYS 31 11.609 11.026 -3.485 37 HE3 LYS 31 2HE LYS 31 12.376 9.687 -2.633 38 HZ1 LYS 31 3HZ LYS 31 12.839 10.621 -5.394 39 HZ2 LYS 31 1HZ LYS 31 13.253 9.046 -4.931 40 HZ3 LYS 31 2HZ LYS 31 13.966 10.372 -4.158 41 H ALA 32 H ALA 32 8.702 5.136 -2.338 42 HA ALA 32 HA ALA 32 9.204 3.388 -0.142 43 HB1 ALA 32 3HB ALA 32 7.476 2.835 -1.715 44 HB2 ALA 32 1HB ALA 32 8.724 1.588 -1.781 45 HB3 ALA 32 2HB ALA 32 8.636 2.817 -3.044 46 H GLN 33 H GLN 33 10.718 1.609 -0.115 47 HA GLN 33 HA GLN 33 13.338 2.461 -0.986 48 HB2 GLN 33 1HB GLN 33 14.200 0.703 0.385 49 HB3 GLN 33 2HB GLN 33 12.898 1.473 1.274 50 HG2 GLN 33 1HG GLN 33 11.449 -0.428 0.240 51 HG3 GLN 33 2HG GLN 33 13.002 -1.231 0.030 52 HE21 GLN 33 2HE2 GLN 33 10.612 -0.165 2.266 53 HE22 GLN 33 1HE2 GLN 33 11.278 -0.926 3.667 54 H GLN 34 H GLN 34 14.676 1.447 -2.435 55 HA GLN 34 HA GLN 34 13.346 -0.373 -4.307 56 HB2 GLN 34 1HB GLN 34 15.884 1.253 -4.583 57 HB3 GLN 34 2HB GLN 34 15.239 0.193 -5.828 58 HG2 GLN 34 1HG GLN 34 13.318 1.558 -6.115 59 HG3 GLN 34 2HG GLN 34 13.705 2.509 -4.681 60 HE21 GLN 34 2HE2 GLN 34 15.154 4.157 -4.831 61 HE22 GLN 34 1HE2 GLN 34 15.855 4.682 -6.318 62 H LYS 35 H LYS 35 13.661 -2.466 -3.971 63 HA LYS 35 HA LYS 35 16.102 -3.373 -2.639 64 HB2 LYS 35 1HB LYS 35 13.699 -5.038 -3.380 65 HB3 LYS 35 2HB LYS 35 14.951 -5.423 -2.210 66 HG2 LYS 35 1HG LYS 35 13.320 -2.973 -1.785 67 HG3 LYS 35 2HG LYS 35 12.591 -4.547 -1.458 68 HD2 LYS 35 1HD LYS 35 15.122 -4.657 -0.284 69 HD3 LYS 35 2HD LYS 35 14.511 -3.046 0.094 70 HE2 LYS 35 1HE LYS 35 12.329 -4.322 0.721 71 HE3 LYS 35 2HE LYS 35 13.398 -5.721 0.832 72 HZ1 LYS 35 3HZ LYS 35 13.646 -3.170 2.359 73 HZ2 LYS 35 1HZ LYS 35 14.766 -4.448 2.411 74 HZ3 LYS 35 2HZ LYS 35 13.190 -4.688 2.975 75 H ASN 36 H ASN 36 15.751 -6.098 -3.775 76 HA ASN 36 HA ASN 36 17.494 -5.748 -6.043 77 HB2 ASN 36 1HB ASN 36 17.588 -7.561 -4.177 78 HB3 ASN 36 2HB ASN 36 16.402 -8.401 -5.171 79 HD21 ASN 36 2HD2 ASN 36 17.002 -9.106 -7.239 80 HD22 ASN 36 1HD2 ASN 36 18.662 -9.312 -7.671 81 H GLY 37 H GLY 37 15.820 -4.639 -7.377 82 HA2 GLY 37 1HA GLY 37 14.834 -4.953 -9.501 83 HA3 GLY 37 2HA GLY 37 14.532 -6.630 -9.092 84 H TYR 38 H TYR 38 13.477 -5.087 -6.449 85 HA TYR 38 HA TYR 38 10.874 -4.310 -7.540 86 HB2 TYR 38 1HB TYR 38 9.643 -5.708 -5.994 87 HB3 TYR 38 2HB TYR 38 10.728 -6.719 -6.937 88 HD1 TYR 38 HD2 TYR 38 12.861 -7.546 -5.852 89 HD2 TYR 38 HD1 TYR 38 9.745 -5.672 -3.641 90 HE1 TYR 38 HE2 TYR 38 13.761 -8.511 -3.777 91 HE2 TYR 38 HE1 TYR 38 10.637 -6.634 -1.562 92 HH TYR 38 HH TYR 38 12.058 -8.189 -0.714 93 H GLN 39 H GLN 39 9.482 -3.239 -5.860 94 HA GLN 39 HA GLN 39 11.209 -1.767 -3.971 95 HB2 GLN 39 1HB GLN 39 8.650 -0.504 -4.643 96 HB3 GLN 39 2HB GLN 39 10.260 0.191 -4.553 97 HG2 GLN 39 1HG GLN 39 10.379 -1.374 -6.812 98 HG3 GLN 39 2HG GLN 39 8.746 -0.716 -6.857 99 HE21 GLN 39 2HE2 GLN 39 12.014 -0.120 -7.431 100 HE22 GLN 39 1HE2 GLN 39 11.896 1.567 -7.781 101 H GLU 40 H GLU 40 10.300 -1.095 -1.957 102 HA GLU 40 HA GLU 40 7.863 -2.475 -1.100 103 HB2 GLU 40 1HB GLU 40 9.872 -3.943 -0.670 104 HB3 GLU 40 2HB GLU 40 10.437 -2.723 0.460 105 HG2 GLU 40 1HG GLU 40 7.978 -3.094 1.433 106 HG3 GLU 40 2HG GLU 40 8.237 -4.677 0.710 107 H ILE 41 H ILE 41 6.750 -1.448 0.509 108 HA ILE 41 HA ILE 41 8.023 0.768 1.930 109 HB ILE 41 HB ILE 41 7.090 2.002 0.144 110 HG12 ILE 41 1HG1 ILE 41 4.739 2.657 1.576 111 HG13 ILE 41 2HG1 ILE 41 5.941 2.192 2.768 112 HG21 ILE 41 1HG2 ILE 41 5.235 -0.113 -0.011 113 HG22 ILE 41 2HG2 ILE 41 5.452 1.232 -1.129 114 HG23 ILE 41 3HG2 ILE 41 4.311 1.376 0.212 115 HD11 ILE 41 3HD1 ILE 41 6.237 4.332 0.670 116 HD12 ILE 41 1HD1 ILE 41 7.498 3.835 1.801 117 HD13 ILE 41 2HD1 ILE 41 6.011 4.570 2.405 118 H ARG 42 H ARG 42 7.473 0.809 4.015 119 HA ARG 42 HA ARG 42 5.401 -1.010 4.935 120 HB2 ARG 42 1HB ARG 42 7.897 -0.322 5.927 121 HB3 ARG 42 2HB ARG 42 6.778 0.492 7.011 122 HG2 ARG 42 1HG ARG 42 5.609 -1.667 7.348 123 HG3 ARG 42 2HG ARG 42 6.848 -2.446 6.364 124 HD2 ARG 42 1HD ARG 42 8.473 -2.193 7.965 125 HD3 ARG 42 2HD ARG 42 7.703 -0.775 8.676 126 HE ARG 42 HE ARG 42 5.950 -2.711 9.265 127 HH11 ARG 42 1HH1 ARG 42 9.392 -2.544 9.641 128 HH12 ARG 42 2HH1 ARG 42 9.413 -3.586 11.018 129 HH21 ARG 42 1HH2 ARG 42 5.977 -4.069 11.060 130 HH22 ARG 42 2HH2 ARG 42 7.492 -4.448 11.819 131 H VAL 43 H VAL 43 3.416 -0.281 5.042 132 HA VAL 43 HA VAL 43 2.922 2.542 5.696 133 HB VAL 43 HB VAL 43 1.007 0.485 4.567 134 HG11 VAL 43 1HG1 VAL 43 0.496 2.960 5.779 135 HG12 VAL 43 2HG1 VAL 43 -0.622 1.972 4.840 136 HG13 VAL 43 3HG1 VAL 43 0.334 3.222 4.042 137 HG21 VAL 43 3HG2 VAL 43 1.333 1.501 2.433 138 HG22 VAL 43 1HG2 VAL 43 2.921 1.085 3.078 139 HG23 VAL 43 2HG2 VAL 43 2.359 2.757 3.128 140 H GLU 44 H GLU 44 2.845 2.777 7.838 141 HA GLU 44 HA GLU 44 1.880 0.779 9.629 142 HB2 GLU 44 1HB GLU 44 3.563 2.751 10.020 143 HB3 GLU 44 2HB GLU 44 2.109 3.659 10.412 144 HG2 GLU 44 1HG GLU 44 2.522 2.922 12.484 145 HG3 GLU 44 2HG GLU 44 1.709 1.466 11.915 146 H VAL 45 H VAL 45 -0.148 0.267 9.980 147 HA VAL 45 HA VAL 45 -2.270 2.176 9.326 148 HB VAL 45 HB VAL 45 -2.271 -0.819 9.684 149 HG11 VAL 45 1HG1 VAL 45 -4.332 -0.119 10.638 150 HG12 VAL 45 2HG1 VAL 45 -4.674 -0.711 9.012 151 HG13 VAL 45 3HG1 VAL 45 -4.617 1.023 9.324 152 HG21 VAL 45 3HG2 VAL 45 -1.629 0.648 7.507 153 HG22 VAL 45 1HG2 VAL 45 -3.363 0.437 7.265 154 HG23 VAL 45 2HG2 VAL 45 -2.319 -0.973 7.439 155 H MET 46 H MET 46 -2.557 3.450 11.060 156 HA MET 46 HA MET 46 -3.683 2.208 13.435 157 HB2 MET 46 1HB MET 46 -2.290 3.924 14.827 158 HB3 MET 46 2HB MET 46 -1.566 2.396 14.351 159 HG2 MET 46 1HG MET 46 -0.630 3.640 12.348 160 HG3 MET 46 2HG MET 46 -1.109 5.114 13.186 161 HE1 MET 46 3HE MET 46 -0.608 5.533 15.563 162 HE2 MET 46 1HE MET 46 0.873 6.300 14.986 163 HE3 MET 46 2HE MET 46 0.931 5.180 16.347 164 H GLY 47 H GLY 47 -5.666 3.055 12.861 165 HA2 GLY 47 1HA GLY 47 -7.333 4.658 13.079 166 HA3 GLY 47 2HA GLY 47 -6.102 5.823 13.549 167 H GLY 48 H GLY 48 -5.015 4.404 10.824 168 HA2 GLY 48 1HA GLY 48 -6.396 5.261 8.642 169 HA3 GLY 48 2HA GLY 48 -5.543 6.699 9.184 170 H TYR 49 H TYR 49 -4.203 6.789 7.365 171 HA TYR 49 HA TYR 49 -2.248 4.591 7.148 172 HB2 TYR 49 1HB TYR 49 -3.127 6.545 5.006 173 HB3 TYR 49 2HB TYR 49 -1.923 5.278 4.798 174 HD1 TYR 49 HD2 TYR 49 -2.723 2.844 5.228 175 HD2 TYR 49 HD1 TYR 49 -5.363 6.107 4.530 176 HE1 TYR 49 HE2 TYR 49 -4.497 1.266 4.590 177 HE2 TYR 49 HE1 TYR 49 -7.145 4.538 3.894 178 HH TYR 49 HH TYR 49 -7.269 1.496 4.633 179 H THR 50 H THR 50 -0.151 5.067 7.554 180 HA THR 50 HA THR 50 0.523 7.644 8.542 181 HB THR 50 HB THR 50 2.257 5.241 7.971 182 HG1 THR 50 HG1 THR 50 0.878 4.996 9.739 183 HG21 THR 50 3HG2 THR 50 3.473 7.478 7.799 184 HG22 THR 50 1HG2 THR 50 4.101 6.326 8.980 185 HG23 THR 50 2HG2 THR 50 3.109 7.684 9.514 186 HA PRO 51 HA PRO 51 3.069 8.449 4.607 187 HB2 PRO 51 1HB PRO 51 3.214 6.643 2.609 188 HB3 PRO 51 2HB PRO 51 4.319 6.607 3.988 189 HG2 PRO 51 1HG PRO 51 1.870 4.965 3.483 190 HG3 PRO 51 2HG PRO 51 3.445 4.459 4.119 191 HD2 PRO 51 1HD PRO 51 1.286 4.925 5.709 192 HD3 PRO 51 2HD PRO 51 2.962 5.171 6.239 193 H GLU 52 H GLU 52 1.405 9.892 4.209 194 HA GLU 52 HA GLU 52 -1.096 9.403 3.155 195 HB2 GLU 52 1HB GLU 52 -0.952 11.796 2.267 196 HB3 GLU 52 2HB GLU 52 -0.728 11.562 3.994 197 HG2 GLU 52 1HG GLU 52 1.810 11.411 2.704 198 HG3 GLU 52 2HG GLU 52 0.973 12.864 2.163 199 H LEU 53 H LEU 53 1.896 10.048 1.351 200 HA LEU 53 HA LEU 53 0.587 8.932 -1.026 201 HB2 LEU 53 1HB LEU 53 2.603 10.845 -1.772 202 HB3 LEU 53 2HB LEU 53 0.931 10.742 -2.268 203 HG LEU 53 HG LEU 53 1.505 11.926 0.395 204 HD11 LEU 53 1HD1 LEU 53 1.560 14.136 -1.131 205 HD12 LEU 53 2HD1 LEU 53 2.421 13.017 -2.188 206 HD13 LEU 53 3HD1 LEU 53 3.009 13.316 -0.552 207 HD21 LEU 53 3HD2 LEU 53 -0.797 11.526 -0.639 208 HD22 LEU 53 1HD2 LEU 53 -0.397 12.842 -1.746 209 HD23 LEU 53 2HD2 LEU 53 -0.468 13.140 -0.008 210 H ILE 54 H ILE 54 1.630 7.167 -1.679 211 HA ILE 54 HA ILE 54 4.445 6.824 -0.918 212 HB ILE 54 HB ILE 54 4.055 4.448 -1.823 213 HG12 ILE 54 1HG1 ILE 54 1.171 5.276 -1.439 214 HG13 ILE 54 2HG1 ILE 54 1.935 4.968 -2.996 215 HG21 ILE 54 1HG2 ILE 54 3.621 5.651 0.679 216 HG22 ILE 54 2HG2 ILE 54 4.029 3.971 0.334 217 HG23 ILE 54 3HG2 ILE 54 2.340 4.459 0.461 218 HD11 ILE 54 3HD1 ILE 54 2.482 2.667 -1.668 219 HD12 ILE 54 1HD1 ILE 54 1.094 2.913 -2.730 220 HD13 ILE 54 2HD1 ILE 54 0.916 3.103 -0.984 221 H VAL 55 H VAL 55 6.052 7.003 -2.331 222 HA VAL 55 HA VAL 55 5.367 7.351 -5.162 223 HB VAL 55 HB VAL 55 7.952 7.988 -3.729 224 HG11 VAL 55 1HG1 VAL 55 7.877 7.482 -6.300 225 HG12 VAL 55 2HG1 VAL 55 8.805 8.845 -5.675 226 HG13 VAL 55 3HG1 VAL 55 7.213 9.114 -6.385 227 HG21 VAL 55 3HG2 VAL 55 6.064 9.381 -2.998 228 HG22 VAL 55 1HG2 VAL 55 5.770 9.839 -4.675 229 HG23 VAL 55 2HG2 VAL 55 7.274 10.311 -3.885 230 H LEU 56 H LEU 56 5.824 5.890 -6.647 231 HA LEU 56 HA LEU 56 7.931 3.899 -6.150 232 HB2 LEU 56 1HB LEU 56 5.141 3.282 -7.133 233 HB3 LEU 56 2HB LEU 56 6.464 2.133 -7.079 234 HG LEU 56 HG LEU 56 5.757 3.467 -4.525 235 HD11 LEU 56 1HD1 LEU 56 3.878 2.068 -4.093 236 HD12 LEU 56 2HD1 LEU 56 4.073 1.232 -5.633 237 HD13 LEU 56 3HD1 LEU 56 3.571 2.922 -5.604 238 HD21 LEU 56 3HD2 LEU 56 7.520 1.592 -5.107 239 HD22 LEU 56 1HD2 LEU 56 6.115 0.543 -4.908 240 HD23 LEU 56 2HD2 LEU 56 6.634 1.584 -3.582 241 H LYS 57 H LYS 57 8.527 2.684 -8.162 242 HA LYS 57 HA LYS 57 8.683 4.548 -10.396 243 HB2 LYS 57 1HB LYS 57 10.183 2.170 -9.492 244 HB3 LYS 57 2HB LYS 57 10.054 2.358 -11.235 245 HG2 LYS 57 1HG LYS 57 11.220 4.369 -11.229 246 HG3 LYS 57 2HG LYS 57 10.945 4.632 -9.506 247 HD2 LYS 57 1HD LYS 57 12.618 3.193 -8.882 248 HD3 LYS 57 2HD LYS 57 12.476 2.221 -10.347 249 HE2 LYS 57 1HE LYS 57 13.548 3.962 -11.643 250 HE3 LYS 57 2HE LYS 57 13.610 5.013 -10.228 251 HZ1 LYS 57 3HZ LYS 57 14.966 3.145 -9.168 252 HZ2 LYS 57 1HZ LYS 57 15.725 4.080 -10.369 253 HZ3 LYS 57 2HZ LYS 57 15.141 2.539 -10.746 254 H LYS 58 H LYS 58 8.648 3.340 -12.665 255 HA LYS 58 HA LYS 58 6.043 1.970 -12.773 256 HB2 LYS 58 1HB LYS 58 6.298 4.172 -13.945 257 HB3 LYS 58 2HB LYS 58 7.464 3.409 -15.016 258 HG2 LYS 58 1HG LYS 58 5.715 1.820 -15.731 259 HG3 LYS 58 2HG LYS 58 4.557 2.685 -14.719 260 HD2 LYS 58 1HD LYS 58 4.200 3.640 -16.797 261 HD3 LYS 58 2HD LYS 58 5.339 4.770 -16.059 262 HE2 LYS 58 1HE LYS 58 6.835 2.728 -17.343 263 HE3 LYS 58 2HE LYS 58 5.608 3.293 -18.475 264 HZ1 LYS 58 3HZ LYS 58 7.544 5.035 -17.021 265 HZ2 LYS 58 1HZ LYS 58 6.383 5.551 -18.150 266 HZ3 LYS 58 2HZ LYS 58 7.664 4.566 -18.649 267 H SER 59 H SER 59 5.717 0.169 -14.060 268 HA SER 59 HA SER 59 6.162 -1.817 -15.058 269 HB2 SER 59 1HB SER 59 7.191 -0.461 -16.838 270 HB3 SER 59 2HB SER 59 8.730 -0.500 -15.977 271 HG SER 59 HG SER 59 8.507 -2.873 -16.143 272 H VAL 60 H VAL 60 7.242 -1.075 -12.329 273 HA VAL 60 HA VAL 60 9.136 -3.320 -12.085 274 HB VAL 60 HB VAL 60 10.148 -1.023 -11.730 275 HG11 VAL 60 1HG1 VAL 60 8.466 0.168 -10.600 276 HG12 VAL 60 2HG1 VAL 60 9.747 -0.083 -9.413 277 HG13 VAL 60 3HG1 VAL 60 8.296 -1.084 -9.369 278 HG21 VAL 60 3HG2 VAL 60 11.296 -2.948 -10.890 279 HG22 VAL 60 1HG2 VAL 60 10.239 -3.023 -9.480 280 HG23 VAL 60 2HG2 VAL 60 11.369 -1.681 -9.664 281 HA PRO 61 HA PRO 61 6.068 -5.043 -9.343 282 HB2 PRO 61 1HB PRO 61 7.720 -6.759 -7.970 283 HB3 PRO 61 2HB PRO 61 7.033 -7.107 -9.560 284 HG2 PRO 61 1HG PRO 61 9.760 -6.110 -8.848 285 HG3 PRO 61 2HG PRO 61 9.284 -7.296 -10.078 286 HD2 PRO 61 1HD PRO 61 9.913 -4.749 -10.706 287 HD3 PRO 61 2HD PRO 61 8.679 -5.662 -11.598 288 H ALA 62 H ALA 62 5.285 -4.015 -7.608 289 HA ALA 62 HA ALA 62 7.187 -3.205 -5.500 290 HB1 ALA 62 3HB ALA 62 5.226 -1.384 -5.200 291 HB2 ALA 62 1HB ALA 62 5.166 -1.629 -6.946 292 HB3 ALA 62 2HB ALA 62 6.672 -1.123 -6.178 293 H ARG 63 H ARG 63 6.615 -3.578 -3.399 294 HA ARG 63 HA ARG 63 3.973 -4.797 -2.979 295 HB2 ARG 63 1HB ARG 63 4.870 -6.413 -1.498 296 HB3 ARG 63 2HB ARG 63 5.877 -6.431 -2.935 297 HG2 ARG 63 1HG ARG 63 7.362 -4.787 -1.540 298 HG3 ARG 63 2HG ARG 63 6.515 -5.528 -0.181 299 HD2 ARG 63 1HD ARG 63 7.143 -7.763 -1.319 300 HD3 ARG 63 2HD ARG 63 8.334 -6.800 -2.190 301 HE ARG 63 HE ARG 63 8.957 -6.109 0.251 302 HH11 ARG 63 1HH1 ARG 63 8.086 -9.269 -0.888 303 HH12 ARG 63 2HH1 ARG 63 9.019 -10.086 0.315 304 HH21 ARG 63 1HH2 ARG 63 10.162 -7.174 1.817 305 HH22 ARG 63 2HH2 ARG 63 10.190 -8.908 1.839 306 H ILE 64 H ILE 64 2.736 -3.918 -1.527 307 HA ILE 64 HA ILE 64 3.843 -1.821 0.208 308 HB ILE 64 HB ILE 64 0.907 -2.338 -0.118 309 HG12 ILE 64 1HG1 ILE 64 2.012 -2.213 -2.397 310 HG13 ILE 64 2HG1 ILE 64 0.774 -1.002 -2.088 311 HG21 ILE 64 1HG2 ILE 64 2.257 0.318 0.118 312 HG22 ILE 64 2HG2 ILE 64 2.010 -0.694 1.540 313 HG23 ILE 64 3HG2 ILE 64 0.626 -0.153 0.591 314 HD11 ILE 64 3HD1 ILE 64 2.206 0.619 -2.539 315 HD12 ILE 64 1HD1 ILE 64 3.412 -0.600 -2.950 316 HD13 ILE 64 2HD1 ILE 64 3.322 0.031 -1.304 317 H VAL 65 H VAL 65 4.296 -2.363 2.247 318 HA VAL 65 HA VAL 65 3.033 -4.714 3.434 319 HB VAL 65 HB VAL 65 5.120 -3.016 4.781 320 HG11 VAL 65 1HG1 VAL 65 5.012 -4.591 6.343 321 HG12 VAL 65 2HG1 VAL 65 5.427 -5.821 5.149 322 HG13 VAL 65 3HG1 VAL 65 3.738 -5.401 5.431 323 HG21 VAL 65 3HG2 VAL 65 6.806 -3.758 3.499 324 HG22 VAL 65 1HG2 VAL 65 5.550 -4.046 2.294 325 HG23 VAL 65 2HG2 VAL 65 6.100 -5.364 3.328 326 H PHE 66 H PHE 66 1.101 -4.355 4.348 327 HA PHE 66 HA PHE 66 0.610 -1.832 5.747 328 HB2 PHE 66 1HB PHE 66 -1.195 -4.070 4.841 329 HB3 PHE 66 2HB PHE 66 -1.764 -2.773 5.889 330 HD1 PHE 66 HD2 PHE 66 -1.372 -0.359 5.027 331 HD2 PHE 66 HD1 PHE 66 -1.279 -3.818 2.549 332 HE1 PHE 66 HE2 PHE 66 -1.772 1.049 3.052 333 HE2 PHE 66 HE1 PHE 66 -1.677 -2.415 0.569 334 HZ PHE 66 HZ PHE 66 -1.924 0.024 0.820 335 H ASP 67 H ASP 67 1.418 -1.857 7.756 336 HA ASP 67 HA ASP 67 1.203 -4.249 9.416 337 HB2 ASP 67 1HB ASP 67 3.210 -2.499 9.211 338 HB3 ASP 67 2HB ASP 67 2.299 -1.684 10.480 339 H ARG 68 H ARG 68 -0.774 -4.537 10.294 340 HA ARG 68 HA ARG 68 -2.456 -2.302 10.988 341 HB2 ARG 68 1HB ARG 68 -2.871 -5.005 10.379 342 HB3 ARG 68 2HB ARG 68 -3.383 -4.820 12.051 343 HG2 ARG 68 1HG ARG 68 -4.425 -2.619 10.628 344 HG3 ARG 68 2HG ARG 68 -4.738 -4.060 9.661 345 HD2 ARG 68 1HD ARG 68 -5.276 -4.248 12.566 346 HD3 ARG 68 2HD ARG 68 -6.363 -3.235 11.617 347 HE ARG 68 HE ARG 68 -5.911 -5.839 10.485 348 HH11 ARG 68 1HH1 ARG 68 -7.843 -3.995 12.695 349 HH12 ARG 68 2HH1 ARG 68 -9.188 -5.079 12.608 350 HH21 ARG 68 1HH2 ARG 68 -7.658 -7.238 10.365 351 HH22 ARG 68 2HH2 ARG 68 -9.090 -6.904 11.296 352 H LYS 69 H LYS 69 -1.734 -1.139 12.656 353 HA LYS 69 HA LYS 69 -0.828 -2.450 15.102 354 HB2 LYS 69 1HB LYS 69 0.440 -0.534 14.215 355 HB3 LYS 69 2HB LYS 69 -0.983 0.482 14.370 356 HG2 LYS 69 1HG LYS 69 -0.283 -0.829 16.865 357 HG3 LYS 69 2HG LYS 69 1.022 0.175 16.233 358 HD2 LYS 69 1HD LYS 69 -0.134 2.104 16.537 359 HD3 LYS 69 2HD LYS 69 -1.689 1.354 16.169 360 HE2 LYS 69 1HE LYS 69 -1.496 0.184 18.409 361 HE3 LYS 69 2HE LYS 69 -0.150 1.269 18.752 362 HZ1 LYS 69 3HZ LYS 69 -2.959 2.069 18.159 363 HZ2 LYS 69 1HZ LYS 69 -1.665 3.149 18.383 364 HZ3 LYS 69 2HZ LYS 69 -2.170 2.163 19.661 365 H ASP 70 H ASP 70 -3.467 -0.393 13.950 366 HA ASP 70 HA ASP 70 -4.777 -0.700 16.568 367 HB2 ASP 70 1HB ASP 70 -4.429 1.558 14.940 368 HB3 ASP 70 2HB ASP 70 -6.136 1.146 14.813 369 HA PRO 71 HA PRO 71 -7.683 -3.437 14.616 370 HB2 PRO 71 1HB PRO 71 -9.354 -3.800 16.659 371 HB3 PRO 71 2HB PRO 71 -7.682 -4.373 16.742 372 HG2 PRO 71 1HG PRO 71 -8.889 -1.885 17.901 373 HG3 PRO 71 2HG PRO 71 -7.774 -3.041 18.659 374 HD2 PRO 71 1HD PRO 71 -6.991 -0.662 17.529 375 HD3 PRO 71 2HD PRO 71 -5.935 -2.079 17.684 376 H SER 72 H SER 72 -8.059 -0.627 13.979 377 HA SER 72 HA SER 72 -10.732 0.181 14.463 378 HB2 SER 72 1HB SER 72 -9.118 1.036 12.065 379 HB3 SER 72 2HB SER 72 -10.315 1.964 12.968 380 HG SER 72 HG SER 72 -8.874 2.335 14.539 381 HA PRO 73 HA PRO 73 -12.955 -2.515 11.720 382 HB2 PRO 73 1HB PRO 73 -15.163 -0.945 11.327 383 HB3 PRO 73 2HB PRO 73 -14.888 -1.916 12.779 384 HG2 PRO 73 1HG PRO 73 -14.373 1.001 12.323 385 HG3 PRO 73 2HG PRO 73 -15.118 0.204 13.726 386 HD2 PRO 73 1HD PRO 73 -12.561 1.000 13.779 387 HD3 PRO 73 2HD PRO 73 -13.067 -0.513 14.560 388 H CYS 74 H CYS 74 -12.552 0.897 10.858 389 HA CYS 74 HA CYS 74 -13.182 0.493 8.090 390 HB2 CYS 74 1HB CYS 74 -12.011 2.860 7.992 391 HB3 CYS 74 2HB CYS 74 -13.620 2.672 8.679 392 HG CYS 74 HG CYS 74 -13.054 3.341 11.127 393 H LEU 75 H LEU 75 -10.556 -0.411 9.870 394 HA LEU 75 HA LEU 75 -8.745 -0.202 7.552 395 HB2 LEU 75 1HB LEU 75 -8.169 -0.081 10.501 396 HB3 LEU 75 2HB LEU 75 -6.918 -0.441 9.329 397 HG LEU 75 HG LEU 75 -8.573 2.076 9.215 398 HD11 LEU 75 1HD1 LEU 75 -7.538 2.467 11.207 399 HD12 LEU 75 2HD1 LEU 75 -6.262 2.989 10.106 400 HD13 LEU 75 3HD1 LEU 75 -6.189 1.390 10.846 401 HD21 LEU 75 3HD2 LEU 75 -7.587 1.958 7.165 402 HD22 LEU 75 1HD2 LEU 75 -6.244 0.972 7.743 403 HD23 LEU 75 2HD2 LEU 75 -6.267 2.706 8.064 404 H ASP 76 H ASP 76 -10.722 -2.332 8.760 405 HA ASP 76 HA ASP 76 -9.117 -4.575 9.436 406 HB2 ASP 76 1HB ASP 76 -11.618 -4.179 9.904 407 HB3 ASP 76 2HB ASP 76 -11.886 -4.750 8.260 408 H GLN 77 H GLN 77 -10.508 -3.433 6.396 409 HA GLN 77 HA GLN 77 -8.920 -5.476 4.983 410 HB2 GLN 77 1HB GLN 77 -11.468 -4.313 3.877 411 HB3 GLN 77 2HB GLN 77 -10.609 -5.753 3.352 412 HG2 GLN 77 1HG GLN 77 -11.227 -6.870 5.444 413 HG3 GLN 77 2HG GLN 77 -12.117 -5.430 5.936 414 HE21 GLN 77 2HE2 GLN 77 -12.383 -8.404 4.542 415 HE22 GLN 77 1HE2 GLN 77 -13.892 -8.189 3.718 416 H ILE 78 H ILE 78 -8.410 -4.847 2.699 417 HA ILE 78 HA ILE 78 -8.282 -1.955 2.277 418 HB ILE 78 HB ILE 78 -6.137 -2.496 3.318 419 HG12 ILE 78 1HG1 ILE 78 -4.925 -2.072 0.791 420 HG13 ILE 78 2HG1 ILE 78 -6.510 -1.309 0.734 421 HG21 ILE 78 1HG2 ILE 78 -4.514 -3.907 1.946 422 HG22 ILE 78 2HG2 ILE 78 -5.944 -4.536 1.127 423 HG23 ILE 78 3HG2 ILE 78 -5.755 -4.760 2.866 424 HD11 ILE 78 3HD1 ILE 78 -4.498 0.067 1.533 425 HD12 ILE 78 1HD1 ILE 78 -4.673 -0.832 3.041 426 HD13 ILE 78 2HD1 ILE 78 -6.004 0.162 2.448 427 H VAL 79 H VAL 79 -8.725 -1.385 0.247 428 HA VAL 79 HA VAL 79 -8.383 -3.384 -1.871 429 HB VAL 79 HB VAL 79 -10.645 -3.674 -1.686 430 HG11 VAL 79 1HG1 VAL 79 -11.018 -2.209 0.178 431 HG12 VAL 79 2HG1 VAL 79 -12.259 -1.927 -1.044 432 HG13 VAL 79 3HG1 VAL 79 -10.920 -0.791 -0.867 433 HG21 VAL 79 3HG2 VAL 79 -10.493 -3.030 -3.924 434 HG22 VAL 79 1HG2 VAL 79 -10.255 -1.330 -3.519 435 HG23 VAL 79 2HG2 VAL 79 -11.840 -2.076 -3.304 436 H PHE 80 H PHE 80 -7.510 -2.656 -3.671 437 HA PHE 80 HA PHE 80 -6.914 0.205 -3.884 438 HB2 PHE 80 1HB PHE 80 -5.738 -2.306 -5.013 439 HB3 PHE 80 2HB PHE 80 -5.507 -0.805 -5.894 440 HD1 PHE 80 HD1 PHE 80 -5.023 -2.356 -2.556 441 HD2 PHE 80 HD2 PHE 80 -3.791 0.645 -5.310 442 HE1 PHE 80 HE1 PHE 80 -3.115 -1.813 -1.102 443 HE2 PHE 80 HE2 PHE 80 -1.878 1.197 -3.859 444 HZ PHE 80 HZ PHE 80 -1.539 -0.036 -1.753 445 HA PRO 81 HA PRO 81 -10.487 0.200 -6.685 446 HB2 PRO 81 1HB PRO 81 -9.959 3.098 -6.664 447 HB3 PRO 81 2HB PRO 81 -11.425 2.213 -6.247 448 HG2 PRO 81 1HG PRO 81 -9.918 3.391 -4.372 449 HG3 PRO 81 2HG PRO 81 -10.769 1.863 -4.071 450 HD2 PRO 81 1HD PRO 81 -7.881 2.335 -4.679 451 HD3 PRO 81 2HD PRO 81 -8.622 1.200 -3.534 452 H ASP 82 H ASP 82 -7.290 1.469 -7.185 453 HA ASP 82 HA ASP 82 -7.851 1.906 -10.026 454 HB2 ASP 82 1HB ASP 82 -5.465 2.657 -8.332 455 HB3 ASP 82 2HB ASP 82 -5.581 2.947 -10.066 456 H PHE 83 H PHE 83 -6.743 -0.581 -8.075 457 HA PHE 83 HA PHE 83 -5.214 -1.729 -10.324 458 HB2 PHE 83 1HB PHE 83 -4.724 -1.898 -7.366 459 HB3 PHE 83 2HB PHE 83 -4.111 -3.143 -8.448 460 HD1 PHE 83 HD2 PHE 83 -2.350 -2.656 -10.037 461 HD2 PHE 83 HD1 PHE 83 -3.826 0.341 -7.402 462 HE1 PHE 83 HE2 PHE 83 -0.396 -1.248 -10.546 463 HE2 PHE 83 HE1 PHE 83 -1.879 1.751 -7.906 464 HZ PHE 83 HZ PHE 83 -0.162 0.960 -9.481 465 H GLY 84 H GLY 84 -7.797 -2.182 -8.061 466 HA2 GLY 84 1HA GLY 84 -9.533 -3.734 -8.213 467 HA3 GLY 84 2HA GLY 84 -8.637 -4.578 -9.468 468 H VAL 85 H VAL 85 -7.041 -3.798 -6.519 469 HA VAL 85 HA VAL 85 -6.929 -6.650 -5.833 470 HB VAL 85 HB VAL 85 -5.117 -4.332 -5.164 471 HG11 VAL 85 1HG1 VAL 85 -5.551 -6.701 -3.624 472 HG12 VAL 85 2HG1 VAL 85 -4.438 -5.367 -3.327 473 HG13 VAL 85 3HG1 VAL 85 -3.929 -6.737 -4.314 474 HG21 VAL 85 3HG2 VAL 85 -3.440 -5.684 -6.356 475 HG22 VAL 85 1HG2 VAL 85 -4.812 -5.256 -7.378 476 HG23 VAL 85 2HG2 VAL 85 -4.683 -6.883 -6.711 477 H HIS 86 H HIS 86 -8.116 -7.348 -4.176 478 HA HIS 86 HA HIS 86 -8.680 -5.494 -1.950 479 HB2 HIS 86 1HB HIS 86 -10.854 -6.929 -1.714 480 HB3 HIS 86 2HB HIS 86 -10.795 -5.628 -2.893 481 HD1 HIS 86 HD1 HIS 86 -9.776 -9.307 -3.068 482 HD2 HIS 86 HD2 HIS 86 -12.051 -6.492 -5.116 483 HE1 HIS 86 HE1 HIS 86 -10.704 -10.516 -5.071 484 H ALA 87 H ALA 87 -7.836 -6.185 -0.089 485 HA ALA 87 HA ALA 87 -7.766 -9.073 0.452 486 HB1 ALA 87 3HB ALA 87 -5.549 -8.090 -0.473 487 HB2 ALA 87 1HB ALA 87 -5.509 -9.170 0.919 488 HB3 ALA 87 2HB ALA 87 -5.374 -7.428 1.152 489 H ASN 88 H ASN 88 -7.101 -9.514 2.765 490 HA ASN 88 HA ASN 88 -8.390 -7.544 4.538 491 HB2 ASN 88 1HB ASN 88 -8.914 -10.263 4.181 492 HB3 ASN 88 2HB ASN 88 -8.009 -10.189 5.690 493 HD21 ASN 88 2HD2 ASN 88 -8.805 -8.647 7.313 494 HD22 ASN 88 1HD2 ASN 88 -10.509 -8.391 7.438 495 H LEU 89 H LEU 89 -7.354 -6.851 6.393 496 HA LEU 89 HA LEU 89 -4.506 -7.547 6.558 497 HB2 LEU 89 1HB LEU 89 -5.927 -5.257 7.908 498 HB3 LEU 89 2HB LEU 89 -4.195 -5.498 7.776 499 HG LEU 89 HG LEU 89 -6.023 -4.983 5.428 500 HD11 LEU 89 1HD1 LEU 89 -4.330 -3.142 7.090 501 HD12 LEU 89 2HD1 LEU 89 -6.035 -2.989 6.665 502 HD13 LEU 89 3HD1 LEU 89 -4.795 -2.758 5.433 503 HD21 LEU 89 3HD2 LEU 89 -3.063 -5.338 5.739 504 HD22 LEU 89 1HD2 LEU 89 -3.737 -4.406 4.402 505 HD23 LEU 89 2HD2 LEU 89 -4.162 -6.107 4.593 506 HA PRO 90 HA PRO 90 -5.421 -9.752 10.328 507 HB2 PRO 90 1HB PRO 90 -2.918 -10.596 10.851 508 HB3 PRO 90 2HB PRO 90 -3.883 -11.280 9.540 509 HG2 PRO 90 1HG PRO 90 -1.664 -9.290 9.421 510 HG3 PRO 90 2HG PRO 90 -2.050 -10.608 8.305 511 HD2 PRO 90 1HD PRO 90 -2.687 -7.944 7.906 512 HD3 PRO 90 2HD PRO 90 -3.485 -9.312 7.107 513 H MET 91 H MET 91 -5.697 -8.941 12.313 514 HA MET 91 HA MET 91 -4.507 -6.521 13.156 515 HB2 MET 91 1HB MET 91 -6.719 -7.161 13.909 516 HB3 MET 91 2HB MET 91 -6.069 -8.587 14.708 517 HG2 MET 91 1HG MET 91 -6.612 -6.721 16.240 518 HG3 MET 91 2HG MET 91 -4.940 -7.262 16.326 519 HE1 MET 91 3HE MET 91 -3.891 -3.708 16.918 520 HE2 MET 91 1HE MET 91 -3.436 -5.407 17.057 521 HE3 MET 91 2HE MET 91 -4.947 -4.837 17.767 522 H GLY 92 H GLY 92 -2.637 -6.128 14.116 523 HA2 GLY 92 1HA GLY 92 -0.877 -6.424 15.627 524 HA3 GLY 92 2HA GLY 92 -1.433 -8.066 15.917 525 H GLU 93 H GLU 93 -1.313 -7.608 12.633 526 HA GLU 93 HA GLU 93 1.498 -8.433 12.419 527 HB2 GLU 93 1HB GLU 93 -0.836 -9.823 11.090 528 HB3 GLU 93 2HB GLU 93 0.858 -10.173 10.777 529 HG2 GLU 93 1HG GLU 93 1.155 -10.933 13.051 530 HG3 GLU 93 2HG GLU 93 -0.505 -10.484 13.444 531 H GLU 94 H GLU 94 2.026 -8.609 9.911 532 HA GLU 94 HA GLU 94 0.914 -6.189 8.657 533 HB2 GLU 94 1HB GLU 94 3.134 -5.958 7.518 534 HB3 GLU 94 2HB GLU 94 3.177 -5.729 9.259 535 HG2 GLU 94 1HG GLU 94 3.757 -8.315 9.199 536 HG3 GLU 94 2HG GLU 94 4.341 -7.881 7.594 537 H TYR 95 H TYR 95 0.128 -6.312 6.653 538 HA TYR 95 HA TYR 95 0.419 -8.873 5.214 539 HB2 TYR 95 1HB TYR 95 -1.902 -8.054 6.079 540 HB3 TYR 95 2HB TYR 95 -1.831 -6.940 4.719 541 HD1 TYR 95 HD1 TYR 95 -1.907 -10.510 5.670 542 HD2 TYR 95 HD2 TYR 95 -2.226 -7.696 2.494 543 HE1 TYR 95 HE1 TYR 95 -2.761 -12.279 4.193 544 HE2 TYR 95 HE2 TYR 95 -3.079 -9.460 1.009 545 HH TYR 95 HH TYR 95 -2.905 -12.013 0.893 546 H VAL 96 H VAL 96 1.447 -8.809 3.309 547 HA VAL 96 HA VAL 96 2.051 -6.177 2.196 548 HB VAL 96 HB VAL 96 3.847 -7.955 2.753 549 HG11 VAL 96 1HG1 VAL 96 4.064 -9.799 1.523 550 HG12 VAL 96 2HG1 VAL 96 3.805 -8.921 0.015 551 HG13 VAL 96 3HG1 VAL 96 2.423 -9.484 0.956 552 HG21 VAL 96 3HG2 VAL 96 3.694 -6.261 0.294 553 HG22 VAL 96 1HG2 VAL 96 5.135 -7.218 0.639 554 HG23 VAL 96 2HG2 VAL 96 4.596 -5.991 1.786 555 H VAL 97 H VAL 97 1.425 -5.480 0.270 556 HA VAL 97 HA VAL 97 -0.216 -7.283 -1.396 557 HB VAL 97 HB VAL 97 -0.368 -4.282 -1.046 558 HG11 VAL 97 1HG1 VAL 97 -2.083 -5.937 -2.888 559 HG12 VAL 97 2HG1 VAL 97 -0.672 -5.030 -3.434 560 HG13 VAL 97 3HG1 VAL 97 -2.047 -4.181 -2.727 561 HG21 VAL 97 3HG2 VAL 97 -1.522 -5.292 0.715 562 HG22 VAL 97 1HG2 VAL 97 -2.151 -6.579 -0.314 563 HG23 VAL 97 2HG2 VAL 97 -2.777 -4.937 -0.471 564 H GLU 98 H GLU 98 0.859 -7.960 -3.132 565 HA GLU 98 HA GLU 98 3.011 -6.325 -4.238 566 HB2 GLU 98 1HB GLU 98 2.289 -9.197 -4.315 567 HB3 GLU 98 2HB GLU 98 3.081 -8.554 -5.747 568 HG2 GLU 98 1HG GLU 98 5.044 -8.129 -4.644 569 HG3 GLU 98 2HG GLU 98 4.251 -7.964 -3.078 570 H ILE 99 H ILE 99 2.673 -5.018 -5.890 571 HA ILE 99 HA ILE 99 0.725 -5.776 -7.963 572 HB ILE 99 HB ILE 99 0.359 -3.122 -8.029 573 HG12 ILE 99 1HG1 ILE 99 0.594 -3.719 -5.071 574 HG13 ILE 99 2HG1 ILE 99 1.803 -2.826 -5.991 575 HG21 ILE 99 1HG2 ILE 99 -1.734 -3.537 -6.696 576 HG22 ILE 99 2HG2 ILE 99 -1.120 -5.160 -6.382 577 HG23 ILE 99 3HG2 ILE 99 -1.454 -4.648 -8.036 578 HD11 ILE 99 3HD1 ILE 99 -0.601 -1.889 -4.778 579 HD12 ILE 99 1HD1 ILE 99 -0.667 -1.598 -6.517 580 HD13 ILE 99 2HD1 ILE 99 0.683 -0.971 -5.568 581 H THR 100 H THR 100 1.070 -4.733 -10.020 582 HA THR 100 HA THR 100 3.833 -3.758 -10.356 583 HB THR 100 HB THR 100 2.326 -5.213 -12.515 584 HG1 THR 100 HG1 THR 100 3.291 -7.117 -11.806 585 HG21 THR 100 3HG2 THR 100 4.398 -3.823 -12.993 586 HG22 THR 100 1HG2 THR 100 4.454 -5.505 -13.518 587 HG23 THR 100 2HG2 THR 100 5.295 -5.011 -12.050 588 HA PRO 101 HA PRO 101 1.302 -0.263 -11.849 589 HB2 PRO 101 1HB PRO 101 3.224 1.607 -11.473 590 HB3 PRO 101 2HB PRO 101 2.202 1.011 -10.159 591 HG2 PRO 101 1HG PRO 101 4.994 0.212 -10.897 592 HG3 PRO 101 2HG PRO 101 4.318 0.548 -9.294 593 HD2 PRO 101 1HD PRO 101 4.662 -1.964 -10.225 594 HD3 PRO 101 2HD PRO 101 3.330 -1.529 -9.136 595 H GLU 102 H GLU 102 1.223 -0.840 -14.028 596 HA GLU 102 HA GLU 102 3.618 -0.400 -15.656 597 HB2 GLU 102 1HB GLU 102 0.956 -1.662 -16.321 598 HB3 GLU 102 2HB GLU 102 2.263 -1.451 -17.478 599 HG2 GLU 102 1HG GLU 102 3.318 -3.266 -16.753 600 HG3 GLU 102 2HG GLU 102 3.167 -2.774 -15.068 601 H GLN 103 H GLN 103 1.883 1.751 -14.468 602 HA GLN 103 HA GLN 103 1.717 3.384 -16.857 603 HB2 GLN 103 1HB GLN 103 -0.614 2.217 -15.722 604 HB3 GLN 103 2HB GLN 103 -0.654 3.935 -15.353 605 HG2 GLN 103 1HG GLN 103 -1.400 4.333 -17.392 606 HG3 GLN 103 2HG GLN 103 0.109 3.707 -18.052 607 HE21 GLN 103 2HE2 GLN 103 0.192 1.264 -18.187 608 HE22 GLN 103 1HE2 GLN 103 -1.244 0.482 -18.755 609 H ALA 104 H ALA 104 2.396 5.413 -16.441 610 HA ALA 104 HA ALA 104 3.058 6.087 -13.695 611 HB1 ALA 104 3HB ALA 104 4.042 6.826 -16.318 612 HB2 ALA 104 1HB ALA 104 4.845 6.886 -14.748 613 HB3 ALA 104 2HB ALA 104 3.824 8.228 -15.269 614 H GLY 105 H GLY 105 1.934 7.411 -12.442 615 HA2 GLY 105 1HA GLY 105 0.700 9.772 -13.055 616 HA3 GLY 105 2HA GLY 105 -0.526 8.557 -13.385 617 H GLU 106 H GLU 106 -1.790 9.548 -11.715 618 HA GLU 106 HA GLU 106 -0.810 9.123 -8.986 619 HB2 GLU 106 1HB GLU 106 -2.313 11.192 -10.199 620 HB3 GLU 106 2HB GLU 106 -3.380 10.388 -9.054 621 HG2 GLU 106 1HG GLU 106 -1.888 10.806 -7.249 622 HG3 GLU 106 2HG GLU 106 -0.629 11.372 -8.345 623 H PHE 107 H PHE 107 -1.511 7.517 -7.793 624 HA PHE 107 HA PHE 107 -4.001 6.123 -8.558 625 HB2 PHE 107 1HB PHE 107 -1.404 5.002 -7.491 626 HB3 PHE 107 2HB PHE 107 -2.897 4.073 -7.543 627 HD1 PHE 107 HD1 PHE 107 -0.265 5.652 -9.550 628 HD2 PHE 107 HD2 PHE 107 -3.740 3.209 -9.604 629 HE1 PHE 107 HE1 PHE 107 0.233 5.003 -11.871 630 HE2 PHE 107 HE2 PHE 107 -3.255 2.553 -11.924 631 HZ PHE 107 HZ PHE 107 -1.264 3.451 -13.061 632 H SER 108 H SER 108 -4.846 4.782 -6.554 633 HA SER 108 HA SER 108 -4.271 6.001 -3.999 634 HB2 SER 108 1HB SER 108 -6.463 6.940 -3.604 635 HB3 SER 108 2HB SER 108 -5.811 7.635 -5.088 636 HG SER 108 HG SER 108 -7.049 5.832 -6.143 637 H PHE 109 H PHE 109 -5.472 5.077 -2.227 638 HA PHE 109 HA PHE 109 -6.955 2.625 -2.772 639 HB2 PHE 109 1HB PHE 109 -5.620 1.392 -1.024 640 HB3 PHE 109 2HB PHE 109 -4.774 1.699 -2.533 641 HD1 PHE 109 HD2 PHE 109 -2.989 3.408 -2.621 642 HD2 PHE 109 HD1 PHE 109 -4.865 2.300 1.037 643 HE1 PHE 109 HE2 PHE 109 -1.123 4.403 -1.364 644 HE2 PHE 109 HE1 PHE 109 -3.000 3.291 2.298 645 HZ PHE 109 HZ PHE 109 -1.125 4.344 1.098 646 H ALA 110 H ALA 110 -8.493 2.127 -1.239 647 HA ALA 110 HA ALA 110 -8.546 3.483 1.316 648 HB1 ALA 110 3HB ALA 110 -10.154 5.028 0.961 649 HB2 ALA 110 1HB ALA 110 -11.009 4.026 -0.211 650 HB3 ALA 110 2HB ALA 110 -9.582 4.937 -0.704 651 H CYS 111 H CYS 111 -10.844 3.051 2.362 652 HA CYS 111 HA CYS 111 -12.210 0.690 1.494 653 HB2 CYS 111 1HB CYS 111 -10.044 -0.145 2.600 654 HB3 CYS 111 2HB CYS 111 -10.759 0.396 4.116 655 HG CYS 111 HG CYS 111 -10.971 -2.501 3.203 656 H GLY 112 H GLY 112 -14.210 0.523 2.400 657 HA2 GLY 112 1HA GLY 112 -15.924 0.880 3.940 658 HA3 GLY 112 2HA GLY 112 -14.824 1.848 4.905 659 H MET 113 H MET 113 -14.357 4.048 4.124 660 HA MET 113 HA MET 113 -16.685 5.174 2.702 661 HB2 MET 113 1HB MET 113 -15.020 6.463 4.874 662 HB3 MET 113 2HB MET 113 -16.369 7.219 4.038 663 HG2 MET 113 1HG MET 113 -17.657 6.467 5.675 664 HG3 MET 113 2HG MET 113 -17.431 4.855 4.998 665 HE1 MET 113 3HE MET 113 -18.273 4.545 7.631 666 HE2 MET 113 1HE MET 113 -17.022 3.816 8.640 667 HE3 MET 113 2HE MET 113 -17.344 3.172 7.029 668 H ASN 114 H ASN 114 -16.036 7.608 2.053 669 HA ASN 114 HA ASN 114 -13.878 7.296 0.142 670 HB2 ASN 114 1HB ASN 114 -16.291 8.559 0.006 671 HB3 ASN 114 2HB ASN 114 -15.215 9.916 0.324 672 HD21 ASN 114 2HD2 ASN 114 -12.986 9.343 -1.021 673 HD22 ASN 114 1HD2 ASN 114 -13.306 9.195 -2.714 674 H MET 115 H MET 115 -14.386 8.795 3.201 675 HA MET 115 HA MET 115 -12.131 10.608 2.940 676 HB2 MET 115 1HB MET 115 -14.428 10.426 4.625 677 HB3 MET 115 2HB MET 115 -12.997 10.387 5.645 678 HG2 MET 115 1HG MET 115 -12.260 12.424 4.194 679 HG3 MET 115 2HG MET 115 -13.982 12.544 3.841 680 HE1 MET 115 3HE MET 115 -13.547 15.403 6.420 681 HE2 MET 115 1HE MET 115 -14.558 14.900 5.064 682 HE3 MET 115 2HE MET 115 -12.804 14.949 4.885 683 H MET 116 H MET 116 -10.321 10.542 4.447 684 HA MET 116 HA MET 116 -8.526 9.529 5.402 685 HB2 MET 116 1HB MET 116 -10.303 8.954 7.113 686 HB3 MET 116 2HB MET 116 -10.440 7.384 6.335 687 HG2 MET 116 1HG MET 116 -7.816 7.387 6.742 688 HG3 MET 116 2HG MET 116 -8.286 8.479 8.043 689 HE1 MET 116 3HE MET 116 -8.077 4.419 7.318 690 HE2 MET 116 1HE MET 116 -9.083 5.353 6.210 691 HE3 MET 116 2HE MET 116 -9.831 4.256 7.372 692 H HIS 117 H HIS 117 -7.911 9.129 3.122 693 HA HIS 117 HA HIS 117 -7.613 6.246 2.671 694 HB2 HIS 117 1HB HIS 117 -8.177 6.379 0.380 695 HB3 HIS 117 2HB HIS 117 -9.437 7.260 1.226 696 HD1 HIS 117 HD1 HIS 117 -6.550 7.756 -1.127 697 HD2 HIS 117 HD2 HIS 117 -9.582 9.991 0.647 698 HE1 HIS 117 HE1 HIS 117 -6.566 9.959 -2.338 699 H GLY 118 H GLY 118 -5.936 5.802 0.925 700 HA2 GLY 118 1HA GLY 118 -3.630 7.569 1.434 701 HA3 GLY 118 2HA GLY 118 -3.532 5.857 1.047 702 H LYS 119 H LYS 119 -2.067 7.838 -0.297 703 HA LYS 119 HA LYS 119 -3.246 7.625 -2.989 704 HB2 LYS 119 1HB LYS 119 -3.160 9.976 -1.826 705 HB3 LYS 119 2HB LYS 119 -1.461 9.919 -2.276 706 HG2 LYS 119 1HG LYS 119 -1.927 10.477 -4.371 707 HG3 LYS 119 2HG LYS 119 -3.132 9.194 -4.508 708 HD2 LYS 119 1HD LYS 119 -4.395 11.107 -4.853 709 HD3 LYS 119 2HD LYS 119 -4.634 10.801 -3.132 710 HE2 LYS 119 1HE LYS 119 -3.694 12.743 -2.574 711 HE3 LYS 119 2HE LYS 119 -2.295 12.436 -3.602 712 HZ1 LYS 119 3HZ LYS 119 -3.478 13.291 -5.494 713 HZ2 LYS 119 1HZ LYS 119 -3.554 14.436 -4.241 714 HZ3 LYS 119 2HZ LYS 119 -4.900 13.471 -4.582 715 H MET 120 H MET 120 -1.790 7.318 -4.711 716 HA MET 120 HA MET 120 0.994 6.715 -3.953 717 HB2 MET 120 1HB MET 120 -0.240 4.603 -4.065 718 HB3 MET 120 2HB MET 120 -0.796 4.998 -5.681 719 HG2 MET 120 1HG MET 120 1.925 5.200 -5.922 720 HG3 MET 120 2HG MET 120 1.729 3.859 -4.796 721 HE1 MET 120 3HE MET 120 0.400 1.016 -6.760 722 HE2 MET 120 1HE MET 120 -0.554 1.960 -5.614 723 HE3 MET 120 2HE MET 120 1.156 1.655 -5.298 724 H ILE 121 H ILE 121 2.547 7.280 -5.442 725 HA ILE 121 HA ILE 121 1.568 8.407 -7.990 726 HB ILE 121 HB ILE 121 3.760 9.528 -6.233 727 HG12 ILE 121 1HG1 ILE 121 2.032 11.568 -6.836 728 HG13 ILE 121 2HG1 ILE 121 0.934 10.196 -6.722 729 HG21 ILE 121 1HG2 ILE 121 4.412 9.643 -8.583 730 HG22 ILE 121 2HG2 ILE 121 4.047 11.248 -7.950 731 HG23 ILE 121 3HG2 ILE 121 2.878 10.418 -8.978 732 HD11 ILE 121 3HD1 ILE 121 2.918 10.898 -4.580 733 HD12 ILE 121 1HD1 ILE 121 1.565 9.769 -4.483 734 HD13 ILE 121 2HD1 ILE 121 1.261 11.502 -4.616 735 H VAL 122 H VAL 122 2.320 7.347 -9.679 736 HA VAL 122 HA VAL 122 4.782 5.771 -9.399 737 HB VAL 122 HB VAL 122 2.605 5.628 -11.494 738 HG11 VAL 122 1HG1 VAL 122 4.905 5.017 -12.294 739 HG12 VAL 122 2HG1 VAL 122 3.708 3.726 -12.403 740 HG13 VAL 122 3HG1 VAL 122 4.900 3.719 -11.102 741 HG21 VAL 122 3HG2 VAL 122 1.873 3.644 -10.434 742 HG22 VAL 122 1HG2 VAL 122 2.075 4.835 -9.150 743 HG23 VAL 122 2HG2 VAL 122 3.296 3.586 -9.396 744 H GLU 123 H GLU 123 6.605 6.426 -10.303 745 HA GLU 123 HA GLU 123 8.117 7.705 -11.433 746 HB2 GLU 123 1HB GLU 123 6.725 6.268 -13.245 747 HB3 GLU 123 2HB GLU 123 6.416 7.890 -13.846 748 HG2 GLU 123 1HG GLU 123 8.443 8.033 -14.727 749 HG3 GLU 123 2HG GLU 123 9.206 7.543 -13.215 Start of MODEL 4 1 HA2 GLY 26 1HA GLY 26 10.578 12.546 1.306 2 HA3 GLY 26 2HA GLY 26 12.107 13.360 1.602 3 H ALA 27 H ALA 27 10.266 15.727 0.480 4 HA ALA 27 HA ALA 27 9.579 16.675 3.160 5 HB1 ALA 27 3HB ALA 27 10.899 18.136 1.692 6 HB2 ALA 27 1HB ALA 27 9.360 18.871 2.142 7 HB3 ALA 27 2HB ALA 27 9.566 18.166 0.539 8 H MET 28 H MET 28 8.059 15.626 0.218 9 HA MET 28 HA MET 28 5.435 16.011 1.483 10 HB2 MET 28 1HB MET 28 6.047 17.706 -0.393 11 HB3 MET 28 2HB MET 28 5.760 16.356 -1.481 12 HG2 MET 28 1HG MET 28 3.821 17.902 -1.136 13 HG3 MET 28 2HG MET 28 3.493 16.196 -0.839 14 HE1 MET 28 3HE MET 28 1.631 16.414 2.317 15 HE2 MET 28 1HE MET 28 2.475 15.291 1.250 16 HE3 MET 28 2HE MET 28 1.351 16.472 0.577 17 H GLY 29 H GLY 29 5.255 13.858 2.039 18 HA2 GLY 29 1HA GLY 29 4.048 11.888 1.253 19 HA3 GLY 29 2HA GLY 29 4.958 12.008 -0.244 20 H GLN 30 H GLN 30 5.384 9.716 0.199 21 HA GLN 30 HA GLN 30 7.849 9.471 1.774 22 HB2 GLN 30 1HB GLN 30 5.355 8.332 2.517 23 HB3 GLN 30 2HB GLN 30 6.398 7.017 1.994 24 HG2 GLN 30 1HG GLN 30 7.250 7.039 4.041 25 HG3 GLN 30 2HG GLN 30 8.042 8.549 3.599 26 HE21 GLN 30 2HE2 GLN 30 6.653 10.533 3.908 27 HE22 GLN 30 1HE2 GLN 30 5.696 10.585 5.349 28 H LYS 31 H LYS 31 9.422 8.574 0.640 29 HA LYS 31 HA LYS 31 8.826 7.332 -1.918 30 HB2 LYS 31 1HB LYS 31 11.085 8.724 -0.723 31 HB3 LYS 31 2HB LYS 31 11.581 7.248 -1.538 32 HG2 LYS 31 1HG LYS 31 11.113 8.062 -3.589 33 HG3 LYS 31 2HG LYS 31 9.713 8.974 -3.025 34 HD2 LYS 31 1HD LYS 31 12.364 9.894 -2.085 35 HD3 LYS 31 2HD LYS 31 12.007 10.131 -3.796 36 HE2 LYS 31 1HE LYS 31 9.985 11.345 -3.237 37 HE3 LYS 31 2HE LYS 31 10.247 11.040 -1.520 38 HZ1 LYS 31 3HZ LYS 31 11.356 13.076 -3.177 39 HZ2 LYS 31 1HZ LYS 31 12.566 12.208 -2.376 40 HZ3 LYS 31 2HZ LYS 31 11.337 12.981 -1.465 41 H ALA 32 H ALA 32 8.792 5.205 -2.249 42 HA ALA 32 HA ALA 32 9.207 3.377 -0.100 43 HB1 ALA 32 3HB ALA 32 8.684 2.912 -3.033 44 HB2 ALA 32 1HB ALA 32 7.497 2.923 -1.726 45 HB3 ALA 32 2HB ALA 32 8.710 1.642 -1.807 46 H GLN 33 H GLN 33 10.708 1.606 -0.041 47 HA GLN 33 HA GLN 33 13.342 2.414 -0.908 48 HB2 GLN 33 1HB GLN 33 14.197 0.768 0.532 49 HB3 GLN 33 2HB GLN 33 12.785 1.397 1.363 50 HG2 GLN 33 1HG GLN 33 11.627 -0.549 1.159 51 HG3 GLN 33 2HG GLN 33 12.421 -0.995 -0.350 52 HE21 GLN 33 2HE2 GLN 33 15.088 -0.751 0.488 53 HE22 GLN 33 1HE2 GLN 33 15.410 -2.001 1.633 54 H GLN 34 H GLN 34 14.641 1.430 -2.384 55 HA GLN 34 HA GLN 34 13.305 -0.383 -4.248 56 HB2 GLN 34 1HB GLN 34 15.951 1.049 -4.575 57 HB3 GLN 34 2HB GLN 34 15.051 0.205 -5.828 58 HG2 GLN 34 1HG GLN 34 13.172 1.910 -5.242 59 HG3 GLN 34 2HG GLN 34 14.498 2.840 -4.548 60 HE21 GLN 34 2HE2 GLN 34 16.244 3.448 -5.949 61 HE22 GLN 34 1HE2 GLN 34 15.963 3.649 -7.640 62 H LYS 35 H LYS 35 13.630 -2.488 -4.041 63 HA LYS 35 HA LYS 35 16.026 -3.452 -2.655 64 HB2 LYS 35 1HB LYS 35 13.577 -5.012 -3.489 65 HB3 LYS 35 2HB LYS 35 14.845 -5.549 -2.400 66 HG2 LYS 35 1HG LYS 35 13.574 -3.062 -1.556 67 HG3 LYS 35 2HG LYS 35 12.463 -4.429 -1.657 68 HD2 LYS 35 1HD LYS 35 14.897 -5.288 -0.421 69 HD3 LYS 35 2HD LYS 35 14.319 -3.833 0.390 70 HE2 LYS 35 1HE LYS 35 12.050 -5.419 -0.013 71 HE3 LYS 35 2HE LYS 35 13.310 -6.528 0.519 72 HZ1 LYS 35 3HZ LYS 35 11.822 -5.230 2.229 73 HZ2 LYS 35 1HZ LYS 35 12.973 -3.998 1.982 74 HZ3 LYS 35 2HZ LYS 35 13.464 -5.525 2.545 75 H ASN 36 H ASN 36 15.781 -6.124 -3.856 76 HA ASN 36 HA ASN 36 17.459 -5.636 -6.158 77 HB2 ASN 36 1HB ASN 36 17.274 -7.653 -4.218 78 HB3 ASN 36 2HB ASN 36 16.834 -8.425 -5.738 79 HD21 ASN 36 2HD2 ASN 36 19.144 -9.013 -4.257 80 HD22 ASN 36 1HD2 ASN 36 20.516 -8.564 -5.205 81 H GLY 37 H GLY 37 15.714 -4.672 -7.471 82 HA2 GLY 37 1HA GLY 37 14.729 -5.135 -9.586 83 HA3 GLY 37 2HA GLY 37 14.419 -6.776 -9.055 84 H TYR 38 H TYR 38 13.411 -5.135 -6.485 85 HA TYR 38 HA TYR 38 10.817 -4.325 -7.573 86 HB2 TYR 38 1HB TYR 38 9.594 -5.648 -5.898 87 HB3 TYR 38 2HB TYR 38 10.526 -6.679 -6.974 88 HD1 TYR 38 HD2 TYR 38 12.657 -7.712 -6.131 89 HD2 TYR 38 HD1 TYR 38 9.952 -5.673 -3.557 90 HE1 TYR 38 HE2 TYR 38 13.686 -8.813 -4.189 91 HE2 TYR 38 HE1 TYR 38 10.974 -6.769 -1.609 92 HH TYR 38 HH TYR 38 12.632 -8.069 -0.885 93 H GLN 39 H GLN 39 9.445 -3.229 -5.885 94 HA GLN 39 HA GLN 39 11.194 -1.751 -4.022 95 HB2 GLN 39 1HB GLN 39 8.623 -0.503 -4.684 96 HB3 GLN 39 2HB GLN 39 10.224 0.207 -4.576 97 HG2 GLN 39 1HG GLN 39 10.263 -1.416 -6.855 98 HG3 GLN 39 2HG GLN 39 8.726 -0.555 -6.893 99 HE21 GLN 39 2HE2 GLN 39 12.132 -0.319 -7.185 100 HE22 GLN 39 1HE2 GLN 39 12.206 1.357 -7.604 101 H GLU 40 H GLU 40 10.315 -1.087 -1.995 102 HA GLU 40 HA GLU 40 7.874 -2.456 -1.127 103 HB2 GLU 40 1HB GLU 40 9.888 -3.925 -0.701 104 HB3 GLU 40 2HB GLU 40 10.446 -2.705 0.433 105 HG2 GLU 40 1HG GLU 40 7.873 -3.158 1.258 106 HG3 GLU 40 2HG GLU 40 8.399 -4.757 0.732 107 H ILE 41 H ILE 41 6.775 -1.454 0.505 108 HA ILE 41 HA ILE 41 8.033 0.769 1.925 109 HB ILE 41 HB ILE 41 7.079 1.997 0.135 110 HG12 ILE 41 1HG1 ILE 41 4.749 2.662 1.583 111 HG13 ILE 41 2HG1 ILE 41 5.947 2.178 2.774 112 HG21 ILE 41 1HG2 ILE 41 4.441 0.613 0.550 113 HG22 ILE 41 2HG2 ILE 41 5.623 0.127 -0.667 114 HG23 ILE 41 3HG2 ILE 41 4.885 1.729 -0.741 115 HD11 ILE 41 3HD1 ILE 41 6.228 4.344 0.705 116 HD12 ILE 41 1HD1 ILE 41 7.522 3.808 1.778 117 HD13 ILE 41 2HD1 ILE 41 6.066 4.545 2.452 118 H ARG 42 H ARG 42 7.492 0.780 4.017 119 HA ARG 42 HA ARG 42 5.421 -1.044 4.924 120 HB2 ARG 42 1HB ARG 42 7.907 -0.398 5.922 121 HB3 ARG 42 2HB ARG 42 6.821 0.488 6.984 122 HG2 ARG 42 1HG ARG 42 5.587 -1.602 7.421 123 HG3 ARG 42 2HG ARG 42 6.754 -2.469 6.420 124 HD2 ARG 42 1HD ARG 42 8.396 -2.343 7.986 125 HD3 ARG 42 2HD ARG 42 7.841 -0.788 8.601 126 HE ARG 42 HE ARG 42 5.912 -2.273 9.520 127 HH11 ARG 42 1HH1 ARG 42 9.276 -3.105 9.361 128 HH12 ARG 42 2HH1 ARG 42 9.200 -4.165 10.723 129 HH21 ARG 42 1HH2 ARG 42 5.817 -3.656 11.296 130 HH22 ARG 42 2HH2 ARG 42 7.257 -4.477 11.813 131 H VAL 43 H VAL 43 3.431 -0.316 5.005 132 HA VAL 43 HA VAL 43 2.930 2.500 5.689 133 HB VAL 43 HB VAL 43 1.045 0.474 4.461 134 HG11 VAL 43 1HG1 VAL 43 0.341 3.196 3.972 135 HG12 VAL 43 2HG1 VAL 43 0.520 2.946 5.710 136 HG13 VAL 43 3HG1 VAL 43 -0.592 1.937 4.784 137 HG21 VAL 43 3HG2 VAL 43 2.412 2.792 3.112 138 HG22 VAL 43 1HG2 VAL 43 1.427 1.537 2.363 139 HG23 VAL 43 2HG2 VAL 43 3.005 1.132 3.044 140 H GLU 44 H GLU 44 2.697 2.756 7.812 141 HA GLU 44 HA GLU 44 1.669 0.701 9.527 142 HB2 GLU 44 1HB GLU 44 3.402 2.537 10.085 143 HB3 GLU 44 2HB GLU 44 2.007 3.578 10.330 144 HG2 GLU 44 1HG GLU 44 2.023 2.853 12.427 145 HG3 GLU 44 2HG GLU 44 1.364 1.347 11.793 146 H VAL 45 H VAL 45 -0.379 0.240 9.817 147 HA VAL 45 HA VAL 45 -2.435 2.190 9.101 148 HB VAL 45 HB VAL 45 -2.512 -0.798 9.505 149 HG11 VAL 45 1HG1 VAL 45 -4.575 0.153 10.421 150 HG12 VAL 45 2HG1 VAL 45 -4.874 -0.759 8.939 151 HG13 VAL 45 3HG1 VAL 45 -4.849 1.004 8.901 152 HG21 VAL 45 3HG2 VAL 45 -2.596 -0.983 7.250 153 HG22 VAL 45 1HG2 VAL 45 -1.759 0.567 7.332 154 HG23 VAL 45 2HG2 VAL 45 -3.499 0.519 7.053 155 H MET 46 H MET 46 -2.701 3.511 10.809 156 HA MET 46 HA MET 46 -3.912 2.349 13.194 157 HB2 MET 46 1HB MET 46 -2.548 4.067 14.576 158 HB3 MET 46 2HB MET 46 -1.775 2.563 14.099 159 HG2 MET 46 1HG MET 46 -0.902 3.891 12.082 160 HG3 MET 46 2HG MET 46 -1.359 5.316 13.012 161 HE1 MET 46 3HE MET 46 -0.679 5.165 15.815 162 HE2 MET 46 1HE MET 46 0.098 6.382 14.801 163 HE3 MET 46 2HE MET 46 1.062 5.432 15.933 164 H GLY 47 H GLY 47 -5.879 3.183 12.528 165 HA2 GLY 47 1HA GLY 47 -7.540 4.808 12.703 166 HA3 GLY 47 2HA GLY 47 -6.300 5.990 13.096 167 H GLY 48 H GLY 48 -5.270 4.382 10.440 168 HA2 GLY 48 1HA GLY 48 -6.627 5.096 8.218 169 HA3 GLY 48 2HA GLY 48 -5.838 6.598 8.681 170 H TYR 49 H TYR 49 -4.177 6.875 7.314 171 HA TYR 49 HA TYR 49 -2.300 4.626 6.977 172 HB2 TYR 49 1HB TYR 49 -3.053 6.690 4.895 173 HB3 TYR 49 2HB TYR 49 -1.832 5.442 4.694 174 HD1 TYR 49 HD2 TYR 49 -2.660 2.982 4.979 175 HD2 TYR 49 HD1 TYR 49 -5.227 6.286 4.208 176 HE1 TYR 49 HE2 TYR 49 -4.378 1.444 4.126 177 HE2 TYR 49 HE1 TYR 49 -6.952 4.757 3.354 178 HH TYR 49 HH TYR 49 -7.237 1.793 3.941 179 H THR 50 H THR 50 -0.178 5.070 7.362 180 HA THR 50 HA THR 50 0.470 7.610 8.509 181 HB THR 50 HB THR 50 2.192 5.201 7.929 182 HG1 THR 50 HG1 THR 50 0.780 4.920 9.655 183 HG21 THR 50 3HG2 THR 50 3.419 7.451 7.849 184 HG22 THR 50 1HG2 THR 50 4.034 6.236 8.971 185 HG23 THR 50 2HG2 THR 50 3.051 7.571 9.571 186 HA PRO 51 HA PRO 51 3.143 8.449 4.652 187 HB2 PRO 51 1HB PRO 51 3.281 6.677 2.621 188 HB3 PRO 51 2HB PRO 51 4.360 6.592 4.017 189 HG2 PRO 51 1HG PRO 51 1.888 5.012 3.439 190 HG3 PRO 51 2HG PRO 51 3.439 4.462 4.097 191 HD2 PRO 51 1HD PRO 51 1.259 4.947 5.650 192 HD3 PRO 51 2HD PRO 51 2.928 5.149 6.218 193 H GLU 52 H GLU 52 1.567 9.952 4.210 194 HA GLU 52 HA GLU 52 -0.943 9.578 3.139 195 HB2 GLU 52 1HB GLU 52 -0.708 11.956 2.270 196 HB3 GLU 52 2HB GLU 52 -0.452 11.715 3.992 197 HG2 GLU 52 1HG GLU 52 2.045 11.459 2.641 198 HG3 GLU 52 2HG GLU 52 1.257 12.946 2.121 199 H LEU 53 H LEU 53 2.072 10.105 1.322 200 HA LEU 53 HA LEU 53 0.716 9.016 -1.042 201 HB2 LEU 53 1HB LEU 53 2.756 10.881 -1.830 202 HB3 LEU 53 2HB LEU 53 1.073 10.820 -2.288 203 HG LEU 53 HG LEU 53 1.753 12.003 0.354 204 HD11 LEU 53 1HD1 LEU 53 2.621 13.040 -2.259 205 HD12 LEU 53 2HD1 LEU 53 3.231 13.379 -0.640 206 HD13 LEU 53 3HD1 LEU 53 1.780 14.193 -1.224 207 HD21 LEU 53 3HD2 LEU 53 -0.589 11.627 -0.772 208 HD22 LEU 53 1HD2 LEU 53 -0.171 13.101 -1.645 209 HD23 LEU 53 2HD2 LEU 53 -0.250 13.111 0.118 210 H ILE 54 H ILE 54 1.720 7.230 -1.703 211 HA ILE 54 HA ILE 54 4.530 6.838 -0.955 212 HB ILE 54 HB ILE 54 4.105 4.469 -1.850 213 HG12 ILE 54 1HG1 ILE 54 1.228 5.345 -1.496 214 HG13 ILE 54 2HG1 ILE 54 2.002 5.009 -3.042 215 HG21 ILE 54 1HG2 ILE 54 3.726 5.664 0.643 216 HG22 ILE 54 2HG2 ILE 54 4.011 3.958 0.300 217 HG23 ILE 54 3HG2 ILE 54 2.361 4.566 0.434 218 HD11 ILE 54 3HD1 ILE 54 1.247 2.937 -2.805 219 HD12 ILE 54 1HD1 ILE 54 0.833 3.201 -1.110 220 HD13 ILE 54 2HD1 ILE 54 2.475 2.731 -1.554 221 H VAL 55 H VAL 55 6.130 7.015 -2.371 222 HA VAL 55 HA VAL 55 5.449 7.371 -5.202 223 HB VAL 55 HB VAL 55 8.010 7.985 -3.719 224 HG11 VAL 55 1HG1 VAL 55 7.588 7.621 -6.492 225 HG12 VAL 55 2HG1 VAL 55 9.038 8.199 -5.670 226 HG13 VAL 55 3HG1 VAL 55 7.812 9.347 -6.210 227 HG21 VAL 55 3HG2 VAL 55 7.352 10.346 -4.150 228 HG22 VAL 55 1HG2 VAL 55 6.264 9.490 -3.057 229 HG23 VAL 55 2HG2 VAL 55 5.796 9.757 -4.736 230 H LEU 56 H LEU 56 5.871 5.892 -6.687 231 HA LEU 56 HA LEU 56 7.949 3.868 -6.193 232 HB2 LEU 56 1HB LEU 56 5.151 3.295 -7.176 233 HB3 LEU 56 2HB LEU 56 6.453 2.124 -7.107 234 HG LEU 56 HG LEU 56 5.694 3.507 -4.580 235 HD11 LEU 56 1HD1 LEU 56 3.555 2.852 -5.669 236 HD12 LEU 56 2HD1 LEU 56 3.876 2.012 -4.152 237 HD13 LEU 56 3HD1 LEU 56 4.129 1.185 -5.689 238 HD21 LEU 56 3HD2 LEU 56 6.337 0.617 -5.085 239 HD22 LEU 56 1HD2 LEU 56 6.440 1.518 -3.573 240 HD23 LEU 56 2HD2 LEU 56 7.588 1.843 -4.874 241 H LYS 57 H LYS 57 8.550 2.665 -8.209 242 HA LYS 57 HA LYS 57 8.670 4.527 -10.448 243 HB2 LYS 57 1HB LYS 57 10.217 2.172 -9.553 244 HB3 LYS 57 2HB LYS 57 10.087 2.379 -11.294 245 HG2 LYS 57 1HG LYS 57 10.932 4.650 -9.538 246 HG3 LYS 57 2HG LYS 57 12.087 3.426 -10.067 247 HD2 LYS 57 1HD LYS 57 10.339 4.676 -12.123 248 HD3 LYS 57 2HD LYS 57 11.653 5.646 -11.455 249 HE2 LYS 57 1HE LYS 57 12.097 2.868 -12.510 250 HE3 LYS 57 2HE LYS 57 12.143 4.281 -13.560 251 HZ1 LYS 57 3HZ LYS 57 13.904 5.200 -12.171 252 HZ2 LYS 57 1HZ LYS 57 14.350 3.693 -12.799 253 HZ3 LYS 57 2HZ LYS 57 13.868 3.826 -11.184 254 H LYS 58 H LYS 58 8.543 3.461 -12.716 255 HA LYS 58 HA LYS 58 5.997 2.005 -12.813 256 HB2 LYS 58 1HB LYS 58 6.234 4.195 -14.013 257 HB3 LYS 58 2HB LYS 58 7.411 3.427 -15.072 258 HG2 LYS 58 1HG LYS 58 5.668 1.791 -15.737 259 HG3 LYS 58 2HG LYS 58 4.505 2.703 -14.776 260 HD2 LYS 58 1HD LYS 58 4.124 3.750 -16.743 261 HD3 LYS 58 2HD LYS 58 5.542 4.689 -16.276 262 HE2 LYS 58 1HE LYS 58 6.843 2.772 -17.485 263 HE3 LYS 58 2HE LYS 58 5.292 2.485 -18.275 264 HZ1 LYS 58 3HZ LYS 58 7.144 4.707 -18.574 265 HZ2 LYS 58 1HZ LYS 58 5.499 5.105 -18.591 266 HZ3 LYS 58 2HZ LYS 58 6.113 3.995 -19.710 267 H SER 59 H SER 59 5.675 0.195 -14.076 268 HA SER 59 HA SER 59 6.115 -1.794 -15.068 269 HB2 SER 59 1HB SER 59 7.149 -0.455 -16.855 270 HB3 SER 59 2HB SER 59 8.686 -0.486 -15.991 271 HG SER 59 HG SER 59 8.456 -2.864 -16.137 272 H VAL 60 H VAL 60 7.213 -1.035 -12.339 273 HA VAL 60 HA VAL 60 9.071 -3.311 -12.098 274 HB VAL 60 HB VAL 60 10.122 -1.026 -11.757 275 HG11 VAL 60 1HG1 VAL 60 8.497 0.203 -10.602 276 HG12 VAL 60 2HG1 VAL 60 9.764 -0.105 -9.414 277 HG13 VAL 60 3HG1 VAL 60 8.281 -1.061 -9.390 278 HG21 VAL 60 3HG2 VAL 60 10.214 -3.022 -9.504 279 HG22 VAL 60 1HG2 VAL 60 11.371 -1.710 -9.726 280 HG23 VAL 60 2HG2 VAL 60 11.239 -2.983 -10.938 281 HA PRO 61 HA PRO 61 5.990 -4.976 -9.341 282 HB2 PRO 61 1HB PRO 61 7.625 -6.720 -7.977 283 HB3 PRO 61 2HB PRO 61 6.916 -7.055 -9.560 284 HG2 PRO 61 1HG PRO 61 9.667 -6.108 -8.875 285 HG3 PRO 61 2HG PRO 61 9.157 -7.286 -10.099 286 HD2 PRO 61 1HD PRO 61 9.828 -4.752 -10.735 287 HD3 PRO 61 2HD PRO 61 8.567 -5.644 -11.613 288 H ALA 62 H ALA 62 5.237 -3.930 -7.604 289 HA ALA 62 HA ALA 62 7.168 -3.144 -5.514 290 HB1 ALA 62 3HB ALA 62 5.351 -1.268 -5.141 291 HB2 ALA 62 1HB ALA 62 5.034 -1.570 -6.850 292 HB3 ALA 62 2HB ALA 62 6.645 -1.082 -6.326 293 H ARG 63 H ARG 63 6.652 -3.601 -3.429 294 HA ARG 63 HA ARG 63 4.002 -4.794 -2.977 295 HB2 ARG 63 1HB ARG 63 4.933 -6.390 -1.480 296 HB3 ARG 63 2HB ARG 63 5.896 -6.425 -2.946 297 HG2 ARG 63 1HG ARG 63 7.397 -4.744 -1.582 298 HG3 ARG 63 2HG ARG 63 6.614 -5.536 -0.217 299 HD2 ARG 63 1HD ARG 63 7.315 -7.632 -1.878 300 HD3 ARG 63 2HD ARG 63 8.680 -6.524 -2.004 301 HE ARG 63 HE ARG 63 8.902 -6.671 0.412 302 HH11 ARG 63 1HH1 ARG 63 6.938 -9.102 -1.119 303 HH12 ARG 63 2HH1 ARG 63 7.128 -10.228 0.179 304 HH21 ARG 63 1HH2 ARG 63 9.132 -8.156 2.088 305 HH22 ARG 63 2HH2 ARG 63 8.358 -9.698 1.979 306 H ILE 64 H ILE 64 2.762 -3.883 -1.557 307 HA ILE 64 HA ILE 64 3.865 -1.810 0.204 308 HB ILE 64 HB ILE 64 0.930 -2.342 -0.110 309 HG12 ILE 64 1HG1 ILE 64 2.036 -2.204 -2.397 310 HG13 ILE 64 2HG1 ILE 64 0.771 -1.022 -2.083 311 HG21 ILE 64 1HG2 ILE 64 0.637 -0.183 0.638 312 HG22 ILE 64 2HG2 ILE 64 2.234 0.334 0.097 313 HG23 ILE 64 3HG2 ILE 64 2.075 -0.683 1.530 314 HD11 ILE 64 3HD1 ILE 64 2.164 0.648 -2.490 315 HD12 ILE 64 1HD1 ILE 64 3.366 -0.543 -2.984 316 HD13 ILE 64 2HD1 ILE 64 3.330 0.035 -1.317 317 H VAL 65 H VAL 65 4.343 -2.392 2.228 318 HA VAL 65 HA VAL 65 3.075 -4.750 3.402 319 HB VAL 65 HB VAL 65 5.192 -3.074 4.733 320 HG11 VAL 65 1HG1 VAL 65 4.218 -4.692 6.180 321 HG12 VAL 65 2HG1 VAL 65 5.792 -5.317 5.693 322 HG13 VAL 65 3HG1 VAL 65 4.325 -5.951 4.949 323 HG21 VAL 65 3HG2 VAL 65 6.152 -5.434 3.303 324 HG22 VAL 65 1HG2 VAL 65 6.841 -3.813 3.413 325 HG23 VAL 65 2HG2 VAL 65 5.565 -4.153 2.243 326 H PHE 66 H PHE 66 1.153 -4.382 4.349 327 HA PHE 66 HA PHE 66 0.710 -1.857 5.758 328 HB2 PHE 66 1HB PHE 66 -1.154 -4.092 4.958 329 HB3 PHE 66 2HB PHE 66 -1.660 -2.725 5.948 330 HD1 PHE 66 HD2 PHE 66 -1.235 -0.374 4.954 331 HD2 PHE 66 HD1 PHE 66 -1.276 -3.955 2.655 332 HE1 PHE 66 HE2 PHE 66 -1.652 0.942 2.919 333 HE2 PHE 66 HE1 PHE 66 -1.691 -2.644 0.615 334 HZ PHE 66 HZ PHE 66 -1.880 -0.191 0.747 335 H ASP 67 H ASP 67 1.091 -1.699 7.837 336 HA ASP 67 HA ASP 67 1.118 -4.127 9.499 337 HB2 ASP 67 1HB ASP 67 3.078 -2.383 9.309 338 HB3 ASP 67 2HB ASP 67 2.102 -1.453 10.439 339 H ARG 68 H ARG 68 -0.848 -4.495 10.381 340 HA ARG 68 HA ARG 68 -2.668 -2.359 10.989 341 HB2 ARG 68 1HB ARG 68 -3.375 -4.646 10.237 342 HB3 ARG 68 2HB ARG 68 -2.895 -5.255 11.815 343 HG2 ARG 68 1HG ARG 68 -4.972 -4.832 12.480 344 HG3 ARG 68 2HG ARG 68 -4.554 -3.121 12.405 345 HD2 ARG 68 1HD ARG 68 -5.346 -3.001 10.117 346 HD3 ARG 68 2HD ARG 68 -5.689 -4.730 10.122 347 HE ARG 68 HE ARG 68 -7.218 -2.636 11.453 348 HH11 ARG 68 1HH1 ARG 68 -6.779 -6.028 10.823 349 HH12 ARG 68 2HH1 ARG 68 -8.366 -6.447 11.368 350 HH21 ARG 68 1HH2 ARG 68 -9.303 -3.208 12.121 351 HH22 ARG 68 2HH2 ARG 68 -9.780 -4.878 12.083 352 H LYS 69 H LYS 69 -1.888 -1.035 12.536 353 HA LYS 69 HA LYS 69 -0.940 -2.129 15.070 354 HB2 LYS 69 1HB LYS 69 0.386 -0.340 14.207 355 HB3 LYS 69 2HB LYS 69 -1.029 0.656 13.908 356 HG2 LYS 69 1HG LYS 69 0.072 1.549 15.804 357 HG3 LYS 69 2HG LYS 69 -1.383 0.738 16.387 358 HD2 LYS 69 1HD LYS 69 -0.215 -0.854 17.491 359 HD3 LYS 69 2HD LYS 69 1.060 -0.914 16.271 360 HE2 LYS 69 1HE LYS 69 2.168 0.941 17.176 361 HE3 LYS 69 2HE LYS 69 0.755 1.443 18.102 362 HZ1 LYS 69 3HZ LYS 69 1.869 -1.180 18.714 363 HZ2 LYS 69 1HZ LYS 69 1.196 -0.021 19.748 364 HZ3 LYS 69 2HZ LYS 69 2.782 0.162 19.189 365 H ASP 70 H ASP 70 -3.636 -0.310 13.736 366 HA ASP 70 HA ASP 70 -4.931 -0.324 16.379 367 HB2 ASP 70 1HB ASP 70 -4.595 1.823 14.875 368 HB3 ASP 70 2HB ASP 70 -6.040 1.220 14.070 369 HA PRO 71 HA PRO 71 -7.613 -3.490 14.731 370 HB2 PRO 71 1HB PRO 71 -9.160 -3.844 16.879 371 HB3 PRO 71 2HB PRO 71 -7.450 -4.303 16.900 372 HG2 PRO 71 1HG PRO 71 -8.761 -1.834 17.986 373 HG3 PRO 71 2HG PRO 71 -7.538 -2.872 18.745 374 HD2 PRO 71 1HD PRO 71 -6.955 -0.521 17.465 375 HD3 PRO 71 2HD PRO 71 -5.813 -1.873 17.610 376 H SER 72 H SER 72 -8.218 -0.739 13.988 377 HA SER 72 HA SER 72 -10.932 -0.117 14.545 378 HB2 SER 72 1HB SER 72 -9.854 0.883 11.993 379 HB3 SER 72 2HB SER 72 -10.527 1.773 13.355 380 HG SER 72 HG SER 72 -8.540 1.591 14.411 381 HA PRO 73 HA PRO 73 -12.926 -3.083 11.889 382 HB2 PRO 73 1HB PRO 73 -15.347 -1.834 11.685 383 HB3 PRO 73 2HB PRO 73 -14.844 -2.771 13.097 384 HG2 PRO 73 1HG PRO 73 -14.778 0.194 12.670 385 HG3 PRO 73 2HG PRO 73 -15.299 -0.717 14.102 386 HD2 PRO 73 1HD PRO 73 -12.880 0.440 13.976 387 HD3 PRO 73 2HD PRO 73 -13.119 -1.121 14.791 388 H CYS 74 H CYS 74 -12.927 0.358 11.127 389 HA CYS 74 HA CYS 74 -13.725 -0.018 8.392 390 HB2 CYS 74 1HB CYS 74 -12.760 2.473 8.358 391 HB3 CYS 74 2HB CYS 74 -14.344 2.088 9.022 392 HG CYS 74 HG CYS 74 -12.196 1.713 11.435 393 H LEU 75 H LEU 75 -10.897 -0.689 9.957 394 HA LEU 75 HA LEU 75 -9.270 -0.173 7.552 395 HB2 LEU 75 1HB LEU 75 -8.648 -0.043 10.468 396 HB3 LEU 75 2HB LEU 75 -7.373 -0.506 9.364 397 HG LEU 75 HG LEU 75 -8.946 2.055 9.104 398 HD11 LEU 75 1HD1 LEU 75 -7.670 1.919 11.234 399 HD12 LEU 75 2HD1 LEU 75 -7.111 3.187 10.143 400 HD13 LEU 75 3HD1 LEU 75 -6.201 1.683 10.285 401 HD21 LEU 75 3HD2 LEU 75 -6.652 2.545 7.872 402 HD22 LEU 75 1HD2 LEU 75 -8.015 1.794 7.042 403 HD23 LEU 75 2HD2 LEU 75 -6.690 0.797 7.641 404 H ASP 76 H ASP 76 -10.966 -2.552 8.780 405 HA ASP 76 HA ASP 76 -9.135 -4.677 9.180 406 HB2 ASP 76 1HB ASP 76 -11.750 -4.378 9.683 407 HB3 ASP 76 2HB ASP 76 -11.865 -5.287 8.181 408 H GLN 77 H GLN 77 -10.952 -3.614 6.316 409 HA GLN 77 HA GLN 77 -9.359 -5.513 4.720 410 HB2 GLN 77 1HB GLN 77 -12.217 -4.756 4.624 411 HB3 GLN 77 2HB GLN 77 -11.416 -4.926 3.068 412 HG2 GLN 77 1HG GLN 77 -10.616 -7.195 3.935 413 HG3 GLN 77 2HG GLN 77 -11.830 -6.994 5.198 414 HE21 GLN 77 2HE2 GLN 77 -11.691 -8.999 3.113 415 HE22 GLN 77 1HE2 GLN 77 -13.151 -8.843 2.195 416 H ILE 78 H ILE 78 -8.246 -4.789 2.980 417 HA ILE 78 HA ILE 78 -8.434 -1.905 2.381 418 HB ILE 78 HB ILE 78 -6.310 -2.350 3.456 419 HG12 ILE 78 1HG1 ILE 78 -5.111 -2.135 0.848 420 HG13 ILE 78 2HG1 ILE 78 -6.616 -1.223 0.890 421 HG21 ILE 78 1HG2 ILE 78 -6.073 -4.542 1.427 422 HG22 ILE 78 2HG2 ILE 78 -5.892 -4.625 3.179 423 HG23 ILE 78 3HG2 ILE 78 -4.649 -3.847 2.201 424 HD11 ILE 78 3HD1 ILE 78 -4.530 -0.924 3.016 425 HD12 ILE 78 1HD1 ILE 78 -5.857 0.164 2.607 426 HD13 ILE 78 2HD1 ILE 78 -4.483 -0.002 1.513 427 H VAL 79 H VAL 79 -8.802 -1.335 0.311 428 HA VAL 79 HA VAL 79 -8.328 -3.326 -1.784 429 HB VAL 79 HB VAL 79 -10.568 -3.765 -1.604 430 HG11 VAL 79 1HG1 VAL 79 -10.807 -1.896 0.149 431 HG12 VAL 79 2HG1 VAL 79 -12.232 -2.429 -0.745 432 HG13 VAL 79 3HG1 VAL 79 -11.413 -0.932 -1.200 433 HG21 VAL 79 3HG2 VAL 79 -10.260 -3.116 -3.878 434 HG22 VAL 79 1HG2 VAL 79 -10.426 -1.406 -3.474 435 HG23 VAL 79 2HG2 VAL 79 -11.819 -2.481 -3.352 436 H PHE 80 H PHE 80 -7.395 -2.567 -3.498 437 HA PHE 80 HA PHE 80 -6.930 0.296 -3.771 438 HB2 PHE 80 1HB PHE 80 -5.759 -2.199 -4.959 439 HB3 PHE 80 2HB PHE 80 -5.527 -0.671 -5.789 440 HD1 PHE 80 HD1 PHE 80 -5.144 -2.189 -2.406 441 HD2 PHE 80 HD2 PHE 80 -3.685 0.603 -5.267 442 HE1 PHE 80 HE1 PHE 80 -3.225 -1.708 -0.945 443 HE2 PHE 80 HE2 PHE 80 -1.757 1.095 -3.810 444 HZ PHE 80 HZ PHE 80 -1.527 -0.064 -1.648 445 HA PRO 81 HA PRO 81 -10.545 0.128 -6.557 446 HB2 PRO 81 1HB PRO 81 -10.755 2.836 -6.849 447 HB3 PRO 81 2HB PRO 81 -11.442 1.933 -5.494 448 HG2 PRO 81 1HG PRO 81 -8.896 3.494 -5.639 449 HG3 PRO 81 2HG PRO 81 -10.088 3.414 -4.329 450 HD2 PRO 81 1HD PRO 81 -7.763 2.048 -4.259 451 HD3 PRO 81 2HD PRO 81 -9.251 1.423 -3.523 452 H ASP 82 H ASP 82 -7.391 1.383 -7.102 453 HA ASP 82 HA ASP 82 -7.978 1.868 -9.932 454 HB2 ASP 82 1HB ASP 82 -5.584 2.582 -8.232 455 HB3 ASP 82 2HB ASP 82 -5.664 2.843 -9.973 456 H PHE 83 H PHE 83 -6.754 -0.578 -7.933 457 HA PHE 83 HA PHE 83 -5.357 -1.807 -10.224 458 HB2 PHE 83 1HB PHE 83 -4.754 -1.920 -7.279 459 HB3 PHE 83 2HB PHE 83 -4.167 -3.169 -8.376 460 HD1 PHE 83 HD1 PHE 83 -3.895 0.344 -7.388 461 HD2 PHE 83 HD2 PHE 83 -2.448 -2.691 -9.999 462 HE1 PHE 83 HE1 PHE 83 -1.973 1.761 -7.964 463 HE2 PHE 83 HE2 PHE 83 -0.521 -1.276 -10.579 464 HZ PHE 83 HZ PHE 83 -0.284 0.955 -9.559 465 H GLY 84 H GLY 84 -7.820 -2.187 -7.807 466 HA2 GLY 84 1HA GLY 84 -9.601 -3.716 -7.916 467 HA3 GLY 84 2HA GLY 84 -8.691 -4.666 -9.081 468 H VAL 85 H VAL 85 -6.632 -3.931 -6.641 469 HA VAL 85 HA VAL 85 -6.676 -6.619 -5.607 470 HB VAL 85 HB VAL 85 -4.901 -4.239 -5.068 471 HG11 VAL 85 1HG1 VAL 85 -5.272 -6.556 -3.440 472 HG12 VAL 85 2HG1 VAL 85 -4.178 -5.192 -3.209 473 HG13 VAL 85 3HG1 VAL 85 -3.659 -6.590 -4.152 474 HG21 VAL 85 3HG2 VAL 85 -3.217 -5.769 -6.174 475 HG22 VAL 85 1HG2 VAL 85 -4.484 -5.122 -7.214 476 HG23 VAL 85 2HG2 VAL 85 -4.584 -6.785 -6.635 477 H HIS 86 H HIS 86 -7.916 -7.220 -3.954 478 HA HIS 86 HA HIS 86 -8.329 -5.329 -1.749 479 HB2 HIS 86 1HB HIS 86 -10.681 -6.217 -1.522 480 HB3 HIS 86 2HB HIS 86 -10.390 -5.201 -2.926 481 HD1 HIS 86 HD1 HIS 86 -9.817 -6.779 -5.213 482 HD2 HIS 86 HD2 HIS 86 -12.089 -8.399 -2.128 483 HE1 HIS 86 HE1 HIS 86 -11.053 -8.716 -6.231 484 H ALA 87 H ALA 87 -7.722 -6.131 0.136 485 HA ALA 87 HA ALA 87 -7.977 -9.005 0.659 486 HB1 ALA 87 3HB ALA 87 -5.798 -9.477 0.690 487 HB2 ALA 87 1HB ALA 87 -5.416 -8.021 1.610 488 HB3 ALA 87 2HB ALA 87 -5.558 -7.944 -0.147 489 H ASN 88 H ASN 88 -7.192 -9.460 3.008 490 HA ASN 88 HA ASN 88 -8.337 -7.364 4.730 491 HB2 ASN 88 1HB ASN 88 -8.039 -10.009 5.948 492 HB3 ASN 88 2HB ASN 88 -9.442 -8.949 5.894 493 HD21 ASN 88 2HD2 ASN 88 -7.952 -11.722 4.628 494 HD22 ASN 88 1HD2 ASN 88 -9.143 -12.103 3.436 495 H LEU 89 H LEU 89 -7.259 -6.675 6.560 496 HA LEU 89 HA LEU 89 -4.426 -7.443 6.679 497 HB2 LEU 89 1HB LEU 89 -5.748 -5.085 8.008 498 HB3 LEU 89 2HB LEU 89 -4.028 -5.373 7.826 499 HG LEU 89 HG LEU 89 -5.914 -4.885 5.522 500 HD11 LEU 89 1HD1 LEU 89 -5.887 -2.840 6.622 501 HD12 LEU 89 2HD1 LEU 89 -4.573 -2.686 5.456 502 HD13 LEU 89 3HD1 LEU 89 -4.215 -3.032 7.147 503 HD21 LEU 89 3HD2 LEU 89 -2.968 -5.327 5.771 504 HD22 LEU 89 1HD2 LEU 89 -3.616 -4.349 4.453 505 HD23 LEU 89 2HD2 LEU 89 -4.114 -6.032 4.631 506 HA PRO 90 HA PRO 90 -5.383 -9.596 10.465 507 HB2 PRO 90 1HB PRO 90 -2.916 -10.599 10.902 508 HB3 PRO 90 2HB PRO 90 -3.992 -11.234 9.654 509 HG2 PRO 90 1HG PRO 90 -1.636 -9.429 9.387 510 HG3 PRO 90 2HG PRO 90 -2.196 -10.714 8.305 511 HD2 PRO 90 1HD PRO 90 -2.625 -8.000 7.934 512 HD3 PRO 90 2HD PRO 90 -3.559 -9.297 7.167 513 H MET 91 H MET 91 -5.531 -8.786 12.458 514 HA MET 91 HA MET 91 -4.167 -6.447 13.261 515 HB2 MET 91 1HB MET 91 -6.391 -6.963 14.085 516 HB3 MET 91 2HB MET 91 -5.792 -8.417 14.874 517 HG2 MET 91 1HG MET 91 -6.151 -6.604 16.459 518 HG3 MET 91 2HG MET 91 -4.459 -7.085 16.386 519 HE1 MET 91 3HE MET 91 -3.548 -3.475 16.948 520 HE2 MET 91 1HE MET 91 -2.992 -5.146 17.039 521 HE3 MET 91 2HE MET 91 -4.481 -4.667 17.853 522 H GLY 92 H GLY 92 -2.253 -6.168 14.160 523 HA2 GLY 92 1HA GLY 92 -0.436 -6.569 15.562 524 HA3 GLY 92 2HA GLY 92 -1.107 -8.147 15.940 525 H GLU 93 H GLU 93 -1.054 -7.717 12.617 526 HA GLU 93 HA GLU 93 1.640 -8.860 12.352 527 HB2 GLU 93 1HB GLU 93 -0.873 -9.961 11.084 528 HB3 GLU 93 2HB GLU 93 0.757 -10.489 10.694 529 HG2 GLU 93 1HG GLU 93 -0.220 -10.596 13.512 530 HG3 GLU 93 2HG GLU 93 -0.686 -11.848 12.362 531 H GLU 94 H GLU 94 2.112 -9.091 9.844 532 HA GLU 94 HA GLU 94 1.362 -6.515 8.621 533 HB2 GLU 94 1HB GLU 94 3.920 -8.098 8.351 534 HB3 GLU 94 2HB GLU 94 3.542 -6.667 7.409 535 HG2 GLU 94 1HG GLU 94 4.042 -5.272 9.087 536 HG3 GLU 94 2HG GLU 94 3.312 -6.313 10.308 537 H TYR 95 H TYR 95 0.456 -6.504 6.663 538 HA TYR 95 HA TYR 95 0.437 -9.026 5.125 539 HB2 TYR 95 1HB TYR 95 -1.782 -8.090 6.163 540 HB3 TYR 95 2HB TYR 95 -1.726 -6.964 4.813 541 HD1 TYR 95 HD1 TYR 95 -2.040 -10.508 5.758 542 HD2 TYR 95 HD2 TYR 95 -2.185 -7.691 2.573 543 HE1 TYR 95 HE1 TYR 95 -3.059 -12.211 4.306 544 HE2 TYR 95 HE2 TYR 95 -3.204 -9.386 1.112 545 HH TYR 95 HH TYR 95 -3.248 -11.934 1.000 546 H VAL 96 H VAL 96 1.461 -8.914 3.227 547 HA VAL 96 HA VAL 96 2.092 -6.260 2.177 548 HB VAL 96 HB VAL 96 3.863 -8.095 2.657 549 HG11 VAL 96 1HG1 VAL 96 3.796 -8.952 -0.109 550 HG12 VAL 96 2HG1 VAL 96 2.388 -9.509 0.793 551 HG13 VAL 96 3HG1 VAL 96 4.010 -9.899 1.362 552 HG21 VAL 96 3HG2 VAL 96 4.621 -6.097 1.760 553 HG22 VAL 96 1HG2 VAL 96 3.719 -6.311 0.260 554 HG23 VAL 96 2HG2 VAL 96 5.150 -7.292 0.576 555 H VAL 97 H VAL 97 1.541 -5.532 0.229 556 HA VAL 97 HA VAL 97 -0.176 -7.249 -1.452 557 HB VAL 97 HB VAL 97 -0.268 -4.268 -0.966 558 HG11 VAL 97 1HG1 VAL 97 -0.518 -4.642 -3.363 559 HG12 VAL 97 2HG1 VAL 97 -2.045 -4.135 -2.644 560 HG13 VAL 97 3HG1 VAL 97 -1.783 -5.830 -3.056 561 HG21 VAL 97 3HG2 VAL 97 -2.719 -4.919 -0.534 562 HG22 VAL 97 1HG2 VAL 97 -1.514 -5.339 0.683 563 HG23 VAL 97 2HG2 VAL 97 -2.108 -6.570 -0.431 564 H GLU 98 H GLU 98 0.958 -7.939 -3.161 565 HA GLU 98 HA GLU 98 3.078 -6.263 -4.266 566 HB2 GLU 98 1HB GLU 98 2.429 -9.153 -4.323 567 HB3 GLU 98 2HB GLU 98 3.201 -8.502 -5.765 568 HG2 GLU 98 1HG GLU 98 5.158 -8.028 -4.676 569 HG3 GLU 98 2HG GLU 98 4.365 -7.847 -3.112 570 H ILE 99 H ILE 99 2.668 -4.933 -5.881 571 HA ILE 99 HA ILE 99 0.739 -5.743 -7.960 572 HB ILE 99 HB ILE 99 0.357 -3.102 -8.060 573 HG12 ILE 99 1HG1 ILE 99 0.695 -3.641 -5.101 574 HG13 ILE 99 2HG1 ILE 99 1.831 -2.717 -6.077 575 HG21 ILE 99 1HG2 ILE 99 -1.077 -5.089 -6.316 576 HG22 ILE 99 2HG2 ILE 99 -1.436 -4.660 -7.988 577 HG23 ILE 99 3HG2 ILE 99 -1.709 -3.488 -6.700 578 HD11 ILE 99 3HD1 ILE 99 -0.497 -1.822 -4.746 579 HD12 ILE 99 1HD1 ILE 99 -0.753 -1.628 -6.481 580 HD13 ILE 99 2HD1 ILE 99 0.651 -0.890 -5.707 581 H THR 100 H THR 100 1.062 -4.722 -10.028 582 HA THR 100 HA THR 100 3.819 -3.745 -10.406 583 HB THR 100 HB THR 100 2.285 -5.210 -12.539 584 HG1 THR 100 HG1 THR 100 3.249 -7.115 -11.830 585 HG21 THR 100 3HG2 THR 100 4.354 -3.833 -13.047 586 HG22 THR 100 1HG2 THR 100 4.405 -5.519 -13.557 587 HG23 THR 100 2HG2 THR 100 5.260 -5.013 -12.099 588 HA PRO 101 HA PRO 101 1.243 -0.277 -11.895 589 HB2 PRO 101 1HB PRO 101 3.120 1.624 -11.490 590 HB3 PRO 101 2HB PRO 101 2.116 0.991 -10.180 591 HG2 PRO 101 1HG PRO 101 4.921 0.255 -10.939 592 HG3 PRO 101 2HG PRO 101 4.251 0.571 -9.330 593 HD2 PRO 101 1HD PRO 101 4.632 -1.931 -10.277 594 HD3 PRO 101 2HD PRO 101 3.299 -1.525 -9.176 595 H GLU 102 H GLU 102 1.186 -0.818 -14.081 596 HA GLU 102 HA GLU 102 3.598 -0.368 -15.678 597 HB2 GLU 102 1HB GLU 102 0.934 -1.592 -16.407 598 HB3 GLU 102 2HB GLU 102 2.282 -1.402 -17.520 599 HG2 GLU 102 1HG GLU 102 3.262 -3.250 -16.778 600 HG3 GLU 102 2HG GLU 102 3.103 -2.741 -15.099 601 H GLN 103 H GLN 103 1.863 1.788 -14.489 602 HA GLN 103 HA GLN 103 1.746 3.432 -16.877 603 HB2 GLN 103 1HB GLN 103 -0.609 2.287 -15.776 604 HB3 GLN 103 2HB GLN 103 -0.636 4.003 -15.395 605 HG2 GLN 103 1HG GLN 103 -1.353 4.422 -17.439 606 HG3 GLN 103 2HG GLN 103 0.157 3.784 -18.087 607 HE21 GLN 103 2HE2 GLN 103 0.213 1.342 -18.235 608 HE22 GLN 103 1HE2 GLN 103 -1.225 0.579 -18.825 609 H ALA 104 H ALA 104 2.543 5.395 -16.448 610 HA ALA 104 HA ALA 104 3.163 6.092 -13.710 611 HB1 ALA 104 3HB ALA 104 4.304 6.637 -16.226 612 HB2 ALA 104 1HB ALA 104 4.898 7.118 -14.635 613 HB3 ALA 104 2HB ALA 104 3.821 8.188 -15.537 614 H GLY 105 H GLY 105 1.951 7.316 -12.446 615 HA2 GLY 105 1HA GLY 105 0.751 9.719 -13.058 616 HA3 GLY 105 2HA GLY 105 -0.472 8.503 -13.386 617 H GLU 106 H GLU 106 -1.719 9.530 -11.712 618 HA GLU 106 HA GLU 106 -0.750 9.078 -8.982 619 HB2 GLU 106 1HB GLU 106 -2.567 11.021 -10.239 620 HB3 GLU 106 2HB GLU 106 -3.122 10.400 -8.690 621 HG2 GLU 106 1HG GLU 106 -1.369 11.328 -7.532 622 HG3 GLU 106 2HG GLU 106 -0.317 11.369 -8.946 623 H PHE 107 H PHE 107 -1.498 7.495 -7.784 624 HA PHE 107 HA PHE 107 -4.014 6.156 -8.563 625 HB2 PHE 107 1HB PHE 107 -1.436 4.990 -7.501 626 HB3 PHE 107 2HB PHE 107 -2.946 4.087 -7.519 627 HD1 PHE 107 HD1 PHE 107 -0.289 5.555 -9.566 628 HD2 PHE 107 HD2 PHE 107 -3.866 3.263 -9.576 629 HE1 PHE 107 HE1 PHE 107 0.158 4.874 -11.889 630 HE2 PHE 107 HE2 PHE 107 -3.429 2.575 -11.898 631 HZ PHE 107 HZ PHE 107 -1.413 3.382 -13.057 632 H SER 108 H SER 108 -4.955 4.877 -6.592 633 HA SER 108 HA SER 108 -4.392 6.166 -4.044 634 HB2 SER 108 1HB SER 108 -6.696 6.904 -3.689 635 HB3 SER 108 2HB SER 108 -6.018 7.675 -5.124 636 HG SER 108 HG SER 108 -7.072 5.763 -6.246 637 H PHE 109 H PHE 109 -5.428 5.197 -2.231 638 HA PHE 109 HA PHE 109 -6.868 2.702 -2.633 639 HB2 PHE 109 1HB PHE 109 -5.348 1.450 -1.092 640 HB3 PHE 109 2HB PHE 109 -4.623 1.857 -2.640 641 HD1 PHE 109 HD2 PHE 109 -2.941 3.690 -2.763 642 HD2 PHE 109 HD1 PHE 109 -4.436 2.226 0.945 643 HE1 PHE 109 HE2 PHE 109 -1.025 4.697 -1.595 644 HE2 PHE 109 HE1 PHE 109 -2.519 3.228 2.116 645 HZ PHE 109 HZ PHE 109 -0.811 4.465 0.845 646 H ALA 110 H ALA 110 -8.267 2.208 -1.000 647 HA ALA 110 HA ALA 110 -8.052 3.357 1.624 648 HB1 ALA 110 3HB ALA 110 -8.993 5.323 1.033 649 HB2 ALA 110 1HB ALA 110 -10.486 4.394 1.176 650 HB3 ALA 110 2HB ALA 110 -9.754 4.650 -0.410 651 H CYS 111 H CYS 111 -10.298 3.024 2.799 652 HA CYS 111 HA CYS 111 -11.368 0.408 1.961 653 HB2 CYS 111 1HB CYS 111 -11.555 0.905 4.819 654 HB3 CYS 111 2HB CYS 111 -10.926 -0.499 3.967 655 HG CYS 111 HG CYS 111 -8.763 1.946 3.691 656 H GLY 112 H GLY 112 -13.510 0.345 1.690 657 HA2 GLY 112 1HA GLY 112 -15.734 0.920 1.761 658 HA3 GLY 112 2HA GLY 112 -15.408 1.603 3.347 659 H MET 113 H MET 113 -15.394 3.760 3.587 660 HA MET 113 HA MET 113 -15.234 5.473 1.221 661 HB2 MET 113 1HB MET 113 -17.178 6.808 2.505 662 HB3 MET 113 2HB MET 113 -17.505 5.608 1.265 663 HG2 MET 113 1HG MET 113 -18.743 4.492 2.713 664 HG3 MET 113 2HG MET 113 -17.308 4.206 3.694 665 HE1 MET 113 3HE MET 113 -18.518 5.551 6.890 666 HE2 MET 113 1HE MET 113 -17.019 5.108 6.072 667 HE3 MET 113 2HE MET 113 -18.435 4.067 5.940 668 H ASN 114 H ASN 114 -16.449 6.957 4.051 669 HA ASN 114 HA ASN 114 -15.600 8.452 5.531 670 HB2 ASN 114 1HB ASN 114 -14.251 6.155 5.968 671 HB3 ASN 114 2HB ASN 114 -12.904 7.219 5.580 672 HD21 ASN 114 2HD2 ASN 114 -15.185 6.293 7.923 673 HD22 ASN 114 1HD2 ASN 114 -14.741 7.438 9.138 674 H MET 115 H MET 115 -12.957 9.419 5.896 675 HA MET 115 HA MET 115 -12.563 10.883 3.366 676 HB2 MET 115 1HB MET 115 -11.528 12.665 4.879 677 HB3 MET 115 2HB MET 115 -13.274 12.474 4.943 678 HG2 MET 115 1HG MET 115 -13.053 12.371 7.146 679 HG3 MET 115 2HG MET 115 -12.371 10.764 6.908 680 HE1 MET 115 3HE MET 115 -10.311 10.173 8.191 681 HE2 MET 115 1HE MET 115 -11.255 11.139 9.327 682 HE3 MET 115 2HE MET 115 -9.513 11.386 9.194 683 H MET 116 H MET 116 -11.025 9.038 5.882 684 HA MET 116 HA MET 116 -8.335 9.684 5.254 685 HB2 MET 116 1HB MET 116 -7.916 7.406 6.436 686 HB3 MET 116 2HB MET 116 -8.557 8.751 7.367 687 HG2 MET 116 1HG MET 116 -10.540 7.743 7.719 688 HG3 MET 116 2HG MET 116 -10.558 6.981 6.130 689 HE1 MET 116 3HE MET 116 -8.438 3.964 6.375 690 HE2 MET 116 1HE MET 116 -9.238 5.205 5.410 691 HE3 MET 116 2HE MET 116 -10.194 3.963 6.220 692 H HIS 117 H HIS 117 -7.261 9.202 3.470 693 HA HIS 117 HA HIS 117 -7.517 6.573 2.273 694 HB2 HIS 117 1HB HIS 117 -7.982 7.401 0.023 695 HB3 HIS 117 2HB HIS 117 -9.269 7.869 1.127 696 HD1 HIS 117 HD1 HIS 117 -9.156 10.464 1.957 697 HD2 HIS 117 HD2 HIS 117 -6.889 9.455 -1.390 698 HE1 HIS 117 HE1 HIS 117 -8.618 12.640 0.818 699 H GLY 118 H GLY 118 -5.797 6.034 0.833 700 HA2 GLY 118 1HA GLY 118 -3.419 7.719 1.275 701 HA3 GLY 118 2HA GLY 118 -3.394 5.989 0.966 702 H LYS 119 H LYS 119 -2.015 8.215 -0.399 703 HA LYS 119 HA LYS 119 -3.120 7.815 -3.106 704 HB2 LYS 119 1HB LYS 119 -3.129 10.174 -2.145 705 HB3 LYS 119 2HB LYS 119 -1.376 10.125 -2.267 706 HG2 LYS 119 1HG LYS 119 -1.420 10.067 -4.599 707 HG3 LYS 119 2HG LYS 119 -3.114 9.577 -4.644 708 HD2 LYS 119 1HD LYS 119 -3.549 11.743 -5.021 709 HD3 LYS 119 2HD LYS 119 -3.221 11.968 -3.301 710 HE2 LYS 119 1HE LYS 119 -1.042 12.714 -3.695 711 HE3 LYS 119 2HE LYS 119 -1.011 12.046 -5.326 712 HZ1 LYS 119 3HZ LYS 119 -1.412 14.610 -4.832 713 HZ2 LYS 119 1HZ LYS 119 -3.021 14.084 -4.798 714 HZ3 LYS 119 2HZ LYS 119 -2.077 13.828 -6.187 715 H MET 120 H MET 120 -1.719 7.323 -4.783 716 HA MET 120 HA MET 120 1.071 6.734 -4.020 717 HB2 MET 120 1HB MET 120 -0.209 4.647 -4.094 718 HB3 MET 120 2HB MET 120 -0.747 5.020 -5.722 719 HG2 MET 120 1HG MET 120 1.994 5.166 -5.916 720 HG3 MET 120 2HG MET 120 1.732 3.823 -4.804 721 HE1 MET 120 3HE MET 120 1.023 1.642 -5.332 722 HE2 MET 120 1HE MET 120 0.279 1.059 -6.821 723 HE3 MET 120 2HE MET 120 -0.652 2.056 -5.703 724 H ILE 121 H ILE 121 2.621 7.350 -5.461 725 HA ILE 121 HA ILE 121 1.668 8.429 -8.041 726 HB ILE 121 HB ILE 121 3.901 9.505 -6.307 727 HG12 ILE 121 1HG1 ILE 121 2.242 11.591 -6.869 728 HG13 ILE 121 2HG1 ILE 121 1.088 10.262 -6.807 729 HG21 ILE 121 1HG2 ILE 121 3.029 10.320 -9.078 730 HG22 ILE 121 2HG2 ILE 121 4.588 9.635 -8.613 731 HG23 ILE 121 3HG2 ILE 121 4.131 11.246 -8.059 732 HD11 ILE 121 3HD1 ILE 121 1.500 11.552 -4.666 733 HD12 ILE 121 1HD1 ILE 121 3.070 10.748 -4.612 734 HD13 ILE 121 2HD1 ILE 121 1.586 9.792 -4.573 735 H VAL 122 H VAL 122 2.378 7.327 -9.717 736 HA VAL 122 HA VAL 122 4.794 5.683 -9.434 737 HB VAL 122 HB VAL 122 2.633 5.594 -11.547 738 HG11 VAL 122 1HG1 VAL 122 4.670 3.452 -11.103 739 HG12 VAL 122 2HG1 VAL 122 5.055 4.845 -12.115 740 HG13 VAL 122 3HG1 VAL 122 3.701 3.796 -12.536 741 HG21 VAL 122 3HG2 VAL 122 2.040 4.872 -9.188 742 HG22 VAL 122 1HG2 VAL 122 3.190 3.554 -9.411 743 HG23 VAL 122 2HG2 VAL 122 1.780 3.682 -10.462 744 H GLU 123 H GLU 123 6.638 6.332 -10.300 745 HA GLU 123 HA GLU 123 6.686 8.621 -12.090 746 HB2 GLU 123 1HB GLU 123 8.668 7.151 -10.439 747 HB3 GLU 123 2HB GLU 123 9.279 7.954 -11.879 748 HG2 GLU 123 1HG GLU 123 7.503 9.560 -10.164 749 HG3 GLU 123 2HG GLU 123 9.070 9.134 -9.478 Start of MODEL 5 1 HA2 GLY 26 1HA GLY 26 -0.341 14.873 1.049 2 HA3 GLY 26 2HA GLY 26 -1.181 16.147 1.922 3 H ALA 27 H ALA 27 1.743 16.821 2.805 4 HA ALA 27 HA ALA 27 2.391 18.429 0.413 5 HB1 ALA 27 3HB ALA 27 1.645 19.969 2.016 6 HB2 ALA 27 1HB ALA 27 3.405 20.051 2.101 7 HB3 ALA 27 2HB ALA 27 2.505 19.156 3.324 8 H MET 28 H MET 28 3.414 15.856 2.151 9 HA MET 28 HA MET 28 6.243 16.405 1.531 10 HB2 MET 28 1HB MET 28 5.199 15.981 4.062 11 HB3 MET 28 2HB MET 28 5.841 14.406 3.617 12 HG2 MET 28 1HG MET 28 7.656 15.363 4.626 13 HG3 MET 28 2HG MET 28 7.952 15.768 2.936 14 HE1 MET 28 3HE MET 28 9.297 18.898 4.876 15 HE2 MET 28 1HE MET 28 9.713 17.454 3.954 16 HE3 MET 28 2HE MET 28 9.224 17.312 5.643 17 H GLY 29 H GLY 29 4.475 13.487 2.583 18 HA2 GLY 29 1HA GLY 29 3.959 11.602 1.255 19 HA3 GLY 29 2HA GLY 29 4.993 12.236 -0.013 20 H GLN 30 H GLN 30 5.222 9.629 0.507 21 HA GLN 30 HA GLN 30 7.827 9.464 1.873 22 HB2 GLN 30 1HB GLN 30 5.362 8.082 2.566 23 HB3 GLN 30 2HB GLN 30 6.676 6.959 2.242 24 HG2 GLN 30 1HG GLN 30 6.925 7.311 4.489 25 HG3 GLN 30 2HG GLN 30 8.030 8.516 3.832 26 HE21 GLN 30 2HE2 GLN 30 7.899 9.829 5.631 27 HE22 GLN 30 1HE2 GLN 30 6.487 10.743 6.017 28 H LYS 31 H LYS 31 9.366 8.542 0.691 29 HA LYS 31 HA LYS 31 8.661 7.338 -1.862 30 HB2 LYS 31 1HB LYS 31 10.818 8.908 -0.920 31 HB3 LYS 31 2HB LYS 31 11.482 7.346 -1.378 32 HG2 LYS 31 1HG LYS 31 10.634 7.550 -3.590 33 HG3 LYS 31 2HG LYS 31 9.701 8.983 -3.161 34 HD2 LYS 31 1HD LYS 31 11.578 9.841 -4.259 35 HD3 LYS 31 2HD LYS 31 11.972 10.022 -2.547 36 HE2 LYS 31 1HE LYS 31 13.143 7.789 -2.719 37 HE3 LYS 31 2HE LYS 31 12.956 7.928 -4.468 38 HZ1 LYS 31 3HZ LYS 31 14.090 10.260 -3.196 39 HZ2 LYS 31 1HZ LYS 31 14.578 9.446 -4.596 40 HZ3 LYS 31 2HZ LYS 31 15.051 8.874 -3.076 41 H ALA 32 H ALA 32 8.723 5.223 -2.271 42 HA ALA 32 HA ALA 32 9.194 3.361 -0.156 43 HB1 ALA 32 3HB ALA 32 8.647 1.650 -1.815 44 HB2 ALA 32 1HB ALA 32 8.708 2.867 -3.090 45 HB3 ALA 32 2HB ALA 32 7.471 2.967 -1.836 46 H GLN 33 H GLN 33 10.745 1.631 -0.147 47 HA GLN 33 HA GLN 33 13.330 2.532 -1.097 48 HB2 GLN 33 1HB GLN 33 14.284 0.836 0.296 49 HB3 GLN 33 2HB GLN 33 13.022 1.645 1.209 50 HG2 GLN 33 1HG GLN 33 11.514 -0.218 0.801 51 HG3 GLN 33 2HG GLN 33 12.753 -1.023 -0.162 52 HE21 GLN 33 2HE2 GLN 33 13.896 0.707 2.549 53 HE22 GLN 33 1HE2 GLN 33 14.152 -0.647 3.588 54 H GLN 34 H GLN 34 14.601 1.582 -2.599 55 HA GLN 34 HA GLN 34 13.286 -0.327 -4.376 56 HB2 GLN 34 1HB GLN 34 15.796 1.320 -4.743 57 HB3 GLN 34 2HB GLN 34 15.114 0.248 -5.957 58 HG2 GLN 34 1HG GLN 34 13.176 1.604 -6.185 59 HG3 GLN 34 2HG GLN 34 13.612 2.568 -4.776 60 HE21 GLN 34 2HE2 GLN 34 14.979 4.258 -5.010 61 HE22 GLN 34 1HE2 GLN 34 15.649 4.757 -6.521 62 H LYS 35 H LYS 35 13.657 -2.407 -4.086 63 HA LYS 35 HA LYS 35 16.115 -3.286 -2.765 64 HB2 LYS 35 1HB LYS 35 13.749 -4.984 -3.558 65 HB3 LYS 35 2HB LYS 35 15.006 -5.373 -2.396 66 HG2 LYS 35 1HG LYS 35 13.511 -2.928 -1.789 67 HG3 LYS 35 2HG LYS 35 12.550 -4.406 -1.769 68 HD2 LYS 35 1HD LYS 35 15.083 -4.797 -0.436 69 HD3 LYS 35 2HD LYS 35 14.203 -3.438 0.263 70 HE2 LYS 35 1HE LYS 35 12.264 -5.388 -0.079 71 HE3 LYS 35 2HE LYS 35 13.683 -6.289 0.454 72 HZ1 LYS 35 3HZ LYS 35 11.983 -5.112 2.127 73 HZ2 LYS 35 1HZ LYS 35 13.091 -3.832 1.917 74 HZ3 LYS 35 2HZ LYS 35 13.628 -5.343 2.485 75 H ASN 36 H ASN 36 15.867 -5.990 -3.952 76 HA ASN 36 HA ASN 36 17.551 -5.511 -6.249 77 HB2 ASN 36 1HB ASN 36 16.862 -7.843 -4.546 78 HB3 ASN 36 2HB ASN 36 17.383 -8.182 -6.193 79 HD21 ASN 36 2HD2 ASN 36 19.488 -8.215 -6.601 80 HD22 ASN 36 1HD2 ASN 36 20.723 -7.661 -5.529 81 H GLY 37 H GLY 37 15.728 -4.504 -7.499 82 HA2 GLY 37 1HA GLY 37 14.754 -4.918 -9.633 83 HA3 GLY 37 2HA GLY 37 14.511 -6.593 -9.169 84 H TYR 38 H TYR 38 13.474 -4.964 -6.555 85 HA TYR 38 HA TYR 38 10.833 -4.276 -7.597 86 HB2 TYR 38 1HB TYR 38 9.689 -5.666 -5.907 87 HB3 TYR 38 2HB TYR 38 10.622 -6.641 -7.032 88 HD1 TYR 38 HD2 TYR 38 12.882 -7.529 -6.264 89 HD2 TYR 38 HD1 TYR 38 10.043 -5.825 -3.592 90 HE1 TYR 38 HE2 TYR 38 14.004 -8.636 -4.377 91 HE2 TYR 38 HE1 TYR 38 11.157 -6.929 -1.699 92 HH TYR 38 HH TYR 38 12.685 -8.471 -1.104 93 H GLN 39 H GLN 39 9.459 -3.191 -5.924 94 HA GLN 39 HA GLN 39 11.190 -1.713 -4.046 95 HB2 GLN 39 1HB GLN 39 8.621 -0.455 -4.626 96 HB3 GLN 39 2HB GLN 39 10.236 0.232 -4.627 97 HG2 GLN 39 1HG GLN 39 10.072 -1.429 -6.889 98 HG3 GLN 39 2HG GLN 39 8.579 -0.496 -6.829 99 HE21 GLN 39 2HE2 GLN 39 11.927 -0.440 -7.469 100 HE22 GLN 39 1HE2 GLN 39 12.051 1.233 -7.874 101 H GLU 40 H GLU 40 10.340 -1.093 -2.005 102 HA GLU 40 HA GLU 40 7.907 -2.476 -1.130 103 HB2 GLU 40 1HB GLU 40 9.931 -3.929 -0.703 104 HB3 GLU 40 2HB GLU 40 10.491 -2.697 0.417 105 HG2 GLU 40 1HG GLU 40 7.911 -3.172 1.248 106 HG3 GLU 40 2HG GLU 40 8.479 -4.768 0.761 107 H ILE 41 H ILE 41 6.818 -1.488 0.527 108 HA ILE 41 HA ILE 41 8.061 0.759 1.921 109 HB ILE 41 HB ILE 41 7.094 1.968 0.127 110 HG12 ILE 41 1HG1 ILE 41 4.766 2.645 1.553 111 HG13 ILE 41 2HG1 ILE 41 5.931 2.138 2.765 112 HG21 ILE 41 1HG2 ILE 41 4.479 1.633 -0.174 113 HG22 ILE 41 2HG2 ILE 41 4.889 0.010 0.378 114 HG23 ILE 41 3HG2 ILE 41 5.662 0.670 -1.064 115 HD11 ILE 41 3HD1 ILE 41 6.082 4.507 2.456 116 HD12 ILE 41 1HD1 ILE 41 6.290 4.311 0.714 117 HD13 ILE 41 2HD1 ILE 41 7.547 3.755 1.822 118 H ARG 42 H ARG 42 7.518 0.785 4.012 119 HA ARG 42 HA ARG 42 5.466 -1.056 4.933 120 HB2 ARG 42 1HB ARG 42 7.955 -0.365 5.920 121 HB3 ARG 42 2HB ARG 42 6.845 0.471 6.998 122 HG2 ARG 42 1HG ARG 42 5.678 -1.650 7.417 123 HG3 ARG 42 2HG ARG 42 6.840 -2.476 6.377 124 HD2 ARG 42 1HD ARG 42 8.501 -2.370 7.921 125 HD3 ARG 42 2HD ARG 42 7.956 -0.819 8.558 126 HE ARG 42 HE ARG 42 7.113 -3.456 9.417 127 HH11 ARG 42 1HH1 ARG 42 6.529 -0.040 9.519 128 HH12 ARG 42 2HH1 ARG 42 5.565 -0.117 10.957 129 HH21 ARG 42 1HH2 ARG 42 5.864 -3.562 11.294 130 HH22 ARG 42 2HH2 ARG 42 5.209 -2.100 11.964 131 H VAL 43 H VAL 43 3.475 -0.343 5.019 132 HA VAL 43 HA VAL 43 2.948 2.470 5.697 133 HB VAL 43 HB VAL 43 1.069 0.418 4.498 134 HG11 VAL 43 1HG1 VAL 43 0.526 2.884 5.721 135 HG12 VAL 43 2HG1 VAL 43 -0.569 1.897 4.751 136 HG13 VAL 43 3HG1 VAL 43 0.397 3.158 3.982 137 HG21 VAL 43 3HG2 VAL 43 2.539 2.674 3.147 138 HG22 VAL 43 1HG2 VAL 43 1.413 1.550 2.386 139 HG23 VAL 43 2HG2 VAL 43 2.954 0.967 3.016 140 H GLU 44 H GLU 44 2.812 2.666 7.851 141 HA GLU 44 HA GLU 44 1.733 0.610 9.533 142 HB2 GLU 44 1HB GLU 44 3.532 2.294 10.184 143 HB3 GLU 44 2HB GLU 44 2.235 3.471 10.345 144 HG2 GLU 44 1HG GLU 44 1.892 2.777 12.413 145 HG3 GLU 44 2HG GLU 44 1.435 1.194 11.789 146 H VAL 45 H VAL 45 -0.313 0.208 9.846 147 HA VAL 45 HA VAL 45 -2.328 2.210 9.161 148 HB VAL 45 HB VAL 45 -2.473 -0.778 9.549 149 HG11 VAL 45 1HG1 VAL 45 -4.524 0.267 10.417 150 HG12 VAL 45 2HG1 VAL 45 -4.811 -0.696 8.965 151 HG13 VAL 45 3HG1 VAL 45 -4.750 1.064 8.859 152 HG21 VAL 45 3HG2 VAL 45 -3.350 0.595 7.078 153 HG22 VAL 45 1HG2 VAL 45 -2.549 -0.963 7.287 154 HG23 VAL 45 2HG2 VAL 45 -1.618 0.530 7.399 155 H MET 46 H MET 46 -2.546 3.515 10.899 156 HA MET 46 HA MET 46 -3.763 2.324 13.272 157 HB2 MET 46 1HB MET 46 -2.392 4.019 14.667 158 HB3 MET 46 2HB MET 46 -1.615 2.529 14.154 159 HG2 MET 46 1HG MET 46 -0.759 3.890 12.161 160 HG3 MET 46 2HG MET 46 -1.235 5.302 13.101 161 HE1 MET 46 3HE MET 46 0.156 6.334 14.984 162 HE2 MET 46 1HE MET 46 1.147 5.365 16.075 163 HE3 MET 46 2HE MET 46 -0.580 5.044 15.934 164 H GLY 47 H GLY 47 -5.739 3.157 12.653 165 HA2 GLY 47 1HA GLY 47 -7.405 4.769 12.871 166 HA3 GLY 47 2HA GLY 47 -6.166 5.958 13.256 167 H GLY 48 H GLY 48 -5.134 4.413 10.583 168 HA2 GLY 48 1HA GLY 48 -6.558 5.147 8.389 169 HA3 GLY 48 2HA GLY 48 -5.722 6.624 8.847 170 H TYR 49 H TYR 49 -4.130 6.851 7.380 171 HA TYR 49 HA TYR 49 -2.290 4.575 7.027 172 HB2 TYR 49 1HB TYR 49 -3.091 6.621 4.942 173 HB3 TYR 49 2HB TYR 49 -1.896 5.349 4.712 174 HD1 TYR 49 HD2 TYR 49 -2.740 2.907 5.049 175 HD2 TYR 49 HD1 TYR 49 -5.316 6.229 4.395 176 HE1 TYR 49 HE2 TYR 49 -4.523 1.376 4.329 177 HE2 TYR 49 HE1 TYR 49 -7.108 4.707 3.679 178 HH TYR 49 HH TYR 49 -7.027 1.393 4.207 179 H THR 50 H THR 50 -0.183 4.983 7.458 180 HA THR 50 HA THR 50 0.536 7.512 8.552 181 HB THR 50 HB THR 50 2.226 5.090 7.933 182 HG1 THR 50 HG1 THR 50 0.845 4.757 9.660 183 HG21 THR 50 3HG2 THR 50 4.062 6.098 9.047 184 HG22 THR 50 1HG2 THR 50 3.081 7.467 9.574 185 HG23 THR 50 2HG2 THR 50 3.500 7.285 7.869 186 HA PRO 51 HA PRO 51 3.195 8.338 4.688 187 HB2 PRO 51 1HB PRO 51 3.295 6.577 2.643 188 HB3 PRO 51 2HB PRO 51 4.394 6.485 4.024 189 HG2 PRO 51 1HG PRO 51 1.914 4.908 3.468 190 HG3 PRO 51 2HG PRO 51 3.469 4.360 4.117 191 HD2 PRO 51 1HD PRO 51 1.294 4.845 5.681 192 HD3 PRO 51 2HD PRO 51 2.967 5.040 6.239 193 H GLU 52 H GLU 52 1.637 9.857 4.270 194 HA GLU 52 HA GLU 52 -0.882 9.540 3.216 195 HB2 GLU 52 1HB GLU 52 -0.615 11.914 2.363 196 HB3 GLU 52 2HB GLU 52 -0.309 11.664 4.076 197 HG2 GLU 52 1HG GLU 52 2.142 11.352 2.664 198 HG3 GLU 52 2HG GLU 52 1.370 12.844 2.134 199 H LEU 53 H LEU 53 2.119 10.059 1.363 200 HA LEU 53 HA LEU 53 0.739 8.971 -0.989 201 HB2 LEU 53 1HB LEU 53 2.773 10.863 -1.765 202 HB3 LEU 53 2HB LEU 53 1.099 10.766 -2.254 203 HG LEU 53 HG LEU 53 1.673 11.956 0.402 204 HD11 LEU 53 1HD1 LEU 53 1.958 13.585 -2.102 205 HD12 LEU 53 2HD1 LEU 53 3.346 12.877 -1.278 206 HD13 LEU 53 3HD1 LEU 53 2.327 14.046 -0.440 207 HD21 LEU 53 3HD2 LEU 53 -0.350 12.950 0.130 208 HD22 LEU 53 1HD2 LEU 53 -0.595 11.584 -0.957 209 HD23 LEU 53 2HD2 LEU 53 -0.138 13.158 -1.608 210 H ILE 54 H ILE 54 1.743 7.194 -1.660 211 HA ILE 54 HA ILE 54 4.566 6.809 -0.947 212 HB ILE 54 HB ILE 54 4.135 4.435 -1.804 213 HG12 ILE 54 1HG1 ILE 54 1.251 5.253 -1.414 214 HG13 ILE 54 2HG1 ILE 54 2.007 5.034 -2.990 215 HG21 ILE 54 1HG2 ILE 54 2.447 4.336 0.428 216 HG22 ILE 54 2HG2 ILE 54 3.510 5.720 0.681 217 HG23 ILE 54 3HG2 ILE 54 4.197 4.124 0.386 218 HD11 ILE 54 3HD1 ILE 54 2.405 2.701 -2.502 219 HD12 ILE 54 1HD1 ILE 54 0.697 3.088 -2.293 220 HD13 ILE 54 2HD1 ILE 54 1.738 2.904 -0.881 221 H VAL 55 H VAL 55 6.162 6.874 -2.394 222 HA VAL 55 HA VAL 55 5.452 7.323 -5.200 223 HB VAL 55 HB VAL 55 8.070 7.712 -3.747 224 HG11 VAL 55 1HG1 VAL 55 9.126 8.017 -5.678 225 HG12 VAL 55 2HG1 VAL 55 7.839 9.051 -6.298 226 HG13 VAL 55 3HG1 VAL 55 7.721 7.299 -6.467 227 HG21 VAL 55 3HG2 VAL 55 6.014 9.671 -4.755 228 HG22 VAL 55 1HG2 VAL 55 7.603 10.117 -4.133 229 HG23 VAL 55 2HG2 VAL 55 6.427 9.337 -3.074 230 H LEU 56 H LEU 56 5.689 5.827 -6.705 231 HA LEU 56 HA LEU 56 7.569 3.595 -6.267 232 HB2 LEU 56 1HB LEU 56 4.670 3.516 -6.938 233 HB3 LEU 56 2HB LEU 56 5.704 2.352 -7.725 234 HG LEU 56 HG LEU 56 5.022 1.124 -5.931 235 HD11 LEU 56 1HD1 LEU 56 7.530 1.485 -5.881 236 HD12 LEU 56 2HD1 LEU 56 6.779 0.867 -4.409 237 HD13 LEU 56 3HD1 LEU 56 7.236 2.566 -4.518 238 HD21 LEU 56 3HD2 LEU 56 3.586 2.362 -4.703 239 HD22 LEU 56 1HD2 LEU 56 4.664 3.757 -4.640 240 HD23 LEU 56 2HD2 LEU 56 4.949 2.373 -3.585 241 H LYS 57 H LYS 57 8.341 2.563 -8.230 242 HA LYS 57 HA LYS 57 8.545 4.448 -10.446 243 HB2 LYS 57 1HB LYS 57 10.107 2.159 -9.455 244 HB3 LYS 57 2HB LYS 57 10.003 2.256 -11.207 245 HG2 LYS 57 1HG LYS 57 11.023 4.379 -11.250 246 HG3 LYS 57 2HG LYS 57 10.831 4.590 -9.509 247 HD2 LYS 57 1HD LYS 57 12.574 3.172 -9.007 248 HD3 LYS 57 2HD LYS 57 12.414 2.272 -10.519 249 HE2 LYS 57 1HE LYS 57 13.425 4.034 -11.764 250 HE3 LYS 57 2HE LYS 57 13.362 5.127 -10.382 251 HZ1 LYS 57 3HZ LYS 57 14.825 3.289 -9.276 252 HZ2 LYS 57 1HZ LYS 57 15.528 4.431 -10.322 253 HZ3 LYS 57 2HZ LYS 57 15.180 2.876 -10.886 254 H LYS 58 H LYS 58 8.469 3.423 -12.734 255 HA LYS 58 HA LYS 58 5.957 1.920 -12.872 256 HB2 LYS 58 1HB LYS 58 6.273 4.127 -14.091 257 HB3 LYS 58 2HB LYS 58 7.355 3.263 -15.179 258 HG2 LYS 58 1HG LYS 58 5.539 1.740 -15.776 259 HG3 LYS 58 2HG LYS 58 4.456 2.611 -14.693 260 HD2 LYS 58 1HD LYS 58 3.911 3.790 -16.518 261 HD3 LYS 58 2HD LYS 58 5.437 4.632 -16.238 262 HE2 LYS 58 1HE LYS 58 6.011 3.997 -18.299 263 HE3 LYS 58 2HE LYS 58 6.195 2.375 -17.636 264 HZ1 LYS 58 3HZ LYS 58 3.910 3.509 -19.121 265 HZ2 LYS 58 1HZ LYS 58 3.701 2.147 -18.126 266 HZ3 LYS 58 2HZ LYS 58 4.780 2.094 -19.436 267 H SER 59 H SER 59 5.664 0.103 -14.103 268 HA SER 59 HA SER 59 6.117 -1.897 -15.065 269 HB2 SER 59 1HB SER 59 7.148 -0.584 -16.868 270 HB3 SER 59 2HB SER 59 8.682 -0.583 -15.997 271 HG SER 59 HG SER 59 8.471 -2.969 -16.104 272 H VAL 60 H VAL 60 7.199 -1.104 -12.338 273 HA VAL 60 HA VAL 60 9.068 -3.364 -12.066 274 HB VAL 60 HB VAL 60 10.120 -1.081 -11.759 275 HG11 VAL 60 1HG1 VAL 60 9.736 -0.122 -9.426 276 HG12 VAL 60 2HG1 VAL 60 8.238 -1.055 -9.429 277 HG13 VAL 60 3HG1 VAL 60 8.506 0.188 -10.652 278 HG21 VAL 60 3HG2 VAL 60 11.238 -3.010 -10.886 279 HG22 VAL 60 1HG2 VAL 60 10.188 -3.033 -9.467 280 HG23 VAL 60 2HG2 VAL 60 11.341 -1.717 -9.689 281 HA PRO 61 HA PRO 61 5.998 -5.004 -9.283 282 HB2 PRO 61 1HB PRO 61 7.640 -6.723 -7.899 283 HB3 PRO 61 2HB PRO 61 6.933 -7.082 -9.478 284 HG2 PRO 61 1HG PRO 61 9.679 -6.112 -8.803 285 HG3 PRO 61 2HG PRO 61 9.177 -7.309 -10.012 286 HD2 PRO 61 1HD PRO 61 9.833 -4.780 -10.681 287 HD3 PRO 61 2HD PRO 61 8.578 -5.690 -11.549 288 H ALA 62 H ALA 62 5.243 -3.925 -7.567 289 HA ALA 62 HA ALA 62 7.165 -3.115 -5.476 290 HB1 ALA 62 3HB ALA 62 5.493 -1.194 -5.090 291 HB2 ALA 62 1HB ALA 62 4.916 -1.574 -6.713 292 HB3 ALA 62 2HB ALA 62 6.596 -1.093 -6.463 293 H ARG 63 H ARG 63 6.663 -3.613 -3.402 294 HA ARG 63 HA ARG 63 4.014 -4.801 -2.954 295 HB2 ARG 63 1HB ARG 63 4.958 -6.341 -1.381 296 HB3 ARG 63 2HB ARG 63 5.842 -6.450 -2.892 297 HG2 ARG 63 1HG ARG 63 7.307 -4.619 -1.496 298 HG3 ARG 63 2HG ARG 63 6.750 -5.717 -0.233 299 HD2 ARG 63 1HD ARG 63 7.754 -6.980 -2.700 300 HD3 ARG 63 2HD ARG 63 8.949 -6.139 -1.721 301 HE ARG 63 HE ARG 63 7.354 -8.456 -0.894 302 HH11 ARG 63 1HH1 ARG 63 9.945 -6.230 -0.280 303 HH12 ARG 63 2HH1 ARG 63 10.596 -7.163 1.021 304 HH21 ARG 63 1HH2 ARG 63 8.220 -9.667 0.801 305 HH22 ARG 63 2HH2 ARG 63 9.629 -9.097 1.626 306 H ILE 64 H ILE 64 2.761 -3.922 -1.525 307 HA ILE 64 HA ILE 64 3.834 -1.819 0.222 308 HB ILE 64 HB ILE 64 0.906 -2.369 -0.117 309 HG12 ILE 64 1HG1 ILE 64 2.004 -2.243 -2.394 310 HG13 ILE 64 2HG1 ILE 64 0.766 -1.031 -2.090 311 HG21 ILE 64 1HG2 ILE 64 2.335 0.254 0.197 312 HG22 ILE 64 2HG2 ILE 64 1.845 -0.743 1.567 313 HG23 ILE 64 3HG2 ILE 64 0.628 -0.101 0.463 314 HD11 ILE 64 3HD1 ILE 64 3.427 -0.646 -2.928 315 HD12 ILE 64 1HD1 ILE 64 3.291 0.027 -1.302 316 HD13 ILE 64 2HD1 ILE 64 2.202 0.574 -2.581 317 H VAL 65 H VAL 65 4.306 -2.388 2.253 318 HA VAL 65 HA VAL 65 3.048 -4.743 3.435 319 HB VAL 65 HB VAL 65 5.125 -3.018 4.767 320 HG11 VAL 65 1HG1 VAL 65 3.868 -4.802 6.031 321 HG12 VAL 65 2HG1 VAL 65 5.625 -4.951 6.044 322 HG13 VAL 65 3HG1 VAL 65 4.661 -5.984 4.989 323 HG21 VAL 65 3HG2 VAL 65 6.095 -5.412 3.380 324 HG22 VAL 65 1HG2 VAL 65 6.812 -3.807 3.513 325 HG23 VAL 65 2HG2 VAL 65 5.557 -4.114 2.312 326 H PHE 66 H PHE 66 1.111 -4.406 4.358 327 HA PHE 66 HA PHE 66 0.602 -1.877 5.742 328 HB2 PHE 66 1HB PHE 66 -1.195 -4.132 4.860 329 HB3 PHE 66 2HB PHE 66 -1.765 -2.823 5.896 330 HD1 PHE 66 HD2 PHE 66 -1.343 -0.417 5.006 331 HD2 PHE 66 HD1 PHE 66 -1.318 -3.903 2.568 332 HE1 PHE 66 HE2 PHE 66 -1.747 0.975 3.020 333 HE2 PHE 66 HE1 PHE 66 -1.719 -2.517 0.576 334 HZ PHE 66 HZ PHE 66 -1.934 -0.074 0.802 335 H ASP 67 H ASP 67 1.097 -1.749 7.802 336 HA ASP 67 HA ASP 67 1.045 -4.158 9.481 337 HB2 ASP 67 1HB ASP 67 3.123 -2.839 9.472 338 HB3 ASP 67 2HB ASP 67 2.229 -1.416 9.995 339 H ARG 68 H ARG 68 -0.976 -4.477 10.275 340 HA ARG 68 HA ARG 68 -2.715 -2.284 10.916 341 HB2 ARG 68 1HB ARG 68 -3.069 -4.984 10.355 342 HB3 ARG 68 2HB ARG 68 -3.533 -4.828 12.043 343 HG2 ARG 68 1HG ARG 68 -4.706 -2.658 10.692 344 HG3 ARG 68 2HG ARG 68 -4.982 -4.086 9.695 345 HD2 ARG 68 1HD ARG 68 -5.445 -4.361 12.608 346 HD3 ARG 68 2HD ARG 68 -6.599 -3.384 11.700 347 HE ARG 68 HE ARG 68 -6.051 -5.934 10.499 348 HH11 ARG 68 1HH1 ARG 68 -8.007 -4.257 12.821 349 HH12 ARG 68 2HH1 ARG 68 -9.292 -5.413 12.747 350 HH21 ARG 68 1HH2 ARG 68 -7.717 -7.427 10.406 351 HH22 ARG 68 2HH2 ARG 68 -9.128 -7.204 11.397 352 H LYS 69 H LYS 69 -1.966 -1.044 12.524 353 HA LYS 69 HA LYS 69 -1.100 -2.238 15.043 354 HB2 LYS 69 1HB LYS 69 0.303 -0.472 14.390 355 HB3 LYS 69 2HB LYS 69 -1.042 0.528 13.869 356 HG2 LYS 69 1HG LYS 69 -0.489 1.598 15.798 357 HG3 LYS 69 2HG LYS 69 -1.652 0.434 16.435 358 HD2 LYS 69 1HD LYS 69 0.011 -0.012 17.894 359 HD3 LYS 69 2HD LYS 69 0.598 -1.031 16.579 360 HE2 LYS 69 1HE LYS 69 1.462 1.732 16.313 361 HE3 LYS 69 2HE LYS 69 1.991 1.008 17.831 362 HZ1 LYS 69 3HZ LYS 69 2.438 -0.873 15.839 363 HZ2 LYS 69 1HZ LYS 69 3.595 0.009 16.703 364 HZ3 LYS 69 2HZ LYS 69 3.011 0.604 15.222 365 H ASP 70 H ASP 70 -3.642 -0.131 13.778 366 HA ASP 70 HA ASP 70 -5.036 -0.243 16.354 367 HB2 ASP 70 1HB ASP 70 -4.632 1.918 14.929 368 HB3 ASP 70 2HB ASP 70 -6.018 1.343 14.006 369 HA PRO 71 HA PRO 71 -7.756 -3.343 14.635 370 HB2 PRO 71 1HB PRO 71 -9.347 -3.679 16.749 371 HB3 PRO 71 2HB PRO 71 -7.646 -4.160 16.806 372 HG2 PRO 71 1HG PRO 71 -8.948 -1.676 17.869 373 HG3 PRO 71 2HG PRO 71 -7.757 -2.732 18.653 374 HD2 PRO 71 1HD PRO 71 -7.115 -0.387 17.384 375 HD3 PRO 71 2HD PRO 71 -5.993 -1.750 17.562 376 H SER 72 H SER 72 -8.301 -0.603 13.857 377 HA SER 72 HA SER 72 -11.015 0.075 14.380 378 HB2 SER 72 1HB SER 72 -9.489 1.809 13.671 379 HB3 SER 72 2HB SER 72 -9.126 0.944 12.179 380 HG SER 72 HG SER 72 -10.891 2.767 12.404 381 HA PRO 73 HA PRO 73 -13.087 -2.784 11.673 382 HB2 PRO 73 1HB PRO 73 -15.405 -1.379 11.323 383 HB3 PRO 73 2HB PRO 73 -15.039 -2.315 12.776 384 HG2 PRO 73 1HG PRO 73 -14.737 0.627 12.293 385 HG3 PRO 73 2HG PRO 73 -15.404 -0.208 13.711 386 HD2 PRO 73 1HD PRO 73 -12.904 0.765 13.711 387 HD3 PRO 73 2HD PRO 73 -13.296 -0.768 14.522 388 H CYS 74 H CYS 74 -12.717 0.614 10.870 389 HA CYS 74 HA CYS 74 -13.425 0.264 8.097 390 HB2 CYS 74 1HB CYS 74 -12.134 2.601 9.520 391 HB3 CYS 74 2HB CYS 74 -12.722 2.623 7.860 392 HG CYS 74 HG CYS 74 -14.909 1.798 10.315 393 H LEU 75 H LEU 75 -10.726 -0.484 9.899 394 HA LEU 75 HA LEU 75 -8.962 -0.275 7.545 395 HB2 LEU 75 1HB LEU 75 -8.359 -0.060 10.478 396 HB3 LEU 75 2HB LEU 75 -7.107 -0.433 9.312 397 HG LEU 75 HG LEU 75 -8.817 2.045 9.132 398 HD11 LEU 75 1HD1 LEU 75 -7.302 3.245 10.377 399 HD12 LEU 75 2HD1 LEU 75 -6.016 2.059 10.154 400 HD13 LEU 75 3HD1 LEU 75 -7.349 1.718 11.258 401 HD21 LEU 75 3HD2 LEU 75 -6.437 2.599 7.968 402 HD22 LEU 75 1HD2 LEU 75 -7.856 2.016 7.097 403 HD23 LEU 75 2HD2 LEU 75 -6.598 0.883 7.592 404 H ASP 76 H ASP 76 -10.857 -2.441 8.741 405 HA ASP 76 HA ASP 76 -9.218 -4.631 9.493 406 HB2 ASP 76 1HB ASP 76 -11.821 -4.189 9.724 407 HB3 ASP 76 2HB ASP 76 -11.875 -5.072 8.203 408 H GLN 77 H GLN 77 -10.445 -3.502 6.393 409 HA GLN 77 HA GLN 77 -8.766 -5.523 5.065 410 HB2 GLN 77 1HB GLN 77 -11.579 -4.687 4.381 411 HB3 GLN 77 2HB GLN 77 -10.524 -5.447 3.199 412 HG2 GLN 77 1HG GLN 77 -11.077 -7.441 3.969 413 HG3 GLN 77 2HG GLN 77 -10.463 -7.012 5.564 414 HE21 GLN 77 2HE2 GLN 77 -13.060 -8.191 4.055 415 HE22 GLN 77 1HE2 GLN 77 -14.310 -7.651 5.116 416 H ILE 78 H ILE 78 -8.235 -4.912 2.776 417 HA ILE 78 HA ILE 78 -8.228 -2.013 2.334 418 HB ILE 78 HB ILE 78 -6.068 -2.489 3.368 419 HG12 ILE 78 1HG1 ILE 78 -4.856 -2.050 0.851 420 HG13 ILE 78 2HG1 ILE 78 -6.466 -1.343 0.764 421 HG21 ILE 78 1HG2 ILE 78 -4.406 -3.877 2.073 422 HG22 ILE 78 2HG2 ILE 78 -5.776 -4.502 1.154 423 HG23 ILE 78 3HG2 ILE 78 -5.685 -4.772 2.894 424 HD11 ILE 78 3HD1 ILE 78 -4.650 -0.775 3.068 425 HD12 ILE 78 1HD1 ILE 78 -6.034 0.149 2.491 426 HD13 ILE 78 2HD1 ILE 78 -4.538 0.127 1.557 427 H VAL 79 H VAL 79 -8.650 -1.447 0.290 428 HA VAL 79 HA VAL 79 -8.244 -3.422 -1.831 429 HB VAL 79 HB VAL 79 -10.484 -3.845 -1.605 430 HG11 VAL 79 1HG1 VAL 79 -10.601 -1.882 0.143 431 HG12 VAL 79 2HG1 VAL 79 -12.054 -2.580 -0.570 432 HG13 VAL 79 3HG1 VAL 79 -11.409 -1.059 -1.192 433 HG21 VAL 79 3HG2 VAL 79 -11.762 -2.597 -3.316 434 HG22 VAL 79 1HG2 VAL 79 -10.170 -3.107 -3.880 435 HG23 VAL 79 2HG2 VAL 79 -10.443 -1.428 -3.411 436 H PHE 80 H PHE 80 -7.332 -2.647 -3.547 437 HA PHE 80 HA PHE 80 -6.877 0.222 -3.796 438 HB2 PHE 80 1HB PHE 80 -5.685 -2.261 -4.977 439 HB3 PHE 80 2HB PHE 80 -5.488 -0.744 -5.836 440 HD1 PHE 80 HD1 PHE 80 -4.990 -2.265 -2.478 441 HD2 PHE 80 HD2 PHE 80 -3.717 0.642 -5.312 442 HE1 PHE 80 HE1 PHE 80 -3.063 -1.724 -1.049 443 HE2 PHE 80 HE2 PHE 80 -1.785 1.193 -3.886 444 HZ PHE 80 HZ PHE 80 -1.457 0.006 -1.753 445 HA PRO 81 HA PRO 81 -10.495 0.052 -6.577 446 HB2 PRO 81 1HB PRO 81 -10.726 2.761 -6.840 447 HB3 PRO 81 2HB PRO 81 -11.405 1.840 -5.494 448 HG2 PRO 81 1HG PRO 81 -8.875 3.422 -5.622 449 HG3 PRO 81 2HG PRO 81 -10.064 3.318 -4.313 450 HD2 PRO 81 1HD PRO 81 -7.725 1.970 -4.262 451 HD3 PRO 81 2HD PRO 81 -9.208 1.325 -3.530 452 H ASP 82 H ASP 82 -7.353 1.344 -7.105 453 HA ASP 82 HA ASP 82 -7.937 1.856 -9.931 454 HB2 ASP 82 1HB ASP 82 -5.575 2.579 -8.194 455 HB3 ASP 82 2HB ASP 82 -5.602 2.817 -9.941 456 H PHE 83 H PHE 83 -6.731 -0.612 -7.965 457 HA PHE 83 HA PHE 83 -5.294 -1.801 -10.253 458 HB2 PHE 83 1HB PHE 83 -4.721 -1.940 -7.304 459 HB3 PHE 83 2HB PHE 83 -4.115 -3.173 -8.404 460 HD1 PHE 83 HD1 PHE 83 -3.944 0.384 -7.487 461 HD2 PHE 83 HD2 PHE 83 -2.315 -2.718 -9.903 462 HE1 PHE 83 HE1 PHE 83 -2.029 1.821 -8.032 463 HE2 PHE 83 HE2 PHE 83 -0.393 -1.283 -10.454 464 HZ PHE 83 HZ PHE 83 -0.252 0.992 -9.517 465 H GLY 84 H GLY 84 -7.787 -2.218 -7.878 466 HA2 GLY 84 1HA GLY 84 -9.553 -3.757 -8.010 467 HA3 GLY 84 2HA GLY 84 -8.632 -4.685 -9.184 468 H VAL 85 H VAL 85 -6.591 -3.974 -6.723 469 HA VAL 85 HA VAL 85 -6.638 -6.678 -5.723 470 HB VAL 85 HB VAL 85 -4.846 -4.316 -5.168 471 HG11 VAL 85 1HG1 VAL 85 -4.147 -5.302 -3.315 472 HG12 VAL 85 2HG1 VAL 85 -3.587 -6.660 -4.294 473 HG13 VAL 85 3HG1 VAL 85 -5.207 -6.685 -3.595 474 HG21 VAL 85 3HG2 VAL 85 -3.177 -5.809 -6.321 475 HG22 VAL 85 1HG2 VAL 85 -4.473 -5.180 -7.339 476 HG23 VAL 85 2HG2 VAL 85 -4.533 -6.847 -6.762 477 H HIS 86 H HIS 86 -7.894 -7.278 -4.086 478 HA HIS 86 HA HIS 86 -8.275 -5.408 -1.855 479 HB2 HIS 86 1HB HIS 86 -10.634 -6.268 -1.631 480 HB3 HIS 86 2HB HIS 86 -10.337 -5.249 -3.031 481 HD1 HIS 86 HD1 HIS 86 -9.793 -6.820 -5.329 482 HD2 HIS 86 HD2 HIS 86 -12.059 -8.442 -2.238 483 HE1 HIS 86 HE1 HIS 86 -11.050 -8.742 -6.349 484 H ALA 87 H ALA 87 -7.614 -6.235 -0.008 485 HA ALA 87 HA ALA 87 -7.905 -9.115 0.486 486 HB1 ALA 87 3HB ALA 87 -5.365 -8.125 1.491 487 HB2 ALA 87 1HB ALA 87 -5.479 -8.030 -0.267 488 HB3 ALA 87 2HB ALA 87 -5.723 -9.574 0.550 489 H ASN 88 H ASN 88 -7.174 -9.606 2.835 490 HA ASN 88 HA ASN 88 -8.365 -7.547 4.566 491 HB2 ASN 88 1HB ASN 88 -8.707 -9.473 6.172 492 HB3 ASN 88 2HB ASN 88 -9.641 -9.560 4.685 493 HD21 ASN 88 2HD2 ASN 88 -7.624 -11.219 6.741 494 HD22 ASN 88 1HD2 ASN 88 -7.205 -12.531 5.700 495 H LEU 89 H LEU 89 -7.360 -6.943 6.499 496 HA LEU 89 HA LEU 89 -4.497 -7.606 6.602 497 HB2 LEU 89 1HB LEU 89 -5.903 -5.305 7.951 498 HB3 LEU 89 2HB LEU 89 -4.173 -5.552 7.812 499 HG LEU 89 HG LEU 89 -5.999 -5.066 5.460 500 HD11 LEU 89 1HD1 LEU 89 -4.688 -2.832 5.494 501 HD12 LEU 89 2HD1 LEU 89 -4.443 -3.202 7.201 502 HD13 LEU 89 3HD1 LEU 89 -6.077 -3.036 6.561 503 HD21 LEU 89 3HD2 LEU 89 -3.039 -5.382 5.795 504 HD22 LEU 89 1HD2 LEU 89 -3.711 -4.458 4.450 505 HD23 LEU 89 2HD2 LEU 89 -4.120 -6.164 4.640 506 HA PRO 90 HA PRO 90 -5.374 -9.787 10.390 507 HB2 PRO 90 1HB PRO 90 -2.864 -10.616 10.905 508 HB3 PRO 90 2HB PRO 90 -3.836 -11.314 9.606 509 HG2 PRO 90 1HG PRO 90 -1.617 -9.331 9.456 510 HG3 PRO 90 2HG PRO 90 -2.025 -10.647 8.344 511 HD2 PRO 90 1HD PRO 90 -2.655 -7.970 7.967 512 HD3 PRO 90 2HD PRO 90 -3.448 -9.333 7.155 513 H MET 91 H MET 91 -5.683 -8.910 12.340 514 HA MET 91 HA MET 91 -4.493 -6.497 13.167 515 HB2 MET 91 1HB MET 91 -6.700 -7.162 13.929 516 HB3 MET 91 2HB MET 91 -6.025 -8.557 14.759 517 HG2 MET 91 1HG MET 91 -6.582 -6.694 16.268 518 HG3 MET 91 2HG MET 91 -4.884 -7.153 16.321 519 HE1 MET 91 3HE MET 91 -4.034 -3.529 16.840 520 HE2 MET 91 1HE MET 91 -3.478 -5.194 17.010 521 HE3 MET 91 2HE MET 91 -5.015 -4.701 17.719 522 H GLY 92 H GLY 92 -2.615 -6.083 14.092 523 HA2 GLY 92 1HA GLY 92 -0.825 -6.335 15.563 524 HA3 GLY 92 2HA GLY 92 -1.401 -7.947 15.951 525 H GLU 93 H GLU 93 -1.305 -7.676 12.638 526 HA GLU 93 HA GLU 93 1.485 -8.597 12.478 527 HB2 GLU 93 1HB GLU 93 -0.888 -9.919 11.152 528 HB3 GLU 93 2HB GLU 93 0.792 -10.356 10.883 529 HG2 GLU 93 1HG GLU 93 1.005 -11.008 13.221 530 HG3 GLU 93 2HG GLU 93 -0.673 -10.545 13.506 531 H GLU 94 H GLU 94 2.043 -8.873 9.988 532 HA GLU 94 HA GLU 94 1.157 -6.388 8.675 533 HB2 GLU 94 1HB GLU 94 3.811 -7.800 8.674 534 HB3 GLU 94 2HB GLU 94 3.398 -6.617 7.445 535 HG2 GLU 94 1HG GLU 94 4.053 -4.996 8.792 536 HG3 GLU 94 2HG GLU 94 2.807 -5.458 9.951 537 H TYR 95 H TYR 95 0.381 -6.435 6.659 538 HA TYR 95 HA TYR 95 0.456 -9.001 5.196 539 HB2 TYR 95 1HB TYR 95 -1.818 -8.115 6.155 540 HB3 TYR 95 2HB TYR 95 -1.758 -7.009 4.787 541 HD1 TYR 95 HD1 TYR 95 -1.893 -10.574 5.751 542 HD2 TYR 95 HD2 TYR 95 -2.239 -7.758 2.581 543 HE1 TYR 95 HE1 TYR 95 -2.822 -12.329 4.303 544 HE2 TYR 95 HE2 TYR 95 -3.168 -9.505 1.122 545 HH TYR 95 HH TYR 95 -3.405 -11.778 0.892 546 H VAL 96 H VAL 96 1.454 -8.909 3.270 547 HA VAL 96 HA VAL 96 2.075 -6.256 2.212 548 HB VAL 96 HB VAL 96 3.855 -8.082 2.701 549 HG11 VAL 96 1HG1 VAL 96 4.021 -9.883 1.405 550 HG12 VAL 96 2HG1 VAL 96 3.805 -8.932 -0.067 551 HG13 VAL 96 3HG1 VAL 96 2.398 -9.502 0.829 552 HG21 VAL 96 3HG2 VAL 96 4.598 -6.072 1.809 553 HG22 VAL 96 1HG2 VAL 96 3.714 -6.303 0.300 554 HG23 VAL 96 2HG2 VAL 96 5.152 -7.267 0.636 555 H VAL 97 H VAL 97 1.514 -5.533 0.269 556 HA VAL 97 HA VAL 97 -0.184 -7.264 -1.416 557 HB VAL 97 HB VAL 97 -0.289 -4.280 -0.944 558 HG11 VAL 97 1HG1 VAL 97 -2.051 -4.152 -2.629 559 HG12 VAL 97 2HG1 VAL 97 -1.816 -5.856 -3.017 560 HG13 VAL 97 3HG1 VAL 97 -0.534 -4.692 -3.346 561 HG21 VAL 97 3HG2 VAL 97 -1.503 -5.425 0.713 562 HG22 VAL 97 1HG2 VAL 97 -2.179 -6.562 -0.453 563 HG23 VAL 97 2HG2 VAL 97 -2.707 -4.879 -0.454 564 H GLU 98 H GLU 98 0.951 -7.949 -3.124 565 HA GLU 98 HA GLU 98 3.087 -6.279 -4.214 566 HB2 GLU 98 1HB GLU 98 2.391 -9.166 -4.343 567 HB3 GLU 98 2HB GLU 98 3.246 -8.485 -5.719 568 HG2 GLU 98 1HG GLU 98 5.141 -8.016 -4.485 569 HG3 GLU 98 2HG GLU 98 4.263 -8.008 -2.955 570 H ILE 99 H ILE 99 2.673 -4.930 -5.821 571 HA ILE 99 HA ILE 99 0.750 -5.735 -7.905 572 HB ILE 99 HB ILE 99 0.339 -3.121 -8.033 573 HG12 ILE 99 1HG1 ILE 99 0.775 -3.544 -5.068 574 HG13 ILE 99 2HG1 ILE 99 1.898 -2.683 -6.114 575 HG21 ILE 99 1HG2 ILE 99 -1.669 -3.464 -6.584 576 HG22 ILE 99 2HG2 ILE 99 -1.014 -5.043 -6.154 577 HG23 ILE 99 3HG2 ILE 99 -1.438 -4.691 -7.829 578 HD11 ILE 99 3HD1 ILE 99 -0.629 -1.532 -6.540 579 HD12 ILE 99 1HD1 ILE 99 0.769 -0.828 -5.724 580 HD13 ILE 99 2HD1 ILE 99 -0.438 -1.720 -4.795 581 H THR 100 H THR 100 1.059 -4.664 -9.969 582 HA THR 100 HA THR 100 3.831 -3.733 -10.350 583 HB THR 100 HB THR 100 2.280 -5.187 -12.479 584 HG1 THR 100 HG1 THR 100 3.249 -7.094 -11.776 585 HG21 THR 100 3HG2 THR 100 4.329 -3.830 -13.039 586 HG22 THR 100 1HG2 THR 100 4.415 -5.535 -13.486 587 HG23 THR 100 2HG2 THR 100 5.256 -4.956 -12.048 588 HA PRO 101 HA PRO 101 1.289 -0.231 -11.834 589 HB2 PRO 101 1HB PRO 101 3.198 1.643 -11.428 590 HB3 PRO 101 2HB PRO 101 2.181 1.030 -10.120 591 HG2 PRO 101 1HG PRO 101 4.970 0.231 -10.877 592 HG3 PRO 101 2HG PRO 101 4.315 0.581 -9.268 593 HD2 PRO 101 1HD PRO 101 4.633 -1.938 -10.169 594 HD3 PRO 101 2HD PRO 101 3.289 -1.485 -9.099 595 H GLU 102 H GLU 102 1.229 -0.769 -14.024 596 HA GLU 102 HA GLU 102 3.660 -0.440 -15.609 597 HB2 GLU 102 1HB GLU 102 0.921 -1.478 -16.338 598 HB3 GLU 102 2HB GLU 102 2.260 -1.352 -17.470 599 HG2 GLU 102 1HG GLU 102 3.170 -3.249 -16.749 600 HG3 GLU 102 2HG GLU 102 3.010 -2.772 -15.061 601 H GLN 103 H GLN 103 1.461 1.644 -14.497 602 HA GLN 103 HA GLN 103 1.681 3.365 -16.867 603 HB2 GLN 103 1HB GLN 103 -0.677 2.300 -16.326 604 HB3 GLN 103 2HB GLN 103 -0.732 3.584 -15.123 605 HG2 GLN 103 1HG GLN 103 0.091 4.868 -17.429 606 HG3 GLN 103 2HG GLN 103 -1.117 3.711 -17.986 607 HE21 GLN 103 2HE2 GLN 103 -0.544 6.634 -16.291 608 HE22 GLN 103 1HE2 GLN 103 -2.192 7.004 -15.935 609 H ALA 104 H ALA 104 2.298 5.419 -16.465 610 HA ALA 104 HA ALA 104 3.019 6.079 -13.726 611 HB1 ALA 104 3HB ALA 104 3.683 8.195 -15.492 612 HB2 ALA 104 1HB ALA 104 4.086 6.676 -16.293 613 HB3 ALA 104 2HB ALA 104 4.762 7.040 -14.705 614 H GLY 105 H GLY 105 1.827 7.326 -12.457 615 HA2 GLY 105 1HA GLY 105 0.608 9.715 -13.086 616 HA3 GLY 105 2HA GLY 105 -0.614 8.489 -13.382 617 H GLU 106 H GLU 106 -1.836 9.552 -11.710 618 HA GLU 106 HA GLU 106 -0.838 9.155 -8.984 619 HB2 GLU 106 1HB GLU 106 -2.486 11.144 -10.259 620 HB3 GLU 106 2HB GLU 106 -3.343 10.433 -8.899 621 HG2 GLU 106 1HG GLU 106 -1.572 11.016 -7.397 622 HG3 GLU 106 2HG GLU 106 -0.560 11.563 -8.732 623 H PHE 107 H PHE 107 -1.538 7.567 -7.764 624 HA PHE 107 HA PHE 107 -4.063 6.197 -8.462 625 HB2 PHE 107 1HB PHE 107 -1.454 5.040 -7.455 626 HB3 PHE 107 2HB PHE 107 -2.955 4.127 -7.507 627 HD1 PHE 107 HD1 PHE 107 -0.282 5.648 -9.488 628 HD2 PHE 107 HD2 PHE 107 -3.862 3.366 -9.599 629 HE1 PHE 107 HE1 PHE 107 0.192 5.027 -11.822 630 HE2 PHE 107 HE2 PHE 107 -3.400 2.734 -11.932 631 HZ PHE 107 HZ PHE 107 -1.368 3.568 -13.046 632 H SER 108 H SER 108 -5.049 5.036 -6.510 633 HA SER 108 HA SER 108 -4.259 6.131 -3.937 634 HB2 SER 108 1HB SER 108 -6.297 7.392 -5.429 635 HB3 SER 108 2HB SER 108 -7.100 6.511 -4.129 636 HG SER 108 HG SER 108 -5.289 7.555 -2.803 637 H PHE 109 H PHE 109 -5.331 5.186 -2.126 638 HA PHE 109 HA PHE 109 -6.947 2.804 -2.632 639 HB2 PHE 109 1HB PHE 109 -5.535 1.475 -1.029 640 HB3 PHE 109 2HB PHE 109 -4.769 1.826 -2.572 641 HD1 PHE 109 HD2 PHE 109 -2.957 3.505 -2.694 642 HD2 PHE 109 HD1 PHE 109 -4.641 2.284 1.019 643 HE1 PHE 109 HE2 PHE 109 -1.005 4.420 -1.511 644 HE2 PHE 109 HE1 PHE 109 -2.688 3.194 2.206 645 HZ PHE 109 HZ PHE 109 -0.867 4.264 0.941 646 H ALA 110 H ALA 110 -8.394 2.308 -1.027 647 HA ALA 110 HA ALA 110 -8.227 3.440 1.607 648 HB1 ALA 110 3HB ALA 110 -9.898 4.741 -0.468 649 HB2 ALA 110 1HB ALA 110 -9.080 5.438 0.930 650 HB3 ALA 110 2HB ALA 110 -10.597 4.565 1.141 651 H CYS 111 H CYS 111 -10.514 3.112 2.732 652 HA CYS 111 HA CYS 111 -11.865 0.731 1.705 653 HB2 CYS 111 1HB CYS 111 -10.026 -0.059 3.194 654 HB3 CYS 111 2HB CYS 111 -10.755 0.847 4.516 655 HG CYS 111 HG CYS 111 -12.962 -1.172 3.087 656 H GLY 112 H GLY 112 -13.999 0.865 1.952 657 HA2 GLY 112 1HA GLY 112 -16.064 1.433 2.806 658 HA3 GLY 112 2HA GLY 112 -15.252 1.995 4.258 659 H MET 113 H MET 113 -16.336 3.890 4.536 660 HA MET 113 HA MET 113 -15.874 5.950 2.487 661 HB2 MET 113 1HB MET 113 -18.364 4.894 3.081 662 HB3 MET 113 2HB MET 113 -18.311 6.364 4.044 663 HG2 MET 113 1HG MET 113 -17.552 6.432 1.157 664 HG3 MET 113 2HG MET 113 -19.247 6.443 1.637 665 HE1 MET 113 3HE MET 113 -15.911 8.376 1.429 666 HE2 MET 113 1HE MET 113 -16.617 9.981 1.232 667 HE3 MET 113 2HE MET 113 -17.069 8.678 0.134 668 H ASN 114 H ASN 114 -14.353 7.172 3.432 669 HA ASN 114 HA ASN 114 -15.028 8.720 5.745 670 HB2 ASN 114 1HB ASN 114 -13.715 6.287 6.238 671 HB3 ASN 114 2HB ASN 114 -12.471 7.526 6.374 672 HD21 ASN 114 2HD2 ASN 114 -15.849 7.008 7.333 673 HD22 ASN 114 1HD2 ASN 114 -15.658 7.639 8.933 674 H MET 115 H MET 115 -12.862 9.965 6.452 675 HA MET 115 HA MET 115 -11.973 11.286 4.041 676 HB2 MET 115 1HB MET 115 -10.749 12.778 5.695 677 HB3 MET 115 2HB MET 115 -12.503 12.757 5.808 678 HG2 MET 115 1HG MET 115 -11.143 10.802 7.518 679 HG3 MET 115 2HG MET 115 -10.807 12.489 7.904 680 HE1 MET 115 3HE MET 115 -12.099 10.571 9.963 681 HE2 MET 115 1HE MET 115 -13.485 11.469 10.583 682 HE3 MET 115 2HE MET 115 -11.942 12.288 10.335 683 H MET 116 H MET 116 -10.657 9.039 6.360 684 HA MET 116 HA MET 116 -7.915 9.418 5.746 685 HB2 MET 116 1HB MET 116 -7.757 7.008 6.706 686 HB3 MET 116 2HB MET 116 -8.235 8.324 7.767 687 HG2 MET 116 1HG MET 116 -10.327 7.526 8.042 688 HG3 MET 116 2HG MET 116 -10.421 6.899 6.398 689 HE1 MET 116 3HE MET 116 -8.282 4.248 6.127 690 HE2 MET 116 1HE MET 116 -9.794 4.960 5.563 691 HE3 MET 116 2HE MET 116 -9.816 3.444 6.463 692 H HIS 117 H HIS 117 -6.937 9.010 3.901 693 HA HIS 117 HA HIS 117 -7.444 6.541 2.473 694 HB2 HIS 117 1HB HIS 117 -7.933 7.579 0.335 695 HB3 HIS 117 2HB HIS 117 -9.114 8.111 1.523 696 HD1 HIS 117 HD1 HIS 117 -8.628 10.611 2.536 697 HD2 HIS 117 HD2 HIS 117 -6.714 9.593 -1.021 698 HE1 HIS 117 HE1 HIS 117 -7.885 12.786 1.515 699 H GLY 118 H GLY 118 -5.831 6.108 0.799 700 HA2 GLY 118 1HA GLY 118 -3.330 7.590 1.348 701 HA3 GLY 118 2HA GLY 118 -3.397 5.871 0.983 702 H LYS 119 H LYS 119 -1.920 8.051 -0.334 703 HA LYS 119 HA LYS 119 -3.065 7.754 -3.037 704 HB2 LYS 119 1HB LYS 119 -2.907 10.108 -1.870 705 HB3 LYS 119 2HB LYS 119 -1.223 10.008 -2.362 706 HG2 LYS 119 1HG LYS 119 -2.169 9.491 -4.702 707 HG3 LYS 119 2HG LYS 119 -3.680 10.141 -4.062 708 HD2 LYS 119 1HD LYS 119 -1.195 11.725 -3.656 709 HD3 LYS 119 2HD LYS 119 -1.893 11.681 -5.276 710 HE2 LYS 119 1HE LYS 119 -3.641 12.260 -2.923 711 HE3 LYS 119 2HE LYS 119 -2.616 13.534 -3.583 712 HZ1 LYS 119 3HZ LYS 119 -4.671 13.725 -4.669 713 HZ2 LYS 119 1HZ LYS 119 -4.793 12.060 -4.946 714 HZ3 LYS 119 2HZ LYS 119 -3.653 12.980 -5.807 715 H MET 120 H MET 120 -1.666 7.326 -4.737 716 HA MET 120 HA MET 120 1.129 6.720 -4.020 717 HB2 MET 120 1HB MET 120 -0.172 4.629 -4.082 718 HB3 MET 120 2HB MET 120 -0.685 4.998 -5.717 719 HG2 MET 120 1HG MET 120 2.057 5.150 -5.871 720 HG3 MET 120 2HG MET 120 1.781 3.808 -4.763 721 HE1 MET 120 3HE MET 120 0.170 1.098 -6.786 722 HE2 MET 120 1HE MET 120 -0.752 2.195 -5.757 723 HE3 MET 120 2HE MET 120 0.853 1.659 -5.259 724 H ILE 121 H ILE 121 2.638 7.384 -5.468 725 HA ILE 121 HA ILE 121 1.635 8.442 -8.037 726 HB ILE 121 HB ILE 121 3.902 9.532 -6.354 727 HG12 ILE 121 1HG1 ILE 121 2.210 11.607 -6.818 728 HG13 ILE 121 2HG1 ILE 121 1.066 10.271 -6.759 729 HG21 ILE 121 1HG2 ILE 121 4.043 11.296 -8.097 730 HG22 ILE 121 2HG2 ILE 121 2.922 10.358 -9.086 731 HG23 ILE 121 3HG2 ILE 121 4.506 9.697 -8.681 732 HD11 ILE 121 3HD1 ILE 121 3.095 10.756 -4.604 733 HD12 ILE 121 1HD1 ILE 121 1.657 9.734 -4.550 734 HD13 ILE 121 2HD1 ILE 121 1.491 11.490 -4.600 735 H VAL 122 H VAL 122 2.324 7.327 -9.720 736 HA VAL 122 HA VAL 122 4.765 5.718 -9.464 737 HB VAL 122 HB VAL 122 2.562 5.571 -11.530 738 HG11 VAL 122 1HG1 VAL 122 4.972 4.869 -12.169 739 HG12 VAL 122 2HG1 VAL 122 3.638 3.769 -12.517 740 HG13 VAL 122 3HG1 VAL 122 4.671 3.487 -11.115 741 HG21 VAL 122 3HG2 VAL 122 1.780 3.646 -10.411 742 HG22 VAL 122 1HG2 VAL 122 2.033 4.858 -9.156 743 HG23 VAL 122 2HG2 VAL 122 3.212 3.565 -9.386 744 H GLU 123 H GLU 123 6.582 6.332 -10.409 745 HA GLU 123 HA GLU 123 6.520 8.547 -12.319 746 HB2 GLU 123 1HB GLU 123 8.388 7.583 -10.316 747 HB3 GLU 123 2HB GLU 123 9.185 7.870 -11.857 748 HG2 GLU 123 1HG GLU 123 8.305 10.149 -11.888 749 HG3 GLU 123 2HG GLU 123 7.512 9.861 -10.340 Start of MODEL 6 1 HA2 GLY 26 1HA GLY 26 9.805 14.755 5.060 2 HA3 GLY 26 2HA GLY 26 9.521 15.159 6.748 3 H ALA 27 H ALA 27 6.919 16.345 5.347 4 HA ALA 27 HA ALA 27 5.382 13.840 5.631 5 HB1 ALA 27 3HB ALA 27 3.493 15.181 6.329 6 HB2 ALA 27 1HB ALA 27 4.408 16.663 6.046 7 HB3 ALA 27 2HB ALA 27 4.897 15.557 7.329 8 H MET 28 H MET 28 6.586 15.727 3.284 9 HA MET 28 HA MET 28 4.241 15.988 1.609 10 HB2 MET 28 1HB MET 28 7.078 16.807 1.474 11 HB3 MET 28 2HB MET 28 6.306 16.481 -0.071 12 HG2 MET 28 1HG MET 28 4.544 18.088 0.471 13 HG3 MET 28 2HG MET 28 5.328 18.418 2.015 14 HE1 MET 28 3HE MET 28 8.353 20.516 1.208 15 HE2 MET 28 1HE MET 28 7.937 19.038 2.076 16 HE3 MET 28 2HE MET 28 6.943 20.483 2.266 17 H GLY 29 H GLY 29 4.297 13.403 2.206 18 HA2 GLY 29 1HA GLY 29 3.888 11.492 0.890 19 HA3 GLY 29 2HA GLY 29 4.915 12.157 -0.368 20 H GLN 30 H GLN 30 5.038 9.500 0.478 21 HA GLN 30 HA GLN 30 7.701 9.444 1.754 22 HB2 GLN 30 1HB GLN 30 5.356 7.596 2.142 23 HB3 GLN 30 2HB GLN 30 6.998 7.099 2.530 24 HG2 GLN 30 1HG GLN 30 6.643 9.597 3.750 25 HG3 GLN 30 2HG GLN 30 5.166 8.685 4.060 26 HE21 GLN 30 2HE2 GLN 30 8.020 9.420 5.352 27 HE22 GLN 30 1HE2 GLN 30 8.317 8.003 6.292 28 H LYS 31 H LYS 31 9.268 8.486 0.630 29 HA LYS 31 HA LYS 31 8.595 7.226 -1.905 30 HB2 LYS 31 1HB LYS 31 10.784 8.775 -0.928 31 HB3 LYS 31 2HB LYS 31 11.398 7.218 -1.471 32 HG2 LYS 31 1HG LYS 31 10.539 7.534 -3.647 33 HG3 LYS 31 2HG LYS 31 9.584 8.927 -3.143 34 HD2 LYS 31 1HD LYS 31 11.407 9.900 -4.208 35 HD3 LYS 31 2HD LYS 31 11.869 9.961 -2.504 36 HE2 LYS 31 1HE LYS 31 13.075 7.792 -2.864 37 HE3 LYS 31 2HE LYS 31 12.773 7.987 -4.590 38 HZ1 LYS 31 3HZ LYS 31 14.890 9.007 -3.166 39 HZ2 LYS 31 1HZ LYS 31 13.899 10.345 -3.466 40 HZ3 LYS 31 2HZ LYS 31 14.459 9.399 -4.753 41 H ALA 32 H ALA 32 8.661 5.115 -2.273 42 HA ALA 32 HA ALA 32 9.080 3.294 -0.113 43 HB1 ALA 32 3HB ALA 32 8.613 1.550 -1.811 44 HB2 ALA 32 1HB ALA 32 8.577 2.810 -3.044 45 HB3 ALA 32 2HB ALA 32 7.384 2.816 -1.743 46 H GLN 33 H GLN 33 10.627 1.641 0.071 47 HA GLN 33 HA GLN 33 13.255 2.418 -0.769 48 HB2 GLN 33 1HB GLN 33 14.063 0.627 0.588 49 HB3 GLN 33 2HB GLN 33 12.734 1.376 1.454 50 HG2 GLN 33 1HG GLN 33 11.286 -0.475 0.435 51 HG3 GLN 33 2HG GLN 33 12.812 -1.273 0.064 52 HE21 GLN 33 2HE2 GLN 33 11.389 0.453 2.825 53 HE22 GLN 33 1HE2 GLN 33 11.823 -0.733 4.002 54 H GLN 34 H GLN 34 14.554 1.532 -2.291 55 HA GLN 34 HA GLN 34 13.260 -0.273 -4.198 56 HB2 GLN 34 1HB GLN 34 15.753 1.420 -4.462 57 HB3 GLN 34 2HB GLN 34 15.079 0.413 -5.737 58 HG2 GLN 34 1HG GLN 34 13.874 2.150 -6.385 59 HG3 GLN 34 2HG GLN 34 12.967 2.020 -4.879 60 HE21 GLN 34 2HE2 GLN 34 12.961 3.742 -3.607 61 HE22 GLN 34 1HE2 GLN 34 14.104 5.037 -3.664 62 H LYS 35 H LYS 35 13.640 -2.361 -3.949 63 HA LYS 35 HA LYS 35 16.125 -3.251 -2.691 64 HB2 LYS 35 1HB LYS 35 13.824 -5.022 -3.477 65 HB3 LYS 35 2HB LYS 35 15.046 -5.304 -2.248 66 HG2 LYS 35 1HG LYS 35 13.371 -2.921 -1.836 67 HG3 LYS 35 2HG LYS 35 12.534 -4.469 -1.734 68 HD2 LYS 35 1HD LYS 35 15.085 -4.452 -0.321 69 HD3 LYS 35 2HD LYS 35 13.950 -3.253 0.294 70 HE2 LYS 35 1HE LYS 35 12.363 -5.466 -0.017 71 HE3 LYS 35 2HE LYS 35 13.897 -6.168 0.494 72 HZ1 LYS 35 3HZ LYS 35 12.033 -5.187 2.161 73 HZ2 LYS 35 1HZ LYS 35 13.068 -3.841 2.014 74 HZ3 LYS 35 2HZ LYS 35 13.678 -5.336 2.546 75 H ASN 36 H ASN 36 16.019 -5.906 -3.855 76 HA ASN 36 HA ASN 36 17.556 -5.349 -6.232 77 HB2 ASN 36 1HB ASN 36 17.691 -7.279 -4.279 78 HB3 ASN 36 2HB ASN 36 17.017 -8.167 -5.641 79 HD21 ASN 36 2HD2 ASN 36 19.319 -9.076 -4.961 80 HD22 ASN 36 1HD2 ASN 36 20.598 -8.529 -5.985 81 H GLY 37 H GLY 37 15.776 -4.507 -7.538 82 HA2 GLY 37 1HA GLY 37 14.747 -5.057 -9.607 83 HA3 GLY 37 2HA GLY 37 14.514 -6.696 -9.029 84 H TYR 38 H TYR 38 13.490 -5.066 -6.466 85 HA TYR 38 HA TYR 38 10.859 -4.344 -7.520 86 HB2 TYR 38 1HB TYR 38 9.672 -5.734 -5.913 87 HB3 TYR 38 2HB TYR 38 10.712 -6.736 -6.915 88 HD1 TYR 38 HD2 TYR 38 12.950 -7.491 -5.921 89 HD2 TYR 38 HD1 TYR 38 9.818 -5.815 -3.578 90 HE1 TYR 38 HE2 TYR 38 13.940 -8.481 -3.900 91 HE2 TYR 38 HE1 TYR 38 10.800 -6.803 -1.551 92 HH TYR 38 HH TYR 38 12.497 -7.951 -0.698 93 H GLN 39 H GLN 39 9.472 -3.287 -5.839 94 HA GLN 39 HA GLN 39 11.181 -1.777 -3.964 95 HB2 GLN 39 1HB GLN 39 8.592 -0.574 -4.663 96 HB3 GLN 39 2HB GLN 39 10.178 0.166 -4.525 97 HG2 GLN 39 1HG GLN 39 10.401 -1.373 -6.793 98 HG3 GLN 39 2HG GLN 39 8.749 -0.761 -6.874 99 HE21 GLN 39 2HE2 GLN 39 12.013 -0.067 -7.362 100 HE22 GLN 39 1HE2 GLN 39 11.856 1.619 -7.698 101 H GLU 40 H GLU 40 10.242 -1.094 -1.959 102 HA GLU 40 HA GLU 40 7.836 -2.519 -1.090 103 HB2 GLU 40 1HB GLU 40 9.868 -3.949 -0.662 104 HB3 GLU 40 2HB GLU 40 10.427 -2.710 0.450 105 HG2 GLU 40 1HG GLU 40 7.974 -3.129 1.446 106 HG3 GLU 40 2HG GLU 40 8.286 -4.716 0.750 107 H ILE 41 H ILE 41 6.727 -1.515 0.570 108 HA ILE 41 HA ILE 41 7.979 0.766 1.906 109 HB ILE 41 HB ILE 41 6.979 1.944 0.130 110 HG12 ILE 41 1HG1 ILE 41 4.635 2.588 1.550 111 HG13 ILE 41 2HG1 ILE 41 5.819 2.125 2.764 112 HG21 ILE 41 1HG2 ILE 41 5.437 0.956 -1.118 113 HG22 ILE 41 2HG2 ILE 41 4.247 1.356 0.124 114 HG23 ILE 41 3HG2 ILE 41 5.074 -0.203 0.161 115 HD11 ILE 41 3HD1 ILE 41 7.401 3.752 1.701 116 HD12 ILE 41 1HD1 ILE 41 5.981 4.468 2.466 117 HD13 ILE 41 2HD1 ILE 41 6.051 4.306 0.710 118 H ARG 42 H ARG 42 7.489 0.861 3.996 119 HA ARG 42 HA ARG 42 5.528 -0.990 5.066 120 HB2 ARG 42 1HB ARG 42 8.002 -0.109 5.941 121 HB3 ARG 42 2HB ARG 42 6.875 0.725 7.000 122 HG2 ARG 42 1HG ARG 42 6.245 -1.169 8.050 123 HG3 ARG 42 2HG ARG 42 6.374 -2.151 6.588 124 HD2 ARG 42 1HD ARG 42 8.701 -1.129 8.213 125 HD3 ARG 42 2HD ARG 42 8.046 -2.764 8.293 126 HE ARG 42 HE ARG 42 8.614 -2.561 5.699 127 HH11 ARG 42 1HH1 ARG 42 10.500 -1.722 8.487 128 HH12 ARG 42 2HH1 ARG 42 12.010 -2.026 7.704 129 HH21 ARG 42 1HH2 ARG 42 10.582 -2.953 4.682 130 HH22 ARG 42 2HH2 ARG 42 12.059 -2.723 5.564 131 H VAL 43 H VAL 43 3.499 -0.317 5.054 132 HA VAL 43 HA VAL 43 2.887 2.488 5.684 133 HB VAL 43 HB VAL 43 1.059 0.349 4.557 134 HG11 VAL 43 1HG1 VAL 43 0.450 2.817 5.743 135 HG12 VAL 43 2HG1 VAL 43 -0.625 1.778 4.807 136 HG13 VAL 43 3HG1 VAL 43 0.288 3.057 4.002 137 HG21 VAL 43 3HG2 VAL 43 2.411 2.637 3.136 138 HG22 VAL 43 1HG2 VAL 43 1.343 1.432 2.419 139 HG23 VAL 43 2HG2 VAL 43 2.919 0.951 3.048 140 H GLU 44 H GLU 44 2.816 2.712 7.839 141 HA GLU 44 HA GLU 44 1.829 0.679 9.594 142 HB2 GLU 44 1HB GLU 44 3.578 2.370 10.216 143 HB3 GLU 44 2HB GLU 44 2.311 3.590 10.247 144 HG2 GLU 44 1HG GLU 44 2.248 3.081 12.431 145 HG3 GLU 44 2HG GLU 44 1.220 1.760 11.881 146 H VAL 45 H VAL 45 -0.191 0.223 10.003 147 HA VAL 45 HA VAL 45 -2.290 2.141 9.306 148 HB VAL 45 HB VAL 45 -2.314 -0.845 9.727 149 HG11 VAL 45 1HG1 VAL 45 -4.646 1.008 9.335 150 HG12 VAL 45 2HG1 VAL 45 -4.374 -0.123 10.661 151 HG13 VAL 45 3HG1 VAL 45 -4.716 -0.729 9.040 152 HG21 VAL 45 3HG2 VAL 45 -1.610 0.499 7.534 153 HG22 VAL 45 1HG2 VAL 45 -3.355 0.459 7.287 154 HG23 VAL 45 2HG2 VAL 45 -2.457 -1.048 7.474 155 H MET 46 H MET 46 -2.544 3.463 11.024 156 HA MET 46 HA MET 46 -3.649 2.272 13.448 157 HB2 MET 46 1HB MET 46 -2.299 4.069 14.764 158 HB3 MET 46 2HB MET 46 -1.515 2.564 14.315 159 HG2 MET 46 1HG MET 46 -0.629 3.779 12.286 160 HG3 MET 46 2HG MET 46 -1.204 5.262 13.044 161 HE1 MET 46 3HE MET 46 0.428 6.671 14.680 162 HE2 MET 46 1HE MET 46 1.001 5.767 16.081 163 HE3 MET 46 2HE MET 46 -0.697 5.687 15.615 164 H GLY 47 H GLY 47 -5.662 3.040 12.780 165 HA2 GLY 47 1HA GLY 47 -7.379 4.600 12.967 166 HA3 GLY 47 2HA GLY 47 -6.187 5.811 13.419 167 H GLY 48 H GLY 48 -5.003 4.390 10.759 168 HA2 GLY 48 1HA GLY 48 -6.368 5.120 8.524 169 HA3 GLY 48 2HA GLY 48 -5.600 6.615 9.050 170 H TYR 49 H TYR 49 -4.476 6.412 6.944 171 HA TYR 49 HA TYR 49 -2.347 4.396 6.927 172 HB2 TYR 49 1HB TYR 49 -3.123 6.355 4.753 173 HB3 TYR 49 2HB TYR 49 -2.009 5.003 4.592 174 HD1 TYR 49 HD2 TYR 49 -3.157 2.665 5.410 175 HD2 TYR 49 HD1 TYR 49 -5.212 6.048 3.848 176 HE1 TYR 49 HE2 TYR 49 -5.031 1.215 4.747 177 HE2 TYR 49 HE1 TYR 49 -7.090 4.607 3.183 178 HH TYR 49 HH TYR 49 -7.249 1.241 4.120 179 H THR 50 H THR 50 -0.306 4.909 7.487 180 HA THR 50 HA THR 50 0.320 7.492 8.457 181 HB THR 50 HB THR 50 2.117 5.134 7.893 182 HG1 THR 50 HG1 THR 50 0.761 4.768 9.627 183 HG21 THR 50 3HG2 THR 50 3.306 7.368 7.777 184 HG22 THR 50 1HG2 THR 50 3.898 6.250 9.009 185 HG23 THR 50 2HG2 THR 50 2.856 7.596 9.468 186 HA PRO 51 HA PRO 51 2.924 8.345 4.566 187 HB2 PRO 51 1HB PRO 51 3.114 6.539 2.569 188 HB3 PRO 51 2HB PRO 51 4.204 6.522 3.958 189 HG2 PRO 51 1HG PRO 51 1.787 4.842 3.428 190 HG3 PRO 51 2HG PRO 51 3.360 4.362 4.088 191 HD2 PRO 51 1HD PRO 51 1.170 4.799 5.642 192 HD3 PRO 51 2HD PRO 51 2.835 5.069 6.198 193 H GLU 52 H GLU 52 1.203 9.750 4.198 194 HA GLU 52 HA GLU 52 -1.259 9.220 3.086 195 HB2 GLU 52 1HB GLU 52 -1.171 11.637 2.263 196 HB3 GLU 52 2HB GLU 52 -0.965 11.365 3.986 197 HG2 GLU 52 1HG GLU 52 1.597 11.319 2.736 198 HG3 GLU 52 2HG GLU 52 0.726 12.760 2.213 199 H LEU 53 H LEU 53 1.751 9.940 1.352 200 HA LEU 53 HA LEU 53 0.486 8.883 -1.078 201 HB2 LEU 53 1HB LEU 53 2.502 10.809 -1.763 202 HB3 LEU 53 2HB LEU 53 0.824 10.737 -2.253 203 HG LEU 53 HG LEU 53 1.427 11.835 0.442 204 HD11 LEU 53 1HD1 LEU 53 2.924 13.261 -0.448 205 HD12 LEU 53 2HD1 LEU 53 1.486 14.084 -1.056 206 HD13 LEU 53 3HD1 LEU 53 2.375 12.973 -2.099 207 HD21 LEU 53 3HD2 LEU 53 -0.487 12.784 -1.681 208 HD22 LEU 53 1HD2 LEU 53 -0.519 13.130 0.047 209 HD23 LEU 53 2HD2 LEU 53 -0.886 11.505 -0.534 210 H ILE 54 H ILE 54 1.541 7.132 -1.740 211 HA ILE 54 HA ILE 54 4.347 6.782 -0.941 212 HB ILE 54 HB ILE 54 3.954 4.409 -1.871 213 HG12 ILE 54 1HG1 ILE 54 1.080 5.283 -1.504 214 HG13 ILE 54 2HG1 ILE 54 1.848 4.927 -3.048 215 HG21 ILE 54 1HG2 ILE 54 3.900 3.893 0.279 216 HG22 ILE 54 2HG2 ILE 54 2.231 4.450 0.421 217 HG23 ILE 54 3HG2 ILE 54 3.563 5.586 0.638 218 HD11 ILE 54 3HD1 ILE 54 0.625 3.152 -1.150 219 HD12 ILE 54 1HD1 ILE 54 2.291 2.672 -1.469 220 HD13 ILE 54 2HD1 ILE 54 1.151 2.841 -2.805 221 H VAL 55 H VAL 55 5.970 6.955 -2.341 222 HA VAL 55 HA VAL 55 5.314 7.319 -5.176 223 HB VAL 55 HB VAL 55 7.856 7.958 -3.672 224 HG11 VAL 55 1HG1 VAL 55 7.489 7.567 -6.434 225 HG12 VAL 55 2HG1 VAL 55 8.901 8.230 -5.608 226 HG13 VAL 55 3HG1 VAL 55 7.626 9.307 -6.182 227 HG21 VAL 55 3HG2 VAL 55 5.815 9.841 -4.837 228 HG22 VAL 55 1HG2 VAL 55 7.218 10.258 -3.852 229 HG23 VAL 55 2HG2 VAL 55 5.873 9.368 -3.138 230 H LEU 56 H LEU 56 5.774 5.855 -6.662 231 HA LEU 56 HA LEU 56 7.867 3.851 -6.149 232 HB2 LEU 56 1HB LEU 56 5.089 3.247 -7.167 233 HB3 LEU 56 2HB LEU 56 6.402 2.090 -7.075 234 HG LEU 56 HG LEU 56 5.657 3.455 -4.550 235 HD11 LEU 56 1HD1 LEU 56 3.770 2.028 -4.140 236 HD12 LEU 56 2HD1 LEU 56 3.958 1.258 -5.717 237 HD13 LEU 56 3HD1 LEU 56 3.479 2.952 -5.615 238 HD21 LEU 56 3HD2 LEU 56 6.523 1.594 -3.575 239 HD22 LEU 56 1HD2 LEU 56 7.398 1.533 -5.105 240 HD23 LEU 56 2HD2 LEU 56 5.971 0.525 -4.864 241 H LYS 57 H LYS 57 8.475 2.639 -8.162 242 HA LYS 57 HA LYS 57 8.610 4.503 -10.404 243 HB2 LYS 57 1HB LYS 57 10.344 2.531 -9.312 244 HB3 LYS 57 2HB LYS 57 9.961 2.048 -10.959 245 HG2 LYS 57 1HG LYS 57 10.598 4.390 -11.660 246 HG3 LYS 57 2HG LYS 57 11.237 4.603 -10.029 247 HD2 LYS 57 1HD LYS 57 12.881 2.957 -10.336 248 HD3 LYS 57 2HD LYS 57 12.069 2.290 -11.755 249 HE2 LYS 57 1HE LYS 57 12.595 4.296 -13.025 250 HE3 LYS 57 2HE LYS 57 13.343 5.021 -11.601 251 HZ1 LYS 57 3HZ LYS 57 15.143 3.612 -11.723 252 HZ2 LYS 57 1HZ LYS 57 14.814 3.871 -13.362 253 HZ3 LYS 57 2HZ LYS 57 14.320 2.436 -12.617 254 H LYS 58 H LYS 58 8.526 3.408 -12.671 255 HA LYS 58 HA LYS 58 6.004 1.910 -12.769 256 HB2 LYS 58 1HB LYS 58 6.251 4.120 -13.976 257 HB3 LYS 58 2HB LYS 58 7.369 3.308 -15.067 258 HG2 LYS 58 1HG LYS 58 5.583 1.710 -15.659 259 HG3 LYS 58 2HG LYS 58 4.470 2.617 -14.633 260 HD2 LYS 58 1HD LYS 58 3.983 3.745 -16.507 261 HD3 LYS 58 2HD LYS 58 5.505 4.588 -16.209 262 HE2 LYS 58 1HE LYS 58 6.151 3.885 -18.224 263 HE3 LYS 58 2HE LYS 58 6.273 2.274 -17.520 264 HZ1 LYS 58 3HZ LYS 58 4.914 1.972 -19.352 265 HZ2 LYS 58 1HZ LYS 58 4.079 3.425 -19.122 266 HZ3 LYS 58 2HZ LYS 58 3.783 2.108 -18.091 267 H SER 59 H SER 59 5.712 0.106 -14.045 268 HA SER 59 HA SER 59 6.182 -1.876 -15.034 269 HB2 SER 59 1HB SER 59 7.204 -0.533 -16.818 270 HB3 SER 59 2HB SER 59 8.736 -0.527 -15.943 271 HG SER 59 HG SER 59 8.549 -2.915 -16.079 272 H VAL 60 H VAL 60 7.240 -1.114 -12.298 273 HA VAL 60 HA VAL 60 9.135 -3.356 -12.042 274 HB VAL 60 HB VAL 60 10.156 -1.067 -11.688 275 HG11 VAL 60 1HG1 VAL 60 9.743 0.003 -9.499 276 HG12 VAL 60 2HG1 VAL 60 8.399 -1.111 -9.244 277 HG13 VAL 60 3HG1 VAL 60 8.345 0.049 -10.573 278 HG21 VAL 60 3HG2 VAL 60 10.216 -3.050 -9.424 279 HG22 VAL 60 1HG2 VAL 60 11.351 -1.714 -9.604 280 HG23 VAL 60 2HG2 VAL 60 11.288 -2.986 -10.823 281 HA PRO 61 HA PRO 61 6.056 -5.079 -9.316 282 HB2 PRO 61 1HB PRO 61 7.700 -6.802 -7.945 283 HB3 PRO 61 2HB PRO 61 7.019 -7.141 -9.539 284 HG2 PRO 61 1HG PRO 61 9.744 -6.150 -8.811 285 HG3 PRO 61 2HG PRO 61 9.271 -7.333 -10.047 286 HD2 PRO 61 1HD PRO 61 9.905 -4.785 -10.665 287 HD3 PRO 61 2HD PRO 61 8.675 -5.695 -11.564 288 H ALA 62 H ALA 62 5.275 -4.020 -7.599 289 HA ALA 62 HA ALA 62 7.171 -3.225 -5.480 290 HB1 ALA 62 3HB ALA 62 5.184 -1.419 -5.186 291 HB2 ALA 62 1HB ALA 62 5.159 -1.654 -6.934 292 HB3 ALA 62 2HB ALA 62 6.646 -1.143 -6.134 293 H ARG 63 H ARG 63 6.611 -3.628 -3.385 294 HA ARG 63 HA ARG 63 3.977 -4.867 -2.971 295 HB2 ARG 63 1HB ARG 63 4.902 -6.458 -1.465 296 HB3 ARG 63 2HB ARG 63 5.883 -6.486 -2.920 297 HG2 ARG 63 1HG ARG 63 7.395 -4.830 -1.589 298 HG3 ARG 63 2HG ARG 63 6.558 -5.513 -0.194 299 HD2 ARG 63 1HD ARG 63 7.159 -7.794 -1.239 300 HD3 ARG 63 2HD ARG 63 8.335 -6.880 -2.178 301 HE ARG 63 HE ARG 63 9.083 -6.089 0.156 302 HH11 ARG 63 1HH1 ARG 63 7.926 -9.268 -0.609 303 HH12 ARG 63 2HH1 ARG 63 8.811 -10.024 0.668 304 HH21 ARG 63 1HH2 ARG 63 10.224 -7.077 1.822 305 HH22 ARG 63 2HH2 ARG 63 10.105 -8.792 2.035 306 H ILE 64 H ILE 64 2.722 -3.997 -1.525 307 HA ILE 64 HA ILE 64 3.786 -1.873 0.197 308 HB ILE 64 HB ILE 64 0.866 -2.504 -0.101 309 HG12 ILE 64 1HG1 ILE 64 1.970 -2.301 -2.381 310 HG13 ILE 64 2HG1 ILE 64 0.666 -1.164 -2.058 311 HG21 ILE 64 1HG2 ILE 64 0.535 -0.230 0.488 312 HG22 ILE 64 2HG2 ILE 64 2.246 0.141 0.274 313 HG23 ILE 64 3HG2 ILE 64 1.728 -0.886 1.610 314 HD11 ILE 64 3HD1 ILE 64 3.242 -0.085 -1.298 315 HD12 ILE 64 1HD1 ILE 64 2.008 0.577 -2.371 316 HD13 ILE 64 2HD1 ILE 64 3.196 -0.567 -2.995 317 H VAL 65 H VAL 65 4.309 -2.403 2.222 318 HA VAL 65 HA VAL 65 3.124 -4.771 3.460 319 HB VAL 65 HB VAL 65 5.228 -3.022 4.717 320 HG11 VAL 65 1HG1 VAL 65 4.142 -4.741 6.105 321 HG12 VAL 65 2HG1 VAL 65 5.859 -5.064 5.864 322 HG13 VAL 65 3HG1 VAL 65 4.654 -5.976 4.953 323 HG21 VAL 65 3HG2 VAL 65 5.585 -4.121 2.240 324 HG22 VAL 65 1HG2 VAL 65 6.203 -5.390 3.300 325 HG23 VAL 65 2HG2 VAL 65 6.873 -3.762 3.388 326 H PHE 66 H PHE 66 1.254 -4.476 4.509 327 HA PHE 66 HA PHE 66 0.766 -1.927 5.866 328 HB2 PHE 66 1HB PHE 66 -1.048 -4.229 5.141 329 HB3 PHE 66 2HB PHE 66 -1.574 -2.878 6.146 330 HD1 PHE 66 HD2 PHE 66 -1.331 -0.527 5.158 331 HD2 PHE 66 HD1 PHE 66 -1.174 -4.085 2.830 332 HE1 PHE 66 HE2 PHE 66 -1.852 0.776 3.138 333 HE2 PHE 66 HE1 PHE 66 -1.694 -2.787 0.805 334 HZ PHE 66 HZ PHE 66 -2.033 -0.353 0.960 335 H ASP 67 H ASP 67 1.329 -1.749 7.903 336 HA ASP 67 HA ASP 67 1.405 -4.135 9.622 337 HB2 ASP 67 1HB ASP 67 3.360 -2.399 9.300 338 HB3 ASP 67 2HB ASP 67 2.437 -1.440 10.452 339 H ARG 68 H ARG 68 -0.561 -4.462 10.532 340 HA ARG 68 HA ARG 68 -2.311 -2.284 11.180 341 HB2 ARG 68 1HB ARG 68 -3.082 -4.557 10.437 342 HB3 ARG 68 2HB ARG 68 -2.613 -5.163 12.020 343 HG2 ARG 68 1HG ARG 68 -4.677 -4.664 12.681 344 HG3 ARG 68 2HG ARG 68 -4.183 -2.973 12.611 345 HD2 ARG 68 1HD ARG 68 -5.962 -2.815 11.229 346 HD3 ARG 68 2HD ARG 68 -4.794 -3.370 10.032 347 HE ARG 68 HE ARG 68 -5.766 -5.510 10.109 348 HH11 ARG 68 1HH1 ARG 68 -7.412 -3.248 12.163 349 HH12 ARG 68 2HH1 ARG 68 -8.830 -4.226 12.299 350 HH21 ARG 68 1HH2 ARG 68 -7.600 -6.778 10.291 351 HH22 ARG 68 2HH2 ARG 68 -8.945 -6.217 11.246 352 H LYS 69 H LYS 69 -1.750 -0.986 12.770 353 HA LYS 69 HA LYS 69 -0.692 -2.075 15.276 354 HB2 LYS 69 1HB LYS 69 0.595 -0.248 14.498 355 HB3 LYS 69 2HB LYS 69 -0.831 0.686 14.078 356 HG2 LYS 69 1HG LYS 69 -0.112 1.753 15.979 357 HG3 LYS 69 2HG LYS 69 -1.297 0.623 16.637 358 HD2 LYS 69 1HD LYS 69 0.360 0.059 18.046 359 HD3 LYS 69 2HD LYS 69 0.951 -0.892 16.682 360 HE2 LYS 69 1HE LYS 69 1.803 1.889 16.567 361 HE3 LYS 69 2HE LYS 69 2.347 1.073 18.031 362 HZ1 LYS 69 3HZ LYS 69 4.008 0.385 16.719 363 HZ2 LYS 69 1HZ LYS 69 3.161 0.675 15.276 364 HZ3 LYS 69 2HZ LYS 69 2.897 -0.757 16.154 365 H ASP 70 H ASP 70 -3.382 -0.201 13.985 366 HA ASP 70 HA ASP 70 -4.746 -0.362 16.589 367 HB2 ASP 70 1HB ASP 70 -4.391 1.842 15.128 368 HB3 ASP 70 2HB ASP 70 -5.857 1.262 14.346 369 HA PRO 71 HA PRO 71 -7.429 -3.427 14.750 370 HB2 PRO 71 1HB PRO 71 -9.065 -3.818 16.822 371 HB3 PRO 71 2HB PRO 71 -7.364 -4.298 16.904 372 HG2 PRO 71 1HG PRO 71 -8.694 -1.843 17.999 373 HG3 PRO 71 2HG PRO 71 -7.512 -2.913 18.780 374 HD2 PRO 71 1HD PRO 71 -6.862 -0.533 17.580 375 HD3 PRO 71 2HD PRO 71 -5.735 -1.894 17.748 376 H SER 72 H SER 72 -7.953 -0.672 14.033 377 HA SER 72 HA SER 72 -10.652 0.041 14.519 378 HB2 SER 72 1HB SER 72 -9.248 0.930 12.033 379 HB3 SER 72 2HB SER 72 -10.260 1.857 13.133 380 HG SER 72 HG SER 72 -8.496 1.647 14.679 381 HA PRO 73 HA PRO 73 -12.741 -2.798 11.801 382 HB2 PRO 73 1HB PRO 73 -15.084 -1.413 11.545 383 HB3 PRO 73 2HB PRO 73 -14.669 -2.383 12.962 384 HG2 PRO 73 1HG PRO 73 -14.433 0.575 12.555 385 HG3 PRO 73 2HG PRO 73 -15.029 -0.315 13.970 386 HD2 PRO 73 1HD PRO 73 -12.549 0.716 13.896 387 HD3 PRO 73 2HD PRO 73 -12.889 -0.828 14.705 388 H CYS 74 H CYS 74 -12.579 0.650 11.055 389 HA CYS 74 HA CYS 74 -13.325 0.350 8.304 390 HB2 CYS 74 1HB CYS 74 -12.229 2.758 8.268 391 HB3 CYS 74 2HB CYS 74 -13.799 2.484 9.019 392 HG CYS 74 HG CYS 74 -11.197 2.115 11.099 393 H LEU 75 H LEU 75 -10.593 -0.552 9.904 394 HA LEU 75 HA LEU 75 -8.890 -0.149 7.531 395 HB2 LEU 75 1HB LEU 75 -8.241 -0.173 10.461 396 HB3 LEU 75 2HB LEU 75 -7.008 -0.512 9.268 397 HG LEU 75 HG LEU 75 -8.634 2.022 9.224 398 HD11 LEU 75 1HD1 LEU 75 -6.222 1.301 10.819 399 HD12 LEU 75 2HD1 LEU 75 -7.610 2.297 11.260 400 HD13 LEU 75 3HD1 LEU 75 -6.375 2.934 10.175 401 HD21 LEU 75 3HD2 LEU 75 -6.310 2.661 8.112 402 HD22 LEU 75 1HD2 LEU 75 -7.629 1.951 7.182 403 HD23 LEU 75 2HD2 LEU 75 -6.301 0.936 7.745 404 H ASP 76 H ASP 76 -10.783 -2.388 8.646 405 HA ASP 76 HA ASP 76 -9.115 -4.647 9.107 406 HB2 ASP 76 1HB ASP 76 -11.667 -4.209 9.632 407 HB3 ASP 76 2HB ASP 76 -11.894 -4.954 8.052 408 H GLN 77 H GLN 77 -10.807 -3.447 6.219 409 HA GLN 77 HA GLN 77 -9.254 -5.383 4.629 410 HB2 GLN 77 1HB GLN 77 -12.038 -5.133 4.789 411 HB3 GLN 77 2HB GLN 77 -11.602 -4.393 3.256 412 HG2 GLN 77 1HG GLN 77 -10.127 -6.696 3.231 413 HG3 GLN 77 2HG GLN 77 -11.603 -7.196 4.055 414 HE21 GLN 77 2HE2 GLN 77 -13.649 -6.468 2.947 415 HE22 GLN 77 1HE2 GLN 77 -13.686 -6.596 1.226 416 H ILE 78 H ILE 78 -8.190 -4.671 2.841 417 HA ILE 78 HA ILE 78 -8.402 -1.790 2.238 418 HB ILE 78 HB ILE 78 -6.269 -2.136 3.298 419 HG12 ILE 78 1HG1 ILE 78 -5.001 -2.020 0.748 420 HG13 ILE 78 2HG1 ILE 78 -6.569 -1.235 0.608 421 HG21 ILE 78 1HG2 ILE 78 -5.921 -4.391 1.340 422 HG22 ILE 78 2HG2 ILE 78 -5.899 -4.460 3.103 423 HG23 ILE 78 3HG2 ILE 78 -4.577 -3.679 2.235 424 HD11 ILE 78 3HD1 ILE 78 -4.718 -0.562 2.854 425 HD12 ILE 78 1HD1 ILE 78 -6.033 0.390 2.168 426 HD13 ILE 78 2HD1 ILE 78 -4.535 0.175 1.262 427 H VAL 79 H VAL 79 -8.900 -1.291 0.201 428 HA VAL 79 HA VAL 79 -8.431 -3.314 -1.873 429 HB VAL 79 HB VAL 79 -10.706 -3.615 -1.613 430 HG11 VAL 79 1HG1 VAL 79 -10.999 -0.651 -1.174 431 HG12 VAL 79 2HG1 VAL 79 -11.120 -1.923 0.041 432 HG13 VAL 79 3HG1 VAL 79 -12.332 -1.803 -1.233 433 HG21 VAL 79 3HG2 VAL 79 -10.440 -1.416 -3.660 434 HG22 VAL 79 1HG2 VAL 79 -11.860 -2.448 -3.481 435 HG23 VAL 79 2HG2 VAL 79 -10.308 -3.153 -3.936 436 H PHE 80 H PHE 80 -7.489 -2.620 -3.637 437 HA PHE 80 HA PHE 80 -6.931 0.231 -3.941 438 HB2 PHE 80 1HB PHE 80 -5.776 -2.307 -5.039 439 HB3 PHE 80 2HB PHE 80 -5.529 -0.813 -5.928 440 HD1 PHE 80 HD1 PHE 80 -5.090 -2.316 -2.556 441 HD2 PHE 80 HD2 PHE 80 -3.775 0.591 -5.374 442 HE1 PHE 80 HE1 PHE 80 -3.178 -1.780 -1.103 443 HE2 PHE 80 HE2 PHE 80 -1.858 1.135 -3.924 444 HZ PHE 80 HZ PHE 80 -1.559 -0.054 -1.786 445 HA PRO 81 HA PRO 81 -10.493 0.078 -6.784 446 HB2 PRO 81 1HB PRO 81 -10.704 2.779 -7.075 447 HB3 PRO 81 2HB PRO 81 -11.389 1.884 -5.717 448 HG2 PRO 81 1HG PRO 81 -8.845 3.444 -5.867 449 HG3 PRO 81 2HG PRO 81 -10.040 3.375 -4.560 450 HD2 PRO 81 1HD PRO 81 -7.710 2.002 -4.487 451 HD3 PRO 81 2HD PRO 81 -9.197 1.396 -3.732 452 H ASP 82 H ASP 82 -7.342 1.417 -7.279 453 HA ASP 82 HA ASP 82 -7.894 1.840 -10.125 454 HB2 ASP 82 1HB ASP 82 -5.537 2.632 -8.408 455 HB3 ASP 82 2HB ASP 82 -5.618 2.889 -10.150 456 H PHE 83 H PHE 83 -6.740 -0.596 -8.126 457 HA PHE 83 HA PHE 83 -5.205 -1.776 -10.351 458 HB2 PHE 83 1HB PHE 83 -4.729 -1.887 -7.388 459 HB3 PHE 83 2HB PHE 83 -4.090 -3.138 -8.447 460 HD1 PHE 83 HD1 PHE 83 -3.915 0.407 -7.527 461 HD2 PHE 83 HD2 PHE 83 -2.274 -2.683 -9.952 462 HE1 PHE 83 HE1 PHE 83 -1.986 1.839 -8.040 463 HE2 PHE 83 HE2 PHE 83 -0.338 -1.254 -10.467 464 HZ PHE 83 HZ PHE 83 -0.196 1.012 -9.511 465 H GLY 84 H GLY 84 -7.812 -2.185 -8.122 466 HA2 GLY 84 1HA GLY 84 -9.521 -3.760 -8.198 467 HA3 GLY 84 2HA GLY 84 -8.650 -4.600 -9.472 468 H VAL 85 H VAL 85 -7.186 -3.765 -6.423 469 HA VAL 85 HA VAL 85 -6.999 -6.631 -5.775 470 HB VAL 85 HB VAL 85 -5.128 -4.337 -5.189 471 HG11 VAL 85 1HG1 VAL 85 -3.949 -6.744 -4.344 472 HG12 VAL 85 2HG1 VAL 85 -5.555 -6.690 -3.616 473 HG13 VAL 85 3HG1 VAL 85 -4.425 -5.362 -3.355 474 HG21 VAL 85 3HG2 VAL 85 -3.509 -5.768 -6.399 475 HG22 VAL 85 1HG2 VAL 85 -4.878 -5.269 -7.394 476 HG23 VAL 85 2HG2 VAL 85 -4.815 -6.906 -6.737 477 H HIS 86 H HIS 86 -8.211 -7.271 -4.119 478 HA HIS 86 HA HIS 86 -8.699 -5.389 -1.895 479 HB2 HIS 86 1HB HIS 86 -10.804 -6.890 -1.533 480 HB3 HIS 86 2HB HIS 86 -10.837 -5.643 -2.771 481 HD1 HIS 86 HD1 HIS 86 -9.658 -9.276 -2.828 482 HD2 HIS 86 HD2 HIS 86 -12.149 -6.664 -4.896 483 HE1 HIS 86 HE1 HIS 86 -10.609 -10.616 -4.736 484 H ALA 87 H ALA 87 -7.800 -6.003 -0.020 485 HA ALA 87 HA ALA 87 -7.530 -8.881 0.537 486 HB1 ALA 87 3HB ALA 87 -5.349 -8.769 0.100 487 HB2 ALA 87 1HB ALA 87 -5.211 -7.851 1.600 488 HB3 ALA 87 2HB ALA 87 -5.362 -7.005 0.059 489 H ASN 88 H ASN 88 -7.135 -9.400 2.783 490 HA ASN 88 HA ASN 88 -8.356 -7.433 4.594 491 HB2 ASN 88 1HB ASN 88 -9.443 -9.693 4.302 492 HB3 ASN 88 2HB ASN 88 -8.017 -10.406 5.048 493 HD21 ASN 88 2HD2 ASN 88 -10.667 -8.157 5.582 494 HD22 ASN 88 1HD2 ASN 88 -10.710 -8.333 7.302 495 H LEU 89 H LEU 89 -7.297 -6.722 6.404 496 HA LEU 89 HA LEU 89 -4.484 -7.525 6.628 497 HB2 LEU 89 1HB LEU 89 -5.839 -5.162 7.920 498 HB3 LEU 89 2HB LEU 89 -4.116 -5.468 7.822 499 HG LEU 89 HG LEU 89 -5.900 -4.900 5.452 500 HD11 LEU 89 1HD1 LEU 89 -4.549 -2.755 5.418 501 HD12 LEU 89 2HD1 LEU 89 -4.077 -3.146 7.072 502 HD13 LEU 89 3HD1 LEU 89 -5.778 -2.896 6.675 503 HD21 LEU 89 3HD2 LEU 89 -4.109 -6.165 4.648 504 HD22 LEU 89 1HD2 LEU 89 -2.961 -5.416 5.758 505 HD23 LEU 89 2HD2 LEU 89 -3.602 -4.495 4.397 506 HA PRO 90 HA PRO 90 -5.544 -9.619 10.420 507 HB2 PRO 90 1HB PRO 90 -3.107 -10.656 10.918 508 HB3 PRO 90 2HB PRO 90 -4.151 -11.278 9.636 509 HG2 PRO 90 1HG PRO 90 -1.753 -9.527 9.442 510 HG3 PRO 90 2HG PRO 90 -2.327 -10.778 8.330 511 HD2 PRO 90 1HD PRO 90 -2.679 -8.025 8.025 512 HD3 PRO 90 2HD PRO 90 -3.575 -9.290 7.161 513 H MET 91 H MET 91 -5.694 -8.822 12.427 514 HA MET 91 HA MET 91 -4.312 -6.479 13.217 515 HB2 MET 91 1HB MET 91 -6.554 -6.924 14.016 516 HB3 MET 91 2HB MET 91 -6.016 -8.398 14.811 517 HG2 MET 91 1HG MET 91 -6.359 -6.534 16.371 518 HG3 MET 91 2HG MET 91 -4.706 -7.137 16.378 519 HE1 MET 91 3HE MET 91 -4.515 -4.816 17.825 520 HE2 MET 91 1HE MET 91 -3.572 -3.597 16.968 521 HE3 MET 91 2HE MET 91 -3.035 -5.276 16.983 522 H GLY 92 H GLY 92 -2.412 -6.223 14.167 523 HA2 GLY 92 1HA GLY 92 -0.619 -6.636 15.586 524 HA3 GLY 92 2HA GLY 92 -1.342 -8.181 16.005 525 H GLU 93 H GLU 93 -1.118 -7.667 12.654 526 HA GLU 93 HA GLU 93 1.484 -9.001 12.474 527 HB2 GLU 93 1HB GLU 93 -1.065 -9.983 11.186 528 HB3 GLU 93 2HB GLU 93 0.537 -10.563 10.756 529 HG2 GLU 93 1HG GLU 93 -0.419 -10.692 13.584 530 HG3 GLU 93 2HG GLU 93 -0.907 -11.917 12.412 531 H GLU 94 H GLU 94 2.007 -9.263 9.977 532 HA GLU 94 HA GLU 94 1.420 -6.655 8.735 533 HB2 GLU 94 1HB GLU 94 3.900 -8.360 8.653 534 HB3 GLU 94 2HB GLU 94 3.622 -7.054 7.512 535 HG2 GLU 94 1HG GLU 94 4.086 -5.459 9.017 536 HG3 GLU 94 2HG GLU 94 3.300 -6.326 10.336 537 H TYR 95 H TYR 95 0.613 -6.580 6.739 538 HA TYR 95 HA TYR 95 0.481 -9.086 5.184 539 HB2 TYR 95 1HB TYR 95 -1.709 -8.115 6.260 540 HB3 TYR 95 2HB TYR 95 -1.637 -6.977 4.922 541 HD1 TYR 95 HD1 TYR 95 -1.933 -10.552 5.801 542 HD2 TYR 95 HD2 TYR 95 -2.221 -7.645 2.710 543 HE1 TYR 95 HE1 TYR 95 -3.004 -12.218 4.343 544 HE2 TYR 95 HE2 TYR 95 -3.291 -9.302 1.244 545 HH TYR 95 HH TYR 95 -3.251 -11.953 1.123 546 H VAL 96 H VAL 96 1.404 -8.962 3.224 547 HA VAL 96 HA VAL 96 2.036 -6.280 2.216 548 HB VAL 96 HB VAL 96 3.872 -8.023 2.733 549 HG11 VAL 96 1HG1 VAL 96 3.928 -8.991 0.028 550 HG12 VAL 96 2HG1 VAL 96 2.455 -9.512 0.844 551 HG13 VAL 96 3HG1 VAL 96 4.029 -9.888 1.544 552 HG21 VAL 96 3HG2 VAL 96 5.115 -7.249 0.590 553 HG22 VAL 96 1HG2 VAL 96 4.605 -6.055 1.783 554 HG23 VAL 96 2HG2 VAL 96 3.661 -6.290 0.312 555 H VAL 97 H VAL 97 1.427 -5.572 0.278 556 HA VAL 97 HA VAL 97 -0.206 -7.371 -1.401 557 HB VAL 97 HB VAL 97 -0.379 -4.374 -1.026 558 HG11 VAL 97 1HG1 VAL 97 -2.061 -6.038 -2.896 559 HG12 VAL 97 2HG1 VAL 97 -0.677 -5.077 -3.418 560 HG13 VAL 97 3HG1 VAL 97 -2.079 -4.284 -2.700 561 HG21 VAL 97 3HG2 VAL 97 -2.782 -5.046 -0.454 562 HG22 VAL 97 1HG2 VAL 97 -1.526 -5.416 0.727 563 HG23 VAL 97 2HG2 VAL 97 -2.153 -6.688 -0.321 564 H GLU 98 H GLU 98 0.875 -8.024 -3.144 565 HA GLU 98 HA GLU 98 3.015 -6.363 -4.234 566 HB2 GLU 98 1HB GLU 98 2.308 -9.241 -4.350 567 HB3 GLU 98 2HB GLU 98 3.110 -8.572 -5.764 568 HG2 GLU 98 1HG GLU 98 5.058 -8.140 -4.629 569 HG3 GLU 98 2HG GLU 98 4.248 -8.038 -3.064 570 H ILE 99 H ILE 99 2.657 -5.039 -5.875 571 HA ILE 99 HA ILE 99 0.713 -5.805 -7.950 572 HB ILE 99 HB ILE 99 0.335 -3.155 -8.014 573 HG12 ILE 99 1HG1 ILE 99 0.583 -3.744 -5.056 574 HG13 ILE 99 2HG1 ILE 99 1.787 -2.853 -5.981 575 HG21 ILE 99 1HG2 ILE 99 -1.443 -4.760 -7.995 576 HG22 ILE 99 2HG2 ILE 99 -1.765 -3.555 -6.747 577 HG23 ILE 99 3HG2 ILE 99 -1.142 -5.142 -6.299 578 HD11 ILE 99 3HD1 ILE 99 -0.558 -1.886 -4.729 579 HD12 ILE 99 1HD1 ILE 99 -0.737 -1.665 -6.470 580 HD13 ILE 99 2HD1 ILE 99 0.661 -0.987 -5.633 581 H THR 100 H THR 100 1.045 -4.751 -10.007 582 HA THR 100 HA THR 100 3.810 -3.785 -10.352 583 HB THR 100 HB THR 100 2.282 -5.222 -12.510 584 HG1 THR 100 HG1 THR 100 3.249 -7.133 -11.816 585 HG21 THR 100 3HG2 THR 100 4.366 -5.469 -13.564 586 HG22 THR 100 1HG2 THR 100 5.255 -5.104 -12.085 587 HG23 THR 100 2HG2 THR 100 4.393 -3.822 -12.934 588 HA PRO 101 HA PRO 101 1.298 -0.278 -11.853 589 HB2 PRO 101 1HB PRO 101 3.185 1.598 -11.403 590 HB3 PRO 101 2HB PRO 101 2.168 0.957 -10.109 591 HG2 PRO 101 1HG PRO 101 4.970 0.202 -10.864 592 HG3 PRO 101 2HG PRO 101 4.299 0.514 -9.254 593 HD2 PRO 101 1HD PRO 101 4.653 -1.985 -10.216 594 HD3 PRO 101 2HD PRO 101 3.322 -1.573 -9.117 595 H GLU 102 H GLU 102 1.261 -0.772 -14.051 596 HA GLU 102 HA GLU 102 3.718 -0.418 -15.595 597 HB2 GLU 102 1HB GLU 102 1.004 -1.476 -16.389 598 HB3 GLU 102 2HB GLU 102 2.375 -1.343 -17.481 599 HG2 GLU 102 1HG GLU 102 3.253 -3.246 -16.748 600 HG3 GLU 102 2HG GLU 102 3.079 -2.761 -15.064 601 H GLN 103 H GLN 103 1.531 1.646 -14.481 602 HA GLN 103 HA GLN 103 1.715 3.372 -16.851 603 HB2 GLN 103 1HB GLN 103 -0.663 2.281 -15.898 604 HB3 GLN 103 2HB GLN 103 -0.650 3.915 -15.247 605 HG2 GLN 103 1HG GLN 103 -0.081 4.630 -17.656 606 HG3 GLN 103 2HG GLN 103 -0.654 3.022 -18.101 607 HE21 GLN 103 2HE2 GLN 103 -1.529 6.167 -17.003 608 HE22 GLN 103 1HE2 GLN 103 -3.240 5.953 -17.092 609 H ALA 104 H ALA 104 2.418 5.397 -16.449 610 HA ALA 104 HA ALA 104 3.123 6.061 -13.708 611 HB1 ALA 104 3HB ALA 104 4.277 6.563 -16.227 612 HB2 ALA 104 1HB ALA 104 4.877 7.048 -14.640 613 HB3 ALA 104 2HB ALA 104 3.824 8.129 -15.554 614 H GLY 105 H GLY 105 2.052 7.435 -12.462 615 HA2 GLY 105 1HA GLY 105 0.889 9.821 -13.053 616 HA3 GLY 105 2HA GLY 105 -0.373 8.656 -13.428 617 H GLU 106 H GLU 106 -1.647 9.632 -11.772 618 HA GLU 106 HA GLU 106 -0.734 9.152 -9.027 619 HB2 GLU 106 1HB GLU 106 -2.420 11.160 -10.300 620 HB3 GLU 106 2HB GLU 106 -3.167 10.470 -8.865 621 HG2 GLU 106 1HG GLU 106 -1.357 11.137 -7.493 622 HG3 GLU 106 2HG GLU 106 -0.366 11.558 -8.890 623 H PHE 107 H PHE 107 -1.503 7.547 -7.872 624 HA PHE 107 HA PHE 107 -3.999 6.219 -8.728 625 HB2 PHE 107 1HB PHE 107 -1.461 5.048 -7.581 626 HB3 PHE 107 2HB PHE 107 -2.973 4.149 -7.649 627 HD1 PHE 107 HD1 PHE 107 -0.265 5.643 -9.620 628 HD2 PHE 107 HD2 PHE 107 -3.804 3.292 -9.718 629 HE1 PHE 107 HE1 PHE 107 0.257 4.959 -11.925 630 HE2 PHE 107 HE2 PHE 107 -3.293 2.601 -12.024 631 HZ PHE 107 HZ PHE 107 -1.257 3.436 -13.131 632 H SER 108 H SER 108 -4.910 4.858 -6.746 633 HA SER 108 HA SER 108 -4.484 6.210 -4.210 634 HB2 SER 108 1HB SER 108 -6.770 6.933 -3.927 635 HB3 SER 108 2HB SER 108 -6.154 7.607 -5.434 636 HG SER 108 HG SER 108 -7.172 5.662 -6.433 637 H PHE 109 H PHE 109 -5.556 5.236 -2.421 638 HA PHE 109 HA PHE 109 -6.888 2.685 -2.805 639 HB2 PHE 109 1HB PHE 109 -5.364 1.483 -1.254 640 HB3 PHE 109 2HB PHE 109 -4.587 1.944 -2.760 641 HD1 PHE 109 HD2 PHE 109 -2.967 3.830 -2.777 642 HD2 PHE 109 HD1 PHE 109 -4.583 2.270 0.836 643 HE1 PHE 109 HE2 PHE 109 -1.147 4.891 -1.509 644 HE2 PHE 109 HE1 PHE 109 -2.764 3.325 2.111 645 HZ PHE 109 HZ PHE 109 -1.044 4.639 0.939 646 H ALA 110 H ALA 110 -8.448 2.383 -1.315 647 HA ALA 110 HA ALA 110 -8.257 3.444 1.349 648 HB1 ALA 110 3HB ALA 110 -10.535 4.739 0.841 649 HB2 ALA 110 1HB ALA 110 -9.762 4.910 -0.735 650 HB3 ALA 110 2HB ALA 110 -8.952 5.507 0.713 651 H CYS 111 H CYS 111 -10.445 3.199 2.510 652 HA CYS 111 HA CYS 111 -11.810 0.787 1.508 653 HB2 CYS 111 1HB CYS 111 -10.458 0.192 3.428 654 HB3 CYS 111 2HB CYS 111 -11.129 1.525 4.362 655 HG CYS 111 HG CYS 111 -13.807 0.237 3.933 656 H GLY 112 H GLY 112 -13.970 0.894 1.321 657 HA2 GLY 112 1HA GLY 112 -15.304 3.392 1.816 658 HA3 GLY 112 2HA GLY 112 -16.025 1.945 1.136 659 H MET 113 H MET 113 -14.809 3.230 4.219 660 HA MET 113 HA MET 113 -17.201 2.175 5.542 661 HB2 MET 113 1HB MET 113 -14.680 0.955 5.767 662 HB3 MET 113 2HB MET 113 -14.912 1.842 7.267 663 HG2 MET 113 1HG MET 113 -16.676 0.553 7.923 664 HG3 MET 113 2HG MET 113 -17.146 0.159 6.271 665 HE1 MET 113 3HE MET 113 -16.596 -3.146 8.039 666 HE2 MET 113 1HE MET 113 -17.377 -1.614 8.433 667 HE3 MET 113 2HE MET 113 -15.901 -2.095 9.272 668 H ASN 114 H ASN 114 -14.468 4.370 5.539 669 HA ASN 114 HA ASN 114 -15.986 6.305 7.051 670 HB2 ASN 114 1HB ASN 114 -14.187 4.625 8.434 671 HB3 ASN 114 2HB ASN 114 -13.397 6.194 8.306 672 HD21 ASN 114 2HD2 ASN 114 -16.702 5.014 8.866 673 HD22 ASN 114 1HD2 ASN 114 -16.995 6.018 10.246 674 H MET 115 H MET 115 -13.770 7.979 7.716 675 HA MET 115 HA MET 115 -13.290 9.148 5.131 676 HB2 MET 115 1HB MET 115 -13.621 10.237 7.552 677 HB3 MET 115 2HB MET 115 -11.865 10.160 7.537 678 HG2 MET 115 1HG MET 115 -12.360 11.227 5.095 679 HG3 MET 115 2HG MET 115 -13.695 11.889 6.038 680 HE1 MET 115 3HE MET 115 -9.952 11.235 5.888 681 HE2 MET 115 1HE MET 115 -9.228 12.722 6.498 682 HE3 MET 115 2HE MET 115 -10.077 12.725 4.952 683 H MET 116 H MET 116 -12.069 7.348 4.235 684 HA MET 116 HA MET 116 -9.398 6.887 5.274 685 HB2 MET 116 1HB MET 116 -11.195 5.589 3.349 686 HB3 MET 116 2HB MET 116 -9.503 5.570 2.875 687 HG2 MET 116 1HG MET 116 -10.590 3.663 4.355 688 HG3 MET 116 2HG MET 116 -8.907 4.152 4.527 689 HE1 MET 116 3HE MET 116 -8.530 5.880 7.695 690 HE2 MET 116 1HE MET 116 -7.920 5.376 6.119 691 HE3 MET 116 2HE MET 116 -8.186 4.178 7.387 692 H HIS 117 H HIS 117 -7.461 7.304 4.128 693 HA HIS 117 HA HIS 117 -7.607 8.957 1.735 694 HB2 HIS 117 1HB HIS 117 -7.115 10.034 4.374 695 HB3 HIS 117 2HB HIS 117 -5.740 10.317 3.315 696 HD1 HIS 117 HD1 HIS 117 -9.392 10.373 2.302 697 HD2 HIS 117 HD2 HIS 117 -6.152 12.955 2.708 698 HE1 HIS 117 HE1 HIS 117 -10.155 12.574 1.346 699 H GLY 118 H GLY 118 -6.380 7.722 0.440 700 HA2 GLY 118 1HA GLY 118 -3.572 7.338 1.192 701 HA3 GLY 118 2HA GLY 118 -4.501 5.914 0.744 702 H LYS 119 H LYS 119 -2.337 8.062 -0.424 703 HA LYS 119 HA LYS 119 -3.358 7.786 -3.180 704 HB2 LYS 119 1HB LYS 119 -3.249 10.144 -2.071 705 HB3 LYS 119 2HB LYS 119 -1.524 10.015 -2.378 706 HG2 LYS 119 1HG LYS 119 -2.217 9.485 -4.801 707 HG3 LYS 119 2HG LYS 119 -3.780 10.156 -4.336 708 HD2 LYS 119 1HD LYS 119 -1.305 11.701 -3.718 709 HD3 LYS 119 2HD LYS 119 -1.908 11.681 -5.377 710 HE2 LYS 119 1HE LYS 119 -4.196 12.232 -4.171 711 HE3 LYS 119 2HE LYS 119 -3.116 12.854 -2.924 712 HZ1 LYS 119 3HZ LYS 119 -2.766 13.644 -5.756 713 HZ2 LYS 119 1HZ LYS 119 -2.265 14.451 -4.347 714 HZ3 LYS 119 2HZ LYS 119 -3.903 14.430 -4.767 715 H MET 120 H MET 120 -1.838 7.450 -4.836 716 HA MET 120 HA MET 120 0.890 6.741 -3.986 717 HB2 MET 120 1HB MET 120 -0.396 4.664 -4.112 718 HB3 MET 120 2HB MET 120 -0.914 5.064 -5.740 719 HG2 MET 120 1HG MET 120 1.815 5.182 -5.939 720 HG3 MET 120 2HG MET 120 1.563 3.858 -4.803 721 HE1 MET 120 3HE MET 120 -0.711 1.932 -5.674 722 HE2 MET 120 1HE MET 120 0.991 1.694 -5.275 723 HE3 MET 120 2HE MET 120 0.329 1.008 -6.761 724 H ILE 121 H ILE 121 2.498 7.256 -5.441 725 HA ILE 121 HA ILE 121 1.610 8.411 -8.012 726 HB ILE 121 HB ILE 121 3.818 9.435 -6.216 727 HG12 ILE 121 1HG1 ILE 121 2.202 11.552 -6.825 728 HG13 ILE 121 2HG1 ILE 121 1.033 10.236 -6.770 729 HG21 ILE 121 1HG2 ILE 121 4.135 11.182 -7.945 730 HG22 ILE 121 2HG2 ILE 121 3.038 10.291 -9.002 731 HG23 ILE 121 3HG2 ILE 121 4.568 9.565 -8.505 732 HD11 ILE 121 3HD1 ILE 121 2.990 10.709 -4.550 733 HD12 ILE 121 1HD1 ILE 121 1.490 9.780 -4.524 734 HD13 ILE 121 2HD1 ILE 121 1.436 11.540 -4.633 735 H VAL 122 H VAL 122 2.370 7.356 -9.707 736 HA VAL 122 HA VAL 122 4.780 5.700 -9.380 737 HB VAL 122 HB VAL 122 2.593 5.538 -11.462 738 HG11 VAL 122 1HG1 VAL 122 5.046 4.847 -12.049 739 HG12 VAL 122 2HG1 VAL 122 3.696 3.802 -12.494 740 HG13 VAL 122 3HG1 VAL 122 4.668 3.430 -11.071 741 HG21 VAL 122 3HG2 VAL 122 2.162 4.802 -9.031 742 HG22 VAL 122 1HG2 VAL 122 3.243 3.459 -9.401 743 HG23 VAL 122 2HG2 VAL 122 1.760 3.680 -10.330 744 H GLU 123 H GLU 123 6.612 6.321 -10.297 745 HA GLU 123 HA GLU 123 6.594 8.554 -12.174 746 HB2 GLU 123 1HB GLU 123 8.419 7.527 -10.195 747 HB3 GLU 123 2HB GLU 123 9.242 7.697 -11.739 748 HG2 GLU 123 1HG GLU 123 7.568 9.962 -10.810 749 HG3 GLU 123 2HG GLU 123 9.098 9.672 -9.988 Start of MODEL 7 1 HA2 GLY 26 1HA GLY 26 10.824 16.723 -1.296 2 HA3 GLY 26 2HA GLY 26 11.926 17.518 -0.181 3 H ALA 27 H ALA 27 9.143 17.809 1.339 4 HA ALA 27 HA ALA 27 9.413 15.231 2.756 5 HB1 ALA 27 3HB ALA 27 8.641 17.942 3.821 6 HB2 ALA 27 1HB ALA 27 10.103 17.024 4.181 7 HB3 ALA 27 2HB ALA 27 8.536 16.447 4.750 8 H MET 28 H MET 28 7.530 16.493 0.526 9 HA MET 28 HA MET 28 4.936 16.005 1.741 10 HB2 MET 28 1HB MET 28 5.828 17.625 -0.341 11 HB3 MET 28 2HB MET 28 4.912 16.356 -1.143 12 HG2 MET 28 1HG MET 28 3.149 16.906 0.726 13 HG3 MET 28 2HG MET 28 3.998 18.449 0.757 14 HE1 MET 28 3HE MET 28 0.861 18.248 0.025 15 HE2 MET 28 1HE MET 28 0.853 19.434 -1.280 16 HE3 MET 28 2HE MET 28 1.832 19.713 0.160 17 H GLY 29 H GLY 29 4.979 13.797 2.199 18 HA2 GLY 29 1HA GLY 29 3.867 11.817 1.266 19 HA3 GLY 29 2HA GLY 29 4.810 12.066 -0.193 20 H GLN 30 H GLN 30 5.231 9.715 0.278 21 HA GLN 30 HA GLN 30 7.744 9.537 1.790 22 HB2 GLN 30 1HB GLN 30 5.275 8.313 2.562 23 HB3 GLN 30 2HB GLN 30 6.409 7.051 2.096 24 HG2 GLN 30 1HG GLN 30 7.238 7.198 4.145 25 HG3 GLN 30 2HG GLN 30 7.921 8.752 3.668 26 HE21 GLN 30 2HE2 GLN 30 6.455 10.646 3.954 27 HE22 GLN 30 1HE2 GLN 30 5.451 10.662 5.362 28 H LYS 31 H LYS 31 9.311 8.561 0.678 29 HA LYS 31 HA LYS 31 8.641 7.315 -1.867 30 HB2 LYS 31 1HB LYS 31 10.812 8.879 -0.912 31 HB3 LYS 31 2HB LYS 31 11.448 7.310 -1.387 32 HG2 LYS 31 1HG LYS 31 10.591 7.541 -3.590 33 HG3 LYS 31 2HG LYS 31 9.677 8.981 -3.146 34 HD2 LYS 31 1HD LYS 31 11.548 9.840 -4.240 35 HD3 LYS 31 2HD LYS 31 11.974 9.980 -2.532 36 HE2 LYS 31 1HE LYS 31 13.118 7.750 -2.759 37 HE3 LYS 31 2HE LYS 31 12.881 7.893 -4.500 38 HZ1 LYS 31 3HZ LYS 31 15.074 8.659 -3.837 39 HZ2 LYS 31 1HZ LYS 31 14.388 9.810 -2.801 40 HZ3 LYS 31 2HZ LYS 31 14.168 9.937 -4.474 41 H ALA 32 H ALA 32 8.692 5.204 -2.231 42 HA ALA 32 HA ALA 32 9.137 3.375 -0.082 43 HB1 ALA 32 3HB ALA 32 7.411 2.889 -1.670 44 HB2 ALA 32 1HB ALA 32 8.651 1.640 -1.800 45 HB3 ALA 32 2HB ALA 32 8.565 2.927 -3.005 46 H GLN 33 H GLN 33 10.674 1.651 -0.014 47 HA GLN 33 HA GLN 33 13.284 2.491 -0.916 48 HB2 GLN 33 1HB GLN 33 14.162 0.746 0.466 49 HB3 GLN 33 2HB GLN 33 12.873 1.537 1.357 50 HG2 GLN 33 1HG GLN 33 11.365 -0.334 0.566 51 HG3 GLN 33 2HG GLN 33 12.827 -1.154 0.023 52 HE21 GLN 33 2HE2 GLN 33 12.082 0.745 2.927 53 HE22 GLN 33 1HE2 GLN 33 12.516 -0.493 4.049 54 H GLN 34 H GLN 34 14.601 1.507 -2.384 55 HA GLN 34 HA GLN 34 13.287 -0.340 -4.234 56 HB2 GLN 34 1HB GLN 34 15.796 1.328 -4.497 57 HB3 GLN 34 2HB GLN 34 15.230 0.209 -5.730 58 HG2 GLN 34 1HG GLN 34 13.056 1.546 -5.695 59 HG3 GLN 34 2HG GLN 34 13.964 2.762 -4.797 60 HE21 GLN 34 2HE2 GLN 34 13.064 1.708 -7.820 61 HE22 GLN 34 1HE2 GLN 34 14.217 2.593 -8.760 62 H LYS 35 H LYS 35 13.628 -2.436 -3.941 63 HA LYS 35 HA LYS 35 16.056 -3.336 -2.576 64 HB2 LYS 35 1HB LYS 35 13.694 -5.025 -3.388 65 HB3 LYS 35 2HB LYS 35 14.921 -5.398 -2.189 66 HG2 LYS 35 1HG LYS 35 13.396 -2.938 -1.685 67 HG3 LYS 35 2HG LYS 35 12.464 -4.434 -1.618 68 HD2 LYS 35 1HD LYS 35 15.005 -4.688 -0.245 69 HD3 LYS 35 2HD LYS 35 14.041 -3.362 0.405 70 HE2 LYS 35 1HE LYS 35 12.203 -5.398 0.091 71 HE3 LYS 35 2HE LYS 35 13.656 -6.238 0.633 72 HZ1 LYS 35 3HZ LYS 35 13.540 -5.302 2.661 73 HZ2 LYS 35 1HZ LYS 35 11.898 -5.090 2.282 74 HZ3 LYS 35 2HZ LYS 35 12.996 -3.798 2.084 75 H ASN 36 H ASN 36 15.749 -6.048 -3.769 76 HA ASN 36 HA ASN 36 17.520 -5.628 -6.006 77 HB2 ASN 36 1HB ASN 36 17.554 -7.487 -4.133 78 HB3 ASN 36 2HB ASN 36 16.504 -8.337 -5.263 79 HD21 ASN 36 2HD2 ASN 36 17.319 -8.936 -7.285 80 HD22 ASN 36 1HD2 ASN 36 19.019 -9.028 -7.582 81 H GLY 37 H GLY 37 15.775 -4.527 -7.301 82 HA2 GLY 37 1HA GLY 37 14.836 -4.849 -9.457 83 HA3 GLY 37 2HA GLY 37 14.562 -6.535 -9.062 84 H TYR 38 H TYR 38 13.476 -5.008 -6.420 85 HA TYR 38 HA TYR 38 10.861 -4.272 -7.505 86 HB2 TYR 38 1HB TYR 38 9.666 -5.683 -5.907 87 HB3 TYR 38 2HB TYR 38 10.693 -6.665 -6.943 88 HD1 TYR 38 HD2 TYR 38 12.881 -7.533 -6.003 89 HD2 TYR 38 HD1 TYR 38 9.888 -5.745 -3.562 90 HE1 TYR 38 HE2 TYR 38 13.886 -8.574 -4.018 91 HE2 TYR 38 HE1 TYR 38 10.885 -6.785 -1.569 92 HH TYR 38 HH TYR 38 12.715 -7.859 -0.772 93 H GLN 39 H GLN 39 9.488 -3.140 -5.899 94 HA GLN 39 HA GLN 39 11.193 -1.711 -3.960 95 HB2 GLN 39 1HB GLN 39 8.603 -0.506 -4.706 96 HB3 GLN 39 2HB GLN 39 10.158 0.254 -4.425 97 HG2 GLN 39 1HG GLN 39 10.441 -1.257 -6.771 98 HG3 GLN 39 2HG GLN 39 8.893 -0.424 -6.896 99 HE21 GLN 39 2HE2 GLN 39 9.407 1.913 -5.577 100 HE22 GLN 39 1HE2 GLN 39 10.610 2.812 -6.427 101 H GLU 40 H GLU 40 10.257 -1.036 -1.957 102 HA GLU 40 HA GLU 40 7.841 -2.449 -1.102 103 HB2 GLU 40 1HB GLU 40 9.864 -3.902 -0.681 104 HB3 GLU 40 2HB GLU 40 10.421 -2.679 0.450 105 HG2 GLU 40 1HG GLU 40 7.867 -3.148 1.307 106 HG3 GLU 40 2HG GLU 40 8.383 -4.743 0.760 107 H ILE 41 H ILE 41 6.749 -1.476 0.580 108 HA ILE 41 HA ILE 41 7.999 0.765 1.975 109 HB ILE 41 HB ILE 41 7.049 1.997 0.199 110 HG12 ILE 41 1HG1 ILE 41 4.695 2.627 1.634 111 HG13 ILE 41 2HG1 ILE 41 5.900 2.163 2.825 112 HG21 ILE 41 1HG2 ILE 41 5.418 1.219 -1.076 113 HG22 ILE 41 2HG2 ILE 41 4.278 1.343 0.268 114 HG23 ILE 41 3HG2 ILE 41 5.214 -0.135 0.035 115 HD11 ILE 41 3HD1 ILE 41 5.996 4.527 2.506 116 HD12 ILE 41 1HD1 ILE 41 6.140 4.336 0.757 117 HD13 ILE 41 2HD1 ILE 41 7.454 3.812 1.813 118 H ARG 42 H ARG 42 7.454 0.816 4.057 119 HA ARG 42 HA ARG 42 5.424 -1.025 5.019 120 HB2 ARG 42 1HB ARG 42 7.907 -0.253 5.978 121 HB3 ARG 42 2HB ARG 42 6.782 0.575 7.045 122 HG2 ARG 42 1HG ARG 42 5.806 -1.448 7.757 123 HG3 ARG 42 2HG ARG 42 6.571 -2.362 6.454 124 HD2 ARG 42 1HD ARG 42 8.765 -1.943 7.444 125 HD3 ARG 42 2HD ARG 42 8.011 -1.010 8.736 126 HE ARG 42 HE ARG 42 6.823 -3.509 8.769 127 HH11 ARG 42 1HH1 ARG 42 10.000 -2.192 9.207 128 HH12 ARG 42 2HH1 ARG 42 10.500 -3.440 10.293 129 HH21 ARG 42 1HH2 ARG 42 7.480 -5.143 10.194 130 HH22 ARG 42 2HH2 ARG 42 9.087 -5.096 10.847 131 H VAL 43 H VAL 43 3.412 -0.298 5.029 132 HA VAL 43 HA VAL 43 2.880 2.514 5.696 133 HB VAL 43 HB VAL 43 1.005 0.445 4.521 134 HG11 VAL 43 1HG1 VAL 43 -0.649 1.888 4.861 135 HG12 VAL 43 2HG1 VAL 43 0.249 3.150 4.015 136 HG13 VAL 43 3HG1 VAL 43 0.467 2.926 5.752 137 HG21 VAL 43 3HG2 VAL 43 2.921 1.106 3.058 138 HG22 VAL 43 1HG2 VAL 43 2.334 2.767 3.138 139 HG23 VAL 43 2HG2 VAL 43 1.332 1.513 2.408 140 H GLU 44 H GLU 44 2.649 2.818 7.805 141 HA GLU 44 HA GLU 44 1.726 0.799 9.602 142 HB2 GLU 44 1HB GLU 44 3.226 3.046 9.895 143 HB3 GLU 44 2HB GLU 44 1.683 3.600 10.525 144 HG2 GLU 44 1HG GLU 44 2.539 2.791 12.444 145 HG3 GLU 44 2HG GLU 44 1.846 1.288 11.837 146 H VAL 45 H VAL 45 -0.287 0.268 10.055 147 HA VAL 45 HA VAL 45 -2.447 2.103 9.282 148 HB VAL 45 HB VAL 45 -2.413 -0.886 9.710 149 HG11 VAL 45 1HG1 VAL 45 -4.762 -0.939 9.153 150 HG12 VAL 45 2HG1 VAL 45 -4.798 0.818 9.024 151 HG13 VAL 45 3HG1 VAL 45 -4.512 0.055 10.589 152 HG21 VAL 45 3HG2 VAL 45 -3.460 0.249 7.225 153 HG22 VAL 45 1HG2 VAL 45 -2.339 -1.088 7.479 154 HG23 VAL 45 2HG2 VAL 45 -1.750 0.575 7.510 155 H MET 46 H MET 46 -2.627 3.426 11.024 156 HA MET 46 HA MET 46 -3.823 2.259 13.413 157 HB2 MET 46 1HB MET 46 -2.365 3.943 14.778 158 HB3 MET 46 2HB MET 46 -1.700 2.380 14.329 159 HG2 MET 46 1HG MET 46 -0.750 3.601 12.282 160 HG3 MET 46 2HG MET 46 -1.108 5.075 13.179 161 HE1 MET 46 3HE MET 46 1.285 5.061 16.129 162 HE2 MET 46 1HE MET 46 -0.462 5.060 15.886 163 HE3 MET 46 2HE MET 46 0.565 6.108 14.906 164 H GLY 47 H GLY 47 -5.760 3.185 12.758 165 HA2 GLY 47 1HA GLY 47 -7.359 4.863 12.996 166 HA3 GLY 47 2HA GLY 47 -6.073 5.992 13.404 167 H GLY 48 H GLY 48 -5.079 4.442 10.721 168 HA2 GLY 48 1HA GLY 48 -6.430 5.225 8.516 169 HA3 GLY 48 2HA GLY 48 -5.603 6.695 9.007 170 H TYR 49 H TYR 49 -4.115 6.863 7.388 171 HA TYR 49 HA TYR 49 -2.185 4.643 7.141 172 HB2 TYR 49 1HB TYR 49 -2.993 6.606 4.979 173 HB3 TYR 49 2HB TYR 49 -1.852 5.279 4.797 174 HD1 TYR 49 HD2 TYR 49 -2.830 2.889 5.356 175 HD2 TYR 49 HD1 TYR 49 -5.194 6.281 4.349 176 HE1 TYR 49 HE2 TYR 49 -4.678 1.403 4.706 177 HE2 TYR 49 HE1 TYR 49 -7.048 4.804 3.699 178 HH TYR 49 HH TYR 49 -7.072 1.455 4.421 179 H THR 50 H THR 50 -0.090 5.139 7.592 180 HA THR 50 HA THR 50 0.552 7.745 8.540 181 HB THR 50 HB THR 50 2.287 5.325 8.060 182 HG1 THR 50 HG1 THR 50 1.018 6.543 10.251 183 HG21 THR 50 3HG2 THR 50 3.545 7.508 7.741 184 HG22 THR 50 1HG2 THR 50 4.154 6.444 9.010 185 HG23 THR 50 2HG2 THR 50 3.184 7.856 9.432 186 HA PRO 51 HA PRO 51 3.104 8.440 4.578 187 HB2 PRO 51 1HB PRO 51 3.193 6.593 2.615 188 HB3 PRO 51 2HB PRO 51 4.307 6.557 3.987 189 HG2 PRO 51 1HG PRO 51 1.823 4.958 3.521 190 HG3 PRO 51 2HG PRO 51 3.389 4.434 4.169 191 HD2 PRO 51 1HD PRO 51 1.226 4.986 5.739 192 HD3 PRO 51 2HD PRO 51 2.906 5.180 6.277 193 H GLU 52 H GLU 52 1.441 9.902 4.196 194 HA GLU 52 HA GLU 52 -1.068 9.424 3.154 195 HB2 GLU 52 1HB GLU 52 -0.935 11.815 2.287 196 HB3 GLU 52 2HB GLU 52 -0.662 11.580 4.008 197 HG2 GLU 52 1HG GLU 52 1.839 11.425 2.652 198 HG3 GLU 52 2HG GLU 52 0.990 12.878 2.126 199 H LEU 53 H LEU 53 1.927 10.015 1.341 200 HA LEU 53 HA LEU 53 0.599 8.901 -1.027 201 HB2 LEU 53 1HB LEU 53 2.584 10.817 -1.823 202 HB3 LEU 53 2HB LEU 53 0.898 10.721 -2.267 203 HG LEU 53 HG LEU 53 1.561 11.914 0.371 204 HD11 LEU 53 1HD1 LEU 53 2.406 12.981 -2.242 205 HD12 LEU 53 2HD1 LEU 53 3.039 13.295 -0.627 206 HD13 LEU 53 3HD1 LEU 53 1.577 14.113 -1.175 207 HD21 LEU 53 3HD2 LEU 53 -0.394 13.209 -0.040 208 HD22 LEU 53 1HD2 LEU 53 -0.774 11.547 -0.490 209 HD23 LEU 53 2HD2 LEU 53 -0.423 12.742 -1.739 210 H ILE 54 H ILE 54 1.664 7.129 -1.659 211 HA ILE 54 HA ILE 54 4.492 6.859 -0.922 212 HB ILE 54 HB ILE 54 4.189 4.463 -1.711 213 HG12 ILE 54 1HG1 ILE 54 1.269 5.248 -1.590 214 HG13 ILE 54 2HG1 ILE 54 2.158 4.762 -3.025 215 HG21 ILE 54 1HG2 ILE 54 3.882 5.601 0.706 216 HG22 ILE 54 2HG2 ILE 54 3.793 3.866 0.417 217 HG23 ILE 54 3HG2 ILE 54 2.312 4.816 0.530 218 HD11 ILE 54 3HD1 ILE 54 0.985 3.139 -0.892 219 HD12 ILE 54 1HD1 ILE 54 2.598 2.639 -1.406 220 HD13 ILE 54 2HD1 ILE 54 1.290 2.748 -2.586 221 H VAL 55 H VAL 55 6.079 7.029 -2.345 222 HA VAL 55 HA VAL 55 5.391 7.392 -5.166 223 HB VAL 55 HB VAL 55 7.962 7.945 -3.680 224 HG11 VAL 55 1HG1 VAL 55 7.791 9.301 -6.184 225 HG12 VAL 55 2HG1 VAL 55 7.575 7.571 -6.446 226 HG13 VAL 55 3HG1 VAL 55 9.015 8.165 -5.618 227 HG21 VAL 55 3HG2 VAL 55 7.349 10.324 -4.145 228 HG22 VAL 55 1HG2 VAL 55 6.272 9.496 -3.021 229 HG23 VAL 55 2HG2 VAL 55 5.774 9.749 -4.693 230 H LEU 56 H LEU 56 5.760 5.908 -6.659 231 HA LEU 56 HA LEU 56 7.794 3.834 -6.181 232 HB2 LEU 56 1HB LEU 56 4.974 3.385 -7.165 233 HB3 LEU 56 2HB LEU 56 6.239 2.175 -7.225 234 HG LEU 56 HG LEU 56 5.455 3.428 -4.614 235 HD11 LEU 56 1HD1 LEU 56 3.949 1.459 -6.232 236 HD12 LEU 56 2HD1 LEU 56 3.372 2.649 -5.063 237 HD13 LEU 56 3HD1 LEU 56 4.102 1.144 -4.504 238 HD21 LEU 56 3HD2 LEU 56 7.477 1.761 -5.256 239 HD22 LEU 56 1HD2 LEU 56 6.213 0.598 -4.858 240 HD23 LEU 56 2HD2 LEU 56 6.701 1.809 -3.673 241 H LYS 57 H LYS 57 8.288 2.594 -8.240 242 HA LYS 57 HA LYS 57 8.512 4.515 -10.438 243 HB2 LYS 57 1HB LYS 57 10.246 2.540 -9.336 244 HB3 LYS 57 2HB LYS 57 9.905 2.092 -11.001 245 HG2 LYS 57 1HG LYS 57 10.524 4.462 -11.627 246 HG3 LYS 57 2HG LYS 57 11.137 4.630 -9.981 247 HD2 LYS 57 1HD LYS 57 12.470 2.481 -10.502 248 HD3 LYS 57 2HD LYS 57 12.117 2.858 -12.191 249 HE2 LYS 57 1HE LYS 57 13.072 5.150 -11.755 250 HE3 LYS 57 2HE LYS 57 13.627 4.537 -10.199 251 HZ1 LYS 57 3HZ LYS 57 14.453 2.703 -12.096 252 HZ2 LYS 57 1HZ LYS 57 15.421 3.797 -11.238 253 HZ3 LYS 57 2HZ LYS 57 14.800 4.222 -12.754 254 H LYS 58 H LYS 58 8.422 3.503 -12.705 255 HA LYS 58 HA LYS 58 5.932 1.964 -12.852 256 HB2 LYS 58 1HB LYS 58 6.155 4.166 -14.045 257 HB3 LYS 58 2HB LYS 58 7.349 3.410 -15.093 258 HG2 LYS 58 1HG LYS 58 5.648 1.769 -15.800 259 HG3 LYS 58 2HG LYS 58 4.460 2.612 -14.805 260 HD2 LYS 58 1HD LYS 58 4.023 3.707 -16.728 261 HD3 LYS 58 2HD LYS 58 5.424 4.672 -16.260 262 HE2 LYS 58 1HE LYS 58 6.768 2.850 -17.543 263 HE3 LYS 58 2HE LYS 58 5.215 2.492 -18.295 264 HZ1 LYS 58 3HZ LYS 58 5.527 5.244 -18.388 265 HZ2 LYS 58 1HZ LYS 58 5.596 4.156 -19.683 266 HZ3 LYS 58 2HZ LYS 58 7.012 4.592 -18.866 267 H SER 59 H SER 59 5.683 0.137 -14.090 268 HA SER 59 HA SER 59 6.190 -1.844 -15.063 269 HB2 SER 59 1HB SER 59 7.204 -0.500 -16.852 270 HB3 SER 59 2HB SER 59 8.731 -0.465 -15.970 271 HG SER 59 HG SER 59 8.577 -2.856 -16.087 272 H VAL 60 H VAL 60 7.231 -1.037 -12.324 273 HA VAL 60 HA VAL 60 9.149 -3.256 -12.048 274 HB VAL 60 HB VAL 60 10.112 -0.919 -11.701 275 HG11 VAL 60 1HG1 VAL 60 8.356 -1.076 -9.267 276 HG12 VAL 60 2HG1 VAL 60 8.390 0.180 -10.505 277 HG13 VAL 60 3HG1 VAL 60 9.746 0.002 -9.392 278 HG21 VAL 60 3HG2 VAL 60 10.305 -2.926 -9.464 279 HG22 VAL 60 1HG2 VAL 60 11.427 -1.591 -9.726 280 HG23 VAL 60 2HG2 VAL 60 11.288 -2.876 -10.927 281 HA PRO 61 HA PRO 61 6.075 -4.992 -9.329 282 HB2 PRO 61 1HB PRO 61 7.732 -6.709 -7.958 283 HB3 PRO 61 2HB PRO 61 7.045 -7.052 -9.549 284 HG2 PRO 61 1HG PRO 61 9.771 -6.054 -8.833 285 HG3 PRO 61 2HG PRO 61 9.296 -7.235 -10.067 286 HD2 PRO 61 1HD PRO 61 9.922 -4.684 -10.684 287 HD3 PRO 61 2HD PRO 61 8.691 -5.598 -11.581 288 H ALA 62 H ALA 62 5.289 -3.956 -7.601 289 HA ALA 62 HA ALA 62 7.183 -3.151 -5.485 290 HB1 ALA 62 3HB ALA 62 5.267 -1.322 -5.156 291 HB2 ALA 62 1HB ALA 62 5.106 -1.590 -6.892 292 HB3 ALA 62 2HB ALA 62 6.655 -1.079 -6.219 293 H ARG 63 H ARG 63 6.613 -3.548 -3.388 294 HA ARG 63 HA ARG 63 3.983 -4.799 -2.984 295 HB2 ARG 63 1HB ARG 63 4.912 -6.383 -1.463 296 HB3 ARG 63 2HB ARG 63 5.877 -6.421 -2.928 297 HG2 ARG 63 1HG ARG 63 7.374 -4.730 -1.577 298 HG3 ARG 63 2HG ARG 63 6.586 -5.502 -0.202 299 HD2 ARG 63 1HD ARG 63 7.277 -7.635 -1.792 300 HD3 ARG 63 2HD ARG 63 8.634 -6.531 -2.004 301 HE ARG 63 HE ARG 63 8.939 -6.585 0.402 302 HH11 ARG 63 1HH1 ARG 63 6.897 -9.060 -0.945 303 HH12 ARG 63 2HH1 ARG 63 7.119 -10.127 0.396 304 HH21 ARG 63 1HH2 ARG 63 9.211 -7.993 2.137 305 HH22 ARG 63 2HH2 ARG 63 8.417 -9.529 2.127 306 H ILE 64 H ILE 64 2.714 -3.897 -1.578 307 HA ILE 64 HA ILE 64 3.780 -1.811 0.188 308 HB ILE 64 HB ILE 64 0.855 -2.389 -0.172 309 HG12 ILE 64 1HG1 ILE 64 1.908 -2.198 -2.434 310 HG13 ILE 64 2HG1 ILE 64 0.744 -0.925 -2.088 311 HG21 ILE 64 1HG2 ILE 64 0.562 -0.098 0.416 312 HG22 ILE 64 2HG2 ILE 64 2.293 0.215 0.285 313 HG23 ILE 64 3HG2 ILE 64 1.680 -0.813 1.579 314 HD11 ILE 64 3HD1 ILE 64 3.477 -0.702 -2.853 315 HD12 ILE 64 1HD1 ILE 64 3.260 0.034 -1.263 316 HD13 ILE 64 2HD1 ILE 64 2.277 0.571 -2.627 317 H VAL 65 H VAL 65 4.252 -2.365 2.215 318 HA VAL 65 HA VAL 65 3.017 -4.735 3.401 319 HB VAL 65 HB VAL 65 5.115 -3.027 4.720 320 HG11 VAL 65 1HG1 VAL 65 4.569 -5.986 4.893 321 HG12 VAL 65 2HG1 VAL 65 3.944 -4.789 6.025 322 HG13 VAL 65 3HG1 VAL 65 5.683 -5.049 5.888 323 HG21 VAL 65 3HG2 VAL 65 5.512 -4.079 2.236 324 HG22 VAL 65 1HG2 VAL 65 6.083 -5.384 3.278 325 HG23 VAL 65 2HG2 VAL 65 6.782 -3.771 3.419 326 H PHE 66 H PHE 66 1.119 -4.421 4.396 327 HA PHE 66 HA PHE 66 0.623 -1.888 5.780 328 HB2 PHE 66 1HB PHE 66 -1.178 -4.164 4.958 329 HB3 PHE 66 2HB PHE 66 -1.730 -2.854 6.000 330 HD1 PHE 66 HD2 PHE 66 -1.367 -0.452 5.085 331 HD2 PHE 66 HD1 PHE 66 -1.356 -3.952 2.667 332 HE1 PHE 66 HE2 PHE 66 -1.844 0.923 3.102 333 HE2 PHE 66 HE1 PHE 66 -1.830 -2.584 0.678 334 HZ PHE 66 HZ PHE 66 -2.074 -0.142 0.896 335 H ASP 67 H ASP 67 1.232 -1.768 7.818 336 HA ASP 67 HA ASP 67 1.220 -4.172 9.504 337 HB2 ASP 67 1HB ASP 67 3.303 -2.902 9.459 338 HB3 ASP 67 2HB ASP 67 2.452 -1.435 9.923 339 H ARG 68 H ARG 68 -0.730 -4.503 10.433 340 HA ARG 68 HA ARG 68 -2.464 -2.311 11.108 341 HB2 ARG 68 1HB ARG 68 -3.310 -4.512 10.307 342 HB3 ARG 68 2HB ARG 68 -2.783 -5.224 11.828 343 HG2 ARG 68 1HG ARG 68 -4.774 -4.721 12.664 344 HG3 ARG 68 2HG ARG 68 -4.325 -3.021 12.559 345 HD2 ARG 68 1HD ARG 68 -6.227 -2.956 11.320 346 HD3 ARG 68 2HD ARG 68 -5.088 -3.373 10.043 347 HE ARG 68 HE ARG 68 -5.893 -5.588 10.083 348 HH11 ARG 68 1HH1 ARG 68 -7.619 -3.507 12.262 349 HH12 ARG 68 2HH1 ARG 68 -8.968 -4.578 12.399 350 HH21 ARG 68 1HH2 ARG 68 -7.641 -6.972 10.264 351 HH22 ARG 68 2HH2 ARG 68 -8.992 -6.532 11.269 352 H LYS 69 H LYS 69 -1.903 -1.060 12.738 353 HA LYS 69 HA LYS 69 -0.887 -2.249 15.219 354 HB2 LYS 69 1HB LYS 69 0.488 -0.467 14.463 355 HB3 LYS 69 2HB LYS 69 -0.896 0.554 14.112 356 HG2 LYS 69 1HG LYS 69 0.067 1.450 16.049 357 HG3 LYS 69 2HG LYS 69 -1.348 0.556 16.608 358 HD2 LYS 69 1HD LYS 69 0.013 -0.489 18.032 359 HD3 LYS 69 2HD LYS 69 0.700 -1.317 16.633 360 HE2 LYS 69 1HE LYS 69 2.628 -0.422 17.392 361 HE3 LYS 69 2HE LYS 69 2.063 1.004 16.523 362 HZ1 LYS 69 3HZ LYS 69 2.754 0.973 19.115 363 HZ2 LYS 69 1HZ LYS 69 1.076 0.778 19.229 364 HZ3 LYS 69 2HZ LYS 69 1.721 2.116 18.419 365 H ASP 70 H ASP 70 -3.517 -0.297 13.929 366 HA ASP 70 HA ASP 70 -4.860 -0.360 16.544 367 HB2 ASP 70 1HB ASP 70 -4.511 1.812 15.162 368 HB3 ASP 70 2HB ASP 70 -5.830 1.206 14.166 369 HA PRO 71 HA PRO 71 -7.541 -3.510 14.837 370 HB2 PRO 71 1HB PRO 71 -9.066 -3.918 16.989 371 HB3 PRO 71 2HB PRO 71 -7.357 -4.375 16.986 372 HG2 PRO 71 1HG PRO 71 -8.661 -1.936 18.145 373 HG3 PRO 71 2HG PRO 71 -7.427 -2.989 18.865 374 HD2 PRO 71 1HD PRO 71 -6.870 -0.604 17.632 375 HD3 PRO 71 2HD PRO 71 -5.718 -1.949 17.741 376 H SER 72 H SER 72 -8.142 -0.764 14.147 377 HA SER 72 HA SER 72 -10.862 -0.158 14.756 378 HB2 SER 72 1HB SER 72 -8.751 0.962 12.992 379 HB3 SER 72 2HB SER 72 -10.419 1.311 12.539 380 HG SER 72 HG SER 72 -9.046 1.977 14.923 381 HA PRO 73 HA PRO 73 -12.893 -2.901 11.908 382 HB2 PRO 73 1HB PRO 73 -15.252 -1.536 11.675 383 HB3 PRO 73 2HB PRO 73 -14.841 -2.554 13.060 384 HG2 PRO 73 1HG PRO 73 -14.634 0.420 12.763 385 HG3 PRO 73 2HG PRO 73 -15.239 -0.526 14.137 386 HD2 PRO 73 1HD PRO 73 -12.771 0.533 14.137 387 HD3 PRO 73 2HD PRO 73 -13.101 -1.049 14.875 388 H CYS 74 H CYS 74 -12.730 0.565 11.287 389 HA CYS 74 HA CYS 74 -13.456 0.358 8.520 390 HB2 CYS 74 1HB CYS 74 -12.586 2.755 8.464 391 HB3 CYS 74 2HB CYS 74 -13.947 2.434 9.534 392 HG CYS 74 HG CYS 74 -10.724 2.520 10.665 393 H LEU 75 H LEU 75 -10.702 -0.507 10.152 394 HA LEU 75 HA LEU 75 -9.022 -0.115 7.761 395 HB2 LEU 75 1HB LEU 75 -8.359 0.012 10.680 396 HB3 LEU 75 2HB LEU 75 -7.120 -0.407 9.513 397 HG LEU 75 HG LEU 75 -8.729 2.143 9.388 398 HD11 LEU 75 1HD1 LEU 75 -6.843 3.261 10.371 399 HD12 LEU 75 2HD1 LEU 75 -5.946 1.745 10.470 400 HD13 LEU 75 3HD1 LEU 75 -7.387 1.984 11.460 401 HD21 LEU 75 3HD2 LEU 75 -6.416 2.631 8.106 402 HD22 LEU 75 1HD2 LEU 75 -7.871 2.046 7.300 403 HD23 LEU 75 2HD2 LEU 75 -6.600 0.912 7.757 404 H ASP 76 H ASP 76 -10.858 -2.348 8.860 405 HA ASP 76 HA ASP 76 -9.218 -4.566 9.503 406 HB2 ASP 76 1HB ASP 76 -11.697 -4.287 9.966 407 HB3 ASP 76 2HB ASP 76 -11.972 -4.686 8.275 408 H GLN 77 H GLN 77 -10.429 -3.317 6.431 409 HA GLN 77 HA GLN 77 -8.720 -5.275 5.062 410 HB2 GLN 77 1HB GLN 77 -11.557 -4.555 4.315 411 HB3 GLN 77 2HB GLN 77 -10.457 -5.433 3.262 412 HG2 GLN 77 1HG GLN 77 -10.708 -7.359 4.382 413 HG3 GLN 77 2HG GLN 77 -10.754 -6.562 5.952 414 HE21 GLN 77 2HE2 GLN 77 -12.559 -7.176 6.918 415 HE22 GLN 77 1HE2 GLN 77 -14.134 -7.178 6.202 416 H ILE 78 H ILE 78 -8.290 -4.659 2.758 417 HA ILE 78 HA ILE 78 -8.388 -1.757 2.304 418 HB ILE 78 HB ILE 78 -6.194 -2.198 3.289 419 HG12 ILE 78 1HG1 ILE 78 -5.037 -1.761 0.747 420 HG13 ILE 78 2HG1 ILE 78 -6.647 -1.051 0.696 421 HG21 ILE 78 1HG2 ILE 78 -5.878 -4.177 1.045 422 HG22 ILE 78 2HG2 ILE 78 -5.852 -4.499 2.779 423 HG23 ILE 78 3HG2 ILE 78 -4.543 -3.583 2.031 424 HD11 ILE 78 3HD1 ILE 78 -6.152 0.515 2.280 425 HD12 ILE 78 1HD1 ILE 78 -4.582 0.330 1.499 426 HD13 ILE 78 2HD1 ILE 78 -4.903 -0.479 3.032 427 H VAL 79 H VAL 79 -8.595 -1.142 0.167 428 HA VAL 79 HA VAL 79 -8.315 -3.207 -1.879 429 HB VAL 79 HB VAL 79 -10.531 -3.532 -1.928 430 HG11 VAL 79 1HG1 VAL 79 -11.838 -2.660 -0.391 431 HG12 VAL 79 2HG1 VAL 79 -11.767 -1.068 -1.152 432 HG13 VAL 79 3HG1 VAL 79 -10.538 -1.542 0.022 433 HG21 VAL 79 3HG2 VAL 79 -10.203 -2.365 -4.026 434 HG22 VAL 79 1HG2 VAL 79 -10.516 -0.816 -3.241 435 HG23 VAL 79 2HG2 VAL 79 -11.806 -2.012 -3.377 436 H PHE 80 H PHE 80 -7.492 -2.547 -3.719 437 HA PHE 80 HA PHE 80 -6.825 0.293 -4.021 438 HB2 PHE 80 1HB PHE 80 -5.713 -2.282 -5.078 439 HB3 PHE 80 2HB PHE 80 -5.430 -0.806 -5.984 440 HD1 PHE 80 HD1 PHE 80 -5.040 -2.282 -2.597 441 HD2 PHE 80 HD2 PHE 80 -3.655 0.577 -5.430 442 HE1 PHE 80 HE1 PHE 80 -3.128 -1.768 -1.135 443 HE2 PHE 80 HE2 PHE 80 -1.738 1.098 -3.972 444 HZ PHE 80 HZ PHE 80 -1.474 -0.078 -1.824 445 HA PRO 81 HA PRO 81 -10.348 0.169 -6.917 446 HB2 PRO 81 1HB PRO 81 -10.545 2.872 -7.186 447 HB3 PRO 81 2HB PRO 81 -11.256 1.969 -5.844 448 HG2 PRO 81 1HG PRO 81 -8.702 3.522 -5.944 449 HG3 PRO 81 2HG PRO 81 -9.920 3.449 -4.657 450 HD2 PRO 81 1HD PRO 81 -7.599 2.062 -4.550 451 HD3 PRO 81 2HD PRO 81 -9.102 1.461 -3.825 452 H ASP 82 H ASP 82 -7.168 1.401 -7.325 453 HA ASP 82 HA ASP 82 -7.626 1.947 -10.166 454 HB2 ASP 82 1HB ASP 82 -5.365 2.611 -8.290 455 HB3 ASP 82 2HB ASP 82 -5.216 2.798 -10.035 456 H PHE 83 H PHE 83 -6.601 -0.592 -8.200 457 HA PHE 83 HA PHE 83 -5.128 -1.796 -10.455 458 HB2 PHE 83 1HB PHE 83 -4.582 -1.977 -7.498 459 HB3 PHE 83 2HB PHE 83 -3.938 -3.161 -8.633 460 HD1 PHE 83 HD1 PHE 83 -3.991 0.445 -7.814 461 HD2 PHE 83 HD2 PHE 83 -2.014 -2.696 -9.895 462 HE1 PHE 83 HE1 PHE 83 -2.124 1.960 -8.316 463 HE2 PHE 83 HE2 PHE 83 -0.137 -1.185 -10.397 464 HZ PHE 83 HZ PHE 83 -0.197 1.151 -9.608 465 H GLY 84 H GLY 84 -7.713 -2.142 -8.201 466 HA2 GLY 84 1HA GLY 84 -9.448 -3.687 -8.252 467 HA3 GLY 84 2HA GLY 84 -8.597 -4.557 -9.520 468 H VAL 85 H VAL 85 -7.082 -3.725 -6.500 469 HA VAL 85 HA VAL 85 -6.979 -6.587 -5.805 470 HB VAL 85 HB VAL 85 -5.035 -4.344 -5.261 471 HG11 VAL 85 1HG1 VAL 85 -4.371 -5.373 -3.415 472 HG12 VAL 85 2HG1 VAL 85 -3.908 -6.760 -4.401 473 HG13 VAL 85 3HG1 VAL 85 -5.516 -6.688 -3.679 474 HG21 VAL 85 3HG2 VAL 85 -4.811 -6.929 -6.793 475 HG22 VAL 85 1HG2 VAL 85 -3.468 -5.834 -6.469 476 HG23 VAL 85 2HG2 VAL 85 -4.825 -5.296 -7.458 477 H HIS 86 H HIS 86 -8.236 -7.143 -4.139 478 HA HIS 86 HA HIS 86 -8.517 -5.251 -1.898 479 HB2 HIS 86 1HB HIS 86 -10.599 -5.286 -3.197 480 HB3 HIS 86 2HB HIS 86 -10.686 -7.029 -3.038 481 HD1 HIS 86 HD1 HIS 86 -9.801 -4.918 -0.062 482 HD2 HIS 86 HD2 HIS 86 -13.098 -6.902 -1.652 483 HE1 HIS 86 HE1 HIS 86 -11.548 -4.900 1.749 484 H ALA 87 H ALA 87 -7.657 -6.051 -0.113 485 HA ALA 87 HA ALA 87 -7.889 -8.937 0.418 486 HB1 ALA 87 3HB ALA 87 -5.506 -7.647 -0.285 487 HB2 ALA 87 1HB ALA 87 -5.696 -9.281 0.352 488 HB3 ALA 87 2HB ALA 87 -5.403 -7.933 1.453 489 H ASN 88 H ASN 88 -7.230 -9.441 2.740 490 HA ASN 88 HA ASN 88 -8.421 -7.413 4.508 491 HB2 ASN 88 1HB ASN 88 -8.045 -10.146 5.559 492 HB3 ASN 88 2HB ASN 88 -9.433 -9.072 5.688 493 HD21 ASN 88 2HD2 ASN 88 -11.118 -9.348 4.340 494 HD22 ASN 88 1HD2 ASN 88 -11.187 -10.543 3.097 495 H LEU 89 H LEU 89 -7.411 -6.853 6.464 496 HA LEU 89 HA LEU 89 -4.554 -7.552 6.554 497 HB2 LEU 89 1HB LEU 89 -5.904 -5.232 7.927 498 HB3 LEU 89 2HB LEU 89 -4.181 -5.505 7.754 499 HG LEU 89 HG LEU 89 -6.052 -4.955 5.450 500 HD11 LEU 89 1HD1 LEU 89 -4.347 -3.152 7.126 501 HD12 LEU 89 2HD1 LEU 89 -6.024 -2.947 6.620 502 HD13 LEU 89 3HD1 LEU 89 -4.719 -2.758 5.447 503 HD21 LEU 89 3HD2 LEU 89 -3.092 -5.352 5.690 504 HD22 LEU 89 1HD2 LEU 89 -3.788 -4.417 4.365 505 HD23 LEU 89 2HD2 LEU 89 -4.229 -6.113 4.576 506 HA PRO 90 HA PRO 90 -5.474 -9.718 10.340 507 HB2 PRO 90 1HB PRO 90 -2.997 -10.658 10.808 508 HB3 PRO 90 2HB PRO 90 -4.017 -11.301 9.518 509 HG2 PRO 90 1HG PRO 90 -1.710 -9.424 9.352 510 HG3 PRO 90 2HG PRO 90 -2.203 -10.699 8.229 511 HD2 PRO 90 1HD PRO 90 -2.708 -7.979 7.922 512 HD3 PRO 90 2HD PRO 90 -3.557 -9.287 7.077 513 H MET 91 H MET 91 -5.663 -8.924 12.345 514 HA MET 91 HA MET 91 -4.367 -6.546 13.159 515 HB2 MET 91 1HB MET 91 -6.584 -7.091 13.964 516 HB3 MET 91 2HB MET 91 -5.982 -8.548 14.742 517 HG2 MET 91 1HG MET 91 -6.392 -6.716 16.323 518 HG3 MET 91 2HG MET 91 -4.715 -7.250 16.313 519 HE1 MET 91 3HE MET 91 -4.555 -4.957 17.775 520 HE2 MET 91 1HE MET 91 -3.683 -3.689 16.914 521 HE3 MET 91 2HE MET 91 -3.086 -5.348 16.883 522 H GLY 92 H GLY 92 -2.472 -6.222 14.094 523 HA2 GLY 92 1HA GLY 92 -0.674 -6.582 15.530 524 HA3 GLY 92 2HA GLY 92 -1.308 -8.180 15.886 525 H GLU 93 H GLU 93 -1.210 -7.734 12.570 526 HA GLU 93 HA GLU 93 1.516 -8.801 12.339 527 HB2 GLU 93 1HB GLU 93 -0.945 -9.969 11.030 528 HB3 GLU 93 2HB GLU 93 0.706 -10.452 10.670 529 HG2 GLU 93 1HG GLU 93 0.981 -11.208 12.980 530 HG3 GLU 93 2HG GLU 93 -0.678 -10.724 13.330 531 H GLU 94 H GLU 94 2.027 -9.003 9.834 532 HA GLU 94 HA GLU 94 1.190 -6.455 8.610 533 HB2 GLU 94 1HB GLU 94 3.819 -7.925 8.410 534 HB3 GLU 94 2HB GLU 94 3.396 -6.539 7.415 535 HG2 GLU 94 1HG GLU 94 4.067 -5.153 8.996 536 HG3 GLU 94 2HG GLU 94 2.953 -5.882 10.152 537 H TYR 95 H TYR 95 0.322 -6.469 6.639 538 HA TYR 95 HA TYR 95 0.378 -8.996 5.112 539 HB2 TYR 95 1HB TYR 95 -1.869 -8.065 6.094 540 HB3 TYR 95 2HB TYR 95 -1.787 -6.951 4.734 541 HD1 TYR 95 HD1 TYR 95 -1.992 -10.521 5.671 542 HD2 TYR 95 HD2 TYR 95 -2.300 -7.674 2.526 543 HE1 TYR 95 HE1 TYR 95 -2.963 -12.245 4.212 544 HE2 TYR 95 HE2 TYR 95 -3.273 -9.390 1.059 545 HH TYR 95 HH TYR 95 -3.310 -11.837 0.861 546 H VAL 96 H VAL 96 1.382 -8.898 3.195 547 HA VAL 96 HA VAL 96 2.010 -6.241 2.144 548 HB VAL 96 HB VAL 96 3.814 -8.020 2.686 549 HG11 VAL 96 1HG1 VAL 96 4.022 -9.851 1.441 550 HG12 VAL 96 2HG1 VAL 96 3.820 -8.943 -0.058 551 HG13 VAL 96 3HG1 VAL 96 2.403 -9.509 0.829 552 HG21 VAL 96 3HG2 VAL 96 5.113 -7.239 0.599 553 HG22 VAL 96 1HG2 VAL 96 4.552 -6.033 1.757 554 HG23 VAL 96 2HG2 VAL 96 3.668 -6.288 0.252 555 H VAL 97 H VAL 97 1.438 -5.537 0.193 556 HA VAL 97 HA VAL 97 -0.192 -7.331 -1.495 557 HB VAL 97 HB VAL 97 -0.359 -4.332 -1.128 558 HG11 VAL 97 1HG1 VAL 97 -0.635 -5.170 -3.533 559 HG12 VAL 97 2HG1 VAL 97 -1.929 -4.175 -2.864 560 HG13 VAL 97 3HG1 VAL 97 -2.126 -5.924 -2.965 561 HG21 VAL 97 3HG2 VAL 97 -1.557 -5.306 0.604 562 HG22 VAL 97 1HG2 VAL 97 -2.100 -6.651 -0.398 563 HG23 VAL 97 2HG2 VAL 97 -2.794 -5.046 -0.627 564 H GLU 98 H GLU 98 0.979 -8.026 -3.163 565 HA GLU 98 HA GLU 98 3.094 -6.348 -4.268 566 HB2 GLU 98 1HB GLU 98 2.450 -9.239 -4.305 567 HB3 GLU 98 2HB GLU 98 3.241 -8.601 -5.740 568 HG2 GLU 98 1HG GLU 98 5.191 -8.185 -4.657 569 HG3 GLU 98 2HG GLU 98 4.390 -7.851 -3.123 570 H ILE 99 H ILE 99 2.731 -5.060 -5.927 571 HA ILE 99 HA ILE 99 0.833 -5.894 -8.019 572 HB ILE 99 HB ILE 99 0.417 -3.235 -8.091 573 HG12 ILE 99 1HG1 ILE 99 0.489 -3.840 -5.133 574 HG13 ILE 99 2HG1 ILE 99 1.802 -3.013 -5.965 575 HG21 ILE 99 1HG2 ILE 99 -1.724 -3.687 -6.932 576 HG22 ILE 99 2HG2 ILE 99 -1.092 -5.260 -6.449 577 HG23 ILE 99 3HG2 ILE 99 -1.324 -4.891 -8.158 578 HD11 ILE 99 3HD1 ILE 99 0.489 -1.139 -6.411 579 HD12 ILE 99 1HD1 ILE 99 0.078 -1.587 -4.757 580 HD13 ILE 99 2HD1 ILE 99 -1.014 -2.001 -6.080 581 H THR 100 H THR 100 1.187 -4.925 -10.086 582 HA THR 100 HA THR 100 3.905 -3.828 -10.415 583 HB THR 100 HB THR 100 2.480 -5.389 -12.558 584 HG1 THR 100 HG1 THR 100 3.532 -7.234 -11.804 585 HG21 THR 100 3HG2 THR 100 4.640 -5.628 -13.522 586 HG22 THR 100 1HG2 THR 100 5.432 -5.032 -12.063 587 HG23 THR 100 2HG2 THR 100 4.487 -3.933 -13.066 588 HA PRO 101 HA PRO 101 1.229 -0.499 -12.026 589 HB2 PRO 101 1HB PRO 101 2.982 1.498 -11.572 590 HB3 PRO 101 2HB PRO 101 1.994 0.804 -10.280 591 HG2 PRO 101 1HG PRO 101 4.847 0.225 -10.996 592 HG3 PRO 101 2HG PRO 101 4.139 0.513 -9.399 593 HD2 PRO 101 1HD PRO 101 4.666 -1.971 -10.334 594 HD3 PRO 101 2HD PRO 101 3.305 -1.632 -9.243 595 H GLU 102 H GLU 102 1.233 -0.973 -14.211 596 HA GLU 102 HA GLU 102 3.680 -0.462 -15.737 597 HB2 GLU 102 1HB GLU 102 1.060 -1.694 -16.603 598 HB3 GLU 102 2HB GLU 102 2.487 -1.528 -17.616 599 HG2 GLU 102 1HG GLU 102 3.381 -3.386 -16.797 600 HG3 GLU 102 2HG GLU 102 3.121 -2.858 -15.137 601 H GLN 103 H GLN 103 1.776 1.601 -14.563 602 HA GLN 103 HA GLN 103 1.696 3.292 -16.931 603 HB2 GLN 103 1HB GLN 103 -0.623 2.033 -16.067 604 HB3 GLN 103 2HB GLN 103 -0.728 3.635 -15.350 605 HG2 GLN 103 1HG GLN 103 -0.165 4.487 -17.714 606 HG3 GLN 103 2HG GLN 103 -0.626 2.867 -18.236 607 HE21 GLN 103 2HE2 GLN 103 -1.723 5.885 -16.957 608 HE22 GLN 103 1HE2 GLN 103 -3.414 5.573 -17.115 609 H ALA 104 H ALA 104 2.364 5.298 -16.469 610 HA ALA 104 HA ALA 104 2.936 5.975 -13.709 611 HB1 ALA 104 3HB ALA 104 4.088 6.596 -16.218 612 HB2 ALA 104 1HB ALA 104 4.666 7.032 -14.609 613 HB3 ALA 104 2HB ALA 104 3.576 8.113 -15.477 614 H GLY 105 H GLY 105 1.728 7.238 -12.465 615 HA2 GLY 105 1HA GLY 105 0.404 9.561 -13.194 616 HA3 GLY 105 2HA GLY 105 -0.766 8.261 -13.372 617 H GLU 106 H GLU 106 -1.845 9.648 -11.717 618 HA GLU 106 HA GLU 106 -0.821 9.222 -9.006 619 HB2 GLU 106 1HB GLU 106 -2.466 11.271 -10.295 620 HB3 GLU 106 2HB GLU 106 -3.123 10.725 -8.759 621 HG2 GLU 106 1HG GLU 106 -1.214 11.399 -7.576 622 HG3 GLU 106 2HG GLU 106 -0.258 11.564 -9.048 623 H PHE 107 H PHE 107 -1.462 7.433 -8.059 624 HA PHE 107 HA PHE 107 -4.175 6.404 -8.592 625 HB2 PHE 107 1HB PHE 107 -1.661 4.963 -7.718 626 HB3 PHE 107 2HB PHE 107 -3.238 4.197 -7.848 627 HD1 PHE 107 HD2 PHE 107 -4.135 5.595 -10.400 628 HD2 PHE 107 HD1 PHE 107 -0.477 3.714 -9.312 629 HE1 PHE 107 HE2 PHE 107 -3.689 5.102 -12.766 630 HE2 PHE 107 HE1 PHE 107 -0.024 3.223 -11.678 631 HZ PHE 107 HZ PHE 107 -1.632 3.915 -13.407 632 H SER 108 H SER 108 -4.997 5.034 -6.609 633 HA SER 108 HA SER 108 -4.137 6.093 -4.051 634 HB2 SER 108 1HB SER 108 -6.193 7.139 -3.438 635 HB3 SER 108 2HB SER 108 -5.753 7.784 -5.020 636 HG SER 108 HG SER 108 -7.201 6.173 -5.912 637 H PHE 109 H PHE 109 -5.319 5.161 -2.224 638 HA PHE 109 HA PHE 109 -6.835 2.727 -2.762 639 HB2 PHE 109 1HB PHE 109 -5.404 1.434 -1.135 640 HB3 PHE 109 2HB PHE 109 -4.646 1.788 -2.680 641 HD1 PHE 109 HD2 PHE 109 -2.806 3.390 -2.824 642 HD2 PHE 109 HD1 PHE 109 -4.589 2.392 0.910 643 HE1 PHE 109 HE2 PHE 109 -0.878 4.361 -1.646 644 HE2 PHE 109 HE1 PHE 109 -2.661 3.356 2.093 645 HZ PHE 109 HZ PHE 109 -0.801 4.343 0.815 646 H ALA 110 H ALA 110 -8.291 2.194 -1.143 647 HA ALA 110 HA ALA 110 -8.148 3.383 1.469 648 HB1 ALA 110 3HB ALA 110 -9.477 5.160 1.269 649 HB2 ALA 110 1HB ALA 110 -10.656 4.269 0.306 650 HB3 ALA 110 2HB ALA 110 -9.252 4.999 -0.473 651 H CYS 111 H CYS 111 -10.416 3.110 2.586 652 HA CYS 111 HA CYS 111 -11.528 0.495 1.814 653 HB2 CYS 111 1HB CYS 111 -10.101 0.369 3.857 654 HB3 CYS 111 2HB CYS 111 -11.168 1.534 4.636 655 HG CYS 111 HG CYS 111 -11.387 -1.638 4.784 656 H GLY 112 H GLY 112 -13.726 0.318 1.789 657 HA2 GLY 112 1HA GLY 112 -15.258 2.735 1.758 658 HA3 GLY 112 2HA GLY 112 -15.876 1.112 1.506 659 H MET 113 H MET 113 -14.767 3.324 4.051 660 HA MET 113 HA MET 113 -17.059 2.772 5.676 661 HB2 MET 113 1HB MET 113 -14.884 1.039 6.021 662 HB3 MET 113 2HB MET 113 -14.789 2.170 7.364 663 HG2 MET 113 1HG MET 113 -16.966 1.602 8.110 664 HG3 MET 113 2HG MET 113 -17.301 0.690 6.641 665 HE1 MET 113 3HE MET 113 -15.733 -2.559 6.908 666 HE2 MET 113 1HE MET 113 -14.431 -1.433 6.522 667 HE3 MET 113 2HE MET 113 -16.044 -1.177 5.856 668 H ASN 114 H ASN 114 -13.801 4.143 5.487 669 HA ASN 114 HA ASN 114 -14.710 6.359 7.207 670 HB2 ASN 114 1HB ASN 114 -12.604 4.759 7.724 671 HB3 ASN 114 2HB ASN 114 -11.803 5.983 6.743 672 HD21 ASN 114 2HD2 ASN 114 -12.332 5.152 9.793 673 HD22 ASN 114 1HD2 ASN 114 -12.366 6.704 10.548 674 H MET 115 H MET 115 -13.231 8.396 6.740 675 HA MET 115 HA MET 115 -13.614 8.991 3.899 676 HB2 MET 115 1HB MET 115 -13.154 10.771 6.294 677 HB3 MET 115 2HB MET 115 -13.263 11.369 4.645 678 HG2 MET 115 1HG MET 115 -15.442 11.576 4.986 679 HG3 MET 115 2HG MET 115 -15.530 9.815 4.935 680 HE1 MET 115 3HE MET 115 -16.134 8.338 6.805 681 HE2 MET 115 1HE MET 115 -17.548 9.353 6.521 682 HE3 MET 115 2HE MET 115 -17.039 8.989 8.170 683 H MET 116 H MET 116 -11.099 8.285 6.089 684 HA MET 116 HA MET 116 -9.030 9.793 4.814 685 HB2 MET 116 1HB MET 116 -7.733 9.106 6.525 686 HB3 MET 116 2HB MET 116 -9.240 8.533 7.220 687 HG2 MET 116 1HG MET 116 -7.945 6.620 5.425 688 HG3 MET 116 2HG MET 116 -7.002 7.033 6.855 689 HE1 MET 116 3HE MET 116 -9.617 4.826 5.376 690 HE2 MET 116 1HE MET 116 -9.785 3.734 6.753 691 HE3 MET 116 2HE MET 116 -8.186 4.084 6.095 692 H HIS 117 H HIS 117 -7.404 9.076 3.412 693 HA HIS 117 HA HIS 117 -7.521 6.392 2.341 694 HB2 HIS 117 1HB HIS 117 -7.913 7.057 0.027 695 HB3 HIS 117 2HB HIS 117 -9.265 7.549 1.038 696 HD1 HIS 117 HD1 HIS 117 -6.569 8.891 -1.141 697 HD2 HIS 117 HD2 HIS 117 -9.533 10.356 1.380 698 HE1 HIS 117 HE1 HIS 117 -6.742 11.344 -1.660 699 H GLY 118 H GLY 118 -5.774 5.904 0.861 700 HA2 GLY 118 1HA GLY 118 -3.438 7.641 1.348 701 HA3 GLY 118 2HA GLY 118 -3.367 5.909 1.058 702 H LYS 119 H LYS 119 -1.965 8.055 -0.356 703 HA LYS 119 HA LYS 119 -3.126 7.669 -3.042 704 HB2 LYS 119 1HB LYS 119 -2.533 10.046 -1.769 705 HB3 LYS 119 2HB LYS 119 -1.149 9.799 -2.821 706 HG2 LYS 119 1HG LYS 119 -2.476 9.812 -4.756 707 HG3 LYS 119 2HG LYS 119 -3.964 9.601 -3.832 708 HD2 LYS 119 1HD LYS 119 -4.097 11.843 -4.256 709 HD3 LYS 119 2HD LYS 119 -3.189 11.885 -2.744 710 HE2 LYS 119 1HE LYS 119 -1.211 12.425 -3.791 711 HE3 LYS 119 2HE LYS 119 -1.702 11.706 -5.323 712 HZ1 LYS 119 3HZ LYS 119 -2.295 13.712 -6.016 713 HZ2 LYS 119 1HZ LYS 119 -1.893 14.388 -4.510 714 HZ3 LYS 119 2HZ LYS 119 -3.456 13.802 -4.778 715 H MET 120 H MET 120 -1.716 7.282 -4.794 716 HA MET 120 HA MET 120 1.013 6.430 -4.087 717 HB2 MET 120 1HB MET 120 -0.652 4.505 -4.227 718 HB3 MET 120 2HB MET 120 -0.776 4.862 -5.940 719 HG2 MET 120 1HG MET 120 1.272 4.029 -6.405 720 HG3 MET 120 2HG MET 120 1.937 4.472 -4.837 721 HE1 MET 120 3HE MET 120 0.727 1.421 -6.948 722 HE2 MET 120 1HE MET 120 -0.717 2.349 -6.545 723 HE3 MET 120 2HE MET 120 -0.488 0.738 -5.867 724 H ILE 121 H ILE 121 2.472 7.393 -5.374 725 HA ILE 121 HA ILE 121 1.546 8.337 -8.012 726 HB ILE 121 HB ILE 121 3.767 9.422 -6.271 727 HG12 ILE 121 1HG1 ILE 121 2.147 11.514 -6.834 728 HG13 ILE 121 2HG1 ILE 121 0.968 10.206 -6.859 729 HG21 ILE 121 1HG2 ILE 121 4.038 11.143 -8.031 730 HG22 ILE 121 2HG2 ILE 121 2.932 10.228 -9.056 731 HG23 ILE 121 3HG2 ILE 121 4.478 9.525 -8.578 732 HD11 ILE 121 3HD1 ILE 121 2.829 10.793 -4.571 733 HD12 ILE 121 1HD1 ILE 121 1.534 9.594 -4.606 734 HD13 ILE 121 2HD1 ILE 121 1.148 11.314 -4.675 735 H VAL 122 H VAL 122 2.212 7.172 -9.660 736 HA VAL 122 HA VAL 122 4.662 5.580 -9.403 737 HB VAL 122 HB VAL 122 2.427 5.394 -11.432 738 HG11 VAL 122 1HG1 VAL 122 4.917 4.660 -11.976 739 HG12 VAL 122 2HG1 VAL 122 3.529 3.712 -12.507 740 HG13 VAL 122 3HG1 VAL 122 4.427 3.229 -11.067 741 HG21 VAL 122 3HG2 VAL 122 1.883 3.290 -10.280 742 HG22 VAL 122 1HG2 VAL 122 1.723 4.690 -9.219 743 HG23 VAL 122 2HG2 VAL 122 3.130 3.635 -9.084 744 H GLU 123 H GLU 123 6.469 6.293 -10.306 745 HA GLU 123 HA GLU 123 6.360 8.459 -12.256 746 HB2 GLU 123 1HB GLU 123 8.613 7.197 -10.702 747 HB3 GLU 123 2HB GLU 123 8.890 8.394 -11.959 748 HG2 GLU 123 1HG GLU 123 7.223 9.841 -10.611 749 HG3 GLU 123 2HG GLU 123 7.577 8.722 -9.296 Start of MODEL 8 1 HA2 GLY 26 1HA GLY 26 11.079 17.840 -0.195 2 HA3 GLY 26 2HA GLY 26 11.781 18.385 1.322 3 H ALA 27 H ALA 27 8.721 17.969 2.119 4 HA ALA 27 HA ALA 27 9.026 15.098 2.747 5 HB1 ALA 27 3HB ALA 27 9.378 16.325 4.768 6 HB2 ALA 27 1HB ALA 27 7.781 15.579 4.861 7 HB3 ALA 27 2HB ALA 27 7.931 17.297 4.493 8 H MET 28 H MET 28 7.578 16.520 0.541 9 HA MET 28 HA MET 28 4.777 16.123 1.138 10 HB2 MET 28 1HB MET 28 6.265 17.579 -0.787 11 HB3 MET 28 2HB MET 28 5.244 16.448 -1.665 12 HG2 MET 28 1HG MET 28 4.222 18.315 0.459 13 HG3 MET 28 2HG MET 28 4.243 18.700 -1.262 14 HE1 MET 28 3HE MET 28 1.732 18.327 1.067 15 HE2 MET 28 1HE MET 28 2.545 16.867 1.627 16 HE3 MET 28 2HE MET 28 0.930 16.763 0.925 17 H GLY 29 H GLY 29 5.180 13.811 1.701 18 HA2 GLY 29 1HA GLY 29 4.058 11.840 0.715 19 HA3 GLY 29 2HA GLY 29 5.009 12.132 -0.732 20 H GLN 30 H GLN 30 5.032 9.665 0.368 21 HA GLN 30 HA GLN 30 7.654 9.510 1.710 22 HB2 GLN 30 1HB GLN 30 5.168 7.855 2.009 23 HB3 GLN 30 2HB GLN 30 6.740 7.182 2.419 24 HG2 GLN 30 1HG GLN 30 6.040 7.974 4.452 25 HG3 GLN 30 2HG GLN 30 6.983 9.340 3.859 26 HE21 GLN 30 2HE2 GLN 30 5.587 10.349 5.585 27 HE22 GLN 30 1HE2 GLN 30 4.067 11.003 5.078 28 H LYS 31 H LYS 31 9.234 8.604 0.582 29 HA LYS 31 HA LYS 31 8.620 7.266 -1.926 30 HB2 LYS 31 1HB LYS 31 10.520 9.061 -1.352 31 HB3 LYS 31 2HB LYS 31 11.426 7.598 -1.001 32 HG2 LYS 31 1HG LYS 31 11.202 6.812 -3.215 33 HG3 LYS 31 2HG LYS 31 9.980 8.026 -3.598 34 HD2 LYS 31 1HD LYS 31 12.464 9.205 -2.652 35 HD3 LYS 31 2HD LYS 31 12.691 8.221 -4.100 36 HE2 LYS 31 1HE LYS 31 10.929 9.471 -5.235 37 HE3 LYS 31 2HE LYS 31 10.669 10.439 -3.783 38 HZ1 LYS 31 3HZ LYS 31 12.501 10.880 -5.848 39 HZ2 LYS 31 1HZ LYS 31 13.388 10.551 -4.446 40 HZ3 LYS 31 2HZ LYS 31 12.255 11.807 -4.455 41 H ALA 32 H ALA 32 8.661 5.135 -2.202 42 HA ALA 32 HA ALA 32 9.165 3.382 -0.005 43 HB1 ALA 32 3HB ALA 32 8.657 1.588 -1.620 44 HB2 ALA 32 1HB ALA 32 8.631 2.789 -2.913 45 HB3 ALA 32 2HB ALA 32 7.436 2.864 -1.618 46 H GLN 33 H GLN 33 10.709 1.613 0.016 47 HA GLN 33 HA GLN 33 13.307 2.514 -0.854 48 HB2 GLN 33 1HB GLN 33 14.204 0.671 0.414 49 HB3 GLN 33 2HB GLN 33 12.977 1.484 1.368 50 HG2 GLN 33 1HG GLN 33 11.403 -0.352 0.442 51 HG3 GLN 33 2HG GLN 33 12.902 -1.211 0.085 52 HE21 GLN 33 2HE2 GLN 33 13.115 -2.731 1.577 53 HE22 GLN 33 1HE2 GLN 33 12.944 -2.506 3.280 54 H GLN 34 H GLN 34 14.489 1.813 -2.512 55 HA GLN 34 HA GLN 34 13.245 -0.063 -4.367 56 HB2 GLN 34 1HB GLN 34 15.745 1.592 -4.758 57 HB3 GLN 34 2HB GLN 34 14.833 0.749 -6.002 58 HG2 GLN 34 1HG GLN 34 12.877 2.285 -5.163 59 HG3 GLN 34 2HG GLN 34 14.207 3.284 -4.580 60 HE21 GLN 34 2HE2 GLN 34 15.238 4.566 -5.981 61 HE22 GLN 34 1HE2 GLN 34 14.975 4.579 -7.687 62 H LYS 35 H LYS 35 13.681 -2.138 -4.016 63 HA LYS 35 HA LYS 35 16.258 -2.943 -2.916 64 HB2 LYS 35 1HB LYS 35 13.971 -4.762 -3.651 65 HB3 LYS 35 2HB LYS 35 15.279 -5.071 -2.520 66 HG2 LYS 35 1HG LYS 35 13.571 -2.752 -1.902 67 HG3 LYS 35 2HG LYS 35 12.803 -4.335 -1.785 68 HD2 LYS 35 1HD LYS 35 15.425 -4.361 -0.575 69 HD3 LYS 35 2HD LYS 35 14.418 -3.095 0.126 70 HE2 LYS 35 1HE LYS 35 13.607 -4.725 1.428 71 HE3 LYS 35 2HE LYS 35 12.681 -5.199 0.006 72 HZ1 LYS 35 3HZ LYS 35 14.181 -6.906 1.275 73 HZ2 LYS 35 1HZ LYS 35 15.399 -6.248 0.302 74 HZ3 LYS 35 2HZ LYS 35 14.038 -6.969 -0.417 75 H ASN 36 H ASN 36 16.253 -5.576 -4.114 76 HA ASN 36 HA ASN 36 17.645 -4.906 -6.555 77 HB2 ASN 36 1HB ASN 36 18.039 -6.802 -4.622 78 HB3 ASN 36 2HB ASN 36 17.316 -7.755 -5.915 79 HD21 ASN 36 2HD2 ASN 36 19.742 -8.475 -5.357 80 HD22 ASN 36 1HD2 ASN 36 20.892 -7.891 -6.502 81 H GLY 37 H GLY 37 15.773 -4.195 -7.791 82 HA2 GLY 37 1HA GLY 37 14.678 -4.817 -9.805 83 HA3 GLY 37 2HA GLY 37 14.582 -6.465 -9.216 84 H TYR 38 H TYR 38 13.586 -4.810 -6.628 85 HA TYR 38 HA TYR 38 10.861 -4.301 -7.542 86 HB2 TYR 38 1HB TYR 38 9.859 -5.738 -5.844 87 HB3 TYR 38 2HB TYR 38 10.884 -6.682 -6.914 88 HD1 TYR 38 HD2 TYR 38 13.253 -7.257 -6.071 89 HD2 TYR 38 HD1 TYR 38 10.141 -5.850 -3.529 90 HE1 TYR 38 HE2 TYR 38 14.435 -8.181 -4.123 91 HE2 TYR 38 HE1 TYR 38 11.319 -6.771 -1.574 92 HH TYR 38 HH TYR 38 13.558 -9.009 -1.660 93 H GLN 39 H GLN 39 9.493 -3.344 -5.751 94 HA GLN 39 HA GLN 39 11.200 -1.745 -3.948 95 HB2 GLN 39 1HB GLN 39 8.592 -0.585 -4.650 96 HB3 GLN 39 2HB GLN 39 10.161 0.185 -4.490 97 HG2 GLN 39 1HG GLN 39 10.289 -1.435 -6.784 98 HG3 GLN 39 2HG GLN 39 8.754 -0.570 -6.848 99 HE21 GLN 39 2HE2 GLN 39 12.107 -0.378 -7.267 100 HE22 GLN 39 1HE2 GLN 39 12.217 1.319 -7.582 101 H GLU 40 H GLU 40 10.265 -1.081 -1.941 102 HA GLU 40 HA GLU 40 7.859 -2.506 -1.083 103 HB2 GLU 40 1HB GLU 40 9.880 -3.956 -0.659 104 HB3 GLU 40 2HB GLU 40 10.446 -2.729 0.463 105 HG2 GLU 40 1HG GLU 40 7.876 -3.206 1.312 106 HG3 GLU 40 2HG GLU 40 8.435 -4.800 0.806 107 H ILE 41 H ILE 41 6.761 -1.507 0.582 108 HA ILE 41 HA ILE 41 8.020 0.715 1.997 109 HB ILE 41 HB ILE 41 7.075 1.976 0.233 110 HG12 ILE 41 1HG1 ILE 41 4.716 2.573 1.693 111 HG13 ILE 41 2HG1 ILE 41 5.951 2.127 2.862 112 HG21 ILE 41 1HG2 ILE 41 5.302 -0.149 -0.044 113 HG22 ILE 41 2HG2 ILE 41 5.379 1.310 -1.031 114 HG23 ILE 41 3HG2 ILE 41 4.292 1.243 0.360 115 HD11 ILE 41 3HD1 ILE 41 6.116 4.307 0.793 116 HD12 ILE 41 1HD1 ILE 41 7.456 3.806 1.828 117 HD13 ILE 41 2HD1 ILE 41 5.996 4.495 2.544 118 H ARG 42 H ARG 42 7.470 0.734 4.085 119 HA ARG 42 HA ARG 42 5.403 -1.104 4.980 120 HB2 ARG 42 1HB ARG 42 7.883 -0.490 5.980 121 HB3 ARG 42 2HB ARG 42 6.821 0.432 7.036 122 HG2 ARG 42 1HG ARG 42 5.534 -1.641 7.469 123 HG3 ARG 42 2HG ARG 42 6.724 -2.531 6.515 124 HD2 ARG 42 1HD ARG 42 7.772 -2.823 8.477 125 HD3 ARG 42 2HD ARG 42 8.318 -1.164 8.250 126 HE ARG 42 HE ARG 42 6.432 -0.475 9.656 127 HH11 ARG 42 1HH1 ARG 42 7.428 -3.798 9.804 128 HH12 ARG 42 2HH1 ARG 42 6.766 -4.052 11.378 129 HH21 ARG 42 1HH2 ARG 42 5.572 -0.811 11.715 130 HH22 ARG 42 2HH2 ARG 42 5.738 -2.369 12.459 131 H VAL 43 H VAL 43 3.417 -0.399 5.102 132 HA VAL 43 HA VAL 43 2.885 2.416 5.747 133 HB VAL 43 HB VAL 43 0.980 0.318 4.677 134 HG11 VAL 43 1HG1 VAL 43 0.383 2.705 5.910 135 HG12 VAL 43 2HG1 VAL 43 -0.667 1.823 4.801 136 HG13 VAL 43 3HG1 VAL 43 0.365 3.119 4.195 137 HG21 VAL 43 3HG2 VAL 43 1.234 1.421 2.525 138 HG22 VAL 43 1HG2 VAL 43 2.787 0.818 3.101 139 HG23 VAL 43 2HG2 VAL 43 2.409 2.536 3.221 140 H GLU 44 H GLU 44 2.861 2.653 7.896 141 HA GLU 44 HA GLU 44 1.891 0.663 9.700 142 HB2 GLU 44 1HB GLU 44 3.620 2.602 10.077 143 HB3 GLU 44 2HB GLU 44 2.190 3.537 10.488 144 HG2 GLU 44 1HG GLU 44 2.195 2.687 12.526 145 HG3 GLU 44 2HG GLU 44 2.063 1.055 11.871 146 H VAL 45 H VAL 45 -0.154 0.173 9.953 147 HA VAL 45 HA VAL 45 -2.234 2.128 9.342 148 HB VAL 45 HB VAL 45 -2.268 -0.864 9.705 149 HG11 VAL 45 1HG1 VAL 45 -4.691 -0.715 9.057 150 HG12 VAL 45 2HG1 VAL 45 -4.605 1.004 9.447 151 HG13 VAL 45 3HG1 VAL 45 -4.305 -0.199 10.700 152 HG21 VAL 45 3HG2 VAL 45 -2.680 -0.991 7.425 153 HG22 VAL 45 1HG2 VAL 45 -1.526 0.338 7.546 154 HG23 VAL 45 2HG2 VAL 45 -3.244 0.678 7.337 155 H MET 46 H MET 46 -2.407 3.435 11.089 156 HA MET 46 HA MET 46 -3.520 2.223 13.505 157 HB2 MET 46 1HB MET 46 -2.139 3.999 14.821 158 HB3 MET 46 2HB MET 46 -1.376 2.490 14.348 159 HG2 MET 46 1HG MET 46 -0.554 3.756 12.290 160 HG3 MET 46 2HG MET 46 -1.029 5.213 13.160 161 HE1 MET 46 3HE MET 46 0.472 6.414 14.835 162 HE2 MET 46 1HE MET 46 1.436 5.533 16.021 163 HE3 MET 46 2HE MET 46 -0.304 5.264 15.924 164 H GLY 47 H GLY 47 -5.517 3.010 12.764 165 HA2 GLY 47 1HA GLY 47 -7.238 4.563 13.014 166 HA3 GLY 47 2HA GLY 47 -6.044 5.773 13.475 167 H GLY 48 H GLY 48 -4.914 4.332 10.781 168 HA2 GLY 48 1HA GLY 48 -6.263 5.087 8.562 169 HA3 GLY 48 2HA GLY 48 -5.510 6.585 9.096 170 H TYR 49 H TYR 49 -4.436 6.318 6.928 171 HA TYR 49 HA TYR 49 -2.283 4.340 6.916 172 HB2 TYR 49 1HB TYR 49 -3.013 6.359 4.781 173 HB3 TYR 49 2HB TYR 49 -1.918 4.994 4.602 174 HD1 TYR 49 HD2 TYR 49 -3.275 2.715 5.617 175 HD2 TYR 49 HD1 TYR 49 -4.932 6.048 3.555 176 HE1 TYR 49 HE2 TYR 49 -5.160 1.317 4.878 177 HE2 TYR 49 HE1 TYR 49 -6.819 4.661 2.814 178 HH TYR 49 HH TYR 49 -7.620 1.775 4.159 179 H THR 50 H THR 50 -0.275 4.834 7.592 180 HA THR 50 HA THR 50 0.369 7.406 8.561 181 HB THR 50 HB THR 50 2.132 5.016 8.029 182 HG1 THR 50 HG1 THR 50 0.786 4.709 9.775 183 HG21 THR 50 3HG2 THR 50 2.931 7.499 9.541 184 HG22 THR 50 1HG2 THR 50 3.383 7.206 7.861 185 HG23 THR 50 2HG2 THR 50 3.940 6.113 9.129 186 HA PRO 51 HA PRO 51 3.001 8.232 4.684 187 HB2 PRO 51 1HB PRO 51 3.146 6.447 2.668 188 HB3 PRO 51 2HB PRO 51 4.238 6.386 4.056 189 HG2 PRO 51 1HG PRO 51 1.786 4.765 3.505 190 HG3 PRO 51 2HG PRO 51 3.347 4.247 4.167 191 HD2 PRO 51 1HD PRO 51 1.152 4.725 5.714 192 HD3 PRO 51 2HD PRO 51 2.820 4.935 6.284 193 H GLU 52 H GLU 52 1.376 9.695 4.289 194 HA GLU 52 HA GLU 52 -1.138 9.278 3.243 195 HB2 GLU 52 1HB GLU 52 -0.956 11.676 2.408 196 HB3 GLU 52 2HB GLU 52 -0.678 11.412 4.124 197 HG2 GLU 52 1HG GLU 52 1.807 11.219 2.724 198 HG3 GLU 52 2HG GLU 52 0.988 12.712 2.268 199 H LEU 53 H LEU 53 1.851 9.899 1.416 200 HA LEU 53 HA LEU 53 0.512 8.817 -0.957 201 HB2 LEU 53 1HB LEU 53 2.486 10.773 -1.711 202 HB3 LEU 53 2HB LEU 53 0.812 10.637 -2.197 203 HG LEU 53 HG LEU 53 1.397 11.829 0.467 204 HD11 LEU 53 1HD1 LEU 53 2.865 13.229 -0.547 205 HD12 LEU 53 2HD1 LEU 53 1.372 14.048 -1.007 206 HD13 LEU 53 3HD1 LEU 53 2.174 12.971 -2.149 207 HD21 LEU 53 3HD2 LEU 53 -0.572 13.154 -0.070 208 HD22 LEU 53 1HD2 LEU 53 -0.913 11.437 -0.275 209 HD23 LEU 53 2HD2 LEU 53 -0.623 12.452 -1.686 210 H ILE 54 H ILE 54 1.566 7.064 -1.626 211 HA ILE 54 HA ILE 54 4.389 6.759 -0.882 212 HB ILE 54 HB ILE 54 4.039 4.376 -1.742 213 HG12 ILE 54 1HG1 ILE 54 1.154 5.269 -1.560 214 HG13 ILE 54 2HG1 ILE 54 1.993 4.696 -2.993 215 HG21 ILE 54 1HG2 ILE 54 3.667 5.555 0.726 216 HG22 ILE 54 2HG2 ILE 54 3.864 3.832 0.403 217 HG23 ILE 54 3HG2 ILE 54 2.246 4.526 0.532 218 HD11 ILE 54 3HD1 ILE 54 2.318 2.629 -1.212 219 HD12 ILE 54 1HD1 ILE 54 1.130 2.710 -2.514 220 HD13 ILE 54 2HD1 ILE 54 0.684 3.208 -0.880 221 H VAL 55 H VAL 55 5.978 6.980 -2.293 222 HA VAL 55 HA VAL 55 5.296 7.257 -5.133 223 HB VAL 55 HB VAL 55 7.831 8.020 -3.670 224 HG11 VAL 55 1HG1 VAL 55 8.779 8.047 -5.683 225 HG12 VAL 55 2HG1 VAL 55 7.723 9.407 -6.067 226 HG13 VAL 55 3HG1 VAL 55 7.237 7.766 -6.492 227 HG21 VAL 55 3HG2 VAL 55 5.476 9.633 -4.625 228 HG22 VAL 55 1HG2 VAL 55 7.027 10.350 -4.188 229 HG23 VAL 55 2HG2 VAL 55 6.089 9.475 -2.977 230 H LEU 56 H LEU 56 5.781 5.758 -6.569 231 HA LEU 56 HA LEU 56 7.955 3.852 -6.022 232 HB2 LEU 56 1HB LEU 56 5.184 3.107 -6.972 233 HB3 LEU 56 2HB LEU 56 6.542 2.004 -6.847 234 HG LEU 56 HG LEU 56 5.900 3.416 -4.349 235 HD11 LEU 56 1HD1 LEU 56 3.913 1.617 -5.693 236 HD12 LEU 56 2HD1 LEU 56 3.647 3.190 -4.939 237 HD13 LEU 56 3HD1 LEU 56 3.992 1.780 -3.939 238 HD21 LEU 56 3HD2 LEU 56 5.962 0.468 -4.642 239 HD22 LEU 56 1HD2 LEU 56 6.649 1.497 -3.387 240 HD23 LEU 56 2HD2 LEU 56 7.455 1.355 -4.949 241 H LYS 57 H LYS 57 8.552 2.575 -8.008 242 HA LYS 57 HA LYS 57 8.704 4.378 -10.280 243 HB2 LYS 57 1HB LYS 57 10.252 2.162 -9.251 244 HB3 LYS 57 2HB LYS 57 9.930 1.953 -10.966 245 HG2 LYS 57 1HG LYS 57 10.758 4.659 -10.340 246 HG3 LYS 57 2HG LYS 57 11.950 3.461 -9.835 247 HD2 LYS 57 1HD LYS 57 12.650 3.660 -11.974 248 HD3 LYS 57 2HD LYS 57 11.344 2.517 -12.286 249 HE2 LYS 57 1HE LYS 57 10.596 4.031 -13.750 250 HE3 LYS 57 2HE LYS 57 10.047 4.933 -12.339 251 HZ1 LYS 57 3HZ LYS 57 11.752 5.862 -14.219 252 HZ2 LYS 57 1HZ LYS 57 12.814 5.380 -12.991 253 HZ3 LYS 57 2HZ LYS 57 11.588 6.508 -12.655 254 H LYS 58 H LYS 58 8.645 3.111 -12.529 255 HA LYS 58 HA LYS 58 5.981 1.865 -12.634 256 HB2 LYS 58 1HB LYS 58 6.334 4.011 -13.873 257 HB3 LYS 58 2HB LYS 58 7.501 3.177 -14.892 258 HG2 LYS 58 1HG LYS 58 5.732 1.630 -15.617 259 HG3 LYS 58 2HG LYS 58 4.572 2.524 -14.636 260 HD2 LYS 58 1HD LYS 58 4.201 3.652 -16.551 261 HD3 LYS 58 2HD LYS 58 5.659 4.533 -16.091 262 HE2 LYS 58 1HE LYS 58 6.872 2.600 -17.367 263 HE3 LYS 58 2HE LYS 58 5.298 2.382 -18.132 264 HZ1 LYS 58 3HZ LYS 58 6.385 5.092 -18.032 265 HZ2 LYS 58 1HZ LYS 58 5.454 4.343 -19.230 266 HZ3 LYS 58 2HZ LYS 58 7.106 4.007 -19.108 267 H SER 59 H SER 59 5.587 0.034 -13.859 268 HA SER 59 HA SER 59 5.958 -2.022 -14.739 269 HB2 SER 59 1HB SER 59 6.959 -0.767 -16.608 270 HB3 SER 59 2HB SER 59 8.523 -0.808 -15.797 271 HG SER 59 HG SER 59 8.288 -3.161 -15.869 272 H VAL 60 H VAL 60 6.974 -1.328 -12.061 273 HA VAL 60 HA VAL 60 8.980 -3.472 -11.799 274 HB VAL 60 HB VAL 60 9.884 -1.164 -11.397 275 HG11 VAL 60 1HG1 VAL 60 8.008 -0.092 -10.382 276 HG12 VAL 60 2HG1 VAL 60 9.333 -0.107 -9.218 277 HG13 VAL 60 3HG1 VAL 60 8.001 -1.252 -9.054 278 HG21 VAL 60 3HG2 VAL 60 9.936 -3.110 -9.100 279 HG22 VAL 60 1HG2 VAL 60 11.026 -1.734 -9.265 280 HG23 VAL 60 2HG2 VAL 60 11.055 -3.029 -10.461 281 HA PRO 61 HA PRO 61 5.983 -5.426 -9.128 282 HB2 PRO 61 1HB PRO 61 7.683 -7.122 -7.829 283 HB3 PRO 61 2HB PRO 61 7.076 -7.411 -9.461 284 HG2 PRO 61 1HG PRO 61 9.710 -6.287 -8.590 285 HG3 PRO 61 2HG PRO 61 9.360 -7.454 -9.882 286 HD2 PRO 61 1HD PRO 61 9.837 -4.846 -10.388 287 HD3 PRO 61 2HD PRO 61 8.703 -5.806 -11.362 288 H ALA 62 H ALA 62 5.462 -3.663 -7.775 289 HA ALA 62 HA ALA 62 7.201 -3.174 -5.466 290 HB1 ALA 62 3HB ALA 62 5.137 -1.391 -5.250 291 HB2 ALA 62 1HB ALA 62 5.294 -1.585 -6.995 292 HB3 ALA 62 2HB ALA 62 6.685 -1.080 -6.035 293 H ARG 63 H ARG 63 6.615 -3.571 -3.376 294 HA ARG 63 HA ARG 63 3.974 -4.789 -2.972 295 HB2 ARG 63 1HB ARG 63 4.916 -6.297 -1.333 296 HB3 ARG 63 2HB ARG 63 5.717 -6.481 -2.884 297 HG2 ARG 63 1HG ARG 63 7.236 -4.603 -1.518 298 HG3 ARG 63 2HG ARG 63 6.819 -5.833 -0.323 299 HD2 ARG 63 1HD ARG 63 8.931 -6.216 -1.650 300 HD3 ARG 63 2HD ARG 63 7.785 -7.551 -1.600 301 HE ARG 63 HE ARG 63 7.910 -5.700 -3.887 302 HH11 ARG 63 1HH1 ARG 63 7.974 -8.927 -2.602 303 HH12 ARG 63 2HH1 ARG 63 7.917 -9.674 -4.159 304 HH21 ARG 63 1HH2 ARG 63 7.862 -6.681 -5.909 305 HH22 ARG 63 2HH2 ARG 63 7.859 -8.412 -6.019 306 H ILE 64 H ILE 64 2.725 -3.961 -1.488 307 HA ILE 64 HA ILE 64 3.808 -1.855 0.253 308 HB ILE 64 HB ILE 64 0.879 -2.423 -0.087 309 HG12 ILE 64 1HG1 ILE 64 1.959 -2.225 -2.356 310 HG13 ILE 64 2HG1 ILE 64 0.742 -1.002 -2.013 311 HG21 ILE 64 1HG2 ILE 64 0.571 -0.190 0.578 312 HG22 ILE 64 2HG2 ILE 64 2.263 0.215 0.292 313 HG23 ILE 64 3HG2 ILE 64 1.823 -0.830 1.644 314 HD11 ILE 64 3HD1 ILE 64 3.404 -0.635 -2.852 315 HD12 ILE 64 1HD1 ILE 64 3.291 -0.014 -1.203 316 HD13 ILE 64 2HD1 ILE 64 2.204 0.596 -2.453 317 H VAL 65 H VAL 65 4.304 -2.440 2.278 318 HA VAL 65 HA VAL 65 3.049 -4.804 3.455 319 HB VAL 65 HB VAL 65 5.163 -3.130 4.791 320 HG11 VAL 65 1HG1 VAL 65 4.675 -6.099 4.909 321 HG12 VAL 65 2HG1 VAL 65 3.937 -4.946 6.021 322 HG13 VAL 65 3HG1 VAL 65 5.691 -5.125 5.971 323 HG21 VAL 65 3HG2 VAL 65 6.111 -5.470 3.304 324 HG22 VAL 65 1HG2 VAL 65 6.829 -3.868 3.483 325 HG23 VAL 65 2HG2 VAL 65 5.557 -4.136 2.292 326 H PHE 66 H PHE 66 1.162 -4.477 4.471 327 HA PHE 66 HA PHE 66 0.711 -1.942 5.867 328 HB2 PHE 66 1HB PHE 66 -1.135 -4.195 5.078 329 HB3 PHE 66 2HB PHE 66 -1.648 -2.861 6.107 330 HD1 PHE 66 HD2 PHE 66 -1.436 -0.503 5.184 331 HD2 PHE 66 HD1 PHE 66 -1.161 -3.989 2.758 332 HE1 PHE 66 HE2 PHE 66 -1.920 0.852 3.189 333 HE2 PHE 66 HE1 PHE 66 -1.644 -2.639 0.759 334 HZ PHE 66 HZ PHE 66 -2.023 -0.215 0.976 335 H ASP 67 H ASP 67 1.288 -1.821 7.911 336 HA ASP 67 HA ASP 67 1.263 -4.234 9.586 337 HB2 ASP 67 1HB ASP 67 3.374 -2.994 9.525 338 HB3 ASP 67 2HB ASP 67 2.546 -1.524 10.023 339 H ARG 68 H ARG 68 -0.681 -4.525 10.540 340 HA ARG 68 HA ARG 68 -2.380 -2.297 11.187 341 HB2 ARG 68 1HB ARG 68 -3.216 -4.538 10.420 342 HB3 ARG 68 2HB ARG 68 -2.768 -5.175 11.998 343 HG2 ARG 68 1HG ARG 68 -4.792 -4.601 12.700 344 HG3 ARG 68 2HG ARG 68 -4.282 -2.920 12.567 345 HD2 ARG 68 1HD ARG 68 -6.104 -2.816 11.224 346 HD3 ARG 68 2HD ARG 68 -4.931 -3.349 10.021 347 HE ARG 68 HE ARG 68 -5.863 -5.501 10.095 348 HH11 ARG 68 1HH1 ARG 68 -7.522 -3.295 12.199 349 HH12 ARG 68 2HH1 ARG 68 -8.912 -4.312 12.358 350 HH21 ARG 68 1HH2 ARG 68 -7.658 -6.816 10.308 351 HH22 ARG 68 2HH2 ARG 68 -8.997 -6.298 11.292 352 H LYS 69 H LYS 69 -1.825 -1.034 12.800 353 HA LYS 69 HA LYS 69 -0.832 -2.191 15.307 354 HB2 LYS 69 1HB LYS 69 0.593 -0.460 14.609 355 HB3 LYS 69 2HB LYS 69 -0.740 0.550 14.076 356 HG2 LYS 69 1HG LYS 69 0.148 1.555 16.017 357 HG3 LYS 69 2HG LYS 69 -1.379 0.807 16.493 358 HD2 LYS 69 1HD LYS 69 0.204 -1.232 17.051 359 HD3 LYS 69 2HD LYS 69 1.412 0.047 17.188 360 HE2 LYS 69 1HE LYS 69 0.635 -0.002 19.341 361 HE3 LYS 69 2HE LYS 69 -0.459 1.192 18.646 362 HZ1 LYS 69 3HZ LYS 69 -1.872 -0.961 18.148 363 HZ2 LYS 69 1HZ LYS 69 -1.948 -0.176 19.654 364 HZ3 LYS 69 2HZ LYS 69 -0.997 -1.562 19.476 365 H ASP 70 H ASP 70 -3.456 -0.315 13.932 366 HA ASP 70 HA ASP 70 -4.835 -0.337 16.538 367 HB2 ASP 70 1HB ASP 70 -4.370 1.848 15.152 368 HB3 ASP 70 2HB ASP 70 -5.764 1.318 14.218 369 HA PRO 71 HA PRO 71 -7.577 -3.342 14.698 370 HB2 PRO 71 1HB PRO 71 -9.222 -3.695 16.764 371 HB3 PRO 71 2HB PRO 71 -7.530 -4.200 16.855 372 HG2 PRO 71 1HG PRO 71 -8.825 -1.717 17.930 373 HG3 PRO 71 2HG PRO 71 -7.665 -2.802 18.723 374 HD2 PRO 71 1HD PRO 71 -6.969 -0.442 17.510 375 HD3 PRO 71 2HD PRO 71 -5.865 -1.819 17.698 376 H SER 72 H SER 72 -8.063 -0.594 13.939 377 HA SER 72 HA SER 72 -10.765 0.143 14.417 378 HB2 SER 72 1HB SER 72 -9.164 1.822 13.704 379 HB3 SER 72 2HB SER 72 -8.863 0.947 12.202 380 HG SER 72 HG SER 72 -10.597 2.826 12.531 381 HA PRO 73 HA PRO 73 -12.856 -2.714 11.722 382 HB2 PRO 73 1HB PRO 73 -15.180 -1.311 11.409 383 HB3 PRO 73 2HB PRO 73 -14.793 -2.255 12.853 384 HG2 PRO 73 1HG PRO 73 -14.512 0.691 12.382 385 HG3 PRO 73 2HG PRO 73 -15.148 -0.158 13.806 386 HD2 PRO 73 1HD PRO 73 -12.652 0.833 13.759 387 HD3 PRO 73 2HD PRO 73 -13.028 -0.694 14.586 388 H CYS 74 H CYS 74 -12.490 0.687 10.921 389 HA CYS 74 HA CYS 74 -13.263 0.366 8.168 390 HB2 CYS 74 1HB CYS 74 -12.428 2.577 9.917 391 HB3 CYS 74 2HB CYS 74 -11.892 2.735 8.247 392 HG CYS 74 HG CYS 74 -14.139 3.504 7.264 393 H LEU 75 H LEU 75 -10.491 -0.368 9.917 394 HA LEU 75 HA LEU 75 -8.777 -0.156 7.532 395 HB2 LEU 75 1HB LEU 75 -8.144 -0.200 10.469 396 HB3 LEU 75 2HB LEU 75 -6.916 -0.515 9.257 397 HG LEU 75 HG LEU 75 -8.551 2.012 9.236 398 HD11 LEU 75 1HD1 LEU 75 -7.569 2.555 11.165 399 HD12 LEU 75 2HD1 LEU 75 -6.094 2.715 10.213 400 HD13 LEU 75 3HD1 LEU 75 -6.429 1.212 11.071 401 HD21 LEU 75 3HD2 LEU 75 -6.189 2.668 8.201 402 HD22 LEU 75 1HD2 LEU 75 -7.490 1.984 7.225 403 HD23 LEU 75 2HD2 LEU 75 -6.181 0.950 7.803 404 H ASP 76 H ASP 76 -10.731 -2.343 8.738 405 HA ASP 76 HA ASP 76 -9.122 -4.628 9.212 406 HB2 ASP 76 1HB ASP 76 -11.649 -4.149 9.741 407 HB3 ASP 76 2HB ASP 76 -11.912 -4.846 8.147 408 H GLN 77 H GLN 77 -10.687 -3.367 6.299 409 HA GLN 77 HA GLN 77 -9.190 -5.363 4.731 410 HB2 GLN 77 1HB GLN 77 -11.932 -5.191 4.889 411 HB3 GLN 77 2HB GLN 77 -11.578 -4.259 3.441 412 HG2 GLN 77 1HG GLN 77 -11.088 -6.076 2.252 413 HG3 GLN 77 2HG GLN 77 -10.143 -6.790 3.558 414 HE21 GLN 77 2HE2 GLN 77 -13.457 -6.218 2.484 415 HE22 GLN 77 1HE2 GLN 77 -14.118 -7.642 3.202 416 H ILE 78 H ILE 78 -8.306 -4.694 2.765 417 HA ILE 78 HA ILE 78 -8.444 -1.810 2.194 418 HB ILE 78 HB ILE 78 -6.316 -2.121 3.293 419 HG12 ILE 78 1HG1 ILE 78 -5.043 -1.987 0.738 420 HG13 ILE 78 2HG1 ILE 78 -6.618 -1.212 0.611 421 HG21 ILE 78 1HG2 ILE 78 -5.852 -4.412 3.127 422 HG22 ILE 78 2HG2 ILE 78 -4.590 -3.627 2.178 423 HG23 ILE 78 3HG2 ILE 78 -5.957 -4.395 1.367 424 HD11 ILE 78 3HD1 ILE 78 -4.632 0.239 1.242 425 HD12 ILE 78 1HD1 ILE 78 -4.711 -0.545 2.821 426 HD13 ILE 78 2HD1 ILE 78 -6.089 0.383 2.227 427 H VAL 79 H VAL 79 -8.854 -1.333 0.129 428 HA VAL 79 HA VAL 79 -8.318 -3.376 -1.903 429 HB VAL 79 HB VAL 79 -10.630 -3.699 -1.520 430 HG11 VAL 79 1HG1 VAL 79 -12.269 -1.842 -1.588 431 HG12 VAL 79 2HG1 VAL 79 -10.921 -0.706 -1.618 432 HG13 VAL 79 3HG1 VAL 79 -11.156 -1.760 -0.224 433 HG21 VAL 79 3HG2 VAL 79 -10.374 -1.857 -3.898 434 HG22 VAL 79 1HG2 VAL 79 -11.674 -3.020 -3.620 435 HG23 VAL 79 2HG2 VAL 79 -10.024 -3.587 -3.884 436 H PHE 80 H PHE 80 -7.429 -2.660 -3.694 437 HA PHE 80 HA PHE 80 -6.960 0.207 -3.990 438 HB2 PHE 80 1HB PHE 80 -5.726 -2.292 -5.091 439 HB3 PHE 80 2HB PHE 80 -5.531 -0.793 -5.985 440 HD1 PHE 80 HD1 PHE 80 -5.117 -2.165 -2.545 441 HD2 PHE 80 HD2 PHE 80 -3.737 0.564 -5.505 442 HE1 PHE 80 HE1 PHE 80 -3.222 -1.562 -1.096 443 HE2 PHE 80 HE2 PHE 80 -1.837 1.176 -4.060 444 HZ PHE 80 HZ PHE 80 -1.578 0.110 -1.854 445 HA PRO 81 HA PRO 81 -10.530 -0.065 -6.819 446 HB2 PRO 81 1HB PRO 81 -10.838 2.628 -7.093 447 HB3 PRO 81 2HB PRO 81 -11.490 1.701 -5.739 448 HG2 PRO 81 1HG PRO 81 -9.003 3.354 -5.883 449 HG3 PRO 81 2HG PRO 81 -10.191 3.229 -4.573 450 HD2 PRO 81 1HD PRO 81 -7.812 1.945 -4.517 451 HD3 PRO 81 2HD PRO 81 -9.274 1.279 -3.761 452 H ASP 82 H ASP 82 -7.427 1.359 -7.301 453 HA ASP 82 HA ASP 82 -7.985 1.803 -10.142 454 HB2 ASP 82 1HB ASP 82 -5.669 2.637 -8.391 455 HB3 ASP 82 2HB ASP 82 -5.710 2.883 -10.134 456 H PHE 83 H PHE 83 -6.781 -0.629 -8.165 457 HA PHE 83 HA PHE 83 -5.232 -1.763 -10.404 458 HB2 PHE 83 1HB PHE 83 -4.719 -1.867 -7.446 459 HB3 PHE 83 2HB PHE 83 -4.060 -3.101 -8.515 460 HD1 PHE 83 HD1 PHE 83 -4.088 0.523 -7.801 461 HD2 PHE 83 HD2 PHE 83 -2.161 -2.674 -9.841 462 HE1 PHE 83 HE1 PHE 83 -2.212 2.010 -8.349 463 HE2 PHE 83 HE2 PHE 83 -0.276 -1.190 -10.392 464 HZ PHE 83 HZ PHE 83 -0.305 1.159 -9.645 465 H GLY 84 H GLY 84 -7.819 -2.236 -8.171 466 HA2 GLY 84 1HA GLY 84 -9.488 -3.852 -8.244 467 HA3 GLY 84 2HA GLY 84 -8.595 -4.677 -9.515 468 H VAL 85 H VAL 85 -7.146 -3.799 -6.470 469 HA VAL 85 HA VAL 85 -6.905 -6.659 -5.811 470 HB VAL 85 HB VAL 85 -5.075 -4.330 -5.238 471 HG11 VAL 85 1HG1 VAL 85 -4.363 -5.330 -3.395 472 HG12 VAL 85 2HG1 VAL 85 -3.844 -6.698 -4.379 473 HG13 VAL 85 3HG1 VAL 85 -5.454 -6.691 -3.659 474 HG21 VAL 85 3HG2 VAL 85 -4.785 -5.243 -7.429 475 HG22 VAL 85 1HG2 VAL 85 -4.747 -6.890 -6.793 476 HG23 VAL 85 2HG2 VAL 85 -3.432 -5.772 -6.429 477 H HIS 86 H HIS 86 -8.166 -7.292 -4.187 478 HA HIS 86 HA HIS 86 -8.660 -5.423 -1.952 479 HB2 HIS 86 1HB HIS 86 -10.767 -6.922 -1.609 480 HB3 HIS 86 2HB HIS 86 -10.789 -5.683 -2.855 481 HD1 HIS 86 HD1 HIS 86 -9.545 -9.293 -2.924 482 HD2 HIS 86 HD2 HIS 86 -12.136 -6.741 -4.943 483 HE1 HIS 86 HE1 HIS 86 -10.487 -10.650 -4.824 484 H ALA 87 H ALA 87 -7.893 -6.060 -0.011 485 HA ALA 87 HA ALA 87 -7.613 -8.928 0.536 486 HB1 ALA 87 3HB ALA 87 -5.267 -7.916 1.580 487 HB2 ALA 87 1HB ALA 87 -5.406 -7.117 0.013 488 HB3 ALA 87 2HB ALA 87 -5.427 -8.878 0.112 489 H ASN 88 H ASN 88 -7.176 -9.421 2.797 490 HA ASN 88 HA ASN 88 -8.381 -7.422 4.586 491 HB2 ASN 88 1HB ASN 88 -9.500 -9.660 4.355 492 HB3 ASN 88 2HB ASN 88 -8.063 -10.396 5.053 493 HD21 ASN 88 2HD2 ASN 88 -10.917 -8.551 5.655 494 HD22 ASN 88 1HD2 ASN 88 -10.803 -8.556 7.384 495 H LEU 89 H LEU 89 -7.339 -6.746 6.434 496 HA LEU 89 HA LEU 89 -4.513 -7.526 6.624 497 HB2 LEU 89 1HB LEU 89 -5.860 -5.158 7.918 498 HB3 LEU 89 2HB LEU 89 -4.138 -5.461 7.799 499 HG LEU 89 HG LEU 89 -5.949 -4.913 5.446 500 HD11 LEU 89 1HD1 LEU 89 -4.504 -2.776 5.418 501 HD12 LEU 89 2HD1 LEU 89 -4.208 -3.144 7.116 502 HD13 LEU 89 3HD1 LEU 89 -5.856 -2.876 6.546 503 HD21 LEU 89 3HD2 LEU 89 -3.009 -5.423 5.732 504 HD22 LEU 89 1HD2 LEU 89 -3.652 -4.492 4.378 505 HD23 LEU 89 2HD2 LEU 89 -4.163 -6.162 4.620 506 HA PRO 90 HA PRO 90 -5.555 -9.625 10.417 507 HB2 PRO 90 1HB PRO 90 -3.108 -10.638 10.918 508 HB3 PRO 90 2HB PRO 90 -4.149 -11.274 9.642 509 HG2 PRO 90 1HG PRO 90 -1.774 -9.490 9.436 510 HG3 PRO 90 2HG PRO 90 -2.322 -10.765 8.336 511 HD2 PRO 90 1HD PRO 90 -2.717 -8.033 7.982 512 HD3 PRO 90 2HD PRO 90 -3.616 -9.321 7.158 513 H MET 91 H MET 91 -5.751 -8.768 12.392 514 HA MET 91 HA MET 91 -4.358 -6.440 13.189 515 HB2 MET 91 1HB MET 91 -6.607 -6.862 13.975 516 HB3 MET 91 2HB MET 91 -6.090 -8.342 14.772 517 HG2 MET 91 1HG MET 91 -6.420 -6.512 16.352 518 HG3 MET 91 2HG MET 91 -4.752 -7.075 16.333 519 HE1 MET 91 3HE MET 91 -3.646 -3.531 16.915 520 HE2 MET 91 1HE MET 91 -3.128 -5.217 16.940 521 HE3 MET 91 2HE MET 91 -4.591 -4.732 17.796 522 H GLY 92 H GLY 92 -2.467 -6.185 14.155 523 HA2 GLY 92 1HA GLY 92 -0.708 -6.607 15.624 524 HA3 GLY 92 2HA GLY 92 -1.417 -8.172 15.983 525 H GLU 93 H GLU 93 -1.234 -7.718 12.662 526 HA GLU 93 HA GLU 93 1.441 -8.915 12.478 527 HB2 GLU 93 1HB GLU 93 -1.054 -9.990 11.154 528 HB3 GLU 93 2HB GLU 93 0.578 -10.536 10.795 529 HG2 GLU 93 1HG GLU 93 -0.446 -10.632 13.596 530 HG3 GLU 93 2HG GLU 93 -0.917 -11.875 12.438 531 H GLU 94 H GLU 94 1.977 -9.160 9.984 532 HA GLU 94 HA GLU 94 1.283 -6.583 8.730 533 HB2 GLU 94 1HB GLU 94 3.841 -8.173 8.666 534 HB3 GLU 94 2HB GLU 94 3.513 -6.871 7.534 535 HG2 GLU 94 1HG GLU 94 4.383 -5.473 9.010 536 HG3 GLU 94 2HG GLU 94 2.990 -5.786 10.044 537 H TYR 95 H TYR 95 0.501 -6.551 6.719 538 HA TYR 95 HA TYR 95 0.463 -9.079 5.190 539 HB2 TYR 95 1HB TYR 95 -1.764 -8.168 6.219 540 HB3 TYR 95 2HB TYR 95 -1.698 -7.013 4.893 541 HD1 TYR 95 HD1 TYR 95 -1.916 -10.606 5.725 542 HD2 TYR 95 HD2 TYR 95 -2.249 -7.665 2.670 543 HE1 TYR 95 HE1 TYR 95 -2.929 -12.278 4.235 544 HE2 TYR 95 HE2 TYR 95 -3.263 -9.327 1.171 545 HH TYR 95 HH TYR 95 -3.233 -11.868 0.949 546 H VAL 96 H VAL 96 1.376 -8.962 3.217 547 HA VAL 96 HA VAL 96 2.013 -6.285 2.207 548 HB VAL 96 HB VAL 96 3.826 -8.072 2.699 549 HG11 VAL 96 1HG1 VAL 96 4.009 -9.880 1.418 550 HG12 VAL 96 2HG1 VAL 96 3.813 -8.938 -0.060 551 HG13 VAL 96 3HG1 VAL 96 2.393 -9.514 0.813 552 HG21 VAL 96 3HG2 VAL 96 3.653 -6.305 0.290 553 HG22 VAL 96 1HG2 VAL 96 5.108 -7.242 0.630 554 HG23 VAL 96 2HG2 VAL 96 4.532 -6.054 1.798 555 H VAL 97 H VAL 97 1.474 -5.580 0.236 556 HA VAL 97 HA VAL 97 -0.182 -7.350 -1.451 557 HB VAL 97 HB VAL 97 -0.369 -4.361 -1.027 558 HG11 VAL 97 1HG1 VAL 97 -0.630 -4.957 -3.430 559 HG12 VAL 97 2HG1 VAL 97 -2.086 -4.268 -2.711 560 HG13 VAL 97 3HG1 VAL 97 -1.972 -6.008 -2.981 561 HG21 VAL 97 3HG2 VAL 97 -2.152 -6.691 -0.406 562 HG22 VAL 97 1HG2 VAL 97 -2.776 -5.044 -0.504 563 HG23 VAL 97 2HG2 VAL 97 -1.537 -5.449 0.684 564 H GLU 98 H GLU 98 0.970 -8.003 -3.152 565 HA GLU 98 HA GLU 98 3.067 -6.284 -4.242 566 HB2 GLU 98 1HB GLU 98 2.414 -9.189 -4.431 567 HB3 GLU 98 2HB GLU 98 3.325 -8.456 -5.743 568 HG2 GLU 98 1HG GLU 98 5.152 -7.991 -4.395 569 HG3 GLU 98 2HG GLU 98 4.194 -8.065 -2.914 570 H ILE 99 H ILE 99 2.672 -4.986 -5.898 571 HA ILE 99 HA ILE 99 0.721 -5.823 -7.943 572 HB ILE 99 HB ILE 99 0.351 -3.167 -8.062 573 HG12 ILE 99 1HG1 ILE 99 0.601 -3.716 -5.096 574 HG13 ILE 99 2HG1 ILE 99 1.805 -2.840 -6.035 575 HG21 ILE 99 1HG2 ILE 99 -1.142 -5.073 -6.264 576 HG22 ILE 99 2HG2 ILE 99 -1.404 -4.838 -7.993 577 HG23 ILE 99 3HG2 ILE 99 -1.761 -3.533 -6.863 578 HD11 ILE 99 3HD1 ILE 99 0.679 -0.965 -5.752 579 HD12 ILE 99 1HD1 ILE 99 -0.504 -1.835 -4.776 580 HD13 ILE 99 2HD1 ILE 99 -0.744 -1.676 -6.517 581 H THR 100 H THR 100 1.007 -4.795 -10.028 582 HA THR 100 HA THR 100 3.753 -3.799 -10.440 583 HB THR 100 HB THR 100 2.239 -5.377 -12.511 584 HG1 THR 100 HG1 THR 100 3.760 -6.274 -10.317 585 HG21 THR 100 3HG2 THR 100 5.211 -5.026 -12.147 586 HG22 THR 100 1HG2 THR 100 4.228 -3.932 -13.123 587 HG23 THR 100 2HG2 THR 100 4.354 -5.635 -13.564 588 HA PRO 101 HA PRO 101 1.085 -0.461 -12.041 589 HB2 PRO 101 1HB PRO 101 2.818 1.538 -11.533 590 HB3 PRO 101 2HB PRO 101 1.802 0.831 -10.271 591 HG2 PRO 101 1HG PRO 101 4.681 0.303 -10.901 592 HG3 PRO 101 2HG PRO 101 3.907 0.526 -9.323 593 HD2 PRO 101 1HD PRO 101 4.522 -1.917 -10.352 594 HD3 PRO 101 2HD PRO 101 3.166 -1.644 -9.241 595 H GLU 102 H GLU 102 1.139 -0.936 -14.225 596 HA GLU 102 HA GLU 102 3.610 -0.445 -15.708 597 HB2 GLU 102 1HB GLU 102 0.965 -1.550 -16.666 598 HB3 GLU 102 2HB GLU 102 2.446 -1.468 -17.608 599 HG2 GLU 102 1HG GLU 102 3.278 -3.319 -16.680 600 HG3 GLU 102 2HG GLU 102 2.760 -2.855 -15.061 601 H GLN 103 H GLN 103 1.883 1.712 -14.535 602 HA GLN 103 HA GLN 103 1.842 3.403 -16.899 603 HB2 GLN 103 1HB GLN 103 -0.543 2.267 -15.936 604 HB3 GLN 103 2HB GLN 103 -0.551 3.931 -15.367 605 HG2 GLN 103 1HG GLN 103 -0.169 4.698 -17.672 606 HG3 GLN 103 2HG GLN 103 -0.241 3.025 -18.220 607 HE21 GLN 103 2HE2 GLN 103 -2.107 2.563 -19.119 608 HE22 GLN 103 1HE2 GLN 103 -3.650 3.167 -18.639 609 H ALA 104 H ALA 104 2.589 5.383 -16.439 610 HA ALA 104 HA ALA 104 3.205 6.019 -13.673 611 HB1 ALA 104 3HB ALA 104 3.951 8.096 -15.506 612 HB2 ALA 104 1HB ALA 104 4.441 6.525 -16.140 613 HB3 ALA 104 2HB ALA 104 4.978 7.036 -14.539 614 H GLY 105 H GLY 105 2.099 7.367 -12.437 615 HA2 GLY 105 1HA GLY 105 0.958 9.773 -13.053 616 HA3 GLY 105 2HA GLY 105 -0.301 8.604 -13.418 617 H GLU 106 H GLU 106 -1.519 9.710 -11.752 618 HA GLU 106 HA GLU 106 -0.636 9.157 -9.012 619 HB2 GLU 106 1HB GLU 106 -2.308 11.226 -10.269 620 HB3 GLU 106 2HB GLU 106 -2.932 10.614 -8.743 621 HG2 GLU 106 1HG GLU 106 -1.128 11.392 -7.538 622 HG3 GLU 106 2HG GLU 106 -0.073 11.442 -8.949 623 H PHE 107 H PHE 107 -1.491 7.580 -7.878 624 HA PHE 107 HA PHE 107 -4.053 6.401 -8.758 625 HB2 PHE 107 1HB PHE 107 -1.592 5.072 -7.612 626 HB3 PHE 107 2HB PHE 107 -3.144 4.254 -7.755 627 HD1 PHE 107 HD1 PHE 107 -0.292 5.646 -9.586 628 HD2 PHE 107 HD2 PHE 107 -3.981 3.556 -9.890 629 HE1 PHE 107 HE1 PHE 107 0.259 5.019 -11.901 630 HE2 PHE 107 HE2 PHE 107 -3.440 2.924 -12.205 631 HZ PHE 107 HZ PHE 107 -1.318 3.656 -13.214 632 H SER 108 H SER 108 -5.177 5.184 -6.895 633 HA SER 108 HA SER 108 -4.650 6.411 -4.294 634 HB2 SER 108 1HB SER 108 -6.959 7.137 -4.015 635 HB3 SER 108 2HB SER 108 -6.267 7.889 -5.452 636 HG SER 108 HG SER 108 -7.274 5.919 -6.538 637 H PHE 109 H PHE 109 -5.657 5.384 -2.514 638 HA PHE 109 HA PHE 109 -7.092 2.900 -2.967 639 HB2 PHE 109 1HB PHE 109 -5.558 1.588 -1.501 640 HB3 PHE 109 2HB PHE 109 -4.837 2.065 -3.031 641 HD1 PHE 109 HD2 PHE 109 -3.055 3.756 -3.094 642 HD2 PHE 109 HD1 PHE 109 -4.732 2.415 0.587 643 HE1 PHE 109 HE2 PHE 109 -1.145 4.711 -1.875 644 HE2 PHE 109 HE1 PHE 109 -2.819 3.365 1.807 645 HZ PHE 109 HZ PHE 109 -1.024 4.515 0.576 646 H ALA 110 H ALA 110 -8.630 2.593 -1.486 647 HA ALA 110 HA ALA 110 -8.374 3.432 1.246 648 HB1 ALA 110 3HB ALA 110 -9.894 5.109 -0.686 649 HB2 ALA 110 1HB ALA 110 -8.959 5.584 0.733 650 HB3 ALA 110 2HB ALA 110 -10.566 4.883 0.929 651 H CYS 111 H CYS 111 -10.248 2.821 2.552 652 HA CYS 111 HA CYS 111 -12.353 1.285 1.306 653 HB2 CYS 111 1HB CYS 111 -10.295 -0.246 1.552 654 HB3 CYS 111 2HB CYS 111 -10.620 -0.184 3.281 655 HG CYS 111 HG CYS 111 -11.587 -2.593 2.102 656 H GLY 112 H GLY 112 -13.926 0.457 2.923 657 HA2 GLY 112 1HA GLY 112 -15.010 0.520 4.994 658 HA3 GLY 112 2HA GLY 112 -13.737 1.564 5.603 659 H MET 113 H MET 113 -13.765 3.833 4.846 660 HA MET 113 HA MET 113 -16.450 4.768 4.105 661 HB2 MET 113 1HB MET 113 -15.270 5.028 6.677 662 HB3 MET 113 2HB MET 113 -15.297 6.627 5.947 663 HG2 MET 113 1HG MET 113 -17.730 6.241 5.452 664 HG3 MET 113 2HG MET 113 -17.623 4.796 6.458 665 HE1 MET 113 3HE MET 113 -17.728 8.620 6.257 666 HE2 MET 113 1HE MET 113 -18.482 8.945 7.818 667 HE3 MET 113 2HE MET 113 -19.282 7.887 6.657 668 H ASN 114 H ASN 114 -16.300 7.313 3.823 669 HA ASN 114 HA ASN 114 -14.277 7.729 1.786 670 HB2 ASN 114 1HB ASN 114 -15.568 10.018 1.650 671 HB3 ASN 114 2HB ASN 114 -16.286 8.548 1.004 672 HD21 ASN 114 2HD2 ASN 114 -18.381 9.194 1.235 673 HD22 ASN 114 1HD2 ASN 114 -19.141 9.419 2.768 674 H MET 115 H MET 115 -14.196 8.049 5.010 675 HA MET 115 HA MET 115 -12.916 10.642 5.190 676 HB2 MET 115 1HB MET 115 -13.402 8.459 7.222 677 HB3 MET 115 2HB MET 115 -12.572 9.963 7.595 678 HG2 MET 115 1HG MET 115 -14.808 10.943 6.482 679 HG3 MET 115 2HG MET 115 -15.434 9.435 7.146 680 HE1 MET 115 3HE MET 115 -15.219 8.716 9.586 681 HE2 MET 115 1HE MET 115 -16.683 9.685 9.425 682 HE3 MET 115 2HE MET 115 -15.625 9.912 10.818 683 H MET 116 H MET 116 -11.941 7.592 4.261 684 HA MET 116 HA MET 116 -9.318 7.557 5.425 685 HB2 MET 116 1HB MET 116 -10.573 5.973 3.183 686 HB3 MET 116 2HB MET 116 -8.932 5.708 3.754 687 HG2 MET 116 1HG MET 116 -10.710 5.704 5.985 688 HG3 MET 116 2HG MET 116 -11.324 4.609 4.747 689 HE1 MET 116 3HE MET 116 -7.789 5.749 5.860 690 HE2 MET 116 1HE MET 116 -7.149 4.317 6.670 691 HE3 MET 116 2HE MET 116 -8.461 5.235 7.409 692 H HIS 117 H HIS 117 -7.312 7.717 4.224 693 HA HIS 117 HA HIS 117 -7.448 9.165 1.693 694 HB2 HIS 117 1HB HIS 117 -6.789 10.382 4.243 695 HB3 HIS 117 2HB HIS 117 -5.473 10.549 3.087 696 HD1 HIS 117 HD1 HIS 117 -9.163 10.654 2.239 697 HD2 HIS 117 HD2 HIS 117 -5.856 13.178 2.391 698 HE1 HIS 117 HE1 HIS 117 -9.916 12.824 1.207 699 H GLY 118 H GLY 118 -6.321 7.820 0.441 700 HA2 GLY 118 1HA GLY 118 -3.532 7.267 1.190 701 HA3 GLY 118 2HA GLY 118 -4.562 5.927 0.711 702 H LYS 119 H LYS 119 -2.312 8.101 -0.388 703 HA LYS 119 HA LYS 119 -3.302 7.861 -3.159 704 HB2 LYS 119 1HB LYS 119 -3.165 10.193 -2.090 705 HB3 LYS 119 2HB LYS 119 -1.422 10.017 -2.232 706 HG2 LYS 119 1HG LYS 119 -1.444 10.223 -4.499 707 HG3 LYS 119 2HG LYS 119 -3.059 9.530 -4.658 708 HD2 LYS 119 1HD LYS 119 -3.861 11.596 -4.864 709 HD3 LYS 119 2HD LYS 119 -3.380 11.903 -3.195 710 HE2 LYS 119 1HE LYS 119 -1.417 12.947 -3.812 711 HE3 LYS 119 2HE LYS 119 -1.360 12.143 -5.380 712 HZ1 LYS 119 3HZ LYS 119 -3.668 13.811 -5.084 713 HZ2 LYS 119 1HZ LYS 119 -2.512 13.780 -6.330 714 HZ3 LYS 119 2HZ LYS 119 -2.226 14.681 -4.918 715 H MET 120 H MET 120 -1.815 7.440 -4.802 716 HA MET 120 HA MET 120 0.879 6.603 -3.959 717 HB2 MET 120 1HB MET 120 -0.664 4.639 -4.121 718 HB3 MET 120 2HB MET 120 -0.908 5.024 -5.816 719 HG2 MET 120 1HG MET 120 1.140 4.267 -6.425 720 HG3 MET 120 2HG MET 120 1.874 4.674 -4.878 721 HE1 MET 120 3HE MET 120 0.704 1.694 -7.045 722 HE2 MET 120 1HE MET 120 -0.785 2.501 -6.552 723 HE3 MET 120 2HE MET 120 -0.425 0.879 -5.962 724 H ILE 121 H ILE 121 2.492 7.182 -5.350 725 HA ILE 121 HA ILE 121 1.651 8.319 -7.945 726 HB ILE 121 HB ILE 121 3.881 9.269 -6.137 727 HG12 ILE 121 1HG1 ILE 121 2.357 11.442 -6.750 728 HG13 ILE 121 2HG1 ILE 121 1.134 10.175 -6.737 729 HG21 ILE 121 1HG2 ILE 121 4.650 9.362 -8.426 730 HG22 ILE 121 2HG2 ILE 121 4.290 10.994 -7.861 731 HG23 ILE 121 3HG2 ILE 121 3.158 10.159 -8.928 732 HD11 ILE 121 3HD1 ILE 121 3.054 10.617 -4.473 733 HD12 ILE 121 1HD1 ILE 121 1.584 9.641 -4.483 734 HD13 ILE 121 2HD1 ILE 121 1.478 11.400 -4.577 735 H VAL 122 H VAL 122 2.363 7.225 -9.634 736 HA VAL 122 HA VAL 122 4.722 5.499 -9.306 737 HB VAL 122 HB VAL 122 2.511 5.388 -11.365 738 HG11 VAL 122 1HG1 VAL 122 3.575 3.687 -12.451 739 HG12 VAL 122 2HG1 VAL 122 4.459 3.174 -11.013 740 HG13 VAL 122 3HG1 VAL 122 4.982 4.601 -11.908 741 HG21 VAL 122 3HG2 VAL 122 3.063 3.195 -9.438 742 HG22 VAL 122 1HG2 VAL 122 1.538 3.710 -10.160 743 HG23 VAL 122 2HG2 VAL 122 2.247 4.637 -8.837 744 H GLU 123 H GLU 123 6.568 6.148 -10.166 745 HA GLU 123 HA GLU 123 6.725 8.424 -11.898 746 HB2 GLU 123 1HB GLU 123 8.454 7.143 -10.159 747 HB3 GLU 123 2HB GLU 123 9.142 6.795 -11.739 748 HG2 GLU 123 1HG GLU 123 8.811 9.359 -12.119 749 HG3 GLU 123 2HG GLU 123 8.789 9.410 -10.358 Start of MODEL 9 1 HA2 GLY 26 1HA GLY 26 -1.031 15.837 -0.187 2 HA3 GLY 26 2HA GLY 26 0.387 15.633 -1.206 3 H ALA 27 H ALA 27 0.892 18.353 0.497 4 HA ALA 27 HA ALA 27 2.191 18.984 2.248 5 HB1 ALA 27 3HB ALA 27 0.933 16.520 3.389 6 HB2 ALA 27 1HB ALA 27 0.648 18.213 3.794 7 HB3 ALA 27 2HB ALA 27 2.142 17.425 4.300 8 H MET 28 H MET 28 2.845 15.620 3.027 9 HA MET 28 HA MET 28 5.485 15.827 1.763 10 HB2 MET 28 1HB MET 28 5.172 16.261 4.448 11 HB3 MET 28 2HB MET 28 5.525 14.540 4.404 12 HG2 MET 28 1HG MET 28 7.653 15.223 4.473 13 HG3 MET 28 2HG MET 28 7.435 15.472 2.742 14 HE1 MET 28 3HE MET 28 8.740 17.359 1.922 15 HE2 MET 28 1HE MET 28 8.235 19.021 2.234 16 HE3 MET 28 2HE MET 28 7.076 17.848 1.606 17 H GLY 29 H GLY 29 5.540 14.178 0.379 18 HA2 GLY 29 1HA GLY 29 4.086 11.727 0.895 19 HA3 GLY 29 2HA GLY 29 4.993 12.117 -0.557 20 H GLN 30 H GLN 30 5.160 9.608 0.434 21 HA GLN 30 HA GLN 30 7.834 9.541 1.681 22 HB2 GLN 30 1HB GLN 30 5.417 8.304 2.522 23 HB3 GLN 30 2HB GLN 30 6.504 7.032 1.984 24 HG2 GLN 30 1HG GLN 30 7.295 9.166 3.949 25 HG3 GLN 30 2HG GLN 30 6.626 7.603 4.418 26 HE21 GLN 30 2HE2 GLN 30 7.950 5.889 4.537 27 HE22 GLN 30 1HE2 GLN 30 9.616 5.900 4.091 28 H LYS 31 H LYS 31 9.403 8.496 0.640 29 HA LYS 31 HA LYS 31 8.781 7.298 -1.946 30 HB2 LYS 31 1HB LYS 31 10.940 8.831 -0.905 31 HB3 LYS 31 2HB LYS 31 11.582 7.264 -1.379 32 HG2 LYS 31 1HG LYS 31 10.994 7.558 -3.607 33 HG3 LYS 31 2HG LYS 31 9.825 8.826 -3.231 34 HD2 LYS 31 1HD LYS 31 12.584 9.425 -2.426 35 HD3 LYS 31 2HD LYS 31 12.345 9.264 -4.167 36 HE2 LYS 31 1HE LYS 31 10.637 10.950 -4.149 37 HE3 LYS 31 2HE LYS 31 10.656 11.015 -2.387 38 HZ1 LYS 31 3HZ LYS 31 12.890 11.889 -2.456 39 HZ2 LYS 31 1HZ LYS 31 11.874 12.860 -3.398 40 HZ3 LYS 31 2HZ LYS 31 12.929 11.769 -4.143 41 H ALA 32 H ALA 32 8.726 5.168 -2.267 42 HA ALA 32 HA ALA 32 9.162 3.335 -0.129 43 HB1 ALA 32 3HB ALA 32 8.657 1.604 -1.831 44 HB2 ALA 32 1HB ALA 32 8.640 2.869 -3.062 45 HB3 ALA 32 2HB ALA 32 7.449 2.890 -1.760 46 H GLN 33 H GLN 33 10.676 1.580 -0.066 47 HA GLN 33 HA GLN 33 13.300 2.403 -0.944 48 HB2 GLN 33 1HB GLN 33 14.173 0.790 0.509 49 HB3 GLN 33 2HB GLN 33 12.736 1.374 1.330 50 HG2 GLN 33 1HG GLN 33 11.551 -0.591 0.893 51 HG3 GLN 33 2HG GLN 33 12.675 -1.093 -0.368 52 HE21 GLN 33 2HE2 GLN 33 15.062 -0.547 1.111 53 HE22 GLN 33 1HE2 GLN 33 15.175 -1.739 2.353 54 H GLN 34 H GLN 34 14.620 1.416 -2.401 55 HA GLN 34 HA GLN 34 13.306 -0.417 -4.266 56 HB2 GLN 34 1HB GLN 34 15.914 1.084 -4.580 57 HB3 GLN 34 2HB GLN 34 15.075 0.180 -5.833 58 HG2 GLN 34 1HG GLN 34 13.128 1.789 -5.425 59 HG3 GLN 34 2HG GLN 34 14.301 2.779 -4.560 60 HE21 GLN 34 2HE2 GLN 34 16.149 3.540 -5.740 61 HE22 GLN 34 1HE2 GLN 34 16.038 3.789 -7.445 62 H LYS 35 H LYS 35 13.646 -2.512 -4.014 63 HA LYS 35 HA LYS 35 16.065 -3.429 -2.639 64 HB2 LYS 35 1HB LYS 35 13.653 -5.069 -3.412 65 HB3 LYS 35 2HB LYS 35 14.907 -5.493 -2.257 66 HG2 LYS 35 1HG LYS 35 13.489 -2.999 -1.652 67 HG3 LYS 35 2HG LYS 35 12.486 -4.451 -1.615 68 HD2 LYS 35 1HD LYS 35 15.043 -4.859 -0.301 69 HD3 LYS 35 2HD LYS 35 14.139 -3.524 0.415 70 HE2 LYS 35 1HE LYS 35 12.254 -5.538 0.013 71 HE3 LYS 35 2HE LYS 35 13.687 -6.371 0.607 72 HZ1 LYS 35 3HZ LYS 35 13.519 -5.408 2.623 73 HZ2 LYS 35 1HZ LYS 35 11.883 -5.246 2.199 74 HZ3 LYS 35 2HZ LYS 35 12.945 -3.927 2.018 75 H ASN 36 H ASN 36 15.715 -6.145 -3.807 76 HA ASN 36 HA ASN 36 17.470 -5.767 -6.064 77 HB2 ASN 36 1HB ASN 36 17.490 -7.614 -4.178 78 HB3 ASN 36 2HB ASN 36 16.420 -8.453 -5.296 79 HD21 ASN 36 2HD2 ASN 36 17.209 -9.077 -7.320 80 HD22 ASN 36 1HD2 ASN 36 18.904 -9.199 -7.629 81 H GLY 37 H GLY 37 15.737 -4.652 -7.356 82 HA2 GLY 37 1HA GLY 37 14.774 -4.978 -9.502 83 HA3 GLY 37 2HA GLY 37 14.473 -6.655 -9.086 84 H TYR 38 H TYR 38 13.428 -5.124 -6.442 85 HA TYR 38 HA TYR 38 10.821 -4.341 -7.521 86 HB2 TYR 38 1HB TYR 38 9.614 -5.714 -5.902 87 HB3 TYR 38 2HB TYR 38 10.624 -6.725 -6.925 88 HD1 TYR 38 HD2 TYR 38 12.784 -7.632 -5.979 89 HD2 TYR 38 HD1 TYR 38 9.856 -5.722 -3.552 90 HE1 TYR 38 HE2 TYR 38 13.774 -8.665 -3.981 91 HE2 TYR 38 HE1 TYR 38 10.839 -6.753 -1.548 92 HH TYR 38 HH TYR 38 12.456 -8.037 -0.741 93 H GLN 39 H GLN 39 9.446 -3.252 -5.846 94 HA GLN 39 HA GLN 39 11.181 -1.788 -3.960 95 HB2 GLN 39 1HB GLN 39 8.634 -0.507 -4.632 96 HB3 GLN 39 2HB GLN 39 10.249 0.176 -4.538 97 HG2 GLN 39 1HG GLN 39 10.318 -1.412 -6.805 98 HG3 GLN 39 2HG GLN 39 8.725 -0.660 -6.846 99 HE21 GLN 39 2HE2 GLN 39 12.082 -0.214 -7.249 100 HE22 GLN 39 1HE2 GLN 39 12.045 1.466 -7.651 101 H GLU 40 H GLU 40 10.312 -1.148 -1.941 102 HA GLU 40 HA GLU 40 7.845 -2.484 -1.092 103 HB2 GLU 40 1HB GLU 40 9.817 -3.984 -0.644 104 HB3 GLU 40 2HB GLU 40 10.419 -2.761 0.466 105 HG2 GLU 40 1HG GLU 40 7.912 -3.088 1.409 106 HG3 GLU 40 2HG GLU 40 8.231 -4.700 0.777 107 H ILE 41 H ILE 41 6.739 -1.454 0.520 108 HA ILE 41 HA ILE 41 8.022 0.785 1.904 109 HB ILE 41 HB ILE 41 7.034 1.983 0.125 110 HG12 ILE 41 1HG1 ILE 41 4.709 2.653 1.560 111 HG13 ILE 41 2HG1 ILE 41 5.888 2.162 2.767 112 HG21 ILE 41 1HG2 ILE 41 4.840 1.676 -0.737 113 HG22 ILE 41 2HG2 ILE 41 4.418 0.566 0.568 114 HG23 ILE 41 3HG2 ILE 41 5.602 0.086 -0.651 115 HD11 ILE 41 3HD1 ILE 41 7.490 3.776 1.711 116 HD12 ILE 41 1HD1 ILE 41 6.087 4.503 2.494 117 HD13 ILE 41 2HD1 ILE 41 6.142 4.361 0.734 118 H ARG 42 H ARG 42 7.527 0.840 3.998 119 HA ARG 42 HA ARG 42 5.518 -0.991 5.014 120 HB2 ARG 42 1HB ARG 42 8.006 -0.250 5.922 121 HB3 ARG 42 2HB ARG 42 6.933 0.670 6.969 122 HG2 ARG 42 1HG ARG 42 6.250 -1.152 8.080 123 HG3 ARG 42 2HG ARG 42 6.168 -2.138 6.619 124 HD2 ARG 42 1HD ARG 42 8.653 -2.288 6.660 125 HD3 ARG 42 2HD ARG 42 8.634 -1.450 8.211 126 HE ARG 42 HE ARG 42 6.961 -3.759 8.227 127 HH11 ARG 42 1HH1 ARG 42 10.260 -2.718 8.473 128 HH12 ARG 42 2HH1 ARG 42 10.752 -4.092 9.397 129 HH21 ARG 42 1HH2 ARG 42 7.606 -5.556 9.435 130 HH22 ARG 42 2HH2 ARG 42 9.262 -5.687 9.940 131 H VAL 43 H VAL 43 3.507 -0.278 5.017 132 HA VAL 43 HA VAL 43 2.949 2.531 5.683 133 HB VAL 43 HB VAL 43 1.089 0.439 4.522 134 HG11 VAL 43 1HG1 VAL 43 -0.579 1.892 4.754 135 HG12 VAL 43 2HG1 VAL 43 0.379 3.187 4.032 136 HG13 VAL 43 3HG1 VAL 43 0.490 2.867 5.765 137 HG21 VAL 43 3HG2 VAL 43 2.455 2.739 3.133 138 HG22 VAL 43 1HG2 VAL 43 1.397 1.533 2.400 139 HG23 VAL 43 2HG2 VAL 43 2.972 1.054 3.033 140 H GLU 44 H GLU 44 2.853 2.749 7.826 141 HA GLU 44 HA GLU 44 1.866 0.726 9.586 142 HB2 GLU 44 1HB GLU 44 3.574 2.675 10.009 143 HB3 GLU 44 2HB GLU 44 2.129 3.588 10.419 144 HG2 GLU 44 1HG GLU 44 2.454 2.801 12.473 145 HG3 GLU 44 2HG GLU 44 1.754 1.308 11.850 146 H VAL 45 H VAL 45 -0.174 0.243 9.908 147 HA VAL 45 HA VAL 45 -2.257 2.199 9.279 148 HB VAL 45 HB VAL 45 -2.296 -0.800 9.574 149 HG11 VAL 45 1HG1 VAL 45 -4.583 1.116 9.574 150 HG12 VAL 45 2HG1 VAL 45 -4.347 -0.355 10.519 151 HG13 VAL 45 3HG1 VAL 45 -4.757 -0.463 8.807 152 HG21 VAL 45 3HG2 VAL 45 -2.621 -0.886 7.304 153 HG22 VAL 45 1HG2 VAL 45 -1.595 0.543 7.437 154 HG23 VAL 45 2HG2 VAL 45 -3.338 0.725 7.238 155 H MET 46 H MET 46 -2.492 3.469 11.030 156 HA MET 46 HA MET 46 -3.624 2.221 13.410 157 HB2 MET 46 1HB MET 46 -2.248 3.950 14.788 158 HB3 MET 46 2HB MET 46 -1.485 2.449 14.286 159 HG2 MET 46 1HG MET 46 -0.652 3.781 12.261 160 HG3 MET 46 2HG MET 46 -1.099 5.204 13.198 161 HE1 MET 46 3HE MET 46 0.274 6.241 15.010 162 HE2 MET 46 1HE MET 46 1.382 5.357 16.059 163 HE3 MET 46 2HE MET 46 -0.336 4.961 16.059 164 H GLY 47 H GLY 47 -5.608 3.039 12.712 165 HA2 GLY 47 1HA GLY 47 -7.309 4.612 12.972 166 HA3 GLY 47 2HA GLY 47 -6.098 5.807 13.426 167 H GLY 48 H GLY 48 -5.023 4.332 10.718 168 HA2 GLY 48 1HA GLY 48 -6.378 5.121 8.515 169 HA3 GLY 48 2HA GLY 48 -5.588 6.601 9.039 170 H TYR 49 H TYR 49 -4.321 6.605 7.110 171 HA TYR 49 HA TYR 49 -2.275 4.492 6.984 172 HB2 TYR 49 1HB TYR 49 -3.075 6.484 4.846 173 HB3 TYR 49 2HB TYR 49 -1.922 5.165 4.656 174 HD1 TYR 49 HD2 TYR 49 -2.860 2.766 5.107 175 HD2 TYR 49 HD1 TYR 49 -5.298 6.150 4.271 176 HE1 TYR 49 HE2 TYR 49 -4.691 1.272 4.428 177 HE2 TYR 49 HE1 TYR 49 -7.136 4.666 3.592 178 HH TYR 49 HH TYR 49 -7.211 1.397 4.280 179 H THR 50 H THR 50 -0.214 4.976 7.507 180 HA THR 50 HA THR 50 0.426 7.545 8.524 181 HB THR 50 HB THR 50 2.193 5.166 7.961 182 HG1 THR 50 HG1 THR 50 0.822 4.838 9.694 183 HG21 THR 50 3HG2 THR 50 3.375 7.438 7.859 184 HG22 THR 50 1HG2 THR 50 4.013 6.248 8.996 185 HG23 THR 50 2HG2 THR 50 3.000 7.570 9.579 186 HA PRO 51 HA PRO 51 3.049 8.425 4.657 187 HB2 PRO 51 1HB PRO 51 3.255 6.645 2.642 188 HB3 PRO 51 2HB PRO 51 4.327 6.598 4.046 189 HG2 PRO 51 1HG PRO 51 1.899 4.949 3.462 190 HG3 PRO 51 2HG PRO 51 3.462 4.441 4.124 191 HD2 PRO 51 1HD PRO 51 1.267 4.875 5.673 192 HD3 PRO 51 2HD PRO 51 2.929 5.122 6.243 193 H GLU 52 H GLU 52 1.381 9.857 4.245 194 HA GLU 52 HA GLU 52 -1.099 9.371 3.155 195 HB2 GLU 52 1HB GLU 52 -0.954 11.770 2.289 196 HB3 GLU 52 2HB GLU 52 -0.739 11.522 4.016 197 HG2 GLU 52 1HG GLU 52 1.803 11.383 2.724 198 HG3 GLU 52 2HG GLU 52 0.968 12.849 2.216 199 H LEU 53 H LEU 53 1.902 10.032 1.363 200 HA LEU 53 HA LEU 53 0.589 8.921 -1.015 201 HB2 LEU 53 1HB LEU 53 2.575 10.824 -1.811 202 HB3 LEU 53 2HB LEU 53 0.881 10.753 -2.230 203 HG LEU 53 HG LEU 53 1.603 11.921 0.409 204 HD11 LEU 53 1HD1 LEU 53 1.711 13.571 -2.095 205 HD12 LEU 53 2HD1 LEU 53 3.158 12.838 -1.403 206 HD13 LEU 53 3HD1 LEU 53 2.224 14.001 -0.463 207 HD21 LEU 53 3HD2 LEU 53 -0.380 13.128 0.133 208 HD22 LEU 53 1HD2 LEU 53 -0.754 11.549 -0.559 209 HD23 LEU 53 2HD2 LEU 53 -0.380 12.909 -1.617 210 H ILE 54 H ILE 54 1.633 7.173 -1.690 211 HA ILE 54 HA ILE 54 4.447 6.820 -0.937 212 HB ILE 54 HB ILE 54 4.049 4.452 -1.858 213 HG12 ILE 54 1HG1 ILE 54 1.169 5.299 -1.472 214 HG13 ILE 54 2HG1 ILE 54 1.932 4.976 -3.028 215 HG21 ILE 54 1HG2 ILE 54 3.711 5.609 0.646 216 HG22 ILE 54 2HG2 ILE 54 3.955 3.900 0.284 217 HG23 ILE 54 3HG2 ILE 54 2.320 4.542 0.448 218 HD11 ILE 54 3HD1 ILE 54 2.449 2.683 -1.637 219 HD12 ILE 54 1HD1 ILE 54 1.120 2.918 -2.772 220 HD13 ILE 54 2HD1 ILE 54 0.852 3.138 -1.041 221 H VAL 55 H VAL 55 6.044 7.051 -2.353 222 HA VAL 55 HA VAL 55 5.358 7.376 -5.185 223 HB VAL 55 HB VAL 55 7.892 8.082 -3.698 224 HG11 VAL 55 1HG1 VAL 55 8.915 8.236 -5.659 225 HG12 VAL 55 2HG1 VAL 55 7.728 9.437 -6.169 226 HG13 VAL 55 3HG1 VAL 55 7.446 7.726 -6.492 227 HG21 VAL 55 3HG2 VAL 55 7.202 10.370 -3.923 228 HG22 VAL 55 1HG2 VAL 55 5.891 9.460 -3.171 229 HG23 VAL 55 2HG2 VAL 55 5.796 9.898 -4.877 230 H LEU 56 H LEU 56 5.838 5.911 -6.667 231 HA LEU 56 HA LEU 56 7.971 3.950 -6.154 232 HB2 LEU 56 1HB LEU 56 5.191 3.275 -7.126 233 HB3 LEU 56 2HB LEU 56 6.529 2.147 -7.035 234 HG LEU 56 HG LEU 56 5.883 3.505 -4.501 235 HD11 LEU 56 1HD1 LEU 56 3.999 1.432 -5.607 236 HD12 LEU 56 2HD1 LEU 56 3.639 3.156 -5.511 237 HD13 LEU 56 3HD1 LEU 56 3.911 2.228 -4.035 238 HD21 LEU 56 3HD2 LEU 56 7.516 1.566 -5.013 239 HD22 LEU 56 1HD2 LEU 56 6.066 0.563 -5.000 240 HD23 LEU 56 2HD2 LEU 56 6.513 1.485 -3.564 241 H LYS 57 H LYS 57 8.533 2.692 -8.173 242 HA LYS 57 HA LYS 57 8.661 4.541 -10.426 243 HB2 LYS 57 1HB LYS 57 10.121 2.049 -9.647 244 HB3 LYS 57 2HB LYS 57 10.131 2.553 -11.329 245 HG2 LYS 57 1HG LYS 57 10.745 4.854 -9.876 246 HG3 LYS 57 2HG LYS 57 11.658 3.554 -9.108 247 HD2 LYS 57 1HD LYS 57 11.641 3.951 -12.088 248 HD3 LYS 57 2HD LYS 57 12.782 4.792 -11.037 249 HE2 LYS 57 1HE LYS 57 12.522 1.853 -10.716 250 HE3 LYS 57 2HE LYS 57 13.340 2.445 -12.161 251 HZ1 LYS 57 3HZ LYS 57 15.069 2.283 -10.694 252 HZ2 LYS 57 1HZ LYS 57 14.131 2.686 -9.333 253 HZ3 LYS 57 2HZ LYS 57 14.615 3.890 -10.431 254 H LYS 58 H LYS 58 8.552 3.414 -12.686 255 HA LYS 58 HA LYS 58 6.004 1.952 -12.751 256 HB2 LYS 58 1HB LYS 58 6.258 4.169 -13.962 257 HB3 LYS 58 2HB LYS 58 7.336 3.336 -15.077 258 HG2 LYS 58 1HG LYS 58 5.509 1.766 -15.618 259 HG3 LYS 58 2HG LYS 58 4.439 2.693 -14.568 260 HD2 LYS 58 1HD LYS 58 3.920 3.776 -16.471 261 HD3 LYS 58 2HD LYS 58 5.415 4.659 -16.152 262 HE2 LYS 58 1HE LYS 58 6.103 3.986 -18.162 263 HE3 LYS 58 2HE LYS 58 6.256 2.372 -17.470 264 HZ1 LYS 58 3HZ LYS 58 4.921 2.038 -19.308 265 HZ2 LYS 58 1HZ LYS 58 4.067 3.483 -19.102 266 HZ3 LYS 58 2HZ LYS 58 3.767 2.169 -18.068 267 H SER 59 H SER 59 5.685 0.157 -14.046 268 HA SER 59 HA SER 59 6.140 -1.823 -15.048 269 HB2 SER 59 1HB SER 59 7.158 -0.482 -16.833 270 HB3 SER 59 2HB SER 59 8.694 -0.477 -15.967 271 HG SER 59 HG SER 59 8.505 -2.865 -16.107 272 H VAL 60 H VAL 60 7.220 -1.074 -12.317 273 HA VAL 60 HA VAL 60 9.107 -3.325 -12.074 274 HB VAL 60 HB VAL 60 10.127 -1.030 -11.718 275 HG11 VAL 60 1HG1 VAL 60 8.180 -1.064 -9.456 276 HG12 VAL 60 2HG1 VAL 60 8.582 0.243 -10.573 277 HG13 VAL 60 3HG1 VAL 60 9.714 -0.207 -9.296 278 HG21 VAL 60 3HG2 VAL 60 11.355 -1.698 -9.663 279 HG22 VAL 60 1HG2 VAL 60 11.269 -2.964 -10.889 280 HG23 VAL 60 2HG2 VAL 60 10.219 -3.034 -9.472 281 HA PRO 61 HA PRO 61 6.029 -5.041 -9.340 282 HB2 PRO 61 1HB PRO 61 7.677 -6.763 -7.966 283 HB3 PRO 61 2HB PRO 61 6.983 -7.107 -9.554 284 HG2 PRO 61 1HG PRO 61 9.717 -6.126 -8.849 285 HG3 PRO 61 2HG PRO 61 9.230 -7.306 -10.081 286 HD2 PRO 61 1HD PRO 61 9.873 -4.761 -10.703 287 HD3 PRO 61 2HD PRO 61 8.634 -5.666 -11.596 288 H ALA 62 H ALA 62 5.251 -3.994 -7.612 289 HA ALA 62 HA ALA 62 7.156 -3.196 -5.503 290 HB1 ALA 62 3HB ALA 62 6.647 -1.115 -6.191 291 HB2 ALA 62 1HB ALA 62 5.211 -1.365 -5.197 292 HB3 ALA 62 2HB ALA 62 5.131 -1.616 -6.942 293 H ARG 63 H ARG 63 6.609 -3.614 -3.416 294 HA ARG 63 HA ARG 63 3.962 -4.820 -2.985 295 HB2 ARG 63 1HB ARG 63 4.876 -6.414 -1.482 296 HB3 ARG 63 2HB ARG 63 5.872 -6.443 -2.927 297 HG2 ARG 63 1HG ARG 63 7.370 -4.787 -1.578 298 HG3 ARG 63 2HG ARG 63 6.522 -5.474 -0.194 299 HD2 ARG 63 1HD ARG 63 7.132 -7.752 -1.278 300 HD3 ARG 63 2HD ARG 63 8.345 -6.815 -2.151 301 HE ARG 63 HE ARG 63 9.090 -6.098 0.162 302 HH11 ARG 63 1HH1 ARG 63 7.633 -9.187 -0.462 303 HH12 ARG 63 2HH1 ARG 63 8.393 -9.947 0.892 304 HH21 ARG 63 1HH2 ARG 63 10.063 -7.094 1.927 305 HH22 ARG 63 2HH2 ARG 63 9.762 -8.771 2.234 306 H ILE 64 H ILE 64 2.710 -3.898 -1.574 307 HA ILE 64 HA ILE 64 3.810 -1.800 0.162 308 HB ILE 64 HB ILE 64 0.874 -2.327 -0.167 309 HG12 ILE 64 1HG1 ILE 64 1.988 -2.204 -2.444 310 HG13 ILE 64 2HG1 ILE 64 0.743 -0.996 -2.142 311 HG21 ILE 64 1HG2 ILE 64 1.992 -0.668 1.482 312 HG22 ILE 64 2HG2 ILE 64 0.582 -0.155 0.556 313 HG23 ILE 64 3HG2 ILE 64 2.197 0.343 0.051 314 HD11 ILE 64 3HD1 ILE 64 3.389 -0.589 -2.989 315 HD12 ILE 64 1HD1 ILE 64 3.278 0.054 -1.349 316 HD13 ILE 64 2HD1 ILE 64 2.173 0.627 -2.599 317 H VAL 65 H VAL 65 4.263 -2.332 2.199 318 HA VAL 65 HA VAL 65 3.010 -4.681 3.405 319 HB VAL 65 HB VAL 65 5.113 -2.969 4.712 320 HG11 VAL 65 1HG1 VAL 65 5.227 -5.861 5.025 321 HG12 VAL 65 2HG1 VAL 65 3.700 -5.170 5.575 322 HG13 VAL 65 3HG1 VAL 65 5.224 -4.589 6.246 323 HG21 VAL 65 3HG2 VAL 65 6.780 -3.737 3.422 324 HG22 VAL 65 1HG2 VAL 65 5.510 -4.050 2.239 325 HG23 VAL 65 2HG2 VAL 65 6.071 -5.347 3.295 326 H PHE 66 H PHE 66 1.101 -4.336 4.374 327 HA PHE 66 HA PHE 66 0.644 -1.802 5.778 328 HB2 PHE 66 1HB PHE 66 -1.216 -4.005 4.894 329 HB3 PHE 66 2HB PHE 66 -1.736 -2.676 5.925 330 HD1 PHE 66 HD2 PHE 66 -1.395 -0.301 5.029 331 HD2 PHE 66 HD1 PHE 66 -1.226 -3.780 2.586 332 HE1 PHE 66 HE2 PHE 66 -1.797 1.085 3.037 333 HE2 PHE 66 HE1 PHE 66 -1.626 -2.401 0.589 334 HZ PHE 66 HZ PHE 66 -1.909 0.035 0.814 335 H ASP 67 H ASP 67 1.336 -1.808 7.815 336 HA ASP 67 HA ASP 67 1.152 -4.241 9.433 337 HB2 ASP 67 1HB ASP 67 3.183 -2.575 9.282 338 HB3 ASP 67 2HB ASP 67 2.253 -1.641 10.449 339 H ARG 68 H ARG 68 -0.817 -4.551 10.330 340 HA ARG 68 HA ARG 68 -2.544 -2.356 11.007 341 HB2 ARG 68 1HB ARG 68 -3.364 -4.573 10.188 342 HB3 ARG 68 2HB ARG 68 -2.887 -5.266 11.732 343 HG2 ARG 68 1HG ARG 68 -4.884 -4.736 12.530 344 HG3 ARG 68 2HG ARG 68 -4.462 -3.034 12.352 345 HD2 ARG 68 1HD ARG 68 -5.367 -3.000 10.120 346 HD3 ARG 68 2HD ARG 68 -5.675 -4.735 10.180 347 HE ARG 68 HE ARG 68 -7.179 -2.643 11.561 348 HH11 ARG 68 1HH1 ARG 68 -6.755 -6.021 10.846 349 HH12 ARG 68 2HH1 ARG 68 -8.329 -6.451 11.419 350 HH21 ARG 68 1HH2 ARG 68 -9.244 -3.227 12.261 351 HH22 ARG 68 2HH2 ARG 68 -9.729 -4.892 12.200 352 H LYS 69 H LYS 69 -1.865 -1.106 12.626 353 HA LYS 69 HA LYS 69 -0.936 -2.320 15.124 354 HB2 LYS 69 1HB LYS 69 0.465 -0.552 14.306 355 HB3 LYS 69 2HB LYS 69 -0.912 0.513 14.076 356 HG2 LYS 69 1HG LYS 69 0.276 1.243 16.004 357 HG3 LYS 69 2HG LYS 69 -1.237 0.517 16.546 358 HD2 LYS 69 1HD LYS 69 -0.190 -1.145 17.635 359 HD3 LYS 69 2HD LYS 69 1.011 -1.355 16.360 360 HE2 LYS 69 1HE LYS 69 2.338 0.423 17.193 361 HE3 LYS 69 2HE LYS 69 1.055 0.966 18.274 362 HZ1 LYS 69 3HZ LYS 69 3.111 -0.662 18.959 363 HZ2 LYS 69 1HZ LYS 69 1.843 -1.758 18.727 364 HZ3 LYS 69 2HZ LYS 69 1.671 -0.486 19.829 365 H ASP 70 H ASP 70 -3.557 -0.404 13.792 366 HA ASP 70 HA ASP 70 -4.893 -0.429 16.419 367 HB2 ASP 70 1HB ASP 70 -4.441 1.762 15.039 368 HB3 ASP 70 2HB ASP 70 -5.854 1.243 14.123 369 HA PRO 71 HA PRO 71 -7.662 -3.436 14.627 370 HB2 PRO 71 1HB PRO 71 -9.282 -3.771 16.722 371 HB3 PRO 71 2HB PRO 71 -7.595 -4.297 16.783 372 HG2 PRO 71 1HG PRO 71 -8.836 -1.795 17.876 373 HG3 PRO 71 2HG PRO 71 -7.687 -2.900 18.656 374 HD2 PRO 71 1HD PRO 71 -6.954 -0.557 17.445 375 HD3 PRO 71 2HD PRO 71 -5.882 -1.963 17.587 376 H SER 72 H SER 72 -8.144 -0.672 13.895 377 HA SER 72 HA SER 72 -10.838 0.069 14.400 378 HB2 SER 72 1HB SER 72 -9.254 1.753 13.676 379 HB3 SER 72 2HB SER 72 -8.943 0.876 12.179 380 HG SER 72 HG SER 72 -10.655 2.754 12.448 381 HA PRO 73 HA PRO 73 -12.960 -2.758 11.697 382 HB2 PRO 73 1HB PRO 73 -15.275 -1.346 11.387 383 HB3 PRO 73 2HB PRO 73 -14.891 -2.280 12.836 384 HG2 PRO 73 1HG PRO 73 -14.592 0.660 12.341 385 HG3 PRO 73 2HG PRO 73 -15.232 -0.172 13.773 386 HD2 PRO 73 1HD PRO 73 -12.728 0.802 13.714 387 HD3 PRO 73 2HD PRO 73 -13.116 -0.714 14.558 388 H CYS 74 H CYS 74 -12.541 0.634 10.896 389 HA CYS 74 HA CYS 74 -13.316 0.300 8.136 390 HB2 CYS 74 1HB CYS 74 -12.691 2.514 9.907 391 HB3 CYS 74 2HB CYS 74 -11.909 2.698 8.342 392 HG CYS 74 HG CYS 74 -14.149 2.838 6.849 393 H LEU 75 H LEU 75 -10.573 -0.461 9.886 394 HA LEU 75 HA LEU 75 -8.850 -0.219 7.507 395 HB2 LEU 75 1HB LEU 75 -8.203 -0.153 10.440 396 HB3 LEU 75 2HB LEU 75 -6.974 -0.477 9.232 397 HG LEU 75 HG LEU 75 -8.659 2.014 9.149 398 HD11 LEU 75 1HD1 LEU 75 -6.594 1.299 11.042 399 HD12 LEU 75 2HD1 LEU 75 -7.655 2.710 11.005 400 HD13 LEU 75 3HD1 LEU 75 -6.147 2.713 10.087 401 HD21 LEU 75 3HD2 LEU 75 -6.019 1.208 7.942 402 HD22 LEU 75 1HD2 LEU 75 -6.662 2.850 7.907 403 HD23 LEU 75 2HD2 LEU 75 -7.529 1.545 7.094 404 H ASP 76 H ASP 76 -10.729 -2.416 8.848 405 HA ASP 76 HA ASP 76 -9.077 -4.634 9.397 406 HB2 ASP 76 1HB ASP 76 -11.673 -4.168 9.761 407 HB3 ASP 76 2HB ASP 76 -11.792 -5.071 8.254 408 H GLN 77 H GLN 77 -10.534 -3.483 6.395 409 HA GLN 77 HA GLN 77 -8.944 -5.498 4.951 410 HB2 GLN 77 1HB GLN 77 -11.770 -4.596 4.504 411 HB3 GLN 77 2HB GLN 77 -10.814 -5.204 3.158 412 HG2 GLN 77 1HG GLN 77 -11.300 -7.277 3.744 413 HG3 GLN 77 2HG GLN 77 -10.536 -7.025 5.311 414 HE21 GLN 77 2HE2 GLN 77 -13.165 -8.251 4.101 415 HE22 GLN 77 1HE2 GLN 77 -14.347 -7.776 5.265 416 H ILE 78 H ILE 78 -8.329 -4.876 2.753 417 HA ILE 78 HA ILE 78 -8.301 -1.977 2.292 418 HB ILE 78 HB ILE 78 -6.148 -2.481 3.327 419 HG12 ILE 78 1HG1 ILE 78 -4.941 -2.093 0.791 420 HG13 ILE 78 2HG1 ILE 78 -6.526 -1.333 0.729 421 HG21 ILE 78 1HG2 ILE 78 -4.514 -3.910 2.016 422 HG22 ILE 78 2HG2 ILE 78 -5.916 -4.534 1.147 423 HG23 ILE 78 3HG2 ILE 78 -5.785 -4.764 2.890 424 HD11 ILE 78 3HD1 ILE 78 -6.020 0.142 2.453 425 HD12 ILE 78 1HD1 ILE 78 -4.547 0.079 1.487 426 HD13 ILE 78 2HD1 ILE 78 -4.647 -0.823 2.999 427 H VAL 79 H VAL 79 -8.708 -1.412 0.243 428 HA VAL 79 HA VAL 79 -8.354 -3.422 -1.856 429 HB VAL 79 HB VAL 79 -10.631 -3.725 -1.527 430 HG11 VAL 79 1HG1 VAL 79 -10.895 -0.755 -1.121 431 HG12 VAL 79 2HG1 VAL 79 -11.036 -2.016 0.103 432 HG13 VAL 79 3HG1 VAL 79 -12.246 -1.889 -1.174 433 HG21 VAL 79 3HG2 VAL 79 -11.798 -2.633 -3.408 434 HG22 VAL 79 1HG2 VAL 79 -10.220 -3.272 -3.867 435 HG23 VAL 79 2HG2 VAL 79 -10.426 -1.541 -3.600 436 H PHE 80 H PHE 80 -7.451 -2.690 -3.627 437 HA PHE 80 HA PHE 80 -6.921 0.175 -3.878 438 HB2 PHE 80 1HB PHE 80 -5.728 -2.329 -5.007 439 HB3 PHE 80 2HB PHE 80 -5.513 -0.826 -5.889 440 HD1 PHE 80 HD1 PHE 80 -5.023 -2.346 -2.534 441 HD2 PHE 80 HD2 PHE 80 -3.789 0.616 -5.330 442 HE1 PHE 80 HE1 PHE 80 -3.116 -1.782 -1.085 443 HE2 PHE 80 HE2 PHE 80 -1.878 1.188 -3.883 444 HZ PHE 80 HZ PHE 80 -1.541 -0.014 -1.760 445 HA PRO 81 HA PRO 81 -10.488 0.010 -6.716 446 HB2 PRO 81 1HB PRO 81 -10.750 2.710 -6.951 447 HB3 PRO 81 2HB PRO 81 -11.415 1.777 -5.608 448 HG2 PRO 81 1HG PRO 81 -8.899 3.386 -5.736 449 HG3 PRO 81 2HG PRO 81 -10.087 3.270 -4.427 450 HD2 PRO 81 1HD PRO 81 -7.735 1.939 -4.385 451 HD3 PRO 81 2HD PRO 81 -9.209 1.292 -3.639 452 H ASP 82 H ASP 82 -7.358 1.389 -7.180 453 HA ASP 82 HA ASP 82 -7.912 1.882 -10.014 454 HB2 ASP 82 1HB ASP 82 -5.551 2.638 -8.284 455 HB3 ASP 82 2HB ASP 82 -5.654 2.956 -10.015 456 H PHE 83 H PHE 83 -6.754 -0.603 -8.081 457 HA PHE 83 HA PHE 83 -5.215 -1.714 -10.340 458 HB2 PHE 83 1HB PHE 83 -4.722 -1.893 -7.382 459 HB3 PHE 83 2HB PHE 83 -4.087 -3.120 -8.472 460 HD1 PHE 83 HD1 PHE 83 -3.908 0.400 -7.472 461 HD2 PHE 83 HD2 PHE 83 -2.287 -2.627 -9.984 462 HE1 PHE 83 HE1 PHE 83 -1.985 1.846 -7.965 463 HE2 PHE 83 HE2 PHE 83 -0.358 -1.183 -10.483 464 HZ PHE 83 HZ PHE 83 -0.209 1.059 -9.472 465 H GLY 84 H GLY 84 -7.781 -2.223 -8.064 466 HA2 GLY 84 1HA GLY 84 -9.496 -3.797 -8.222 467 HA3 GLY 84 2HA GLY 84 -8.595 -4.619 -9.487 468 H VAL 85 H VAL 85 -7.113 -3.811 -6.456 469 HA VAL 85 HA VAL 85 -6.934 -6.677 -5.812 470 HB VAL 85 HB VAL 85 -5.116 -4.360 -5.163 471 HG11 VAL 85 1HG1 VAL 85 -3.920 -6.758 -4.315 472 HG12 VAL 85 2HG1 VAL 85 -5.539 -6.726 -3.616 473 HG13 VAL 85 3HG1 VAL 85 -4.428 -5.388 -3.327 474 HG21 VAL 85 3HG2 VAL 85 -4.749 -6.898 -6.744 475 HG22 VAL 85 1HG2 VAL 85 -3.446 -5.777 -6.340 476 HG23 VAL 85 2HG2 VAL 85 -4.783 -5.246 -7.363 477 H HIS 86 H HIS 86 -8.129 -7.368 -4.157 478 HA HIS 86 HA HIS 86 -8.682 -5.509 -1.929 479 HB2 HIS 86 1HB HIS 86 -10.834 -6.975 -1.666 480 HB3 HIS 86 2HB HIS 86 -10.802 -5.683 -2.858 481 HD1 HIS 86 HD1 HIS 86 -9.721 -9.345 -3.010 482 HD2 HIS 86 HD2 HIS 86 -12.068 -6.587 -5.060 483 HE1 HIS 86 HE1 HIS 86 -10.646 -10.587 -4.996 484 H ALA 87 H ALA 87 -7.840 -6.176 -0.059 485 HA ALA 87 HA ALA 87 -7.726 -9.057 0.513 486 HB1 ALA 87 3HB ALA 87 -5.391 -7.172 0.522 487 HB2 ALA 87 1HB ALA 87 -5.548 -8.731 -0.287 488 HB3 ALA 87 2HB ALA 87 -5.393 -8.659 1.469 489 H ASN 88 H ASN 88 -6.908 -9.389 2.859 490 HA ASN 88 HA ASN 88 -8.238 -7.404 4.587 491 HB2 ASN 88 1HB ASN 88 -8.290 -9.578 6.150 492 HB3 ASN 88 2HB ASN 88 -9.563 -9.223 4.986 493 HD21 ASN 88 2HD2 ASN 88 -6.372 -10.794 5.036 494 HD22 ASN 88 1HD2 ASN 88 -6.854 -12.158 4.090 495 H LEU 89 H LEU 89 -7.228 -6.739 6.477 496 HA LEU 89 HA LEU 89 -4.380 -7.452 6.652 497 HB2 LEU 89 1HB LEU 89 -5.750 -5.110 7.962 498 HB3 LEU 89 2HB LEU 89 -4.025 -5.375 7.783 499 HG LEU 89 HG LEU 89 -5.925 -4.884 5.488 500 HD11 LEU 89 1HD1 LEU 89 -4.594 -2.693 5.405 501 HD12 LEU 89 2HD1 LEU 89 -4.172 -3.048 7.080 502 HD13 LEU 89 3HD1 LEU 89 -5.862 -2.849 6.620 503 HD21 LEU 89 3HD2 LEU 89 -3.661 -4.377 4.370 504 HD22 LEU 89 1HD2 LEU 89 -4.131 -6.060 4.598 505 HD23 LEU 89 2HD2 LEU 89 -2.969 -5.313 5.695 506 HA PRO 90 HA PRO 90 -5.407 -9.638 10.404 507 HB2 PRO 90 1HB PRO 90 -2.924 -10.563 10.928 508 HB3 PRO 90 2HB PRO 90 -3.940 -11.239 9.650 509 HG2 PRO 90 1HG PRO 90 -1.645 -9.344 9.446 510 HG3 PRO 90 2HG PRO 90 -2.106 -10.670 8.368 511 HD2 PRO 90 1HD PRO 90 -2.631 -8.001 7.904 512 HD3 PRO 90 2HD PRO 90 -3.522 -9.347 7.172 513 H MET 91 H MET 91 -5.630 -8.853 12.405 514 HA MET 91 HA MET 91 -4.378 -6.462 13.242 515 HB2 MET 91 1HB MET 91 -6.604 -7.067 14.005 516 HB3 MET 91 2HB MET 91 -5.967 -8.491 14.816 517 HG2 MET 91 1HG MET 91 -6.466 -6.619 16.343 518 HG3 MET 91 2HG MET 91 -4.785 -7.142 16.394 519 HE1 MET 91 3HE MET 91 -3.727 -3.582 16.908 520 HE2 MET 91 1HE MET 91 -3.227 -5.271 17.005 521 HE3 MET 91 2HE MET 91 -4.708 -4.742 17.804 522 H GLY 92 H GLY 92 -2.500 -6.108 14.191 523 HA2 GLY 92 1HA GLY 92 -0.745 -6.453 15.702 524 HA3 GLY 92 2HA GLY 92 -1.319 -8.092 15.965 525 H GLU 93 H GLU 93 -1.242 -7.639 12.702 526 HA GLU 93 HA GLU 93 1.569 -8.452 12.436 527 HB2 GLU 93 1HB GLU 93 -0.779 -9.835 11.125 528 HB3 GLU 93 2HB GLU 93 0.912 -10.196 10.815 529 HG2 GLU 93 1HG GLU 93 1.195 -10.933 13.109 530 HG3 GLU 93 2HG GLU 93 -0.477 -10.509 13.468 531 H GLU 94 H GLU 94 2.046 -8.617 9.915 532 HA GLU 94 HA GLU 94 0.878 -6.213 8.681 533 HB2 GLU 94 1HB GLU 94 3.090 -5.931 7.526 534 HB3 GLU 94 2HB GLU 94 3.121 -5.676 9.265 535 HG2 GLU 94 1HG GLU 94 3.683 -8.398 8.828 536 HG3 GLU 94 2HG GLU 94 4.649 -7.480 7.676 537 H TYR 95 H TYR 95 0.132 -6.333 6.658 538 HA TYR 95 HA TYR 95 0.453 -8.894 5.229 539 HB2 TYR 95 1HB TYR 95 -1.878 -8.104 6.091 540 HB3 TYR 95 2HB TYR 95 -1.820 -6.994 4.729 541 HD1 TYR 95 HD1 TYR 95 -1.822 -10.565 5.680 542 HD2 TYR 95 HD2 TYR 95 -2.241 -7.752 2.515 543 HE1 TYR 95 HE1 TYR 95 -2.659 -12.351 4.211 544 HE2 TYR 95 HE2 TYR 95 -3.079 -9.530 1.038 545 HH TYR 95 HH TYR 95 -2.884 -12.048 0.893 546 H VAL 96 H VAL 96 1.418 -8.830 3.285 547 HA VAL 96 HA VAL 96 2.029 -6.186 2.194 548 HB VAL 96 HB VAL 96 3.834 -7.956 2.741 549 HG11 VAL 96 1HG1 VAL 96 2.405 -9.480 0.928 550 HG12 VAL 96 2HG1 VAL 96 4.031 -9.810 1.527 551 HG13 VAL 96 3HG1 VAL 96 3.810 -8.930 0.012 552 HG21 VAL 96 3HG2 VAL 96 5.112 -7.217 0.624 553 HG22 VAL 96 1HG2 VAL 96 4.572 -5.991 1.770 554 HG23 VAL 96 2HG2 VAL 96 3.666 -6.266 0.282 555 H VAL 97 H VAL 97 1.428 -5.495 0.250 556 HA VAL 97 HA VAL 97 -0.213 -7.297 -1.418 557 HB VAL 97 HB VAL 97 -0.379 -4.298 -1.066 558 HG11 VAL 97 1HG1 VAL 97 -2.078 -5.974 -2.907 559 HG12 VAL 97 2HG1 VAL 97 -0.687 -5.035 -3.449 560 HG13 VAL 97 3HG1 VAL 97 -2.078 -4.218 -2.736 561 HG21 VAL 97 3HG2 VAL 97 -2.127 -6.606 -0.304 562 HG22 VAL 97 1HG2 VAL 97 -2.793 -4.985 -0.499 563 HG23 VAL 97 2HG2 VAL 97 -1.534 -5.282 0.698 564 H GLU 98 H GLU 98 0.887 -7.970 -3.139 565 HA GLU 98 HA GLU 98 3.020 -6.308 -4.245 566 HB2 GLU 98 1HB GLU 98 2.340 -9.192 -4.319 567 HB3 GLU 98 2HB GLU 98 3.134 -8.538 -5.745 568 HG2 GLU 98 1HG GLU 98 5.082 -8.078 -4.623 569 HG3 GLU 98 2HG GLU 98 4.272 -7.938 -3.063 570 H ILE 99 H ILE 99 2.649 -5.000 -5.891 571 HA ILE 99 HA ILE 99 0.713 -5.796 -7.961 572 HB ILE 99 HB ILE 99 0.326 -3.148 -8.050 573 HG12 ILE 99 1HG1 ILE 99 0.592 -3.709 -5.088 574 HG13 ILE 99 2HG1 ILE 99 1.785 -2.820 -6.029 575 HG21 ILE 99 1HG2 ILE 99 -1.756 -3.556 -6.710 576 HG22 ILE 99 2HG2 ILE 99 -1.126 -5.165 -6.353 577 HG23 ILE 99 3HG2 ILE 99 -1.470 -4.703 -8.021 578 HD11 ILE 99 3HD1 ILE 99 -0.604 -1.547 -6.596 579 HD12 ILE 99 1HD1 ILE 99 0.657 -0.990 -5.495 580 HD13 ILE 99 2HD1 ILE 99 -0.705 -1.925 -4.876 581 H THR 100 H THR 100 1.022 -4.714 -10.021 582 HA THR 100 HA THR 100 3.792 -3.768 -10.384 583 HB THR 100 HB THR 100 2.242 -5.195 -12.534 584 HG1 THR 100 HG1 THR 100 3.242 -7.109 -11.854 585 HG21 THR 100 3HG2 THR 100 5.220 -5.021 -12.109 586 HG22 THR 100 1HG2 THR 100 4.318 -3.820 -13.033 587 HG23 THR 100 2HG2 THR 100 4.352 -5.500 -13.568 588 HA PRO 101 HA PRO 101 1.276 -0.248 -11.853 589 HB2 PRO 101 1HB PRO 101 3.172 1.623 -11.407 590 HB3 PRO 101 2HB PRO 101 2.156 0.982 -10.110 591 HG2 PRO 101 1HG PRO 101 4.954 0.219 -10.872 592 HG3 PRO 101 2HG PRO 101 4.285 0.526 -9.259 593 HD2 PRO 101 1HD PRO 101 4.632 -1.969 -10.234 594 HD3 PRO 101 2HD PRO 101 3.303 -1.557 -9.132 595 H GLU 102 H GLU 102 1.234 -0.751 -14.052 596 HA GLU 102 HA GLU 102 3.680 -0.384 -15.610 597 HB2 GLU 102 1HB GLU 102 0.960 -1.434 -16.394 598 HB3 GLU 102 2HB GLU 102 2.328 -1.301 -17.491 599 HG2 GLU 102 1HG GLU 102 3.214 -3.202 -16.762 600 HG3 GLU 102 2HG GLU 102 3.022 -2.733 -15.075 601 H GLN 103 H GLN 103 1.447 1.653 -14.488 602 HA GLN 103 HA GLN 103 1.644 3.403 -16.843 603 HB2 GLN 103 1HB GLN 103 -0.744 2.326 -15.745 604 HB3 GLN 103 2HB GLN 103 -0.717 4.040 -15.354 605 HG2 GLN 103 1HG GLN 103 -0.432 4.593 -17.700 606 HG3 GLN 103 2HG GLN 103 -0.394 2.880 -18.112 607 HE21 GLN 103 2HE2 GLN 103 -2.334 5.594 -17.663 608 HE22 GLN 103 1HE2 GLN 103 -3.872 4.816 -17.755 609 H ALA 104 H ALA 104 2.329 5.431 -16.425 610 HA ALA 104 HA ALA 104 3.035 6.076 -13.682 611 HB1 ALA 104 3HB ALA 104 4.170 6.615 -16.205 612 HB2 ALA 104 1HB ALA 104 4.782 7.073 -14.614 613 HB3 ALA 104 2HB ALA 104 3.718 8.169 -15.499 614 H GLY 105 H GLY 105 1.967 7.441 -12.419 615 HA2 GLY 105 1HA GLY 105 0.774 9.819 -13.000 616 HA3 GLY 105 2HA GLY 105 -0.479 8.639 -13.353 617 H GLU 106 H GLU 106 -1.723 9.646 -11.676 618 HA GLU 106 HA GLU 106 -0.772 9.161 -8.947 619 HB2 GLU 106 1HB GLU 106 -2.470 11.172 -10.194 620 HB3 GLU 106 2HB GLU 106 -3.204 10.480 -8.754 621 HG2 GLU 106 1HG GLU 106 -1.392 11.147 -7.393 622 HG3 GLU 106 2HG GLU 106 -0.398 11.546 -8.792 623 H PHE 107 H PHE 107 -1.512 7.550 -7.786 624 HA PHE 107 HA PHE 107 -4.031 6.228 -8.581 625 HB2 PHE 107 1HB PHE 107 -1.468 5.047 -7.498 626 HB3 PHE 107 2HB PHE 107 -2.982 4.149 -7.552 627 HD1 PHE 107 HD1 PHE 107 -0.314 5.676 -9.557 628 HD2 PHE 107 HD2 PHE 107 -3.836 3.301 -9.612 629 HE1 PHE 107 HE1 PHE 107 0.172 5.015 -11.877 630 HE2 PHE 107 HE2 PHE 107 -3.362 2.633 -11.932 631 HZ PHE 107 HZ PHE 107 -1.352 3.492 -13.067 632 H SER 108 H SER 108 -4.905 4.873 -6.581 633 HA SER 108 HA SER 108 -4.371 6.142 -4.032 634 HB2 SER 108 1HB SER 108 -6.618 6.987 -3.678 635 HB3 SER 108 2HB SER 108 -5.950 7.707 -5.142 636 HG SER 108 HG SER 108 -7.092 5.814 -6.203 637 H PHE 109 H PHE 109 -5.491 5.188 -2.246 638 HA PHE 109 HA PHE 109 -6.969 2.726 -2.729 639 HB2 PHE 109 1HB PHE 109 -5.534 1.442 -1.123 640 HB3 PHE 109 2HB PHE 109 -4.759 1.822 -2.654 641 HD1 PHE 109 HD2 PHE 109 -3.002 3.568 -2.745 642 HD2 PHE 109 HD1 PHE 109 -4.679 2.246 0.937 643 HE1 PHE 109 HE2 PHE 109 -1.089 4.527 -1.532 644 HE2 PHE 109 HE1 PHE 109 -2.766 3.199 2.155 645 HZ PHE 109 HZ PHE 109 -0.968 4.342 0.920 646 H ALA 110 H ALA 110 -8.522 2.359 -1.263 647 HA ALA 110 HA ALA 110 -8.405 3.338 1.435 648 HB1 ALA 110 3HB ALA 110 -9.356 5.328 1.166 649 HB2 ALA 110 1HB ALA 110 -10.799 4.527 0.543 650 HB3 ALA 110 2HB ALA 110 -9.529 5.048 -0.565 651 H CYS 111 H CYS 111 -10.405 2.781 2.660 652 HA CYS 111 HA CYS 111 -12.140 0.831 1.343 653 HB2 CYS 111 1HB CYS 111 -10.091 -0.296 2.435 654 HB3 CYS 111 2HB CYS 111 -10.865 0.099 3.966 655 HG CYS 111 HG CYS 111 -11.311 -2.614 3.258 656 H GLY 112 H GLY 112 -14.192 0.852 2.067 657 HA2 GLY 112 1HA GLY 112 -15.993 1.227 3.480 658 HA3 GLY 112 2HA GLY 112 -14.870 1.765 4.719 659 H MET 113 H MET 113 -16.807 3.290 4.921 660 HA MET 113 HA MET 113 -16.575 5.551 3.060 661 HB2 MET 113 1HB MET 113 -18.825 4.354 3.793 662 HB3 MET 113 2HB MET 113 -18.684 5.440 5.169 663 HG2 MET 113 1HG MET 113 -20.091 6.320 3.336 664 HG3 MET 113 2HG MET 113 -18.729 7.359 3.751 665 HE1 MET 113 3HE MET 113 -18.406 8.767 1.628 666 HE2 MET 113 1HE MET 113 -17.248 8.098 0.478 667 HE3 MET 113 2HE MET 113 -16.896 8.062 2.205 668 H ASN 114 H ASN 114 -14.678 6.455 3.891 669 HA ASN 114 HA ASN 114 -15.076 8.039 6.298 670 HB2 ASN 114 1HB ASN 114 -13.772 5.684 6.607 671 HB3 ASN 114 2HB ASN 114 -12.424 6.738 6.195 672 HD21 ASN 114 2HD2 ASN 114 -14.253 5.563 8.672 673 HD22 ASN 114 1HD2 ASN 114 -13.889 6.749 9.872 674 H MET 115 H MET 115 -12.986 9.447 6.641 675 HA MET 115 HA MET 115 -12.519 10.782 4.099 676 HB2 MET 115 1HB MET 115 -11.832 11.522 6.943 677 HB3 MET 115 2HB MET 115 -11.399 12.507 5.553 678 HG2 MET 115 1HG MET 115 -13.350 13.524 5.771 679 HG3 MET 115 2HG MET 115 -14.120 12.023 5.255 680 HE1 MET 115 3HE MET 115 -16.331 11.965 6.497 681 HE2 MET 115 1HE MET 115 -16.306 11.202 8.086 682 HE3 MET 115 2HE MET 115 -15.450 10.456 6.735 683 H MET 116 H MET 116 -10.766 8.873 6.441 684 HA MET 116 HA MET 116 -8.143 9.511 5.604 685 HB2 MET 116 1HB MET 116 -7.614 7.213 6.652 686 HB3 MET 116 2HB MET 116 -8.244 8.480 7.693 687 HG2 MET 116 1HG MET 116 -10.118 7.346 8.151 688 HG3 MET 116 2HG MET 116 -10.298 6.777 6.492 689 HE1 MET 116 3HE MET 116 -8.922 3.335 6.421 690 HE2 MET 116 1HE MET 116 -8.998 4.821 5.472 691 HE3 MET 116 2HE MET 116 -10.454 4.192 6.246 692 H HIS 117 H HIS 117 -7.134 9.048 3.782 693 HA HIS 117 HA HIS 117 -7.577 6.515 2.441 694 HB2 HIS 117 1HB HIS 117 -8.054 7.527 0.259 695 HB3 HIS 117 2HB HIS 117 -9.294 7.948 1.432 696 HD1 HIS 117 HD1 HIS 117 -9.134 10.460 2.417 697 HD2 HIS 117 HD2 HIS 117 -6.860 9.652 -0.978 698 HE1 HIS 117 HE1 HIS 117 -8.532 12.703 1.449 699 H GLY 118 H GLY 118 -5.940 6.004 0.869 700 HA2 GLY 118 1HA GLY 118 -3.476 7.564 1.329 701 HA3 GLY 118 2HA GLY 118 -3.522 5.842 0.980 702 H LYS 119 H LYS 119 -2.117 8.095 -0.343 703 HA LYS 119 HA LYS 119 -3.234 7.758 -3.054 704 HB2 LYS 119 1HB LYS 119 -3.152 10.107 -1.953 705 HB3 LYS 119 2HB LYS 119 -1.426 10.026 -2.276 706 HG2 LYS 119 1HG LYS 119 -2.175 9.468 -4.701 707 HG3 LYS 119 2HG LYS 119 -3.706 10.183 -4.195 708 HD2 LYS 119 1HD LYS 119 -1.203 11.675 -3.602 709 HD3 LYS 119 2HD LYS 119 -1.768 11.637 -5.273 710 HE2 LYS 119 1HE LYS 119 -4.058 12.299 -4.235 711 HE3 LYS 119 2HE LYS 119 -3.086 12.797 -2.851 712 HZ1 LYS 119 3HZ LYS 119 -2.534 13.735 -5.618 713 HZ2 LYS 119 1HZ LYS 119 -1.940 14.367 -4.155 714 HZ3 LYS 119 2HZ LYS 119 -3.572 14.561 -4.553 715 H MET 120 H MET 120 -1.790 7.372 -4.762 716 HA MET 120 HA MET 120 0.980 6.731 -3.982 717 HB2 MET 120 1HB MET 120 -0.291 4.645 -4.089 718 HB3 MET 120 2HB MET 120 -0.835 5.041 -5.709 719 HG2 MET 120 1HG MET 120 1.888 5.187 -5.949 720 HG3 MET 120 2HG MET 120 1.669 3.861 -4.808 721 HE1 MET 120 3HE MET 120 0.393 1.003 -6.726 722 HE2 MET 120 1HE MET 120 -0.666 1.946 -5.677 723 HE3 MET 120 2HE MET 120 1.025 1.707 -5.237 724 H ILE 121 H ILE 121 2.554 7.296 -5.434 725 HA ILE 121 HA ILE 121 1.626 8.439 -7.996 726 HB ILE 121 HB ILE 121 3.859 9.469 -6.235 727 HG12 ILE 121 1HG1 ILE 121 2.216 11.577 -6.787 728 HG13 ILE 121 2HG1 ILE 121 1.057 10.254 -6.724 729 HG21 ILE 121 1HG2 ILE 121 3.010 10.336 -8.996 730 HG22 ILE 121 2HG2 ILE 121 4.557 9.622 -8.538 731 HG23 ILE 121 3HG2 ILE 121 4.121 11.230 -7.959 732 HD11 ILE 121 3HD1 ILE 121 1.479 9.824 -4.496 733 HD12 ILE 121 1HD1 ILE 121 1.573 11.583 -4.583 734 HD13 ILE 121 2HD1 ILE 121 3.051 10.622 -4.534 735 H VAL 122 H VAL 122 2.343 7.350 -9.683 736 HA VAL 122 HA VAL 122 4.764 5.707 -9.398 737 HB VAL 122 HB VAL 122 2.569 5.569 -11.472 738 HG11 VAL 122 1HG1 VAL 122 5.000 4.857 -12.077 739 HG12 VAL 122 2HG1 VAL 122 3.650 3.800 -12.486 740 HG13 VAL 122 3HG1 VAL 122 4.641 3.455 -11.069 741 HG21 VAL 122 3HG2 VAL 122 2.087 4.844 -9.066 742 HG22 VAL 122 1HG2 VAL 122 3.200 3.512 -9.380 743 HG23 VAL 122 2HG2 VAL 122 1.739 3.688 -10.352 744 H GLU 123 H GLU 123 6.590 6.368 -10.292 745 HA GLU 123 HA GLU 123 6.570 8.599 -12.162 746 HB2 GLU 123 1HB GLU 123 8.364 7.615 -10.179 747 HB3 GLU 123 2HB GLU 123 9.209 7.618 -11.722 748 HG2 GLU 123 1HG GLU 123 8.511 9.995 -12.014 749 HG3 GLU 123 2HG GLU 123 7.874 9.949 -10.371 Start of MODEL 10 1 HA2 GLY 26 1HA GLY 26 9.652 19.800 -1.198 2 HA3 GLY 26 2HA GLY 26 11.352 19.384 -1.045 3 H ALA 27 H ALA 27 9.984 18.325 1.700 4 HA ALA 27 HA ALA 27 9.982 15.567 0.806 5 HB1 ALA 27 3HB ALA 27 9.710 15.031 3.194 6 HB2 ALA 27 1HB ALA 27 9.563 16.751 3.547 7 HB3 ALA 27 2HB ALA 27 11.072 16.112 2.898 8 H MET 28 H MET 28 8.036 16.194 -0.608 9 HA MET 28 HA MET 28 5.507 16.113 0.859 10 HB2 MET 28 1HB MET 28 6.360 17.289 -1.589 11 HB3 MET 28 2HB MET 28 5.103 16.118 -1.964 12 HG2 MET 28 1HG MET 28 4.292 18.437 -1.560 13 HG3 MET 28 2HG MET 28 3.546 17.207 -0.543 14 HE1 MET 28 3HE MET 28 7.018 19.327 -0.235 15 HE2 MET 28 1HE MET 28 6.313 20.613 0.746 16 HE3 MET 28 2HE MET 28 5.678 20.285 -0.866 17 H GLY 29 H GLY 29 5.440 13.981 1.575 18 HA2 GLY 29 1HA GLY 29 4.206 11.963 1.010 19 HA3 GLY 29 2HA GLY 29 4.979 12.003 -0.568 20 H GLN 30 H GLN 30 5.214 9.670 0.341 21 HA GLN 30 HA GLN 30 7.839 9.510 1.686 22 HB2 GLN 30 1HB GLN 30 5.362 8.336 2.439 23 HB3 GLN 30 2HB GLN 30 6.425 7.037 1.916 24 HG2 GLN 30 1HG GLN 30 7.214 9.119 3.937 25 HG3 GLN 30 2HG GLN 30 6.498 7.565 4.358 26 HE21 GLN 30 2HE2 GLN 30 7.778 5.822 4.488 27 HE22 GLN 30 1HE2 GLN 30 9.459 5.800 4.088 28 H LYS 31 H LYS 31 9.416 8.494 0.631 29 HA LYS 31 HA LYS 31 8.808 7.307 -1.964 30 HB2 LYS 31 1HB LYS 31 10.785 8.994 -1.210 31 HB3 LYS 31 2HB LYS 31 11.613 7.453 -1.033 32 HG2 LYS 31 1HG LYS 31 11.523 6.988 -3.281 33 HG3 LYS 31 2HG LYS 31 10.118 8.021 -3.547 34 HD2 LYS 31 1HD LYS 31 12.552 9.393 -2.606 35 HD3 LYS 31 2HD LYS 31 12.644 8.702 -4.227 36 HE2 LYS 31 1HE LYS 31 10.713 9.946 -4.928 37 HE3 LYS 31 2HE LYS 31 10.429 10.517 -3.283 38 HZ1 LYS 31 3HZ LYS 31 12.166 11.567 -5.289 39 HZ2 LYS 31 1HZ LYS 31 12.997 11.273 -3.844 40 HZ3 LYS 31 2HZ LYS 31 11.636 12.277 -3.848 41 H ALA 32 H ALA 32 8.723 5.182 -2.289 42 HA ALA 32 HA ALA 32 9.148 3.331 -0.166 43 HB1 ALA 32 3HB ALA 32 8.599 2.920 -3.100 44 HB2 ALA 32 1HB ALA 32 7.439 2.870 -1.772 45 HB3 ALA 32 2HB ALA 32 8.673 1.615 -1.916 46 H GLN 33 H GLN 33 10.672 1.616 -0.058 47 HA GLN 33 HA GLN 33 13.295 2.411 -0.964 48 HB2 GLN 33 1HB GLN 33 14.154 0.687 0.447 49 HB3 GLN 33 2HB GLN 33 12.864 1.495 1.322 50 HG2 GLN 33 1HG GLN 33 11.348 -0.372 0.599 51 HG3 GLN 33 2HG GLN 33 12.782 -1.201 -0.005 52 HE21 GLN 33 2HE2 GLN 33 11.864 0.565 2.942 53 HE22 GLN 33 1HE2 GLN 33 12.451 -0.632 4.038 54 H GLN 34 H GLN 34 14.581 1.435 -2.446 55 HA GLN 34 HA GLN 34 13.264 -0.442 -4.260 56 HB2 GLN 34 1HB GLN 34 15.934 0.900 -4.680 57 HB3 GLN 34 2HB GLN 34 14.884 0.182 -5.893 58 HG2 GLN 34 1HG GLN 34 14.186 2.255 -6.283 59 HG3 GLN 34 2HG GLN 34 13.280 2.106 -4.778 60 HE21 GLN 34 2HE2 GLN 34 15.040 4.207 -6.356 61 HE22 GLN 34 1HE2 GLN 34 15.872 4.997 -5.068 62 H LYS 35 H LYS 35 13.592 -2.535 -3.960 63 HA LYS 35 HA LYS 35 16.005 -3.452 -2.586 64 HB2 LYS 35 1HB LYS 35 13.618 -5.100 -3.422 65 HB3 LYS 35 2HB LYS 35 14.854 -5.532 -2.252 66 HG2 LYS 35 1HG LYS 35 13.387 -3.057 -1.655 67 HG3 LYS 35 2HG LYS 35 12.424 -4.535 -1.620 68 HD2 LYS 35 1HD LYS 35 14.918 -4.998 -0.291 69 HD3 LYS 35 2HD LYS 35 14.171 -3.540 0.364 70 HE2 LYS 35 1HE LYS 35 12.067 -5.325 0.156 71 HE3 LYS 35 2HE LYS 35 13.416 -6.328 0.685 72 HZ1 LYS 35 3HZ LYS 35 13.497 -5.316 2.681 73 HZ2 LYS 35 1HZ LYS 35 11.875 -4.937 2.352 74 HZ3 LYS 35 2HZ LYS 35 13.095 -3.781 2.071 75 H ASN 36 H ASN 36 15.698 -6.159 -3.808 76 HA ASN 36 HA ASN 36 17.463 -5.698 -6.049 77 HB2 ASN 36 1HB ASN 36 17.184 -7.714 -4.140 78 HB3 ASN 36 2HB ASN 36 16.712 -8.469 -5.660 79 HD21 ASN 36 2HD2 ASN 36 18.962 -9.239 -4.256 80 HD22 ASN 36 1HD2 ASN 36 20.365 -8.822 -5.171 81 H GLY 37 H GLY 37 15.773 -4.652 -7.388 82 HA2 GLY 37 1HA GLY 37 14.814 -5.007 -9.527 83 HA3 GLY 37 2HA GLY 37 14.522 -6.682 -9.093 84 H TYR 38 H TYR 38 13.452 -5.106 -6.477 85 HA TYR 38 HA TYR 38 10.852 -4.336 -7.572 86 HB2 TYR 38 1HB TYR 38 9.640 -5.725 -5.935 87 HB3 TYR 38 2HB TYR 38 10.591 -6.707 -7.041 88 HD1 TYR 38 HD2 TYR 38 12.775 -7.684 -6.219 89 HD2 TYR 38 HD1 TYR 38 9.959 -5.860 -3.604 90 HE1 TYR 38 HE2 TYR 38 13.822 -8.824 -4.309 91 HE2 TYR 38 HE1 TYR 38 11.000 -6.995 -1.687 92 HH TYR 38 HH TYR 38 12.407 -8.726 -1.114 93 H GLN 39 H GLN 39 9.485 -3.197 -5.965 94 HA GLN 39 HA GLN 39 11.199 -1.789 -4.018 95 HB2 GLN 39 1HB GLN 39 8.607 -0.594 -4.815 96 HB3 GLN 39 2HB GLN 39 10.134 0.184 -4.441 97 HG2 GLN 39 1HG GLN 39 10.442 -1.341 -6.828 98 HG3 GLN 39 2HG GLN 39 9.006 -0.328 -6.970 99 HE21 GLN 39 2HE2 GLN 39 9.683 1.900 -5.605 100 HE22 GLN 39 1HE2 GLN 39 11.033 2.677 -6.349 101 H GLU 40 H GLU 40 10.236 -1.074 -2.028 102 HA GLU 40 HA GLU 40 7.812 -2.471 -1.175 103 HB2 GLU 40 1HB GLU 40 9.756 -3.977 -0.721 104 HB3 GLU 40 2HB GLU 40 10.419 -2.738 0.335 105 HG2 GLU 40 1HG GLU 40 7.815 -3.117 1.234 106 HG3 GLU 40 2HG GLU 40 8.411 -4.737 0.868 107 H ILE 41 H ILE 41 6.711 -1.462 0.481 108 HA ILE 41 HA ILE 41 7.989 0.786 1.852 109 HB ILE 41 HB ILE 41 6.994 1.982 0.074 110 HG12 ILE 41 1HG1 ILE 41 4.687 2.681 1.510 111 HG13 ILE 41 2HG1 ILE 41 5.844 2.156 2.724 112 HG21 ILE 41 1HG2 ILE 41 4.473 1.704 -0.363 113 HG22 ILE 41 2HG2 ILE 41 4.658 0.151 0.457 114 HG23 ILE 41 3HG2 ILE 41 5.581 0.490 -1.009 115 HD11 ILE 41 3HD1 ILE 41 6.053 4.512 2.444 116 HD12 ILE 41 1HD1 ILE 41 6.206 4.346 0.694 117 HD13 ILE 41 2HD1 ILE 41 7.487 3.751 1.752 118 H ARG 42 H ARG 42 7.495 0.839 3.950 119 HA ARG 42 HA ARG 42 5.486 -1.000 4.955 120 HB2 ARG 42 1HB ARG 42 7.966 -0.370 5.865 121 HB3 ARG 42 2HB ARG 42 6.976 0.676 6.874 122 HG2 ARG 42 1HG ARG 42 5.878 -1.115 7.871 123 HG3 ARG 42 2HG ARG 42 6.326 -2.231 6.580 124 HD2 ARG 42 1HD ARG 42 8.721 -1.932 7.313 125 HD3 ARG 42 2HD ARG 42 8.096 -1.082 8.727 126 HE ARG 42 HE ARG 42 6.886 -3.644 8.385 127 HH11 ARG 42 1HH1 ARG 42 9.717 -2.040 9.580 128 HH12 ARG 42 2HH1 ARG 42 10.098 -3.292 10.709 129 HH21 ARG 42 1HH2 ARG 42 7.384 -5.279 9.861 130 HH22 ARG 42 2HH2 ARG 42 8.788 -5.112 10.868 131 H VAL 43 H VAL 43 3.479 -0.280 4.959 132 HA VAL 43 HA VAL 43 2.929 2.525 5.639 133 HB VAL 43 HB VAL 43 1.063 0.441 4.474 134 HG11 VAL 43 1HG1 VAL 43 -0.599 1.898 4.718 135 HG12 VAL 43 2HG1 VAL 43 0.357 3.189 3.988 136 HG13 VAL 43 3HG1 VAL 43 0.476 2.873 5.720 137 HG21 VAL 43 3HG2 VAL 43 1.369 1.555 2.356 138 HG22 VAL 43 1HG2 VAL 43 2.937 1.045 2.980 139 HG23 VAL 43 2HG2 VAL 43 2.451 2.735 3.096 140 H GLU 44 H GLU 44 2.845 2.731 7.786 141 HA GLU 44 HA GLU 44 1.845 0.707 9.537 142 HB2 GLU 44 1HB GLU 44 3.570 2.627 9.980 143 HB3 GLU 44 2HB GLU 44 2.137 3.568 10.371 144 HG2 GLU 44 1HG GLU 44 2.399 2.781 12.433 145 HG3 GLU 44 2HG GLU 44 1.724 1.279 11.801 146 H VAL 45 H VAL 45 -0.195 0.230 9.853 147 HA VAL 45 HA VAL 45 -2.271 2.193 9.230 148 HB VAL 45 HB VAL 45 -2.332 -0.804 9.551 149 HG11 VAL 45 1HG1 VAL 45 -4.373 -0.129 10.527 150 HG12 VAL 45 2HG1 VAL 45 -4.750 -0.606 8.871 151 HG13 VAL 45 3HG1 VAL 45 -4.637 1.103 9.293 152 HG21 VAL 45 3HG2 VAL 45 -3.350 0.660 7.178 153 HG22 VAL 45 1HG2 VAL 45 -2.577 -0.921 7.283 154 HG23 VAL 45 2HG2 VAL 45 -1.604 0.546 7.403 155 H MET 46 H MET 46 -2.493 3.465 10.982 156 HA MET 46 HA MET 46 -3.622 2.223 13.369 157 HB2 MET 46 1HB MET 46 -2.254 3.947 14.742 158 HB3 MET 46 2HB MET 46 -1.464 2.468 14.215 159 HG2 MET 46 1HG MET 46 -0.697 3.862 12.191 160 HG3 MET 46 2HG MET 46 -1.133 5.250 13.182 161 HE1 MET 46 3HE MET 46 -0.407 5.207 15.806 162 HE2 MET 46 1HE MET 46 0.595 6.333 14.889 163 HE3 MET 46 2HE MET 46 1.338 5.246 16.064 164 H GLY 47 H GLY 47 -5.606 3.023 12.630 165 HA2 GLY 47 1HA GLY 47 -7.317 4.589 12.914 166 HA3 GLY 47 2HA GLY 47 -6.109 5.799 13.329 167 H GLY 48 H GLY 48 -5.089 4.255 10.623 168 HA2 GLY 48 1HA GLY 48 -6.482 5.002 8.435 169 HA3 GLY 48 2HA GLY 48 -5.691 6.497 8.915 170 H TYR 49 H TYR 49 -4.272 6.666 7.210 171 HA TYR 49 HA TYR 49 -2.295 4.490 6.954 172 HB2 TYR 49 1HB TYR 49 -3.104 6.512 4.849 173 HB3 TYR 49 2HB TYR 49 -1.955 5.197 4.633 174 HD1 TYR 49 HD2 TYR 49 -2.928 2.790 5.158 175 HD2 TYR 49 HD1 TYR 49 -5.291 6.189 4.176 176 HE1 TYR 49 HE2 TYR 49 -4.766 1.308 4.466 177 HE2 TYR 49 HE1 TYR 49 -7.135 4.716 3.487 178 HH TYR 49 HH TYR 49 -7.236 1.427 4.223 179 H THR 50 H THR 50 -0.228 4.967 7.466 180 HA THR 50 HA THR 50 0.416 7.528 8.508 181 HB THR 50 HB THR 50 2.174 5.144 7.931 182 HG1 THR 50 HG1 THR 50 0.808 4.803 9.661 183 HG21 THR 50 3HG2 THR 50 4.008 6.209 8.914 184 HG22 THR 50 1HG2 THR 50 3.013 7.490 9.605 185 HG23 THR 50 2HG2 THR 50 3.330 7.458 7.869 186 HA PRO 51 HA PRO 51 3.054 8.416 4.652 187 HB2 PRO 51 1HB PRO 51 3.259 6.645 2.629 188 HB3 PRO 51 2HB PRO 51 4.326 6.585 4.037 189 HG2 PRO 51 1HG PRO 51 1.888 4.954 3.437 190 HG3 PRO 51 2HG PRO 51 3.449 4.432 4.098 191 HD2 PRO 51 1HD PRO 51 1.257 4.868 5.647 192 HD3 PRO 51 2HD PRO 51 2.918 5.106 6.221 193 H GLU 52 H GLU 52 1.397 9.859 4.235 194 HA GLU 52 HA GLU 52 -1.080 9.386 3.131 195 HB2 GLU 52 1HB GLU 52 -0.943 11.785 2.295 196 HB3 GLU 52 2HB GLU 52 -0.704 11.530 4.018 197 HG2 GLU 52 1HG GLU 52 1.825 11.408 2.710 198 HG3 GLU 52 2HG GLU 52 0.977 12.863 2.190 199 H LEU 53 H LEU 53 1.934 10.048 1.364 200 HA LEU 53 HA LEU 53 0.632 8.972 -1.038 201 HB2 LEU 53 1HB LEU 53 2.654 10.886 -1.757 202 HB3 LEU 53 2HB LEU 53 0.981 10.802 -2.249 203 HG LEU 53 HG LEU 53 1.593 11.950 0.427 204 HD11 LEU 53 1HD1 LEU 53 2.421 13.084 -2.173 205 HD12 LEU 53 2HD1 LEU 53 3.086 13.336 -0.559 206 HD13 LEU 53 3HD1 LEU 53 1.617 14.180 -1.050 207 HD21 LEU 53 3HD2 LEU 53 -0.396 13.152 0.086 208 HD22 LEU 53 1HD2 LEU 53 -0.729 11.553 -0.575 209 HD23 LEU 53 2HD2 LEU 53 -0.356 12.893 -1.658 210 H ILE 54 H ILE 54 1.665 7.215 -1.712 211 HA ILE 54 HA ILE 54 4.477 6.842 -0.952 212 HB ILE 54 HB ILE 54 4.070 4.475 -1.850 213 HG12 ILE 54 1HG1 ILE 54 1.185 5.320 -1.507 214 HG13 ILE 54 2HG1 ILE 54 1.969 5.029 -3.058 215 HG21 ILE 54 1HG2 ILE 54 3.402 5.726 0.648 216 HG22 ILE 54 2HG2 ILE 54 4.134 4.152 0.339 217 HG23 ILE 54 3HG2 ILE 54 2.377 4.319 0.366 218 HD11 ILE 54 3HD1 ILE 54 0.639 3.124 -2.389 219 HD12 ILE 54 1HD1 ILE 54 1.534 3.004 -0.874 220 HD13 ILE 54 2HD1 ILE 54 2.351 2.701 -2.407 221 H VAL 55 H VAL 55 6.069 7.085 -2.367 222 HA VAL 55 HA VAL 55 5.393 7.437 -5.193 223 HB VAL 55 HB VAL 55 7.956 8.041 -3.711 224 HG11 VAL 55 1HG1 VAL 55 8.980 8.292 -5.662 225 HG12 VAL 55 2HG1 VAL 55 7.730 9.413 -6.202 226 HG13 VAL 55 3HG1 VAL 55 7.541 7.682 -6.479 227 HG21 VAL 55 3HG2 VAL 55 5.885 9.925 -4.827 228 HG22 VAL 55 1HG2 VAL 55 7.333 10.359 -3.916 229 HG23 VAL 55 2HG2 VAL 55 6.026 9.476 -3.127 230 H LEU 56 H LEU 56 5.814 5.969 -6.691 231 HA LEU 56 HA LEU 56 7.874 3.926 -6.190 232 HB2 LEU 56 1HB LEU 56 5.063 3.419 -7.166 233 HB3 LEU 56 2HB LEU 56 6.350 2.231 -7.214 234 HG LEU 56 HG LEU 56 5.679 3.476 -4.589 235 HD11 LEU 56 1HD1 LEU 56 3.882 1.969 -4.181 236 HD12 LEU 56 2HD1 LEU 56 4.112 1.180 -5.741 237 HD13 LEU 56 3HD1 LEU 56 3.516 2.837 -5.671 238 HD21 LEU 56 3HD2 LEU 56 7.576 1.958 -4.789 239 HD22 LEU 56 1HD2 LEU 56 6.518 0.709 -5.440 240 HD23 LEU 56 2HD2 LEU 56 6.309 1.263 -3.779 241 H LYS 57 H LYS 57 8.333 2.642 -8.255 242 HA LYS 57 HA LYS 57 8.557 4.547 -10.471 243 HB2 LYS 57 1HB LYS 57 10.121 2.193 -9.556 244 HB3 LYS 57 2HB LYS 57 10.064 2.482 -11.290 245 HG2 LYS 57 1HG LYS 57 11.426 4.252 -11.161 246 HG3 LYS 57 2HG LYS 57 10.641 4.873 -9.708 247 HD2 LYS 57 1HD LYS 57 12.772 4.336 -8.955 248 HD3 LYS 57 2HD LYS 57 11.830 2.910 -8.511 249 HE2 LYS 57 1HE LYS 57 12.674 2.342 -11.072 250 HE3 LYS 57 2HE LYS 57 14.057 3.183 -10.373 251 HZ1 LYS 57 3HZ LYS 57 14.471 1.499 -8.963 252 HZ2 LYS 57 1HZ LYS 57 13.600 0.574 -10.079 253 HZ3 LYS 57 2HZ LYS 57 12.832 1.153 -8.678 254 H LYS 58 H LYS 58 8.404 3.551 -12.725 255 HA LYS 58 HA LYS 58 5.933 1.987 -12.820 256 HB2 LYS 58 1HB LYS 58 6.174 4.187 -14.048 257 HB3 LYS 58 2HB LYS 58 7.294 3.368 -15.132 258 HG2 LYS 58 1HG LYS 58 5.522 1.768 -15.724 259 HG3 LYS 58 2HG LYS 58 4.405 2.646 -14.681 260 HD2 LYS 58 1HD LYS 58 3.882 3.808 -16.519 261 HD3 LYS 58 2HD LYS 58 5.421 4.637 -16.267 262 HE2 LYS 58 1HE LYS 58 6.005 3.929 -18.297 263 HE3 LYS 58 2HE LYS 58 6.119 2.312 -17.605 264 HZ1 LYS 58 3HZ LYS 58 3.635 2.151 -18.114 265 HZ2 LYS 58 1HZ LYS 58 4.711 2.081 -19.428 266 HZ3 LYS 58 2HZ LYS 58 3.872 3.512 -19.104 267 H SER 59 H SER 59 5.656 0.166 -14.063 268 HA SER 59 HA SER 59 6.136 -1.823 -15.034 269 HB2 SER 59 1HB SER 59 7.165 -0.480 -16.824 270 HB3 SER 59 2HB SER 59 8.696 -0.487 -15.951 271 HG SER 59 HG SER 59 8.500 -2.866 -16.082 272 H VAL 60 H VAL 60 7.191 -1.035 -12.298 273 HA VAL 60 HA VAL 60 9.094 -3.268 -12.033 274 HB VAL 60 HB VAL 60 10.076 -0.941 -11.681 275 HG11 VAL 60 1HG1 VAL 60 8.437 0.217 -10.478 276 HG12 VAL 60 2HG1 VAL 60 9.722 -0.088 -9.309 277 HG13 VAL 60 3HG1 VAL 60 8.263 -1.081 -9.296 278 HG21 VAL 60 3HG2 VAL 60 10.257 -2.971 -9.463 279 HG22 VAL 60 1HG2 VAL 60 11.380 -1.632 -9.697 280 HG23 VAL 60 2HG2 VAL 60 11.249 -2.896 -10.920 281 HA PRO 61 HA PRO 61 6.013 -4.985 -9.309 282 HB2 PRO 61 1HB PRO 61 7.654 -6.734 -7.964 283 HB3 PRO 61 2HB PRO 61 6.955 -7.055 -9.553 284 HG2 PRO 61 1HG PRO 61 9.697 -6.097 -8.845 285 HG3 PRO 61 2HG PRO 61 9.201 -7.262 -10.086 286 HD2 PRO 61 1HD PRO 61 9.855 -4.713 -10.683 287 HD3 PRO 61 2HD PRO 61 8.611 -5.605 -11.583 288 H ALA 62 H ALA 62 5.250 -3.980 -7.547 289 HA ALA 62 HA ALA 62 7.176 -3.211 -5.448 290 HB1 ALA 62 3HB ALA 62 4.873 -1.622 -6.545 291 HB2 ALA 62 1HB ALA 62 6.584 -1.197 -6.539 292 HB3 ALA 62 2HB ALA 62 5.680 -1.235 -5.025 293 H ARG 63 H ARG 63 6.635 -3.657 -3.367 294 HA ARG 63 HA ARG 63 3.982 -4.845 -2.943 295 HB2 ARG 63 1HB ARG 63 4.913 -6.371 -1.343 296 HB3 ARG 63 2HB ARG 63 5.805 -6.500 -2.848 297 HG2 ARG 63 1HG ARG 63 7.305 -4.689 -1.518 298 HG3 ARG 63 2HG ARG 63 6.683 -5.666 -0.189 299 HD2 ARG 63 1HD ARG 63 7.617 -7.221 -2.483 300 HD3 ARG 63 2HD ARG 63 8.872 -6.269 -1.697 301 HE ARG 63 HE ARG 63 7.292 -8.410 -0.463 302 HH11 ARG 63 1HH1 ARG 63 9.945 -6.180 -0.316 303 HH12 ARG 63 2HH1 ARG 63 10.658 -6.930 1.067 304 HH21 ARG 63 1HH2 ARG 63 8.235 -9.384 1.340 305 HH22 ARG 63 2HH2 ARG 63 9.698 -8.737 1.996 306 H ILE 64 H ILE 64 2.713 -3.934 -1.540 307 HA ILE 64 HA ILE 64 3.782 -1.817 0.191 308 HB ILE 64 HB ILE 64 0.855 -2.385 -0.138 309 HG12 ILE 64 1HG1 ILE 64 1.995 -2.260 -2.414 310 HG13 ILE 64 2HG1 ILE 64 0.699 -1.104 -2.133 311 HG21 ILE 64 1HG2 ILE 64 1.749 -0.747 1.540 312 HG22 ILE 64 2HG2 ILE 64 0.579 -0.090 0.395 313 HG23 ILE 64 3HG2 ILE 64 2.300 0.234 0.183 314 HD11 ILE 64 3HD1 ILE 64 2.059 0.589 -2.549 315 HD12 ILE 64 1HD1 ILE 64 3.298 -0.581 -3.001 316 HD13 ILE 64 2HD1 ILE 64 3.219 0.025 -1.346 317 H VAL 65 H VAL 65 4.259 -2.358 2.224 318 HA VAL 65 HA VAL 65 3.022 -4.707 3.440 319 HB VAL 65 HB VAL 65 5.101 -2.957 4.738 320 HG11 VAL 65 1HG1 VAL 65 5.461 -5.713 5.244 321 HG12 VAL 65 2HG1 VAL 65 3.744 -5.366 5.441 322 HG13 VAL 65 3HG1 VAL 65 4.939 -4.457 6.366 323 HG21 VAL 65 3HG2 VAL 65 6.071 -5.359 3.365 324 HG22 VAL 65 1HG2 VAL 65 6.782 -3.749 3.477 325 HG23 VAL 65 2HG2 VAL 65 5.519 -4.075 2.289 326 H PHE 66 H PHE 66 1.088 -4.364 4.357 327 HA PHE 66 HA PHE 66 0.573 -1.831 5.734 328 HB2 PHE 66 1HB PHE 66 -1.213 -4.088 4.834 329 HB3 PHE 66 2HB PHE 66 -1.795 -2.794 5.879 330 HD1 PHE 66 HD2 PHE 66 -1.401 -0.376 5.009 331 HD2 PHE 66 HD1 PHE 66 -1.320 -3.843 2.546 332 HE1 PHE 66 HE2 PHE 66 -1.816 1.025 3.030 333 HE2 PHE 66 HE1 PHE 66 -1.735 -2.448 0.562 334 HZ PHE 66 HZ PHE 66 -1.981 -0.010 0.805 335 H ASP 67 H ASP 67 1.403 -1.849 7.737 336 HA ASP 67 HA ASP 67 1.185 -4.224 9.420 337 HB2 ASP 67 1HB ASP 67 3.231 -2.616 9.244 338 HB3 ASP 67 2HB ASP 67 2.300 -1.577 10.319 339 H ARG 68 H ARG 68 -0.797 -4.513 10.293 340 HA ARG 68 HA ARG 68 -2.489 -2.273 10.945 341 HB2 ARG 68 1HB ARG 68 -2.916 -4.954 10.323 342 HB3 ARG 68 2HB ARG 68 -3.399 -4.810 12.008 343 HG2 ARG 68 1HG ARG 68 -4.473 -2.584 10.645 344 HG3 ARG 68 2HG ARG 68 -4.805 -4.012 9.666 345 HD2 ARG 68 1HD ARG 68 -5.277 -4.241 12.580 346 HD3 ARG 68 2HD ARG 68 -6.387 -3.217 11.668 347 HE ARG 68 HE ARG 68 -5.932 -5.834 10.537 348 HH11 ARG 68 1HH1 ARG 68 -7.903 -3.910 12.643 349 HH12 ARG 68 2HH1 ARG 68 -9.266 -4.967 12.527 350 HH21 ARG 68 1HH2 ARG 68 -7.703 -7.197 10.378 351 HH22 ARG 68 2HH2 ARG 68 -9.162 -6.817 11.250 352 H LYS 69 H LYS 69 -1.850 -1.092 12.618 353 HA LYS 69 HA LYS 69 -1.012 -2.391 15.105 354 HB2 LYS 69 1HB LYS 69 0.459 -0.647 14.421 355 HB3 LYS 69 2HB LYS 69 -0.874 0.448 14.094 356 HG2 LYS 69 1HG LYS 69 0.149 1.192 16.085 357 HG3 LYS 69 2HG LYS 69 -1.365 0.420 16.561 358 HD2 LYS 69 1HD LYS 69 -0.246 -0.951 17.904 359 HD3 LYS 69 2HD LYS 69 0.663 -1.568 16.523 360 HE2 LYS 69 1HE LYS 69 2.299 0.214 16.782 361 HE3 LYS 69 2HE LYS 69 1.374 0.889 18.124 362 HZ1 LYS 69 3HZ LYS 69 3.119 -0.374 19.055 363 HZ2 LYS 69 1HZ LYS 69 2.822 -1.697 18.043 364 HZ3 LYS 69 2HZ LYS 69 1.720 -1.302 19.262 365 H ASP 70 H ASP 70 -3.530 -0.308 13.792 366 HA ASP 70 HA ASP 70 -4.913 -0.328 16.386 367 HB2 ASP 70 1HB ASP 70 -4.481 1.829 15.045 368 HB3 ASP 70 2HB ASP 70 -5.756 1.262 13.971 369 HA PRO 71 HA PRO 71 -7.668 -3.411 14.689 370 HB2 PRO 71 1HB PRO 71 -9.243 -3.730 16.820 371 HB3 PRO 71 2HB PRO 71 -7.547 -4.238 16.856 372 HG2 PRO 71 1HG PRO 71 -8.800 -1.739 17.941 373 HG3 PRO 71 2HG PRO 71 -7.613 -2.814 18.707 374 HD2 PRO 71 1HD PRO 71 -6.957 -0.472 17.440 375 HD3 PRO 71 2HD PRO 71 -5.850 -1.852 17.596 376 H SER 72 H SER 72 -8.189 -0.652 13.939 377 HA SER 72 HA SER 72 -10.894 0.039 14.485 378 HB2 SER 72 1HB SER 72 -8.782 0.999 12.611 379 HB3 SER 72 2HB SER 72 -10.453 1.436 12.258 380 HG SER 72 HG SER 72 -8.996 1.967 14.646 381 HA PRO 73 HA PRO 73 -13.038 -2.757 11.788 382 HB2 PRO 73 1HB PRO 73 -15.295 -1.268 11.367 383 HB3 PRO 73 2HB PRO 73 -14.989 -2.199 12.839 384 HG2 PRO 73 1HG PRO 73 -14.575 0.724 12.325 385 HG3 PRO 73 2HG PRO 73 -15.282 -0.071 13.747 386 HD2 PRO 73 1HD PRO 73 -12.753 0.818 13.761 387 HD3 PRO 73 2HD PRO 73 -13.205 -0.689 14.588 388 H CYS 74 H CYS 74 -12.723 0.646 10.863 389 HA CYS 74 HA CYS 74 -13.369 0.201 8.109 390 HB2 CYS 74 1HB CYS 74 -12.309 2.551 7.886 391 HB3 CYS 74 2HB CYS 74 -13.797 2.387 8.812 392 HG CYS 74 HG CYS 74 -10.637 2.795 10.052 393 H LEU 75 H LEU 75 -10.645 -0.488 9.941 394 HA LEU 75 HA LEU 75 -8.886 -0.381 7.580 395 HB2 LEU 75 1HB LEU 75 -8.277 -0.245 10.523 396 HB3 LEU 75 2HB LEU 75 -7.039 -0.585 9.328 397 HG LEU 75 HG LEU 75 -8.734 1.903 9.230 398 HD11 LEU 75 1HD1 LEU 75 -6.134 2.523 10.089 399 HD12 LEU 75 2HD1 LEU 75 -6.706 1.216 11.125 400 HD13 LEU 75 3HD1 LEU 75 -7.644 2.702 10.984 401 HD21 LEU 75 3HD2 LEU 75 -7.730 1.655 7.158 402 HD22 LEU 75 1HD2 LEU 75 -6.278 0.916 7.836 403 HD23 LEU 75 2HD2 LEU 75 -6.558 2.647 8.027 404 H ASP 76 H ASP 76 -10.854 -2.503 8.748 405 HA ASP 76 HA ASP 76 -9.278 -4.747 9.479 406 HB2 ASP 76 1HB ASP 76 -11.824 -4.300 9.802 407 HB3 ASP 76 2HB ASP 76 -11.981 -4.989 8.189 408 H GLN 77 H GLN 77 -10.450 -3.534 6.394 409 HA GLN 77 HA GLN 77 -8.802 -5.556 5.035 410 HB2 GLN 77 1HB GLN 77 -11.612 -4.703 4.339 411 HB3 GLN 77 2HB GLN 77 -10.557 -5.517 3.192 412 HG2 GLN 77 1HG GLN 77 -10.528 -7.494 4.455 413 HG3 GLN 77 2HG GLN 77 -11.186 -6.691 5.879 414 HE21 GLN 77 2HE2 GLN 77 -11.962 -8.907 3.772 415 HE22 GLN 77 1HE2 GLN 77 -13.658 -8.614 3.573 416 H ILE 78 H ILE 78 -8.293 -4.916 2.746 417 HA ILE 78 HA ILE 78 -8.306 -2.012 2.332 418 HB ILE 78 HB ILE 78 -6.145 -2.470 3.368 419 HG12 ILE 78 1HG1 ILE 78 -4.934 -2.030 0.844 420 HG13 ILE 78 2HG1 ILE 78 -6.539 -1.313 0.775 421 HG21 ILE 78 1HG2 ILE 78 -5.732 -4.743 2.909 422 HG22 ILE 78 2HG2 ILE 78 -4.471 -3.848 2.061 423 HG23 ILE 78 3HG2 ILE 78 -5.846 -4.491 1.166 424 HD11 ILE 78 3HD1 ILE 78 -4.561 0.115 1.576 425 HD12 ILE 78 1HD1 ILE 78 -4.736 -0.768 3.091 426 HD13 ILE 78 2HD1 ILE 78 -6.080 0.190 2.468 427 H VAL 79 H VAL 79 -8.667 -1.415 0.267 428 HA VAL 79 HA VAL 79 -8.258 -3.400 -1.841 429 HB VAL 79 HB VAL 79 -10.493 -3.791 -1.747 430 HG11 VAL 79 1HG1 VAL 79 -11.943 -2.708 -0.473 431 HG12 VAL 79 2HG1 VAL 79 -11.624 -1.159 -1.257 432 HG13 VAL 79 3HG1 VAL 79 -10.566 -1.729 0.034 433 HG21 VAL 79 3HG2 VAL 79 -10.345 -1.288 -3.414 434 HG22 VAL 79 1HG2 VAL 79 -11.753 -2.349 -3.358 435 HG23 VAL 79 2HG2 VAL 79 -10.212 -2.960 -3.959 436 H PHE 80 H PHE 80 -7.399 -2.659 -3.618 437 HA PHE 80 HA PHE 80 -6.856 0.204 -3.853 438 HB2 PHE 80 1HB PHE 80 -5.678 -2.302 -4.991 439 HB3 PHE 80 2HB PHE 80 -5.456 -0.799 -5.869 440 HD1 PHE 80 HD1 PHE 80 -5.009 -2.285 -2.489 441 HD2 PHE 80 HD2 PHE 80 -3.686 0.586 -5.338 442 HE1 PHE 80 HE1 PHE 80 -3.101 -1.734 -1.038 443 HE2 PHE 80 HE2 PHE 80 -1.771 1.143 -3.891 444 HZ PHE 80 HZ PHE 80 -1.478 -0.020 -1.740 445 HA PRO 81 HA PRO 81 -10.441 0.075 -6.673 446 HB2 PRO 81 1HB PRO 81 -10.654 2.784 -6.922 447 HB3 PRO 81 2HB PRO 81 -11.340 1.864 -5.579 448 HG2 PRO 81 1HG PRO 81 -8.797 3.430 -5.702 449 HG3 PRO 81 2HG PRO 81 -9.991 3.333 -4.394 450 HD2 PRO 81 1HD PRO 81 -7.660 1.966 -4.344 451 HD3 PRO 81 2HD PRO 81 -9.148 1.337 -3.608 452 H ASP 82 H ASP 82 -7.295 1.420 -7.171 453 HA ASP 82 HA ASP 82 -7.870 1.894 -10.004 454 HB2 ASP 82 1HB ASP 82 -5.496 2.651 -8.295 455 HB3 ASP 82 2HB ASP 82 -5.593 2.938 -10.030 456 H PHE 83 H PHE 83 -6.709 -0.579 -8.057 457 HA PHE 83 HA PHE 83 -5.194 -1.724 -10.315 458 HB2 PHE 83 1HB PHE 83 -4.707 -1.902 -7.355 459 HB3 PHE 83 2HB PHE 83 -4.082 -3.135 -8.444 460 HD1 PHE 83 HD1 PHE 83 -3.869 0.383 -7.441 461 HD2 PHE 83 HD2 PHE 83 -2.277 -2.659 -9.957 462 HE1 PHE 83 HE1 PHE 83 -1.930 1.808 -7.931 463 HE2 PHE 83 HE2 PHE 83 -0.333 -1.235 -10.451 464 HZ PHE 83 HZ PHE 83 -0.161 1.004 -9.436 465 H GLY 84 H GLY 84 -7.789 -2.167 -8.074 466 HA2 GLY 84 1HA GLY 84 -9.505 -3.735 -8.168 467 HA3 GLY 84 2HA GLY 84 -8.654 -4.546 -9.475 468 H VAL 85 H VAL 85 -7.188 -3.783 -6.404 469 HA VAL 85 HA VAL 85 -7.013 -6.666 -5.809 470 HB VAL 85 HB VAL 85 -5.067 -4.421 -5.284 471 HG11 VAL 85 1HG1 VAL 85 -4.401 -5.460 -3.442 472 HG12 VAL 85 2HG1 VAL 85 -3.858 -6.785 -4.471 473 HG13 VAL 85 3HG1 VAL 85 -5.467 -6.832 -3.749 474 HG21 VAL 85 3HG2 VAL 85 -3.526 -5.957 -6.525 475 HG22 VAL 85 1HG2 VAL 85 -4.855 -5.302 -7.481 476 HG23 VAL 85 2HG2 VAL 85 -4.928 -6.963 -6.891 477 H HIS 86 H HIS 86 -8.221 -7.265 -4.111 478 HA HIS 86 HA HIS 86 -8.443 -5.415 -1.829 479 HB2 HIS 86 1HB HIS 86 -10.591 -5.371 -2.883 480 HB3 HIS 86 2HB HIS 86 -10.614 -7.113 -3.062 481 HD1 HIS 86 HD1 HIS 86 -12.186 -8.169 -1.488 482 HD2 HIS 86 HD2 HIS 86 -10.445 -4.767 0.145 483 HE1 HIS 86 HE1 HIS 86 -13.185 -7.938 0.805 484 H ALA 87 H ALA 87 -7.663 -6.211 -0.009 485 HA ALA 87 HA ALA 87 -7.755 -9.114 0.458 486 HB1 ALA 87 3HB ALA 87 -5.363 -8.553 1.560 487 HB2 ALA 87 1HB ALA 87 -5.352 -7.428 0.201 488 HB3 ALA 87 2HB ALA 87 -5.566 -9.155 -0.086 489 H ASN 88 H ASN 88 -7.052 -9.606 2.791 490 HA ASN 88 HA ASN 88 -8.356 -7.648 4.561 491 HB2 ASN 88 1HB ASN 88 -7.834 -10.468 5.416 492 HB3 ASN 88 2HB ASN 88 -9.145 -9.385 5.876 493 HD21 ASN 88 2HD2 ASN 88 -8.294 -12.009 4.021 494 HD22 ASN 88 1HD2 ASN 88 -9.665 -12.048 2.973 495 H LEU 89 H LEU 89 -7.373 -6.988 6.476 496 HA LEU 89 HA LEU 89 -4.493 -7.580 6.620 497 HB2 LEU 89 1HB LEU 89 -5.966 -5.284 7.908 498 HB3 LEU 89 2HB LEU 89 -4.230 -5.499 7.807 499 HG LEU 89 HG LEU 89 -6.019 -5.082 5.414 500 HD11 LEU 89 1HD1 LEU 89 -4.482 -3.163 7.122 501 HD12 LEU 89 2HD1 LEU 89 -6.139 -3.046 6.528 502 HD13 LEU 89 3HD1 LEU 89 -4.788 -2.824 5.418 503 HD21 LEU 89 3HD2 LEU 89 -3.061 -5.339 5.802 504 HD22 LEU 89 1HD2 LEU 89 -3.730 -4.459 4.428 505 HD23 LEU 89 2HD2 LEU 89 -4.108 -6.167 4.650 506 HA PRO 90 HA PRO 90 -5.388 -9.727 10.427 507 HB2 PRO 90 1HB PRO 90 -2.878 -10.553 10.952 508 HB3 PRO 90 2HB PRO 90 -3.855 -11.268 9.663 509 HG2 PRO 90 1HG PRO 90 -1.633 -9.287 9.482 510 HG3 PRO 90 2HG PRO 90 -2.041 -10.621 8.393 511 HD2 PRO 90 1HD PRO 90 -2.669 -7.953 7.969 512 HD3 PRO 90 2HD PRO 90 -3.469 -9.328 7.185 513 H MET 91 H MET 91 -5.685 -8.840 12.374 514 HA MET 91 HA MET 91 -4.472 -6.422 13.176 515 HB2 MET 91 1HB MET 91 -6.689 -7.015 13.939 516 HB3 MET 91 2HB MET 91 -6.068 -8.445 14.752 517 HG2 MET 91 1HG MET 91 -6.586 -6.555 16.266 518 HG3 MET 91 2HG MET 91 -4.924 -7.125 16.366 519 HE1 MET 91 3HE MET 91 -4.878 -4.639 17.779 520 HE2 MET 91 1HE MET 91 -3.737 -3.620 16.899 521 HE3 MET 91 2HE MET 91 -3.411 -5.341 17.098 522 H GLY 92 H GLY 92 -2.603 -6.023 14.140 523 HA2 GLY 92 1HA GLY 92 -0.863 -6.312 15.678 524 HA3 GLY 92 2HA GLY 92 -1.417 -7.953 15.967 525 H GLU 93 H GLU 93 -1.299 -7.553 12.692 526 HA GLU 93 HA GLU 93 1.525 -8.336 12.482 527 HB2 GLU 93 1HB GLU 93 -0.788 -9.776 11.167 528 HB3 GLU 93 2HB GLU 93 0.911 -10.116 10.880 529 HG2 GLU 93 1HG GLU 93 1.185 -10.812 13.186 530 HG3 GLU 93 2HG GLU 93 -0.496 -10.400 13.526 531 H GLU 94 H GLU 94 2.042 -8.546 9.972 532 HA GLU 94 HA GLU 94 0.894 -6.159 8.687 533 HB2 GLU 94 1HB GLU 94 3.114 -5.940 7.524 534 HB3 GLU 94 2HB GLU 94 3.140 -5.638 9.255 535 HG2 GLU 94 1HG GLU 94 3.666 -8.381 8.888 536 HG3 GLU 94 2HG GLU 94 4.658 -7.498 7.731 537 H TYR 95 H TYR 95 0.127 -6.302 6.679 538 HA TYR 95 HA TYR 95 0.427 -8.882 5.275 539 HB2 TYR 95 1HB TYR 95 -1.895 -8.068 6.133 540 HB3 TYR 95 2HB TYR 95 -1.834 -6.966 4.765 541 HD1 TYR 95 HD1 TYR 95 -1.907 -10.522 5.752 542 HD2 TYR 95 HD2 TYR 95 -2.216 -7.747 2.542 543 HE1 TYR 95 HE1 TYR 95 -2.758 -12.310 4.297 544 HE2 TYR 95 HE2 TYR 95 -3.068 -9.528 1.078 545 HH TYR 95 HH TYR 95 -2.920 -12.059 0.976 546 H VAL 96 H VAL 96 1.414 -8.840 3.341 547 HA VAL 96 HA VAL 96 2.037 -6.215 2.220 548 HB VAL 96 HB VAL 96 3.814 -8.028 2.765 549 HG11 VAL 96 1HG1 VAL 96 2.368 -9.491 0.914 550 HG12 VAL 96 2HG1 VAL 96 3.983 -9.862 1.517 551 HG13 VAL 96 3HG1 VAL 96 3.788 -8.949 0.019 552 HG21 VAL 96 3HG2 VAL 96 4.579 -6.053 1.832 553 HG22 VAL 96 1HG2 VAL 96 3.679 -6.294 0.334 554 HG23 VAL 96 2HG2 VAL 96 5.112 -7.265 0.670 555 H VAL 97 H VAL 97 1.451 -5.530 0.269 556 HA VAL 97 HA VAL 97 -0.205 -7.326 -1.394 557 HB VAL 97 HB VAL 97 -0.383 -4.327 -1.024 558 HG11 VAL 97 1HG1 VAL 97 -0.685 -5.042 -3.413 559 HG12 VAL 97 2HG1 VAL 97 -2.085 -4.246 -2.695 560 HG13 VAL 97 3HG1 VAL 97 -2.069 -5.998 -2.883 561 HG21 VAL 97 3HG2 VAL 97 -2.784 -5.004 -0.447 562 HG22 VAL 97 1HG2 VAL 97 -1.523 -5.363 0.734 563 HG23 VAL 97 2HG2 VAL 97 -2.147 -6.643 -0.307 564 H GLU 98 H GLU 98 0.918 -7.993 -3.105 565 HA GLU 98 HA GLU 98 3.043 -6.318 -4.200 566 HB2 GLU 98 1HB GLU 98 2.334 -9.203 -4.351 567 HB3 GLU 98 2HB GLU 98 3.206 -8.512 -5.714 568 HG2 GLU 98 1HG GLU 98 5.095 -8.093 -4.471 569 HG3 GLU 98 2HG GLU 98 4.206 -8.037 -2.948 570 H ILE 99 H ILE 99 2.660 -4.984 -5.828 571 HA ILE 99 HA ILE 99 0.736 -5.778 -7.914 572 HB ILE 99 HB ILE 99 0.321 -3.138 -7.987 573 HG12 ILE 99 1HG1 ILE 99 0.596 -3.695 -5.027 574 HG13 ILE 99 2HG1 ILE 99 1.787 -2.804 -5.966 575 HG21 ILE 99 1HG2 ILE 99 -1.102 -5.179 -6.295 576 HG22 ILE 99 2HG2 ILE 99 -1.462 -4.702 -7.954 577 HG23 ILE 99 3HG2 ILE 99 -1.748 -3.573 -6.628 578 HD11 ILE 99 3HD1 ILE 99 -0.703 -1.913 -4.817 579 HD12 ILE 99 1HD1 ILE 99 -0.609 -1.542 -6.537 580 HD13 ILE 99 2HD1 ILE 99 0.652 -0.976 -5.444 581 H THR 100 H THR 100 1.056 -4.704 -9.970 582 HA THR 100 HA THR 100 3.811 -3.703 -10.309 583 HB THR 100 HB THR 100 2.321 -5.188 -12.462 584 HG1 THR 100 HG1 THR 100 3.327 -7.071 -11.753 585 HG21 THR 100 3HG2 THR 100 5.290 -4.952 -12.016 586 HG22 THR 100 1HG2 THR 100 4.374 -3.757 -12.936 587 HG23 THR 100 2HG2 THR 100 4.438 -5.432 -13.485 588 HA PRO 101 HA PRO 101 1.250 -0.252 -11.846 589 HB2 PRO 101 1HB PRO 101 3.110 1.658 -11.425 590 HB3 PRO 101 2HB PRO 101 2.110 1.012 -10.117 591 HG2 PRO 101 1HG PRO 101 4.919 0.292 -10.882 592 HG3 PRO 101 2HG PRO 101 4.253 0.613 -9.272 593 HD2 PRO 101 1HD PRO 101 4.638 -1.892 -10.209 594 HD3 PRO 101 2HD PRO 101 3.307 -1.486 -9.108 595 H GLU 102 H GLU 102 1.207 -0.759 -14.037 596 HA GLU 102 HA GLU 102 3.649 -0.389 -15.603 597 HB2 GLU 102 1HB GLU 102 0.936 -1.468 -16.374 598 HB3 GLU 102 2HB GLU 102 2.300 -1.334 -17.472 599 HG2 GLU 102 1HG GLU 102 3.232 -3.206 -16.708 600 HG3 GLU 102 2HG GLU 102 2.974 -2.747 -15.027 601 H GLN 103 H GLN 103 1.490 1.672 -14.465 602 HA GLN 103 HA GLN 103 1.625 3.393 -16.841 603 HB2 GLN 103 1HB GLN 103 -0.746 2.313 -15.720 604 HB3 GLN 103 2HB GLN 103 -0.720 4.024 -15.317 605 HG2 GLN 103 1HG GLN 103 -0.643 4.662 -17.585 606 HG3 GLN 103 2HG GLN 103 -0.271 3.020 -18.110 607 HE21 GLN 103 2HE2 GLN 103 -1.900 1.707 -18.637 608 HE22 GLN 103 1HE2 GLN 103 -3.575 2.065 -18.416 609 H ALA 104 H ALA 104 2.301 5.433 -16.443 610 HA ALA 104 HA ALA 104 3.043 6.088 -13.708 611 HB1 ALA 104 3HB ALA 104 3.703 8.165 -15.563 612 HB2 ALA 104 1HB ALA 104 4.165 6.602 -16.235 613 HB3 ALA 104 2HB ALA 104 4.775 7.097 -14.655 614 H GLY 105 H GLY 105 1.975 7.448 -12.440 615 HA2 GLY 105 1HA GLY 105 0.787 9.829 -13.012 616 HA3 GLY 105 2HA GLY 105 -0.470 8.654 -13.366 617 H GLU 106 H GLU 106 -1.719 9.634 -11.688 618 HA GLU 106 HA GLU 106 -0.759 9.157 -8.959 619 HB2 GLU 106 1HB GLU 106 -2.300 11.234 -10.180 620 HB3 GLU 106 2HB GLU 106 -3.276 10.465 -8.936 621 HG2 GLU 106 1HG GLU 106 -1.760 11.008 -7.244 622 HG3 GLU 106 2HG GLU 106 -0.468 11.356 -8.392 623 H PHE 107 H PHE 107 -1.475 7.529 -7.811 624 HA PHE 107 HA PHE 107 -3.993 6.194 -8.598 625 HB2 PHE 107 1HB PHE 107 -1.420 5.035 -7.514 626 HB3 PHE 107 2HB PHE 107 -2.928 4.127 -7.553 627 HD1 PHE 107 HD1 PHE 107 -0.295 5.679 -9.592 628 HD2 PHE 107 HD2 PHE 107 -3.770 3.235 -9.593 629 HE1 PHE 107 HE1 PHE 107 0.185 5.006 -11.910 630 HE2 PHE 107 HE2 PHE 107 -3.301 2.555 -11.911 631 HZ PHE 107 HZ PHE 107 -1.319 3.443 -13.072 632 H SER 108 H SER 108 -4.878 4.857 -6.601 633 HA SER 108 HA SER 108 -4.350 6.149 -4.059 634 HB2 SER 108 1HB SER 108 -6.605 6.970 -3.713 635 HB3 SER 108 2HB SER 108 -5.959 7.670 -5.197 636 HG SER 108 HG SER 108 -7.079 5.774 -6.234 637 H PHE 109 H PHE 109 -5.451 5.199 -2.264 638 HA PHE 109 HA PHE 109 -6.912 2.722 -2.694 639 HB2 PHE 109 1HB PHE 109 -5.441 1.439 -1.141 640 HB3 PHE 109 2HB PHE 109 -4.668 1.857 -2.663 641 HD1 PHE 109 HD2 PHE 109 -2.935 3.625 -2.720 642 HD2 PHE 109 HD1 PHE 109 -4.606 2.224 0.935 643 HE1 PHE 109 HE2 PHE 109 -1.041 4.593 -1.487 644 HE2 PHE 109 HE1 PHE 109 -2.711 3.188 2.174 645 HZ PHE 109 HZ PHE 109 -0.925 4.374 0.963 646 H ALA 110 H ALA 110 -8.422 2.347 -1.157 647 HA ALA 110 HA ALA 110 -8.214 3.403 1.507 648 HB1 ALA 110 3HB ALA 110 -9.783 5.099 1.476 649 HB2 ALA 110 1HB ALA 110 -10.525 4.529 -0.019 650 HB3 ALA 110 2HB ALA 110 -8.960 5.340 -0.066 651 H CYS 111 H CYS 111 -10.150 2.899 2.823 652 HA CYS 111 HA CYS 111 -12.074 1.043 1.722 653 HB2 CYS 111 1HB CYS 111 -9.877 -0.212 2.418 654 HB3 CYS 111 2HB CYS 111 -10.501 0.003 4.049 655 HG CYS 111 HG CYS 111 -12.072 -1.668 1.508 656 H GLY 112 H GLY 112 -13.774 0.492 3.249 657 HA2 GLY 112 1HA GLY 112 -15.061 0.807 5.172 658 HA3 GLY 112 2HA GLY 112 -13.827 1.893 5.790 659 H MET 113 H MET 113 -14.301 3.026 2.801 660 HA MET 113 HA MET 113 -15.301 4.865 1.925 661 HB2 MET 113 1HB MET 113 -17.386 3.162 2.890 662 HB3 MET 113 2HB MET 113 -17.869 4.836 3.134 663 HG2 MET 113 1HG MET 113 -18.639 3.998 0.990 664 HG3 MET 113 2HG MET 113 -17.478 5.309 0.782 665 HE1 MET 113 3HE MET 113 -15.388 5.133 -0.700 666 HE2 MET 113 1HE MET 113 -16.875 4.901 -1.621 667 HE3 MET 113 2HE MET 113 -15.469 3.885 -1.944 668 H ASN 114 H ASN 114 -13.711 5.597 3.920 669 HA ASN 114 HA ASN 114 -15.258 7.622 5.399 670 HB2 ASN 114 1HB ASN 114 -13.863 5.605 6.561 671 HB3 ASN 114 2HB ASN 114 -12.618 6.848 6.480 672 HD21 ASN 114 2HD2 ASN 114 -15.335 5.715 8.131 673 HD22 ASN 114 1HD2 ASN 114 -15.523 7.041 9.220 674 H MET 115 H MET 115 -13.344 9.251 6.334 675 HA MET 115 HA MET 115 -12.552 10.705 4.000 676 HB2 MET 115 1HB MET 115 -13.169 11.448 6.510 677 HB3 MET 115 2HB MET 115 -11.416 11.451 6.634 678 HG2 MET 115 1HG MET 115 -11.832 12.789 4.287 679 HG3 MET 115 2HG MET 115 -13.208 13.300 5.264 680 HE1 MET 115 3HE MET 115 -9.440 12.815 5.077 681 HE2 MET 115 1HE MET 115 -8.792 14.247 5.878 682 HE3 MET 115 2HE MET 115 -9.662 14.408 4.352 683 H MET 116 H MET 116 -10.888 8.645 6.312 684 HA MET 116 HA MET 116 -8.243 9.330 5.593 685 HB2 MET 116 1HB MET 116 -7.771 6.946 6.533 686 HB3 MET 116 2HB MET 116 -8.353 8.204 7.614 687 HG2 MET 116 1HG MET 116 -10.302 7.155 8.000 688 HG3 MET 116 2HG MET 116 -10.444 6.582 6.339 689 HE1 MET 116 3HE MET 116 -10.145 3.556 6.080 690 HE2 MET 116 1HE MET 116 -8.381 3.545 6.068 691 HE3 MET 116 2HE MET 116 -9.261 4.883 5.327 692 H HIS 117 H HIS 117 -7.208 8.984 3.755 693 HA HIS 117 HA HIS 117 -7.578 6.497 2.302 694 HB2 HIS 117 1HB HIS 117 -8.031 7.590 0.158 695 HB3 HIS 117 2HB HIS 117 -9.294 7.952 1.325 696 HD1 HIS 117 HD1 HIS 117 -9.171 10.426 2.414 697 HD2 HIS 117 HD2 HIS 117 -6.847 9.773 -0.982 698 HE1 HIS 117 HE1 HIS 117 -8.579 12.711 1.543 699 H GLY 118 H GLY 118 -5.889 6.025 0.817 700 HA2 GLY 118 1HA GLY 118 -3.469 7.646 1.299 701 HA3 GLY 118 2HA GLY 118 -3.469 5.920 0.974 702 H LYS 119 H LYS 119 -2.062 8.120 -0.385 703 HA LYS 119 HA LYS 119 -3.184 7.751 -3.089 704 HB2 LYS 119 1HB LYS 119 -3.109 10.118 -2.002 705 HB3 LYS 119 2HB LYS 119 -1.394 10.048 -2.377 706 HG2 LYS 119 1HG LYS 119 -1.737 10.451 -4.544 707 HG3 LYS 119 2HG LYS 119 -3.086 9.317 -4.632 708 HD2 LYS 119 1HD LYS 119 -4.092 11.364 -5.080 709 HD3 LYS 119 2HD LYS 119 -4.405 11.136 -3.358 710 HE2 LYS 119 1HE LYS 119 -3.138 12.897 -2.776 711 HE3 LYS 119 2HE LYS 119 -1.883 12.503 -3.951 712 HZ1 LYS 119 3HZ LYS 119 -3.076 14.639 -4.353 713 HZ2 LYS 119 1HZ LYS 119 -4.474 13.746 -4.689 714 HZ3 LYS 119 2HZ LYS 119 -3.099 13.569 -5.674 715 H MET 120 H MET 120 -1.746 7.359 -4.793 716 HA MET 120 HA MET 120 1.033 6.749 -4.015 717 HB2 MET 120 1HB MET 120 -0.215 4.652 -4.113 718 HB3 MET 120 2HB MET 120 -0.778 5.041 -5.729 719 HG2 MET 120 1HG MET 120 1.937 5.210 -6.004 720 HG3 MET 120 2HG MET 120 1.751 3.893 -4.847 721 HE1 MET 120 3HE MET 120 1.064 1.736 -5.229 722 HE2 MET 120 1HE MET 120 0.441 1.008 -6.712 723 HE3 MET 120 2HE MET 120 -0.624 1.972 -5.688 724 H ILE 121 H ILE 121 2.595 7.348 -5.457 725 HA ILE 121 HA ILE 121 1.656 8.470 -8.022 726 HB ILE 121 HB ILE 121 3.887 9.515 -6.268 727 HG12 ILE 121 1HG1 ILE 121 2.239 11.617 -6.814 728 HG13 ILE 121 2HG1 ILE 121 1.081 10.293 -6.767 729 HG21 ILE 121 1HG2 ILE 121 4.147 11.269 -7.995 730 HG22 ILE 121 2HG2 ILE 121 3.025 10.380 -9.028 731 HG23 ILE 121 3HG2 ILE 121 4.573 9.660 -8.580 732 HD11 ILE 121 3HD1 ILE 121 1.520 9.829 -4.538 733 HD12 ILE 121 1HD1 ILE 121 1.547 11.590 -4.614 734 HD13 ILE 121 2HD1 ILE 121 3.060 10.689 -4.562 735 H VAL 122 H VAL 122 2.368 7.377 -9.707 736 HA VAL 122 HA VAL 122 4.797 5.748 -9.429 737 HB VAL 122 HB VAL 122 2.600 5.598 -11.500 738 HG11 VAL 122 1HG1 VAL 122 4.644 3.465 -11.096 739 HG12 VAL 122 2HG1 VAL 122 5.054 4.879 -12.067 740 HG13 VAL 122 3HG1 VAL 122 3.692 3.856 -12.528 741 HG21 VAL 122 3HG2 VAL 122 3.214 3.496 -9.461 742 HG22 VAL 122 1HG2 VAL 122 1.720 3.788 -10.352 743 HG23 VAL 122 2HG2 VAL 122 2.193 4.872 -9.044 744 H GLU 123 H GLU 123 6.621 6.379 -10.357 745 HA GLU 123 HA GLU 123 6.606 8.641 -12.186 746 HB2 GLU 123 1HB GLU 123 8.691 7.196 -10.607 747 HB3 GLU 123 2HB GLU 123 9.193 8.154 -11.993 748 HG2 GLU 123 1HG GLU 123 7.354 9.529 -10.178 749 HG3 GLU 123 2HG GLU 123 8.904 9.094 -9.461 Start of MODEL 11 1 HA2 GLY 26 1HA GLY 26 6.915 20.632 0.684 2 HA3 GLY 26 2HA GLY 26 8.670 20.714 0.642 3 H ALA 27 H ALA 27 7.944 19.228 3.441 4 HA ALA 27 HA ALA 27 8.622 16.612 2.386 5 HB1 ALA 27 3HB ALA 27 8.091 16.486 5.171 6 HB2 ALA 27 1HB ALA 27 8.987 17.972 4.850 7 HB3 ALA 27 2HB ALA 27 9.647 16.416 4.344 8 H MET 28 H MET 28 6.508 16.543 1.193 9 HA MET 28 HA MET 28 4.367 15.497 2.934 10 HB2 MET 28 1HB MET 28 4.272 17.534 0.982 11 HB3 MET 28 2HB MET 28 3.424 16.154 0.298 12 HG2 MET 28 1HG MET 28 2.837 17.244 3.034 13 HG3 MET 28 2HG MET 28 2.019 17.801 1.576 14 HE1 MET 28 3HE MET 28 -0.743 15.417 1.070 15 HE2 MET 28 1HE MET 28 0.450 16.242 0.068 16 HE3 MET 28 2HE MET 28 -0.319 17.094 1.406 17 H GLY 29 H GLY 29 4.100 13.367 2.808 18 HA2 GLY 29 1HA GLY 29 3.496 11.420 1.548 19 HA3 GLY 29 2HA GLY 29 4.413 12.055 0.193 20 H GLN 30 H GLN 30 5.022 9.621 0.468 21 HA GLN 30 HA GLN 30 7.625 9.607 1.816 22 HB2 GLN 30 1HB GLN 30 5.374 8.217 2.805 23 HB3 GLN 30 2HB GLN 30 6.433 7.008 2.094 24 HG2 GLN 30 1HG GLN 30 7.346 9.058 4.095 25 HG3 GLN 30 2HG GLN 30 6.800 7.438 4.523 26 HE21 GLN 30 2HE2 GLN 30 8.192 5.776 4.358 27 HE22 GLN 30 1HE2 GLN 30 9.807 5.905 3.761 28 H LYS 31 H LYS 31 9.182 8.361 0.850 29 HA LYS 31 HA LYS 31 8.505 7.342 -1.822 30 HB2 LYS 31 1HB LYS 31 10.508 9.040 -1.015 31 HB3 LYS 31 2HB LYS 31 11.344 7.495 -1.086 32 HG2 LYS 31 1HG LYS 31 10.625 7.212 -3.401 33 HG3 LYS 31 2HG LYS 31 9.780 8.758 -3.328 34 HD2 LYS 31 1HD LYS 31 12.552 8.963 -2.476 35 HD3 LYS 31 2HD LYS 31 12.397 8.357 -4.126 36 HE2 LYS 31 1HE LYS 31 10.885 10.280 -4.613 37 HE3 LYS 31 2HE LYS 31 11.250 10.911 -3.007 38 HZ1 LYS 31 3HZ LYS 31 13.113 10.557 -5.284 39 HZ2 LYS 31 1HZ LYS 31 13.647 10.851 -3.706 40 HZ3 LYS 31 2HZ LYS 31 12.689 11.996 -4.501 41 H ALA 32 H ALA 32 8.597 5.217 -2.267 42 HA ALA 32 HA ALA 32 9.123 3.340 -0.172 43 HB1 ALA 32 3HB ALA 32 8.541 2.923 -3.099 44 HB2 ALA 32 1HB ALA 32 7.383 2.874 -1.770 45 HB3 ALA 32 2HB ALA 32 8.634 1.635 -1.899 46 H GLN 33 H GLN 33 10.711 1.649 -0.190 47 HA GLN 33 HA GLN 33 13.261 2.602 -1.187 48 HB2 GLN 33 1HB GLN 33 14.273 0.950 0.215 49 HB3 GLN 33 2HB GLN 33 12.998 1.731 1.133 50 HG2 GLN 33 1HG GLN 33 11.526 -0.210 0.576 51 HG3 GLN 33 2HG GLN 33 12.940 -0.999 -0.122 52 HE21 GLN 33 2HE2 GLN 33 11.087 -0.971 2.505 53 HE22 GLN 33 1HE2 GLN 33 12.235 -1.423 3.712 54 H GLN 34 H GLN 34 14.596 1.582 -2.620 55 HA GLN 34 HA GLN 34 13.299 -0.328 -4.414 56 HB2 GLN 34 1HB GLN 34 15.784 1.371 -4.682 57 HB3 GLN 34 2HB GLN 34 15.314 0.169 -5.874 58 HG2 GLN 34 1HG GLN 34 13.033 1.537 -5.760 59 HG3 GLN 34 2HG GLN 34 14.144 2.819 -5.279 60 HE21 GLN 34 2HE2 GLN 34 13.531 0.404 -7.777 61 HE22 GLN 34 1HE2 GLN 34 14.271 1.297 -9.063 62 H LYS 35 H LYS 35 13.635 -2.423 -4.059 63 HA LYS 35 HA LYS 35 16.062 -3.290 -2.672 64 HB2 LYS 35 1HB LYS 35 13.671 -4.958 -3.459 65 HB3 LYS 35 2HB LYS 35 14.938 -5.389 -2.319 66 HG2 LYS 35 1HG LYS 35 13.494 -2.918 -1.673 67 HG3 LYS 35 2HG LYS 35 12.518 -4.387 -1.638 68 HD2 LYS 35 1HD LYS 35 14.601 -5.309 -0.291 69 HD3 LYS 35 2HD LYS 35 14.827 -3.596 0.064 70 HE2 LYS 35 1HE LYS 35 13.403 -3.973 1.754 71 HE3 LYS 35 2HE LYS 35 12.161 -3.896 0.506 72 HZ1 LYS 35 3HZ LYS 35 13.339 -6.274 1.790 73 HZ2 LYS 35 1HZ LYS 35 12.603 -6.406 0.265 74 HZ3 LYS 35 2HZ LYS 35 11.704 -5.865 1.607 75 H ASN 36 H ASN 36 15.799 -6.022 -3.803 76 HA ASN 36 HA ASN 36 17.540 -5.625 -6.072 77 HB2 ASN 36 1HB ASN 36 17.638 -7.430 -4.143 78 HB3 ASN 36 2HB ASN 36 16.599 -8.334 -5.239 79 HD21 ASN 36 2HD2 ASN 36 17.403 -8.910 -7.291 80 HD22 ASN 36 1HD2 ASN 36 19.103 -8.994 -7.588 81 H GLY 37 H GLY 37 15.692 -4.596 -7.324 82 HA2 GLY 37 1HA GLY 37 14.774 -5.047 -9.487 83 HA3 GLY 37 2HA GLY 37 14.482 -6.702 -8.984 84 H TYR 38 H TYR 38 13.426 -5.153 -6.395 85 HA TYR 38 HA TYR 38 10.822 -4.380 -7.498 86 HB2 TYR 38 1HB TYR 38 9.588 -5.750 -5.976 87 HB3 TYR 38 2HB TYR 38 10.757 -6.795 -6.768 88 HD1 TYR 38 HD2 TYR 38 12.784 -7.552 -5.489 89 HD2 TYR 38 HD1 TYR 38 9.601 -5.431 -3.621 90 HE1 TYR 38 HE2 TYR 38 13.575 -8.308 -3.288 91 HE2 TYR 38 HE1 TYR 38 10.384 -6.184 -1.419 92 HH TYR 38 HH TYR 38 12.190 -8.618 -0.836 93 H GLN 39 H GLN 39 9.431 -3.294 -5.812 94 HA GLN 39 HA GLN 39 11.156 -1.760 -3.978 95 HB2 GLN 39 1HB GLN 39 8.581 -0.546 -4.665 96 HB3 GLN 39 2HB GLN 39 10.174 0.178 -4.559 97 HG2 GLN 39 1HG GLN 39 9.773 -1.624 -6.839 98 HG3 GLN 39 2HG GLN 39 8.798 -0.157 -6.848 99 HE21 GLN 39 2HE2 GLN 39 9.936 1.884 -6.628 100 HE22 GLN 39 1HE2 GLN 39 11.533 2.027 -7.264 101 H GLU 40 H GLU 40 10.290 -1.114 -1.954 102 HA GLU 40 HA GLU 40 7.853 -2.479 -1.074 103 HB2 GLU 40 1HB GLU 40 9.845 -3.967 -0.668 104 HB3 GLU 40 2HB GLU 40 10.445 -2.751 0.449 105 HG2 GLU 40 1HG GLU 40 7.987 -3.096 1.455 106 HG3 GLU 40 2HG GLU 40 8.242 -4.690 0.747 107 H ILE 41 H ILE 41 6.750 -1.435 0.508 108 HA ILE 41 HA ILE 41 8.036 0.777 1.928 109 HB ILE 41 HB ILE 41 7.080 2.010 0.159 110 HG12 ILE 41 1HG1 ILE 41 4.724 2.645 1.583 111 HG13 ILE 41 2HG1 ILE 41 5.916 2.167 2.783 112 HG21 ILE 41 1HG2 ILE 41 4.300 1.202 0.327 113 HG22 ILE 41 2HG2 ILE 41 5.365 -0.125 -0.151 114 HG23 ILE 41 3HG2 ILE 41 5.350 1.373 -1.083 115 HD11 ILE 41 3HD1 ILE 41 7.489 3.805 1.667 116 HD12 ILE 41 1HD1 ILE 41 6.124 4.492 2.549 117 HD13 ILE 41 2HD1 ILE 41 6.079 4.400 0.786 118 H ARG 42 H ARG 42 7.524 0.800 4.023 119 HA ARG 42 HA ARG 42 5.478 -1.027 4.978 120 HB2 ARG 42 1HB ARG 42 7.961 -0.394 5.926 121 HB3 ARG 42 2HB ARG 42 6.930 0.579 6.966 122 HG2 ARG 42 1HG ARG 42 5.806 -1.307 7.800 123 HG3 ARG 42 2HG ARG 42 6.434 -2.346 6.520 124 HD2 ARG 42 1HD ARG 42 8.727 -1.952 7.449 125 HD3 ARG 42 2HD ARG 42 7.967 -1.127 8.809 126 HE ARG 42 HE ARG 42 6.817 -3.673 8.508 127 HH11 ARG 42 1HH1 ARG 42 9.794 -2.192 9.491 128 HH12 ARG 42 2HH1 ARG 42 10.222 -3.480 10.559 129 HH21 ARG 42 1HH2 ARG 42 7.376 -5.357 9.905 130 HH22 ARG 42 2HH2 ARG 42 8.864 -5.260 10.794 131 H VAL 43 H VAL 43 3.480 -0.303 5.030 132 HA VAL 43 HA VAL 43 2.950 2.508 5.698 133 HB VAL 43 HB VAL 43 1.058 0.431 4.563 134 HG11 VAL 43 1HG1 VAL 43 0.492 2.865 5.794 135 HG12 VAL 43 2HG1 VAL 43 -0.587 1.916 4.771 136 HG13 VAL 43 3HG1 VAL 43 0.398 3.196 4.063 137 HG21 VAL 43 3HG2 VAL 43 2.384 2.716 3.119 138 HG22 VAL 43 1HG2 VAL 43 1.389 1.435 2.428 139 HG23 VAL 43 2HG2 VAL 43 2.982 1.057 3.085 140 H GLU 44 H GLU 44 2.865 2.733 7.841 141 HA GLU 44 HA GLU 44 1.882 0.720 9.615 142 HB2 GLU 44 1HB GLU 44 3.592 2.665 10.027 143 HB3 GLU 44 2HB GLU 44 2.151 3.590 10.423 144 HG2 GLU 44 1HG GLU 44 2.484 2.824 12.488 145 HG3 GLU 44 2HG GLU 44 1.751 1.339 11.884 146 H VAL 45 H VAL 45 -0.158 0.236 9.951 147 HA VAL 45 HA VAL 45 -2.242 2.199 9.335 148 HB VAL 45 HB VAL 45 -2.302 -0.805 9.606 149 HG11 VAL 45 1HG1 VAL 45 -4.697 -0.667 8.988 150 HG12 VAL 45 2HG1 VAL 45 -4.626 1.076 9.251 151 HG13 VAL 45 3HG1 VAL 45 -4.346 -0.031 10.595 152 HG21 VAL 45 3HG2 VAL 45 -1.551 0.569 7.485 153 HG22 VAL 45 1HG2 VAL 45 -3.294 0.699 7.244 154 HG23 VAL 45 2HG2 VAL 45 -2.531 -0.889 7.335 155 H MET 46 H MET 46 -2.485 3.435 11.105 156 HA MET 46 HA MET 46 -3.652 2.163 13.453 157 HB2 MET 46 1HB MET 46 -2.240 3.811 14.889 158 HB3 MET 46 2HB MET 46 -1.514 2.303 14.356 159 HG2 MET 46 1HG MET 46 -0.601 3.652 12.387 160 HG3 MET 46 2HG MET 46 -1.042 5.073 13.331 161 HE1 MET 46 3HE MET 46 1.131 5.891 15.557 162 HE2 MET 46 1HE MET 46 0.665 4.544 16.594 163 HE3 MET 46 2HE MET 46 -0.551 5.367 15.618 164 H GLY 47 H GLY 47 -5.599 3.055 12.742 165 HA2 GLY 47 1HA GLY 47 -7.250 4.684 13.043 166 HA3 GLY 47 2HA GLY 47 -5.997 5.840 13.478 167 H GLY 48 H GLY 48 -4.927 4.373 10.799 168 HA2 GLY 48 1HA GLY 48 -6.261 5.124 8.572 169 HA3 GLY 48 2HA GLY 48 -5.489 6.618 9.092 170 H TYR 49 H TYR 49 -4.316 6.444 7.023 171 HA TYR 49 HA TYR 49 -2.197 4.409 7.048 172 HB2 TYR 49 1HB TYR 49 -3.039 6.278 4.819 173 HB3 TYR 49 2HB TYR 49 -1.829 5.007 4.694 174 HD1 TYR 49 HD2 TYR 49 -2.832 2.619 5.612 175 HD2 TYR 49 HD1 TYR 49 -5.070 5.789 3.868 176 HE1 TYR 49 HE2 TYR 49 -4.595 1.023 4.983 177 HE2 TYR 49 HE1 TYR 49 -6.838 4.203 3.238 178 HH TYR 49 HH TYR 49 -6.764 0.852 4.286 179 H THR 50 H THR 50 -0.165 4.943 7.591 180 HA THR 50 HA THR 50 0.454 7.535 8.520 181 HB THR 50 HB THR 50 2.250 5.174 7.970 182 HG1 THR 50 HG1 THR 50 0.886 4.874 9.724 183 HG21 THR 50 3HG2 THR 50 3.038 7.628 9.526 184 HG22 THR 50 1HG2 THR 50 3.416 7.441 7.813 185 HG23 THR 50 2HG2 THR 50 4.063 6.295 8.990 186 HA PRO 51 HA PRO 51 3.007 8.394 4.599 187 HB2 PRO 51 1HB PRO 51 3.205 6.589 2.607 188 HB3 PRO 51 2HB PRO 51 4.295 6.569 3.998 189 HG2 PRO 51 1HG PRO 51 1.877 4.890 3.464 190 HG3 PRO 51 2HG PRO 51 3.454 4.408 4.119 191 HD2 PRO 51 1HD PRO 51 1.263 4.846 5.679 192 HD3 PRO 51 2HD PRO 51 2.928 5.102 6.235 193 H GLU 52 H GLU 52 1.259 9.773 4.267 194 HA GLU 52 HA GLU 52 -1.208 9.249 3.190 195 HB2 GLU 52 1HB GLU 52 -1.138 11.654 2.356 196 HB3 GLU 52 2HB GLU 52 -0.862 11.401 4.073 197 HG2 GLU 52 1HG GLU 52 1.645 11.328 2.728 198 HG3 GLU 52 2HG GLU 52 0.762 12.760 2.206 199 H LEU 53 H LEU 53 1.763 9.956 1.378 200 HA LEU 53 HA LEU 53 0.455 8.853 -1.010 201 HB2 LEU 53 1HB LEU 53 2.416 10.803 -1.774 202 HB3 LEU 53 2HB LEU 53 0.729 10.700 -2.216 203 HG LEU 53 HG LEU 53 1.371 11.844 0.447 204 HD11 LEU 53 1HD1 LEU 53 1.557 13.534 -2.026 205 HD12 LEU 53 2HD1 LEU 53 2.982 12.806 -1.285 206 HD13 LEU 53 3HD1 LEU 53 1.999 13.948 -0.370 207 HD21 LEU 53 3HD2 LEU 53 -0.583 13.128 0.058 208 HD22 LEU 53 1HD2 LEU 53 -0.951 11.492 -0.493 209 HD23 LEU 53 2HD2 LEU 53 -0.571 12.754 -1.665 210 H ILE 54 H ILE 54 1.547 7.110 -1.671 211 HA ILE 54 HA ILE 54 4.375 6.848 -0.921 212 HB ILE 54 HB ILE 54 4.045 4.461 -1.825 213 HG12 ILE 54 1HG1 ILE 54 1.146 5.217 -1.410 214 HG13 ILE 54 2HG1 ILE 54 1.901 4.933 -2.975 215 HG21 ILE 54 1HG2 ILE 54 3.959 5.478 0.638 216 HG22 ILE 54 2HG2 ILE 54 3.720 3.764 0.299 217 HG23 ILE 54 3HG2 ILE 54 2.327 4.815 0.555 218 HD11 ILE 54 3HD1 ILE 54 2.059 2.661 -2.625 219 HD12 ILE 54 1HD1 ILE 54 0.533 3.054 -1.835 220 HD13 ILE 54 2HD1 ILE 54 1.990 2.820 -0.870 221 H VAL 55 H VAL 55 5.962 7.095 -2.341 222 HA VAL 55 HA VAL 55 5.272 7.418 -5.166 223 HB VAL 55 HB VAL 55 7.796 8.094 -3.650 224 HG11 VAL 55 1HG1 VAL 55 7.715 9.390 -6.163 225 HG12 VAL 55 2HG1 VAL 55 7.454 7.667 -6.439 226 HG13 VAL 55 3HG1 VAL 55 8.889 8.213 -5.572 227 HG21 VAL 55 3HG2 VAL 55 5.659 9.472 -3.340 228 HG22 VAL 55 1HG2 VAL 55 5.927 10.015 -4.996 229 HG23 VAL 55 2HG2 VAL 55 7.139 10.335 -3.755 230 H LEU 56 H LEU 56 5.741 5.955 -6.669 231 HA LEU 56 HA LEU 56 7.816 3.937 -6.133 232 HB2 LEU 56 1HB LEU 56 5.003 3.407 -7.086 233 HB3 LEU 56 2HB LEU 56 6.300 2.235 -7.206 234 HG LEU 56 HG LEU 56 5.702 3.395 -4.526 235 HD11 LEU 56 1HD1 LEU 56 4.057 1.240 -5.846 236 HD12 LEU 56 2HD1 LEU 56 3.494 2.846 -5.380 237 HD13 LEU 56 3HD1 LEU 56 3.986 1.691 -4.142 238 HD21 LEU 56 3HD2 LEU 56 7.600 1.878 -4.878 239 HD22 LEU 56 1HD2 LEU 56 6.489 0.640 -5.457 240 HD23 LEU 56 2HD2 LEU 56 6.394 1.196 -3.787 241 H LYS 57 H LYS 57 8.252 2.611 -8.196 242 HA LYS 57 HA LYS 57 8.552 4.508 -10.407 243 HB2 LYS 57 1HB LYS 57 10.217 2.491 -9.273 244 HB3 LYS 57 2HB LYS 57 9.871 2.034 -10.935 245 HG2 LYS 57 1HG LYS 57 11.244 3.583 -11.739 246 HG3 LYS 57 2HG LYS 57 10.552 4.839 -10.712 247 HD2 LYS 57 1HD LYS 57 11.920 4.008 -8.831 248 HD3 LYS 57 2HD LYS 57 12.655 2.827 -9.917 249 HE2 LYS 57 1HE LYS 57 13.133 4.991 -11.358 250 HE3 LYS 57 2HE LYS 57 13.010 5.776 -9.785 251 HZ1 LYS 57 3HZ LYS 57 15.249 5.259 -9.977 252 HZ2 LYS 57 1HZ LYS 57 14.959 3.751 -10.684 253 HZ3 LYS 57 2HZ LYS 57 14.662 3.981 -9.027 254 H LYS 58 H LYS 58 8.529 3.349 -12.667 255 HA LYS 58 HA LYS 58 5.980 1.888 -12.791 256 HB2 LYS 58 1HB LYS 58 6.252 4.109 -13.990 257 HB3 LYS 58 2HB LYS 58 7.349 3.279 -15.089 258 HG2 LYS 58 1HG LYS 58 5.547 1.714 -15.681 259 HG3 LYS 58 2HG LYS 58 4.453 2.602 -14.621 260 HD2 LYS 58 1HD LYS 58 3.931 3.733 -16.490 261 HD3 LYS 58 2HD LYS 58 5.428 4.611 -16.165 262 HE2 LYS 58 1HE LYS 58 6.088 3.979 -18.200 263 HE3 LYS 58 2HE LYS 58 6.279 2.362 -17.524 264 HZ1 LYS 58 3HZ LYS 58 4.932 2.035 -19.361 265 HZ2 LYS 58 1HZ LYS 58 4.039 3.449 -19.107 266 HZ3 LYS 58 2HZ LYS 58 3.798 2.103 -18.100 267 H SER 59 H SER 59 5.709 0.076 -14.066 268 HA SER 59 HA SER 59 6.202 -1.903 -15.051 269 HB2 SER 59 1HB SER 59 7.232 -0.545 -16.825 270 HB3 SER 59 2HB SER 59 8.759 -0.547 -15.942 271 HG SER 59 HG SER 59 8.577 -2.928 -16.090 272 H VAL 60 H VAL 60 7.220 -1.138 -12.307 273 HA VAL 60 HA VAL 60 9.152 -3.348 -12.030 274 HB VAL 60 HB VAL 60 10.120 -1.036 -11.665 275 HG11 VAL 60 1HG1 VAL 60 8.188 -0.047 -10.533 276 HG12 VAL 60 2HG1 VAL 60 9.658 0.093 -9.567 277 HG13 VAL 60 3HG1 VAL 60 8.449 -1.125 -9.161 278 HG21 VAL 60 3HG2 VAL 60 11.318 -1.666 -9.578 279 HG22 VAL 60 1HG2 VAL 60 11.283 -2.940 -10.798 280 HG23 VAL 60 2HG2 VAL 60 10.205 -3.023 -9.403 281 HA PRO 61 HA PRO 61 6.093 -5.122 -9.309 282 HB2 PRO 61 1HB PRO 61 7.775 -6.795 -7.915 283 HB3 PRO 61 2HB PRO 61 7.091 -7.170 -9.499 284 HG2 PRO 61 1HG PRO 61 9.802 -6.133 -8.801 285 HG3 PRO 61 2HG PRO 61 9.336 -7.323 -10.030 286 HD2 PRO 61 1HD PRO 61 9.936 -4.765 -10.651 287 HD3 PRO 61 2HD PRO 61 8.723 -5.698 -11.551 288 H ALA 62 H ALA 62 5.284 -4.073 -7.594 289 HA ALA 62 HA ALA 62 7.165 -3.225 -5.483 290 HB1 ALA 62 3HB ALA 62 4.905 -1.706 -6.731 291 HB2 ALA 62 1HB ALA 62 6.583 -1.216 -6.508 292 HB3 ALA 62 2HB ALA 62 5.500 -1.311 -5.118 293 H ARG 63 H ARG 63 6.604 -3.616 -3.397 294 HA ARG 63 HA ARG 63 3.961 -4.826 -2.965 295 HB2 ARG 63 1HB ARG 63 4.861 -6.428 -1.479 296 HB3 ARG 63 2HB ARG 63 5.896 -6.440 -2.896 297 HG2 ARG 63 1HG ARG 63 7.402 -4.854 -1.553 298 HG3 ARG 63 2HG ARG 63 6.459 -5.385 -0.159 299 HD2 ARG 63 1HD ARG 63 6.990 -7.769 -1.139 300 HD3 ARG 63 2HD ARG 63 8.345 -6.921 -1.876 301 HE ARG 63 HE ARG 63 9.021 -6.283 0.392 302 HH11 ARG 63 1HH1 ARG 63 6.843 -8.970 0.047 303 HH12 ARG 63 2HH1 ARG 63 7.264 -9.652 1.578 304 HH21 ARG 63 1HH2 ARG 63 9.549 -7.173 2.383 305 HH22 ARG 63 2HH2 ARG 63 8.788 -8.644 2.893 306 H ILE 64 H ILE 64 2.715 -3.914 -1.533 307 HA ILE 64 HA ILE 64 3.833 -1.814 0.191 308 HB ILE 64 HB ILE 64 0.893 -2.294 -0.146 309 HG12 ILE 64 1HG1 ILE 64 1.998 -2.220 -2.422 310 HG13 ILE 64 2HG1 ILE 64 0.793 -0.972 -2.133 311 HG21 ILE 64 1HG2 ILE 64 0.664 -0.322 0.871 312 HG22 ILE 64 2HG2 ILE 64 1.919 0.432 -0.111 313 HG23 ILE 64 3HG2 ILE 64 2.361 -0.501 1.320 314 HD11 ILE 64 3HD1 ILE 64 3.460 -0.661 -2.973 315 HD12 ILE 64 1HD1 ILE 64 3.350 0.019 -1.349 316 HD13 ILE 64 2HD1 ILE 64 2.273 0.594 -2.623 317 H VAL 65 H VAL 65 4.300 -2.383 2.211 318 HA VAL 65 HA VAL 65 3.010 -4.702 3.421 319 HB VAL 65 HB VAL 65 5.108 -3.012 4.759 320 HG11 VAL 65 1HG1 VAL 65 5.128 -4.628 6.288 321 HG12 VAL 65 2HG1 VAL 65 5.307 -5.876 5.054 322 HG13 VAL 65 3HG1 VAL 65 3.700 -5.301 5.498 323 HG21 VAL 65 3HG2 VAL 65 6.801 -3.779 3.490 324 HG22 VAL 65 1HG2 VAL 65 5.547 -4.008 2.272 325 HG23 VAL 65 2HG2 VAL 65 6.060 -5.364 3.275 326 H PHE 66 H PHE 66 1.077 -4.318 4.339 327 HA PHE 66 HA PHE 66 0.635 -1.788 5.750 328 HB2 PHE 66 1HB PHE 66 -1.232 -3.975 4.838 329 HB3 PHE 66 2HB PHE 66 -1.757 -2.648 5.869 330 HD1 PHE 66 HD2 PHE 66 -1.431 -0.275 4.994 331 HD2 PHE 66 HD1 PHE 66 -1.166 -3.731 2.527 332 HE1 PHE 66 HE2 PHE 66 -1.792 1.124 3.004 333 HE2 PHE 66 HE1 PHE 66 -1.526 -2.339 0.531 334 HZ PHE 66 HZ PHE 66 -1.839 0.092 0.770 335 H ASP 67 H ASP 67 1.331 -1.809 7.792 336 HA ASP 67 HA ASP 67 1.117 -4.239 9.405 337 HB2 ASP 67 1HB ASP 67 3.159 -2.629 9.309 338 HB3 ASP 67 2HB ASP 67 2.205 -1.608 10.381 339 H ARG 68 H ARG 68 -0.882 -4.561 10.232 340 HA ARG 68 HA ARG 68 -2.610 -2.366 10.927 341 HB2 ARG 68 1HB ARG 68 -3.124 -4.866 10.103 342 HB3 ARG 68 2HB ARG 68 -3.269 -5.109 11.837 343 HG2 ARG 68 1HG ARG 68 -4.724 -2.810 11.403 344 HG3 ARG 68 2HG ARG 68 -5.079 -3.797 9.984 345 HD2 ARG 68 1HD ARG 68 -5.742 -5.646 11.402 346 HD3 ARG 68 2HD ARG 68 -5.298 -4.733 12.842 347 HE ARG 68 HE ARG 68 -7.111 -3.131 12.068 348 HH11 ARG 68 1HH1 ARG 68 -7.206 -6.530 11.349 349 HH12 ARG 68 2HH1 ARG 68 -8.935 -6.599 11.341 350 HH21 ARG 68 1HH2 ARG 68 -9.378 -3.243 12.041 351 HH22 ARG 68 2HH2 ARG 68 -10.145 -4.767 11.743 352 H LYS 69 H LYS 69 -1.792 -1.206 12.591 353 HA LYS 69 HA LYS 69 -0.980 -2.536 15.057 354 HB2 LYS 69 1HB LYS 69 0.466 -0.771 14.415 355 HB3 LYS 69 2HB LYS 69 -0.874 0.311 14.071 356 HG2 LYS 69 1HG LYS 69 0.081 1.091 16.067 357 HG3 LYS 69 2HG LYS 69 -1.389 0.243 16.550 358 HD2 LYS 69 1HD LYS 69 -0.250 -1.363 17.649 359 HD3 LYS 69 2HD LYS 69 1.039 -1.417 16.446 360 HE2 LYS 69 1HE LYS 69 2.219 0.302 17.445 361 HE3 LYS 69 2HE LYS 69 0.792 0.952 18.251 362 HZ1 LYS 69 3HZ LYS 69 0.887 -1.334 19.482 363 HZ2 LYS 69 1HZ LYS 69 1.858 -0.043 19.988 364 HZ3 LYS 69 2HZ LYS 69 2.520 -1.280 19.045 365 H ASP 70 H ASP 70 -3.525 -0.421 13.838 366 HA ASP 70 HA ASP 70 -4.878 -0.550 16.443 367 HB2 ASP 70 1HB ASP 70 -4.442 1.654 15.098 368 HB3 ASP 70 2HB ASP 70 -5.836 1.137 14.153 369 HA PRO 71 HA PRO 71 -7.652 -3.555 14.650 370 HB2 PRO 71 1HB PRO 71 -9.242 -3.923 16.763 371 HB3 PRO 71 2HB PRO 71 -7.552 -4.444 16.792 372 HG2 PRO 71 1HG PRO 71 -8.786 -1.964 17.941 373 HG3 PRO 71 2HG PRO 71 -7.618 -3.074 18.684 374 HD2 PRO 71 1HD PRO 71 -6.917 -0.709 17.496 375 HD3 PRO 71 2HD PRO 71 -5.835 -2.112 17.603 376 H SER 72 H SER 72 -8.158 -0.763 13.989 377 HA SER 72 HA SER 72 -10.866 -0.083 14.528 378 HB2 SER 72 1HB SER 72 -9.285 1.649 13.887 379 HB3 SER 72 2HB SER 72 -8.989 0.853 12.341 380 HG SER 72 HG SER 72 -10.742 2.694 12.779 381 HA PRO 73 HA PRO 73 -12.920 -2.831 11.693 382 HB2 PRO 73 1HB PRO 73 -15.251 -1.430 11.415 383 HB3 PRO 73 2HB PRO 73 -14.875 -2.438 12.818 384 HG2 PRO 73 1HG PRO 73 -14.614 0.528 12.491 385 HG3 PRO 73 2HG PRO 73 -15.252 -0.392 13.868 386 HD2 PRO 73 1HD PRO 73 -12.766 0.623 13.889 387 HD3 PRO 73 2HD PRO 73 -13.135 -0.945 14.641 388 H CYS 74 H CYS 74 -12.585 0.607 11.050 389 HA CYS 74 HA CYS 74 -13.316 0.402 8.276 390 HB2 CYS 74 1HB CYS 74 -12.205 2.586 10.009 391 HB3 CYS 74 2HB CYS 74 -12.235 2.772 8.258 392 HG CYS 74 HG CYS 74 -14.551 3.874 8.375 393 H LEU 75 H LEU 75 -10.577 -0.429 10.015 394 HA LEU 75 HA LEU 75 -8.862 -0.163 7.634 395 HB2 LEU 75 1HB LEU 75 -8.215 -0.095 10.564 396 HB3 LEU 75 2HB LEU 75 -6.983 -0.447 9.367 397 HG LEU 75 HG LEU 75 -8.638 2.071 9.301 398 HD11 LEU 75 1HD1 LEU 75 -6.460 3.078 10.211 399 HD12 LEU 75 2HD1 LEU 75 -6.106 1.442 10.769 400 HD13 LEU 75 3HD1 LEU 75 -7.549 2.278 11.344 401 HD21 LEU 75 3HD2 LEU 75 -6.364 0.960 7.764 402 HD22 LEU 75 1HD2 LEU 75 -6.322 2.685 8.126 403 HD23 LEU 75 2HD2 LEU 75 -7.687 2.002 7.241 404 H ASP 76 H ASP 76 -10.778 -2.357 8.666 405 HA ASP 76 HA ASP 76 -9.143 -4.598 9.312 406 HB2 ASP 76 1HB ASP 76 -11.608 -4.303 9.840 407 HB3 ASP 76 2HB ASP 76 -11.928 -4.698 8.155 408 H GLN 77 H GLN 77 -10.322 -3.256 6.293 409 HA GLN 77 HA GLN 77 -8.760 -5.290 4.860 410 HB2 GLN 77 1HB GLN 77 -11.609 -4.488 4.405 411 HB3 GLN 77 2HB GLN 77 -10.628 -5.005 3.042 412 HG2 GLN 77 1HG GLN 77 -10.654 -7.160 3.672 413 HG3 GLN 77 2HG GLN 77 -10.532 -6.771 5.386 414 HE21 GLN 77 2HE2 GLN 77 -12.264 -7.157 6.573 415 HE22 GLN 77 1HE2 GLN 77 -13.879 -7.317 5.979 416 H ILE 78 H ILE 78 -8.283 -4.635 2.580 417 HA ILE 78 HA ILE 78 -8.254 -1.734 2.166 418 HB ILE 78 HB ILE 78 -6.099 -2.072 3.140 419 HG12 ILE 78 1HG1 ILE 78 -4.858 -2.068 0.588 420 HG13 ILE 78 2HG1 ILE 78 -6.430 -1.299 0.400 421 HG21 ILE 78 1HG2 ILE 78 -5.855 -4.409 1.266 422 HG22 ILE 78 2HG2 ILE 78 -5.776 -4.406 3.028 423 HG23 ILE 78 3HG2 ILE 78 -4.468 -3.693 2.086 424 HD11 ILE 78 3HD1 ILE 78 -4.470 0.197 0.952 425 HD12 ILE 78 1HD1 ILE 78 -4.520 -0.509 2.568 426 HD13 ILE 78 2HD1 ILE 78 -5.914 0.377 1.948 427 H VAL 79 H VAL 79 -8.738 -1.180 0.124 428 HA VAL 79 HA VAL 79 -8.344 -3.195 -1.971 429 HB VAL 79 HB VAL 79 -10.566 -3.494 -2.012 430 HG11 VAL 79 1HG1 VAL 79 -11.675 -0.943 -1.209 431 HG12 VAL 79 2HG1 VAL 79 -10.558 -1.610 -0.017 432 HG13 VAL 79 3HG1 VAL 79 -11.943 -2.563 -0.558 433 HG21 VAL 79 3HG2 VAL 79 -10.410 -0.812 -3.373 434 HG22 VAL 79 1HG2 VAL 79 -11.829 -1.861 -3.419 435 HG23 VAL 79 2HG2 VAL 79 -10.304 -2.408 -4.117 436 H PHE 80 H PHE 80 -7.467 -2.529 -3.766 437 HA PHE 80 HA PHE 80 -6.773 0.299 -4.045 438 HB2 PHE 80 1HB PHE 80 -5.693 -2.285 -5.093 439 HB3 PHE 80 2HB PHE 80 -5.408 -0.828 -6.030 440 HD1 PHE 80 HD1 PHE 80 -4.916 -2.345 -2.688 441 HD2 PHE 80 HD2 PHE 80 -3.701 0.656 -5.449 442 HE1 PHE 80 HE1 PHE 80 -2.988 -1.816 -1.256 443 HE2 PHE 80 HE2 PHE 80 -1.770 1.192 -4.021 444 HZ PHE 80 HZ PHE 80 -1.410 -0.045 -1.922 445 HA PRO 81 HA PRO 81 -10.298 0.271 -6.946 446 HB2 PRO 81 1HB PRO 81 -10.405 2.983 -7.227 447 HB3 PRO 81 2HB PRO 81 -11.160 2.103 -5.895 448 HG2 PRO 81 1HG PRO 81 -8.562 3.579 -5.963 449 HG3 PRO 81 2HG PRO 81 -9.792 3.534 -4.688 450 HD2 PRO 81 1HD PRO 81 -7.511 2.088 -4.566 451 HD3 PRO 81 2HD PRO 81 -9.036 1.521 -3.858 452 H ASP 82 H ASP 82 -7.087 1.455 -7.368 453 HA ASP 82 HA ASP 82 -7.552 1.953 -10.216 454 HB2 ASP 82 1HB ASP 82 -5.243 2.615 -8.391 455 HB3 ASP 82 2HB ASP 82 -5.174 2.833 -10.137 456 H PHE 83 H PHE 83 -6.591 -0.578 -8.236 457 HA PHE 83 HA PHE 83 -5.086 -1.815 -10.452 458 HB2 PHE 83 1HB PHE 83 -4.638 -2.009 -7.480 459 HB3 PHE 83 2HB PHE 83 -4.003 -3.220 -8.588 460 HD1 PHE 83 HD1 PHE 83 -3.852 0.318 -7.603 461 HD2 PHE 83 HD2 PHE 83 -2.109 -2.767 -9.958 462 HE1 PHE 83 HE1 PHE 83 -1.901 1.752 -8.028 463 HE2 PHE 83 HE2 PHE 83 -0.152 -1.338 -10.386 464 HZ PHE 83 HZ PHE 83 -0.049 0.927 -9.420 465 H GLY 84 H GLY 84 -7.708 -2.112 -8.216 466 HA2 GLY 84 1HA GLY 84 -9.484 -3.611 -8.286 467 HA3 GLY 84 2HA GLY 84 -8.661 -4.479 -9.577 468 H VAL 85 H VAL 85 -7.185 -3.720 -6.507 469 HA VAL 85 HA VAL 85 -7.119 -6.597 -5.865 470 HB VAL 85 HB VAL 85 -5.093 -4.418 -5.368 471 HG11 VAL 85 1HG1 VAL 85 -4.475 -5.451 -3.504 472 HG12 VAL 85 2HG1 VAL 85 -3.976 -6.813 -4.508 473 HG13 VAL 85 3HG1 VAL 85 -5.588 -6.787 -3.795 474 HG21 VAL 85 3HG2 VAL 85 -5.043 -6.989 -6.931 475 HG22 VAL 85 1HG2 VAL 85 -3.604 -6.033 -6.574 476 HG23 VAL 85 2HG2 VAL 85 -4.902 -5.342 -7.549 477 H HIS 86 H HIS 86 -8.286 -7.151 -4.129 478 HA HIS 86 HA HIS 86 -8.499 -5.227 -1.906 479 HB2 HIS 86 1HB HIS 86 -10.648 -5.247 -3.011 480 HB3 HIS 86 2HB HIS 86 -10.682 -6.999 -3.021 481 HD1 HIS 86 HD1 HIS 86 -12.432 -7.739 -1.446 482 HD2 HIS 86 HD2 HIS 86 -10.294 -4.503 0.045 483 HE1 HIS 86 HE1 HIS 86 -13.367 -7.315 0.848 484 H ALA 87 H ALA 87 -7.624 -5.976 -0.110 485 HA ALA 87 HA ALA 87 -7.743 -8.867 0.447 486 HB1 ALA 87 3HB ALA 87 -5.381 -8.559 1.432 487 HB2 ALA 87 1HB ALA 87 -5.314 -7.114 0.422 488 HB3 ALA 87 2HB ALA 87 -5.554 -8.697 -0.318 489 H ASN 88 H ASN 88 -6.956 -9.281 2.792 490 HA ASN 88 HA ASN 88 -8.245 -7.286 4.534 491 HB2 ASN 88 1HB ASN 88 -8.156 -9.533 6.069 492 HB3 ASN 88 2HB ASN 88 -9.525 -9.077 5.061 493 HD21 ASN 88 2HD2 ASN 88 -10.299 -10.836 4.150 494 HD22 ASN 88 1HD2 ASN 88 -9.374 -12.083 3.396 495 H LEU 89 H LEU 89 -7.316 -6.830 6.596 496 HA LEU 89 HA LEU 89 -4.425 -7.412 6.698 497 HB2 LEU 89 1HB LEU 89 -5.825 -5.111 8.047 498 HB3 LEU 89 2HB LEU 89 -4.098 -5.348 7.857 499 HG LEU 89 HG LEU 89 -6.005 -4.856 5.568 500 HD11 LEU 89 1HD1 LEU 89 -4.173 -2.969 7.038 501 HD12 LEU 89 2HD1 LEU 89 -5.932 -2.888 6.944 502 HD13 LEU 89 3HD1 LEU 89 -4.957 -2.611 5.500 503 HD21 LEU 89 3HD2 LEU 89 -3.739 -4.255 4.486 504 HD22 LEU 89 1HD2 LEU 89 -4.172 -5.955 4.660 505 HD23 LEU 89 2HD2 LEU 89 -3.040 -5.215 5.790 506 HA PRO 90 HA PRO 90 -5.426 -9.650 10.426 507 HB2 PRO 90 1HB PRO 90 -2.937 -10.558 10.942 508 HB3 PRO 90 2HB PRO 90 -3.939 -11.222 9.646 509 HG2 PRO 90 1HG PRO 90 -1.661 -9.303 9.489 510 HG3 PRO 90 2HG PRO 90 -2.108 -10.611 8.381 511 HD2 PRO 90 1HD PRO 90 -2.656 -7.929 7.983 512 HD3 PRO 90 2HD PRO 90 -3.518 -9.268 7.203 513 H MET 91 H MET 91 -5.630 -8.938 12.457 514 HA MET 91 HA MET 91 -4.439 -6.525 13.328 515 HB2 MET 91 1HB MET 91 -6.638 -7.199 14.102 516 HB3 MET 91 2HB MET 91 -5.961 -8.631 14.868 517 HG2 MET 91 1HG MET 91 -6.498 -6.776 16.429 518 HG3 MET 91 2HG MET 91 -4.827 -7.326 16.493 519 HE1 MET 91 3HE MET 91 -4.814 -4.963 17.967 520 HE2 MET 91 1HE MET 91 -3.813 -3.764 17.147 521 HE3 MET 91 2HE MET 91 -3.290 -5.447 17.222 522 H GLY 92 H GLY 92 -2.551 -6.146 14.243 523 HA2 GLY 92 1HA GLY 92 -0.760 -6.458 15.713 524 HA3 GLY 92 2HA GLY 92 -1.312 -8.100 16.003 525 H GLU 93 H GLU 93 -1.255 -7.611 12.722 526 HA GLU 93 HA GLU 93 1.549 -8.440 12.441 527 HB2 GLU 93 1HB GLU 93 -0.815 -9.821 11.154 528 HB3 GLU 93 2HB GLU 93 0.870 -10.170 10.804 529 HG2 GLU 93 1HG GLU 93 1.208 -10.920 13.090 530 HG3 GLU 93 2HG GLU 93 -0.463 -10.515 13.482 531 H GLU 94 H GLU 94 2.020 -8.597 9.922 532 HA GLU 94 HA GLU 94 0.854 -6.188 8.698 533 HB2 GLU 94 1HB GLU 94 3.065 -5.936 7.517 534 HB3 GLU 94 2HB GLU 94 3.093 -5.644 9.249 535 HG2 GLU 94 1HG GLU 94 3.646 -8.388 8.808 536 HG3 GLU 94 2HG GLU 94 4.661 -7.436 7.728 537 H TYR 95 H TYR 95 0.091 -6.292 6.686 538 HA TYR 95 HA TYR 95 0.376 -8.851 5.245 539 HB2 TYR 95 1HB TYR 95 -1.938 -8.015 6.125 540 HB3 TYR 95 2HB TYR 95 -1.872 -6.919 4.752 541 HD1 TYR 95 HD1 TYR 95 -1.975 -10.469 5.755 542 HD2 TYR 95 HD2 TYR 95 -2.269 -7.707 2.533 543 HE1 TYR 95 HE1 TYR 95 -2.855 -12.256 4.314 544 HE2 TYR 95 HE2 TYR 95 -3.149 -9.486 1.081 545 HH TYR 95 HH TYR 95 -4.439 -12.205 2.082 546 H VAL 96 H VAL 96 1.401 -8.777 3.336 547 HA VAL 96 HA VAL 96 1.983 -6.137 2.225 548 HB VAL 96 HB VAL 96 3.811 -7.863 2.799 549 HG11 VAL 96 1HG1 VAL 96 3.806 -8.899 0.094 550 HG12 VAL 96 2HG1 VAL 96 2.408 -9.448 1.020 551 HG13 VAL 96 3HG1 VAL 96 4.038 -9.740 1.628 552 HG21 VAL 96 3HG2 VAL 96 4.505 -5.900 1.781 553 HG22 VAL 96 1HG2 VAL 96 3.629 -6.246 0.290 554 HG23 VAL 96 2HG2 VAL 96 5.092 -7.150 0.684 555 H VAL 97 H VAL 97 1.357 -5.455 0.293 556 HA VAL 97 HA VAL 97 -0.259 -7.284 -1.368 557 HB VAL 97 HB VAL 97 -0.383 -4.272 -1.097 558 HG11 VAL 97 1HG1 VAL 97 -2.144 -5.937 -2.881 559 HG12 VAL 97 2HG1 VAL 97 -0.685 -5.141 -3.467 560 HG13 VAL 97 3HG1 VAL 97 -2.008 -4.180 -2.808 561 HG21 VAL 97 3HG2 VAL 97 -2.814 -4.910 -0.538 562 HG22 VAL 97 1HG2 VAL 97 -1.571 -5.186 0.682 563 HG23 VAL 97 2HG2 VAL 97 -2.171 -6.533 -0.286 564 H GLU 98 H GLU 98 0.844 -8.014 -3.063 565 HA GLU 98 HA GLU 98 3.008 -6.406 -4.188 566 HB2 GLU 98 1HB GLU 98 2.301 -9.285 -4.192 567 HB3 GLU 98 2HB GLU 98 3.124 -8.677 -5.622 568 HG2 GLU 98 1HG GLU 98 5.061 -8.237 -4.496 569 HG3 GLU 98 2HG GLU 98 4.237 -7.986 -2.959 570 H ILE 99 H ILE 99 2.663 -5.137 -5.863 571 HA ILE 99 HA ILE 99 0.745 -5.971 -7.935 572 HB ILE 99 HB ILE 99 0.369 -3.326 -8.087 573 HG12 ILE 99 1HG1 ILE 99 0.631 -3.822 -5.113 574 HG13 ILE 99 2HG1 ILE 99 1.814 -2.941 -6.073 575 HG21 ILE 99 1HG2 ILE 99 -1.117 -5.232 -6.286 576 HG22 ILE 99 2HG2 ILE 99 -1.402 -4.955 -8.006 577 HG23 ILE 99 3HG2 ILE 99 -1.740 -3.676 -6.839 578 HD11 ILE 99 3HD1 ILE 99 0.610 -1.201 -5.264 579 HD12 ILE 99 1HD1 ILE 99 -0.886 -2.131 -5.171 580 HD13 ILE 99 2HD1 ILE 99 -0.320 -1.525 -6.728 581 H THR 100 H THR 100 1.020 -4.655 -9.974 582 HA THR 100 HA THR 100 3.818 -3.806 -10.323 583 HB THR 100 HB THR 100 2.321 -5.329 -12.451 584 HG1 THR 100 HG1 THR 100 3.784 -6.267 -10.239 585 HG21 THR 100 3HG2 THR 100 5.290 -5.012 -12.044 586 HG22 THR 100 1HG2 THR 100 4.333 -3.884 -13.003 587 HG23 THR 100 2HG2 THR 100 4.443 -5.578 -13.483 588 HA PRO 101 HA PRO 101 1.287 -0.350 -11.901 589 HB2 PRO 101 1HB PRO 101 3.148 1.553 -11.454 590 HB3 PRO 101 2HB PRO 101 2.125 0.912 -10.160 591 HG2 PRO 101 1HG PRO 101 4.943 0.178 -10.885 592 HG3 PRO 101 2HG PRO 101 4.257 0.505 -9.285 593 HD2 PRO 101 1HD PRO 101 4.642 -2.004 -10.206 594 HD3 PRO 101 2HD PRO 101 3.293 -1.586 -9.129 595 H GLU 102 H GLU 102 1.278 -0.862 -14.094 596 HA GLU 102 HA GLU 102 3.744 -0.487 -15.622 597 HB2 GLU 102 1HB GLU 102 1.043 -1.533 -16.483 598 HB3 GLU 102 2HB GLU 102 2.472 -1.456 -17.506 599 HG2 GLU 102 1HG GLU 102 3.331 -3.324 -16.640 600 HG3 GLU 102 2HG GLU 102 2.931 -2.852 -14.990 601 H GLN 103 H GLN 103 1.485 1.535 -14.537 602 HA GLN 103 HA GLN 103 1.697 3.284 -16.888 603 HB2 GLN 103 1HB GLN 103 -0.725 2.266 -15.629 604 HB3 GLN 103 2HB GLN 103 -0.689 4.023 -15.669 605 HG2 GLN 103 1HG GLN 103 -0.136 3.806 -18.137 606 HG3 GLN 103 2HG GLN 103 -0.576 2.108 -17.974 607 HE21 GLN 103 2HE2 GLN 103 -2.725 1.561 -17.571 608 HE22 GLN 103 1HE2 GLN 103 -4.014 2.678 -17.825 609 H ALA 104 H ALA 104 2.290 5.342 -16.450 610 HA ALA 104 HA ALA 104 2.936 5.985 -13.686 611 HB1 ALA 104 3HB ALA 104 4.668 7.042 -14.580 612 HB2 ALA 104 1HB ALA 104 3.593 8.102 -15.493 613 HB3 ALA 104 2HB ALA 104 4.107 6.561 -16.182 614 H GLY 105 H GLY 105 1.715 7.221 -12.432 615 HA2 GLY 105 1HA GLY 105 0.460 9.590 -13.114 616 HA3 GLY 105 2HA GLY 105 -0.736 8.326 -13.366 617 H GLU 106 H GLU 106 -1.871 9.601 -11.707 618 HA GLU 106 HA GLU 106 -0.896 9.175 -8.985 619 HB2 GLU 106 1HB GLU 106 -2.392 11.240 -10.254 620 HB3 GLU 106 2HB GLU 106 -3.415 10.510 -9.024 621 HG2 GLU 106 1HG GLU 106 -1.680 10.889 -7.351 622 HG3 GLU 106 2HG GLU 106 -0.655 11.625 -8.584 623 H PHE 107 H PHE 107 -1.482 7.410 -7.985 624 HA PHE 107 HA PHE 107 -4.076 6.168 -8.635 625 HB2 PHE 107 1HB PHE 107 -1.501 4.935 -7.635 626 HB3 PHE 107 2HB PHE 107 -3.019 4.054 -7.754 627 HD1 PHE 107 HD2 PHE 107 -3.876 5.445 -10.406 628 HD2 PHE 107 HD1 PHE 107 -0.290 3.536 -9.134 629 HE1 PHE 107 HE2 PHE 107 -3.355 4.878 -12.738 630 HE2 PHE 107 HE1 PHE 107 0.235 2.968 -11.468 631 HZ PHE 107 HZ PHE 107 -1.298 3.639 -13.273 632 H SER 108 H SER 108 -4.869 4.769 -6.630 633 HA SER 108 HA SER 108 -4.267 6.049 -4.095 634 HB2 SER 108 1HB SER 108 -6.599 6.718 -3.671 635 HB3 SER 108 2HB SER 108 -5.926 7.567 -5.062 636 HG SER 108 HG SER 108 -6.956 5.772 -6.316 637 H PHE 109 H PHE 109 -5.489 5.131 -2.288 638 HA PHE 109 HA PHE 109 -6.786 2.568 -2.683 639 HB2 PHE 109 1HB PHE 109 -5.271 1.402 -1.064 640 HB3 PHE 109 2HB PHE 109 -4.515 1.790 -2.602 641 HD1 PHE 109 HD2 PHE 109 -2.845 3.601 -2.735 642 HD2 PHE 109 HD1 PHE 109 -4.486 2.334 0.981 643 HE1 PHE 109 HE2 PHE 109 -0.996 4.704 -1.544 644 HE2 PHE 109 HE1 PHE 109 -2.639 3.432 2.176 645 HZ PHE 109 HZ PHE 109 -0.891 4.619 0.914 646 H ALA 110 H ALA 110 -8.257 2.118 -1.090 647 HA ALA 110 HA ALA 110 -8.116 3.342 1.509 648 HB1 ALA 110 3HB ALA 110 -8.995 5.298 0.734 649 HB2 ALA 110 1HB ALA 110 -10.496 4.414 1.018 650 HB3 ALA 110 2HB ALA 110 -9.828 4.518 -0.611 651 H CYS 111 H CYS 111 -10.360 3.006 2.675 652 HA CYS 111 HA CYS 111 -11.556 0.467 1.784 653 HB2 CYS 111 1HB CYS 111 -9.926 -0.014 3.566 654 HB3 CYS 111 2HB CYS 111 -10.751 1.125 4.625 655 HG CYS 111 HG CYS 111 -11.264 -2.031 4.393 656 H GLY 112 H GLY 112 -13.728 0.382 1.884 657 HA2 GLY 112 1HA GLY 112 -15.856 0.863 2.810 658 HA3 GLY 112 2HA GLY 112 -15.162 2.264 3.609 659 H MET 113 H MET 113 -16.383 3.916 2.903 660 HA MET 113 HA MET 113 -16.582 4.292 -0.012 661 HB2 MET 113 1HB MET 113 -18.686 5.750 0.902 662 HB3 MET 113 2HB MET 113 -18.806 4.097 0.320 663 HG2 MET 113 1HG MET 113 -18.490 3.341 2.689 664 HG3 MET 113 2HG MET 113 -18.636 5.029 3.174 665 HE1 MET 113 3HE MET 113 -22.069 4.064 4.395 666 HE2 MET 113 1HE MET 113 -20.411 4.541 4.763 667 HE3 MET 113 2HE MET 113 -20.790 2.849 4.437 668 H ASN 114 H ASN 114 -17.791 6.668 2.229 669 HA ASN 114 HA ASN 114 -15.855 8.589 1.234 670 HB2 ASN 114 1HB ASN 114 -17.263 10.161 2.747 671 HB3 ASN 114 2HB ASN 114 -17.996 9.514 1.284 672 HD21 ASN 114 2HD2 ASN 114 -18.116 9.664 4.691 673 HD22 ASN 114 1HD2 ASN 114 -19.522 8.685 4.909 674 H MET 115 H MET 115 -14.255 7.050 2.493 675 HA MET 115 HA MET 115 -13.435 8.535 4.838 676 HB2 MET 115 1HB MET 115 -14.945 6.190 5.194 677 HB3 MET 115 2HB MET 115 -13.280 5.730 5.522 678 HG2 MET 115 1HG MET 115 -13.847 8.218 6.809 679 HG3 MET 115 2HG MET 115 -15.088 7.039 7.227 680 HE1 MET 115 3HE MET 115 -11.534 8.274 7.673 681 HE2 MET 115 1HE MET 115 -11.175 7.480 9.207 682 HE3 MET 115 2HE MET 115 -12.593 8.519 9.062 683 H MET 116 H MET 116 -11.391 7.303 5.792 684 HA MET 116 HA MET 116 -9.250 6.609 5.538 685 HB2 MET 116 1HB MET 116 -10.644 5.163 3.408 686 HB3 MET 116 2HB MET 116 -8.936 5.421 3.085 687 HG2 MET 116 1HG MET 116 -9.291 3.291 4.171 688 HG3 MET 116 2HG MET 116 -8.371 4.375 5.215 689 HE1 MET 116 3HE MET 116 -8.994 3.751 7.868 690 HE2 MET 116 1HE MET 116 -10.299 4.871 8.256 691 HE3 MET 116 2HE MET 116 -8.995 5.373 7.180 692 H HIS 117 H HIS 117 -7.302 6.763 3.955 693 HA HIS 117 HA HIS 117 -7.424 8.764 1.918 694 HB2 HIS 117 1HB HIS 117 -7.575 10.133 4.027 695 HB3 HIS 117 2HB HIS 117 -5.983 9.529 4.467 696 HD1 HIS 117 HD1 HIS 117 -3.952 10.455 3.145 697 HD2 HIS 117 HD2 HIS 117 -7.606 12.098 2.034 698 HE1 HIS 117 HE1 HIS 117 -3.387 12.469 1.748 699 H GLY 118 H GLY 118 -6.191 7.596 0.553 700 HA2 GLY 118 1HA GLY 118 -3.381 7.234 1.256 701 HA3 GLY 118 2HA GLY 118 -4.279 5.781 0.843 702 H LYS 119 H LYS 119 -2.188 7.938 -0.382 703 HA LYS 119 HA LYS 119 -3.267 7.653 -3.113 704 HB2 LYS 119 1HB LYS 119 -2.965 10.014 -1.869 705 HB3 LYS 119 2HB LYS 119 -1.356 9.842 -2.551 706 HG2 LYS 119 1HG LYS 119 -2.409 9.502 -4.780 707 HG3 LYS 119 2HG LYS 119 -3.968 9.874 -4.041 708 HD2 LYS 119 1HD LYS 119 -1.731 11.787 -3.627 709 HD3 LYS 119 2HD LYS 119 -2.495 11.737 -5.217 710 HE2 LYS 119 1HE LYS 119 -4.533 11.719 -3.231 711 HE3 LYS 119 2HE LYS 119 -3.403 13.020 -2.856 712 HZ1 LYS 119 3HZ LYS 119 -3.999 12.949 -5.646 713 HZ2 LYS 119 1HZ LYS 119 -4.185 14.218 -4.533 714 HZ3 LYS 119 2HZ LYS 119 -5.421 13.079 -4.723 715 H MET 120 H MET 120 -1.791 7.298 -4.799 716 HA MET 120 HA MET 120 0.959 6.595 -4.015 717 HB2 MET 120 1HB MET 120 -0.470 4.543 -4.140 718 HB3 MET 120 2HB MET 120 -0.775 4.912 -5.829 719 HG2 MET 120 1HG MET 120 1.971 4.974 -5.654 720 HG3 MET 120 2HG MET 120 1.518 3.646 -4.587 721 HE1 MET 120 3HE MET 120 0.501 0.860 -6.740 722 HE2 MET 120 1HE MET 120 -0.670 1.801 -5.814 723 HE3 MET 120 2HE MET 120 0.945 1.518 -5.163 724 H ILE 121 H ILE 121 2.485 7.361 -5.385 725 HA ILE 121 HA ILE 121 1.540 8.389 -7.990 726 HB ILE 121 HB ILE 121 3.768 9.482 -6.256 727 HG12 ILE 121 1HG1 ILE 121 2.102 11.558 -6.748 728 HG13 ILE 121 2HG1 ILE 121 0.943 10.234 -6.761 729 HG21 ILE 121 1HG2 ILE 121 2.847 10.332 -9.002 730 HG22 ILE 121 2HG2 ILE 121 4.411 9.628 -8.585 731 HG23 ILE 121 3HG2 ILE 121 3.978 11.231 -7.989 732 HD11 ILE 121 3HD1 ILE 121 2.884 10.550 -4.510 733 HD12 ILE 121 1HD1 ILE 121 1.333 9.710 -4.541 734 HD13 ILE 121 2HD1 ILE 121 1.382 11.474 -4.563 735 H VAL 122 H VAL 122 2.258 7.284 -9.664 736 HA VAL 122 HA VAL 122 4.716 5.697 -9.374 737 HB VAL 122 HB VAL 122 2.439 5.470 -11.346 738 HG11 VAL 122 1HG1 VAL 122 4.793 4.947 -12.236 739 HG12 VAL 122 2HG1 VAL 122 3.537 3.725 -12.444 740 HG13 VAL 122 3HG1 VAL 122 4.735 3.549 -11.162 741 HG21 VAL 122 3HG2 VAL 122 2.106 3.283 -10.263 742 HG22 VAL 122 1HG2 VAL 122 1.907 4.630 -9.143 743 HG23 VAL 122 2HG2 VAL 122 3.390 3.674 -9.120 744 H GLU 123 H GLU 123 6.524 6.352 -10.306 745 HA GLU 123 HA GLU 123 6.470 8.586 -12.168 746 HB2 GLU 123 1HB GLU 123 8.760 7.098 -10.871 747 HB3 GLU 123 2HB GLU 123 8.962 8.474 -11.948 748 HG2 GLU 123 1HG GLU 123 7.459 9.741 -10.313 749 HG3 GLU 123 2HG GLU 123 7.763 8.405 -9.203 Start of MODEL 12 1 HA2 GLY 26 1HA GLY 26 2.701 20.557 4.170 2 HA3 GLY 26 2HA GLY 26 0.959 20.645 4.389 3 H ALA 27 H ALA 27 1.459 19.019 1.598 4 HA ALA 27 HA ALA 27 0.822 16.471 2.812 5 HB1 ALA 27 3HB ALA 27 1.238 17.084 -0.108 6 HB2 ALA 27 1HB ALA 27 -0.291 17.296 0.746 7 HB3 ALA 27 2HB ALA 27 0.414 15.686 0.584 8 H MET 28 H MET 28 2.669 15.799 3.887 9 HA MET 28 HA MET 28 5.206 15.627 2.519 10 HB2 MET 28 1HB MET 28 4.538 15.869 5.134 11 HB3 MET 28 2HB MET 28 4.830 14.137 5.043 12 HG2 MET 28 1HG MET 28 6.794 15.556 5.711 13 HG3 MET 28 2HG MET 28 7.065 14.444 4.371 14 HE1 MET 28 3HE MET 28 6.507 17.797 5.691 15 HE2 MET 28 1HE MET 28 5.667 18.503 4.310 16 HE3 MET 28 2HE MET 28 7.365 18.882 4.597 17 H GLY 29 H GLY 29 5.218 14.186 0.877 18 HA2 GLY 29 1HA GLY 29 3.897 11.634 1.063 19 HA3 GLY 29 2HA GLY 29 4.887 12.199 -0.272 20 H GLN 30 H GLN 30 5.080 9.610 0.461 21 HA GLN 30 HA GLN 30 7.733 9.521 1.751 22 HB2 GLN 30 1HB GLN 30 5.293 8.159 2.523 23 HB3 GLN 30 2HB GLN 30 6.579 7.011 2.174 24 HG2 GLN 30 1HG GLN 30 7.176 7.345 4.296 25 HG3 GLN 30 2HG GLN 30 7.892 8.840 3.698 26 HE21 GLN 30 2HE2 GLN 30 6.534 10.775 3.787 27 HE22 GLN 30 1HE2 GLN 30 5.399 10.931 5.081 28 H LYS 31 H LYS 31 9.280 8.522 0.634 29 HA LYS 31 HA LYS 31 8.576 7.281 -1.906 30 HB2 LYS 31 1HB LYS 31 10.775 8.828 -0.954 31 HB3 LYS 31 2HB LYS 31 11.386 7.269 -1.489 32 HG2 LYS 31 1HG LYS 31 10.503 7.570 -3.664 33 HG3 LYS 31 2HG LYS 31 9.572 8.980 -3.161 34 HD2 LYS 31 1HD LYS 31 11.404 9.910 -4.258 35 HD3 LYS 31 2HD LYS 31 11.864 9.999 -2.554 36 HE2 LYS 31 1HE LYS 31 13.038 7.795 -2.883 37 HE3 LYS 31 2HE LYS 31 12.765 7.998 -4.612 38 HZ1 LYS 31 3HZ LYS 31 14.837 9.046 -3.080 39 HZ2 LYS 31 1HZ LYS 31 13.883 10.360 -3.562 40 HZ3 LYS 31 2HZ LYS 31 14.530 9.312 -4.722 41 H ALA 32 H ALA 32 8.673 5.169 -2.297 42 HA ALA 32 HA ALA 32 9.107 3.342 -0.139 43 HB1 ALA 32 3HB ALA 32 8.592 1.602 -1.799 44 HB2 ALA 32 1HB ALA 32 8.615 2.828 -3.067 45 HB3 ALA 32 2HB ALA 32 7.395 2.901 -1.794 46 H GLN 33 H GLN 33 10.650 1.646 -0.030 47 HA GLN 33 HA GLN 33 13.264 2.470 -0.921 48 HB2 GLN 33 1HB GLN 33 14.131 0.714 0.450 49 HB3 GLN 33 2HB GLN 33 12.836 1.493 1.342 50 HG2 GLN 33 1HG GLN 33 11.337 -0.374 0.521 51 HG3 GLN 33 2HG GLN 33 12.806 -1.183 -0.017 52 HE21 GLN 33 2HE2 GLN 33 11.995 0.672 2.900 53 HE22 GLN 33 1HE2 GLN 33 12.442 -0.569 4.012 54 H GLN 34 H GLN 34 14.558 1.532 -2.423 55 HA GLN 34 HA GLN 34 13.240 -0.319 -4.266 56 HB2 GLN 34 1HB GLN 34 15.492 1.639 -4.513 57 HB3 GLN 34 2HB GLN 34 15.394 0.297 -5.647 58 HG2 GLN 34 1HG GLN 34 13.747 1.253 -6.792 59 HG3 GLN 34 2HG GLN 34 12.850 1.650 -5.328 60 HE21 GLN 34 2HE2 GLN 34 13.232 3.639 -4.308 61 HE22 GLN 34 1HE2 GLN 34 13.987 4.949 -5.141 62 H LYS 35 H LYS 35 13.618 -2.401 -3.999 63 HA LYS 35 HA LYS 35 16.085 -3.282 -2.701 64 HB2 LYS 35 1HB LYS 35 13.773 -5.039 -3.503 65 HB3 LYS 35 2HB LYS 35 14.991 -5.340 -2.273 66 HG2 LYS 35 1HG LYS 35 13.379 -2.932 -1.830 67 HG3 LYS 35 2HG LYS 35 12.478 -4.447 -1.785 68 HD2 LYS 35 1HD LYS 35 14.975 -4.657 -0.335 69 HD3 LYS 35 2HD LYS 35 13.987 -3.330 0.274 70 HE2 LYS 35 1HE LYS 35 12.132 -5.302 -0.011 71 HE3 LYS 35 2HE LYS 35 13.563 -6.229 0.433 72 HZ1 LYS 35 3HZ LYS 35 13.003 -3.827 2.009 73 HZ2 LYS 35 1HZ LYS 35 13.608 -5.339 2.498 74 HZ3 LYS 35 2HZ LYS 35 11.947 -5.148 2.220 75 H ASN 36 H ASN 36 15.939 -5.961 -3.865 76 HA ASN 36 HA ASN 36 17.552 -5.439 -6.200 77 HB2 ASN 36 1HB ASN 36 17.684 -7.323 -4.259 78 HB3 ASN 36 2HB ASN 36 16.876 -8.234 -5.530 79 HD21 ASN 36 2HD2 ASN 36 17.978 -8.755 -7.378 80 HD22 ASN 36 1HD2 ASN 36 19.682 -8.525 -7.553 81 H GLY 37 H GLY 37 15.692 -4.525 -7.449 82 HA2 GLY 37 1HA GLY 37 14.729 -5.047 -9.575 83 HA3 GLY 37 2HA GLY 37 14.487 -6.695 -9.028 84 H TYR 38 H TYR 38 13.444 -5.083 -6.459 85 HA TYR 38 HA TYR 38 10.815 -4.368 -7.526 86 HB2 TYR 38 1HB TYR 38 9.639 -5.739 -5.886 87 HB3 TYR 38 2HB TYR 38 10.666 -6.748 -6.895 88 HD1 TYR 38 HD2 TYR 38 12.928 -7.484 -5.919 89 HD2 TYR 38 HD1 TYR 38 9.800 -5.826 -3.557 90 HE1 TYR 38 HE2 TYR 38 13.933 -8.470 -3.904 91 HE2 TYR 38 HE1 TYR 38 10.798 -6.808 -1.537 92 HH TYR 38 HH TYR 38 12.565 -7.880 -0.689 93 H GLN 39 H GLN 39 9.422 -3.307 -5.837 94 HA GLN 39 HA GLN 39 11.137 -1.763 -3.994 95 HB2 GLN 39 1HB GLN 39 8.568 -0.532 -4.634 96 HB3 GLN 39 2HB GLN 39 10.180 0.164 -4.636 97 HG2 GLN 39 1HG GLN 39 10.150 -1.505 -6.846 98 HG3 GLN 39 2HG GLN 39 8.558 -0.751 -6.838 99 HE21 GLN 39 2HE2 GLN 39 11.760 -0.402 -7.709 100 HE22 GLN 39 1HE2 GLN 39 11.753 1.291 -8.053 101 H GLU 40 H GLU 40 10.251 -1.099 -1.980 102 HA GLU 40 HA GLU 40 7.824 -2.479 -1.094 103 HB2 GLU 40 1HB GLU 40 9.841 -3.930 -0.659 104 HB3 GLU 40 2HB GLU 40 10.417 -2.687 0.441 105 HG2 GLU 40 1HG GLU 40 7.920 -3.086 1.397 106 HG3 GLU 40 2HG GLU 40 8.299 -4.693 0.781 107 H ILE 41 H ILE 41 6.733 -1.460 0.554 108 HA ILE 41 HA ILE 41 8.004 0.817 1.882 109 HB ILE 41 HB ILE 41 6.984 1.986 0.106 110 HG12 ILE 41 1HG1 ILE 41 4.666 2.655 1.548 111 HG13 ILE 41 2HG1 ILE 41 5.848 2.177 2.757 112 HG21 ILE 41 1HG2 ILE 41 4.849 -0.031 0.391 113 HG22 ILE 41 2HG2 ILE 41 5.546 0.689 -1.059 114 HG23 ILE 41 3HG2 ILE 41 4.352 1.584 -0.115 115 HD11 ILE 41 3HD1 ILE 41 6.007 4.527 2.444 116 HD12 ILE 41 1HD1 ILE 41 6.124 4.345 0.692 117 HD13 ILE 41 2HD1 ILE 41 7.442 3.792 1.725 118 H ARG 42 H ARG 42 7.541 0.885 3.980 119 HA ARG 42 HA ARG 42 5.574 -0.962 5.046 120 HB2 ARG 42 1HB ARG 42 8.066 -0.129 5.907 121 HB3 ARG 42 2HB ARG 42 6.965 0.716 6.987 122 HG2 ARG 42 1HG ARG 42 6.211 -1.207 7.957 123 HG3 ARG 42 2HG ARG 42 6.514 -2.181 6.517 124 HD2 ARG 42 1HD ARG 42 8.568 -2.731 7.204 125 HD3 ARG 42 2HD ARG 42 8.954 -1.066 7.634 126 HE ARG 42 HE ARG 42 8.293 -1.490 9.811 127 HH11 ARG 42 1HH1 ARG 42 7.584 -4.222 7.794 128 HH12 ARG 42 2HH1 ARG 42 7.240 -5.274 9.130 129 HH21 ARG 42 1HH2 ARG 42 7.856 -2.872 11.543 130 HH22 ARG 42 2HH2 ARG 42 7.403 -4.511 11.232 131 H VAL 43 H VAL 43 3.553 -0.267 5.033 132 HA VAL 43 HA VAL 43 2.960 2.534 5.688 133 HB VAL 43 HB VAL 43 1.117 0.400 4.579 134 HG11 VAL 43 1HG1 VAL 43 -0.568 1.840 4.782 135 HG12 VAL 43 2HG1 VAL 43 0.382 3.144 4.066 136 HG13 VAL 43 3HG1 VAL 43 0.487 2.822 5.798 137 HG21 VAL 43 3HG2 VAL 43 2.962 0.999 3.052 138 HG22 VAL 43 1HG2 VAL 43 2.460 2.687 3.147 139 HG23 VAL 43 2HG2 VAL 43 1.380 1.484 2.439 140 H GLU 44 H GLU 44 2.888 2.780 7.832 141 HA GLU 44 HA GLU 44 1.943 0.768 9.629 142 HB2 GLU 44 1HB GLU 44 3.639 2.696 10.050 143 HB3 GLU 44 2HB GLU 44 2.208 3.662 10.375 144 HG2 GLU 44 1HG GLU 44 2.453 2.964 12.475 145 HG3 GLU 44 2HG GLU 44 1.734 1.460 11.901 146 H VAL 45 H VAL 45 -0.083 0.271 10.017 147 HA VAL 45 HA VAL 45 -2.198 2.188 9.359 148 HB VAL 45 HB VAL 45 -2.220 -0.811 9.705 149 HG11 VAL 45 1HG1 VAL 45 -4.581 -0.800 9.186 150 HG12 VAL 45 2HG1 VAL 45 -4.583 0.961 9.120 151 HG13 VAL 45 3HG1 VAL 45 -4.283 0.137 10.650 152 HG21 VAL 45 3HG2 VAL 45 -2.349 -0.965 7.444 153 HG22 VAL 45 1HG2 VAL 45 -1.484 0.568 7.552 154 HG23 VAL 45 2HG2 VAL 45 -3.227 0.559 7.283 155 H MET 46 H MET 46 -2.412 3.458 11.127 156 HA MET 46 HA MET 46 -3.531 2.195 13.509 157 HB2 MET 46 1HB MET 46 -2.159 3.924 14.888 158 HB3 MET 46 2HB MET 46 -1.389 2.430 14.375 159 HG2 MET 46 1HG MET 46 -0.540 3.754 12.371 160 HG3 MET 46 2HG MET 46 -1.038 5.188 13.265 161 HE1 MET 46 3HE MET 46 -0.200 4.896 16.276 162 HE2 MET 46 1HE MET 46 0.063 6.211 15.131 163 HE3 MET 46 2HE MET 46 1.412 5.580 16.075 164 H GLY 47 H GLY 47 -5.516 3.011 12.755 165 HA2 GLY 47 1HA GLY 47 -7.224 4.578 13.050 166 HA3 GLY 47 2HA GLY 47 -6.016 5.777 13.494 167 H GLY 48 H GLY 48 -4.894 4.346 10.806 168 HA2 GLY 48 1HA GLY 48 -6.252 5.067 8.587 169 HA3 GLY 48 2HA GLY 48 -5.531 6.582 9.113 170 H TYR 49 H TYR 49 -4.494 6.267 6.906 171 HA TYR 49 HA TYR 49 -2.278 4.366 6.918 172 HB2 TYR 49 1HB TYR 49 -3.077 6.331 4.757 173 HB3 TYR 49 2HB TYR 49 -1.949 4.992 4.592 174 HD1 TYR 49 HD2 TYR 49 -3.212 2.685 5.614 175 HD2 TYR 49 HD1 TYR 49 -5.024 5.964 3.596 176 HE1 TYR 49 HE2 TYR 49 -5.064 1.225 4.917 177 HE2 TYR 49 HE1 TYR 49 -6.880 4.513 2.893 178 HH TYR 49 HH TYR 49 -7.463 1.491 4.235 179 H THR 50 H THR 50 -0.256 4.923 7.502 180 HA THR 50 HA THR 50 0.313 7.519 8.470 181 HB THR 50 HB THR 50 2.156 5.192 7.927 182 HG1 THR 50 HG1 THR 50 0.787 4.830 9.657 183 HG21 THR 50 3HG2 THR 50 2.848 7.679 9.484 184 HG22 THR 50 1HG2 THR 50 3.309 7.443 7.796 185 HG23 THR 50 2HG2 THR 50 3.915 6.346 9.040 186 HA PRO 51 HA PRO 51 2.925 8.417 4.591 187 HB2 PRO 51 1HB PRO 51 3.162 6.617 2.598 188 HB3 PRO 51 2HB PRO 51 4.237 6.609 4.001 189 HG2 PRO 51 1HG PRO 51 1.839 4.907 3.442 190 HG3 PRO 51 2HG PRO 51 3.415 4.436 4.104 191 HD2 PRO 51 1HD PRO 51 1.222 4.842 5.657 192 HD3 PRO 51 2HD PRO 51 2.881 5.136 6.216 193 H GLU 52 H GLU 52 1.172 9.792 4.216 194 HA GLU 52 HA GLU 52 -1.268 9.213 3.076 195 HB2 GLU 52 1HB GLU 52 -1.221 11.629 2.251 196 HB3 GLU 52 2HB GLU 52 -1.028 11.364 3.977 197 HG2 GLU 52 1HG GLU 52 1.547 11.367 2.769 198 HG3 GLU 52 2HG GLU 52 0.656 12.781 2.208 199 H LEU 53 H LEU 53 1.747 9.983 1.373 200 HA LEU 53 HA LEU 53 0.511 8.930 -1.074 201 HB2 LEU 53 1HB LEU 53 2.541 10.860 -1.715 202 HB3 LEU 53 2HB LEU 53 0.875 10.785 -2.241 203 HG LEU 53 HG LEU 53 1.419 11.871 0.472 204 HD11 LEU 53 1HD1 LEU 53 2.905 13.331 -0.358 205 HD12 LEU 53 2HD1 LEU 53 1.488 14.122 -1.046 206 HD13 LEU 53 3HD1 LEU 53 2.442 13.011 -2.028 207 HD21 LEU 53 3HD2 LEU 53 -0.529 13.147 0.058 208 HD22 LEU 53 1HD2 LEU 53 -0.873 11.533 -0.568 209 HD23 LEU 53 2HD2 LEU 53 -0.454 12.838 -1.677 210 H ILE 54 H ILE 54 1.563 7.185 -1.736 211 HA ILE 54 HA ILE 54 4.369 6.824 -0.936 212 HB ILE 54 HB ILE 54 3.965 4.448 -1.844 213 HG12 ILE 54 1HG1 ILE 54 1.093 5.327 -1.474 214 HG13 ILE 54 2HG1 ILE 54 1.857 4.970 -3.021 215 HG21 ILE 54 1HG2 ILE 54 3.402 5.692 0.665 216 HG22 ILE 54 2HG2 ILE 54 4.034 4.079 0.336 217 HG23 ILE 54 3HG2 ILE 54 2.292 4.344 0.414 218 HD11 ILE 54 3HD1 ILE 54 1.096 2.901 -2.761 219 HD12 ILE 54 1HD1 ILE 54 0.683 3.188 -1.070 220 HD13 ILE 54 2HD1 ILE 54 2.323 2.705 -1.508 221 H VAL 55 H VAL 55 5.982 6.998 -2.348 222 HA VAL 55 HA VAL 55 5.310 7.343 -5.182 223 HB VAL 55 HB VAL 55 7.861 7.985 -3.693 224 HG11 VAL 55 1HG1 VAL 55 7.482 7.575 -6.450 225 HG12 VAL 55 2HG1 VAL 55 8.897 8.246 -5.635 226 HG13 VAL 55 3HG1 VAL 55 7.619 9.318 -6.211 227 HG21 VAL 55 3HG2 VAL 55 6.028 9.449 -3.074 228 HG22 VAL 55 1HG2 VAL 55 5.692 9.778 -4.775 229 HG23 VAL 55 2HG2 VAL 55 7.208 10.324 -4.054 230 H LEU 56 H LEU 56 5.769 5.869 -6.667 231 HA LEU 56 HA LEU 56 7.854 3.860 -6.137 232 HB2 LEU 56 1HB LEU 56 5.070 3.276 -7.148 233 HB3 LEU 56 2HB LEU 56 6.378 2.112 -7.099 234 HG LEU 56 HG LEU 56 5.684 3.431 -4.536 235 HD11 LEU 56 1HD1 LEU 56 3.781 2.046 -4.120 236 HD12 LEU 56 2HD1 LEU 56 3.955 1.250 -5.685 237 HD13 LEU 56 3HD1 LEU 56 3.487 2.949 -5.607 238 HD21 LEU 56 3HD2 LEU 56 7.417 1.835 -4.462 239 HD22 LEU 56 1HD2 LEU 56 6.507 0.688 -5.444 240 HD23 LEU 56 2HD2 LEU 56 5.998 1.032 -3.791 241 H LYS 57 H LYS 57 8.463 2.635 -8.147 242 HA LYS 57 HA LYS 57 8.641 4.499 -10.383 243 HB2 LYS 57 1HB LYS 57 10.151 2.128 -9.465 244 HB3 LYS 57 2HB LYS 57 10.057 2.347 -11.208 245 HG2 LYS 57 1HG LYS 57 11.292 4.270 -11.175 246 HG3 LYS 57 2HG LYS 57 10.815 4.677 -9.525 247 HD2 LYS 57 1HD LYS 57 12.481 3.457 -8.602 248 HD3 LYS 57 2HD LYS 57 12.380 2.197 -9.832 249 HE2 LYS 57 1HE LYS 57 13.642 3.489 -11.377 250 HE3 LYS 57 2HE LYS 57 13.533 4.925 -10.360 251 HZ1 LYS 57 3HZ LYS 57 15.127 2.477 -9.898 252 HZ2 LYS 57 1HZ LYS 57 14.793 3.568 -8.638 253 HZ3 LYS 57 2HZ LYS 57 15.666 4.075 -10.004 254 H LYS 58 H LYS 58 8.642 3.268 -12.652 255 HA LYS 58 HA LYS 58 6.047 1.882 -12.758 256 HB2 LYS 58 1HB LYS 58 6.358 4.099 -13.959 257 HB3 LYS 58 2HB LYS 58 7.415 3.239 -15.073 258 HG2 LYS 58 1HG LYS 58 5.560 1.717 -15.624 259 HG3 LYS 58 2HG LYS 58 4.508 2.649 -14.559 260 HD2 LYS 58 1HD LYS 58 3.995 3.758 -16.447 261 HD3 LYS 58 2HD LYS 58 5.505 4.617 -16.126 262 HE2 LYS 58 1HE LYS 58 6.186 3.951 -18.140 263 HE3 LYS 58 2HE LYS 58 6.293 2.323 -17.475 264 HZ1 LYS 58 3HZ LYS 58 3.821 2.163 -18.080 265 HZ2 LYS 58 1HZ LYS 58 4.956 2.090 -19.342 266 HZ3 LYS 58 2HZ LYS 58 4.108 3.523 -19.057 267 H SER 59 H SER 59 5.716 0.094 -14.054 268 HA SER 59 HA SER 59 6.146 -1.896 -15.046 269 HB2 SER 59 1HB SER 59 7.183 -0.562 -16.829 270 HB3 SER 59 2HB SER 59 8.719 -0.588 -15.964 271 HG SER 59 HG SER 59 8.493 -2.968 -16.110 272 H VAL 60 H VAL 60 7.220 -1.166 -12.317 273 HA VAL 60 HA VAL 60 9.094 -3.427 -12.065 274 HB VAL 60 HB VAL 60 10.157 -1.174 -11.716 275 HG11 VAL 60 1HG1 VAL 60 8.341 -1.119 -9.317 276 HG12 VAL 60 2HG1 VAL 60 8.343 0.008 -10.676 277 HG13 VAL 60 3HG1 VAL 60 9.713 -0.039 -9.566 278 HG21 VAL 60 3HG2 VAL 60 11.256 -3.059 -10.772 279 HG22 VAL 60 1HG2 VAL 60 10.120 -3.124 -9.425 280 HG23 VAL 60 2HG2 VAL 60 11.261 -1.786 -9.551 281 HA PRO 61 HA PRO 61 6.012 -5.115 -9.317 282 HB2 PRO 61 1HB PRO 61 7.643 -6.842 -7.938 283 HB3 PRO 61 2HB PRO 61 6.969 -7.183 -9.535 284 HG2 PRO 61 1HG PRO 61 9.694 -6.195 -8.798 285 HG3 PRO 61 2HG PRO 61 9.227 -7.387 -10.025 286 HD2 PRO 61 1HD PRO 61 9.864 -4.846 -10.666 287 HD3 PRO 61 2HD PRO 61 8.634 -5.763 -11.560 288 H ALA 62 H ALA 62 5.240 -4.044 -7.597 289 HA ALA 62 HA ALA 62 7.153 -3.251 -5.493 290 HB1 ALA 62 3HB ALA 62 5.862 -1.242 -5.109 291 HB2 ALA 62 1HB ALA 62 4.715 -1.711 -6.363 292 HB3 ALA 62 2HB ALA 62 6.379 -1.319 -6.793 293 H ARG 63 H ARG 63 6.586 -3.606 -3.386 294 HA ARG 63 HA ARG 63 3.957 -4.849 -2.954 295 HB2 ARG 63 1HB ARG 63 4.887 -6.428 -1.443 296 HB3 ARG 63 2HB ARG 63 5.871 -6.465 -2.894 297 HG2 ARG 63 1HG ARG 63 7.383 -4.808 -1.581 298 HG3 ARG 63 2HG ARG 63 6.535 -5.454 -0.177 299 HD2 ARG 63 1HD ARG 63 7.124 -7.762 -1.222 300 HD3 ARG 63 2HD ARG 63 8.350 -6.850 -2.100 301 HE ARG 63 HE ARG 63 9.089 -6.104 0.201 302 HH11 ARG 63 1HH1 ARG 63 7.598 -9.186 -0.373 303 HH12 ARG 63 2HH1 ARG 63 8.335 -9.928 1.003 304 HH21 ARG 63 1HH2 ARG 63 10.030 -7.074 1.998 305 HH22 ARG 63 2HH2 ARG 63 9.706 -8.743 2.336 306 H ILE 64 H ILE 64 2.707 -3.964 -1.511 307 HA ILE 64 HA ILE 64 3.788 -1.835 0.196 308 HB ILE 64 HB ILE 64 0.863 -2.439 -0.101 309 HG12 ILE 64 1HG1 ILE 64 1.980 -2.254 -2.381 310 HG13 ILE 64 2HG1 ILE 64 0.676 -1.116 -2.066 311 HG21 ILE 64 1HG2 ILE 64 1.653 -0.838 1.612 312 HG22 ILE 64 2HG2 ILE 64 0.584 -0.109 0.413 313 HG23 ILE 64 3HG2 ILE 64 2.325 0.160 0.322 314 HD11 ILE 64 3HD1 ILE 64 2.017 0.616 -2.412 315 HD12 ILE 64 1HD1 ILE 64 3.231 -0.533 -2.978 316 HD13 ILE 64 2HD1 ILE 64 3.228 -0.012 -1.291 317 H VAL 65 H VAL 65 4.313 -2.367 2.218 318 HA VAL 65 HA VAL 65 3.121 -4.721 3.468 319 HB VAL 65 HB VAL 65 5.212 -2.946 4.712 320 HG11 VAL 65 1HG1 VAL 65 5.829 -4.955 5.918 321 HG12 VAL 65 2HG1 VAL 65 4.636 -5.891 5.019 322 HG13 VAL 65 3HG1 VAL 65 4.110 -4.628 6.134 323 HG21 VAL 65 3HG2 VAL 65 6.168 -5.356 3.343 324 HG22 VAL 65 1HG2 VAL 65 6.874 -3.742 3.428 325 HG23 VAL 65 2HG2 VAL 65 5.590 -4.084 2.267 326 H PHE 66 H PHE 66 1.287 -4.478 4.575 327 HA PHE 66 HA PHE 66 0.749 -1.908 5.888 328 HB2 PHE 66 1HB PHE 66 -1.036 -4.208 5.097 329 HB3 PHE 66 2HB PHE 66 -1.596 -2.886 6.120 330 HD1 PHE 66 HD2 PHE 66 -1.287 -0.499 5.175 331 HD2 PHE 66 HD1 PHE 66 -1.186 -4.028 2.799 332 HE1 PHE 66 HE2 PHE 66 -1.779 0.841 3.171 333 HE2 PHE 66 HE1 PHE 66 -1.676 -2.694 0.790 334 HZ PHE 66 HZ PHE 66 -1.971 -0.256 0.978 335 H ASP 67 H ASP 67 1.274 -1.742 7.941 336 HA ASP 67 HA ASP 67 1.311 -4.133 9.649 337 HB2 ASP 67 1HB ASP 67 3.293 -2.482 9.442 338 HB3 ASP 67 2HB ASP 67 2.317 -1.396 10.423 339 H ARG 68 H ARG 68 -0.702 -4.484 10.449 340 HA ARG 68 HA ARG 68 -2.460 -2.305 11.110 341 HB2 ARG 68 1HB ARG 68 -2.765 -5.043 10.545 342 HB3 ARG 68 2HB ARG 68 -3.349 -4.816 12.189 343 HG2 ARG 68 1HG ARG 68 -4.378 -2.694 10.627 344 HG3 ARG 68 2HG ARG 68 -4.636 -4.192 9.732 345 HD2 ARG 68 1HD ARG 68 -5.255 -4.342 12.600 346 HD3 ARG 68 2HD ARG 68 -6.281 -3.246 11.677 347 HE ARG 68 HE ARG 68 -5.936 -5.857 10.499 348 HH11 ARG 68 1HH1 ARG 68 -7.850 -3.902 12.631 349 HH12 ARG 68 2HH1 ARG 68 -9.257 -4.891 12.464 350 HH21 ARG 68 1HH2 ARG 68 -7.761 -7.128 10.272 351 HH22 ARG 68 2HH2 ARG 68 -9.218 -6.709 11.128 352 H LYS 69 H LYS 69 -1.747 -1.106 12.758 353 HA LYS 69 HA LYS 69 -0.932 -2.379 15.261 354 HB2 LYS 69 1HB LYS 69 0.528 -0.633 14.588 355 HB3 LYS 69 2HB LYS 69 -0.807 0.442 14.207 356 HG2 LYS 69 1HG LYS 69 0.177 1.244 16.197 357 HG3 LYS 69 2HG LYS 69 -1.345 0.482 16.661 358 HD2 LYS 69 1HD LYS 69 -0.228 -1.446 17.481 359 HD3 LYS 69 2HD LYS 69 1.304 -0.945 16.764 360 HE2 LYS 69 1HE LYS 69 1.832 0.120 18.640 361 HE3 LYS 69 2HE LYS 69 0.410 1.148 18.457 362 HZ1 LYS 69 3HZ LYS 69 0.857 -1.067 20.238 363 HZ2 LYS 69 1HZ LYS 69 -0.626 -1.155 19.423 364 HZ3 LYS 69 2HZ LYS 69 -0.250 0.208 20.354 365 H ASP 70 H ASP 70 -3.480 -0.360 13.916 366 HA ASP 70 HA ASP 70 -4.883 -0.424 16.503 367 HB2 ASP 70 1HB ASP 70 -4.397 1.764 15.138 368 HB3 ASP 70 2HB ASP 70 -5.789 1.253 14.189 369 HA PRO 71 HA PRO 71 -7.634 -3.407 14.633 370 HB2 PRO 71 1HB PRO 71 -9.236 -3.816 16.723 371 HB3 PRO 71 2HB PRO 71 -7.542 -4.323 16.765 372 HG2 PRO 71 1HG PRO 71 -8.813 -1.874 17.938 373 HG3 PRO 71 2HG PRO 71 -7.634 -2.979 18.673 374 HD2 PRO 71 1HD PRO 71 -6.971 -0.582 17.510 375 HD3 PRO 71 2HD PRO 71 -5.860 -1.961 17.636 376 H SER 72 H SER 72 -8.141 -0.620 13.984 377 HA SER 72 HA SER 72 -10.857 0.045 14.525 378 HB2 SER 72 1HB SER 72 -8.800 1.500 13.645 379 HB3 SER 72 2HB SER 72 -9.523 1.115 12.083 380 HG SER 72 HG SER 72 -10.277 2.976 13.778 381 HA PRO 73 HA PRO 73 -12.967 -2.630 11.688 382 HB2 PRO 73 1HB PRO 73 -15.206 -1.112 11.272 383 HB3 PRO 73 2HB PRO 73 -14.934 -2.092 12.717 384 HG2 PRO 73 1HG PRO 73 -14.481 0.841 12.303 385 HG3 PRO 73 2HG PRO 73 -15.234 0.012 13.681 386 HD2 PRO 73 1HD PRO 73 -12.698 0.868 13.794 387 HD3 PRO 73 2HD PRO 73 -13.182 -0.667 14.546 388 H CYS 74 H CYS 74 -12.573 0.792 10.861 389 HA CYS 74 HA CYS 74 -13.201 0.420 8.088 390 HB2 CYS 74 1HB CYS 74 -12.049 2.765 7.963 391 HB3 CYS 74 2HB CYS 74 -13.613 2.598 8.752 392 HG CYS 74 HG CYS 74 -11.198 2.136 10.948 393 H LEU 75 H LEU 75 -10.527 -0.397 9.914 394 HA LEU 75 HA LEU 75 -8.736 -0.239 7.578 395 HB2 LEU 75 1HB LEU 75 -8.153 -0.189 10.530 396 HB3 LEU 75 2HB LEU 75 -6.908 -0.504 9.335 397 HG LEU 75 HG LEU 75 -8.584 1.995 9.273 398 HD11 LEU 75 1HD1 LEU 75 -5.876 1.697 10.551 399 HD12 LEU 75 2HD1 LEU 75 -7.392 1.744 11.452 400 HD13 LEU 75 3HD1 LEU 75 -6.890 3.140 10.497 401 HD21 LEU 75 3HD2 LEU 75 -7.537 2.100 7.290 402 HD22 LEU 75 1HD2 LEU 75 -6.335 0.893 7.748 403 HD23 LEU 75 2HD2 LEU 75 -6.133 2.573 8.249 404 H ASP 76 H ASP 76 -10.745 -2.353 8.716 405 HA ASP 76 HA ASP 76 -9.203 -4.634 9.400 406 HB2 ASP 76 1HB ASP 76 -11.657 -4.261 9.886 407 HB3 ASP 76 2HB ASP 76 -11.974 -4.628 8.194 408 H GLN 77 H GLN 77 -10.423 -3.386 6.337 409 HA GLN 77 HA GLN 77 -8.791 -5.396 4.944 410 HB2 GLN 77 1HB GLN 77 -11.653 -4.644 4.422 411 HB3 GLN 77 2HB GLN 77 -10.640 -5.265 3.128 412 HG2 GLN 77 1HG GLN 77 -10.653 -7.366 3.937 413 HG3 GLN 77 2HG GLN 77 -10.645 -6.837 5.618 414 HE21 GLN 77 2HE2 GLN 77 -12.417 -7.300 6.697 415 HE22 GLN 77 1HE2 GLN 77 -14.001 -7.465 6.025 416 H ILE 78 H ILE 78 -8.215 -4.761 2.718 417 HA ILE 78 HA ILE 78 -8.323 -1.865 2.244 418 HB ILE 78 HB ILE 78 -6.171 -2.172 3.277 419 HG12 ILE 78 1HG1 ILE 78 -4.953 -2.008 0.698 420 HG13 ILE 78 2HG1 ILE 78 -6.533 -1.237 0.612 421 HG21 ILE 78 1HG2 ILE 78 -4.460 -3.664 2.188 422 HG22 ILE 78 2HG2 ILE 78 -5.787 -4.390 1.282 423 HG23 ILE 78 3HG2 ILE 78 -5.763 -4.492 3.043 424 HD11 ILE 78 3HD1 ILE 78 -4.509 0.192 1.235 425 HD12 ILE 78 1HD1 ILE 78 -4.617 -0.586 2.812 426 HD13 ILE 78 2HD1 ILE 78 -5.974 0.359 2.201 427 H VAL 79 H VAL 79 -8.766 -1.335 0.185 428 HA VAL 79 HA VAL 79 -8.276 -3.342 -1.892 429 HB VAL 79 HB VAL 79 -10.496 -3.763 -1.851 430 HG11 VAL 79 1HG1 VAL 79 -10.609 -1.735 -0.025 431 HG12 VAL 79 2HG1 VAL 79 -11.960 -2.744 -0.541 432 HG13 VAL 79 3HG1 VAL 79 -11.691 -1.173 -1.301 433 HG21 VAL 79 3HG2 VAL 79 -10.393 -1.221 -3.462 434 HG22 VAL 79 1HG2 VAL 79 -11.791 -2.297 -3.421 435 HG23 VAL 79 2HG2 VAL 79 -10.246 -2.879 -4.043 436 H PHE 80 H PHE 80 -7.434 -2.627 -3.692 437 HA PHE 80 HA PHE 80 -6.904 0.235 -3.968 438 HB2 PHE 80 1HB PHE 80 -5.709 -2.283 -5.065 439 HB3 PHE 80 2HB PHE 80 -5.493 -0.791 -5.965 440 HD1 PHE 80 HD1 PHE 80 -5.015 -2.267 -2.588 441 HD2 PHE 80 HD2 PHE 80 -3.767 0.655 -5.421 442 HE1 PHE 80 HE1 PHE 80 -3.111 -1.682 -1.141 443 HE2 PHE 80 HE2 PHE 80 -1.861 1.245 -3.978 444 HZ PHE 80 HZ PHE 80 -1.531 0.075 -1.835 445 HA PRO 81 HA PRO 81 -10.475 0.042 -6.799 446 HB2 PRO 81 1HB PRO 81 -10.714 2.744 -7.082 447 HB3 PRO 81 2HB PRO 81 -11.390 1.835 -5.726 448 HG2 PRO 81 1HG PRO 81 -8.861 3.422 -5.873 449 HG3 PRO 81 2HG PRO 81 -10.054 3.337 -4.565 450 HD2 PRO 81 1HD PRO 81 -7.714 1.986 -4.493 451 HD3 PRO 81 2HD PRO 81 -9.198 1.359 -3.747 452 H ASP 82 H ASP 82 -7.342 1.415 -7.295 453 HA ASP 82 HA ASP 82 -7.901 1.849 -10.138 454 HB2 ASP 82 1HB ASP 82 -5.550 2.645 -8.412 455 HB3 ASP 82 2HB ASP 82 -5.622 2.904 -10.154 456 H PHE 83 H PHE 83 -6.740 -0.592 -8.154 457 HA PHE 83 HA PHE 83 -5.197 -1.758 -10.382 458 HB2 PHE 83 1HB PHE 83 -4.742 -1.894 -7.415 459 HB3 PHE 83 2HB PHE 83 -4.095 -3.136 -8.481 460 HD1 PHE 83 HD1 PHE 83 -3.939 0.408 -7.548 461 HD2 PHE 83 HD2 PHE 83 -2.258 -2.676 -9.949 462 HE1 PHE 83 HE1 PHE 83 -2.008 1.845 -8.032 463 HE2 PHE 83 HE2 PHE 83 -0.319 -1.241 -10.437 464 HZ PHE 83 HZ PHE 83 -0.196 1.025 -9.477 465 H GLY 84 H GLY 84 -7.831 -2.166 -8.194 466 HA2 GLY 84 1HA GLY 84 -9.529 -3.747 -8.247 467 HA3 GLY 84 2HA GLY 84 -8.681 -4.563 -9.554 468 H VAL 85 H VAL 85 -7.241 -3.776 -6.470 469 HA VAL 85 HA VAL 85 -7.053 -6.656 -5.865 470 HB VAL 85 HB VAL 85 -5.081 -4.425 -5.392 471 HG11 VAL 85 1HG1 VAL 85 -3.879 -6.788 -4.569 472 HG12 VAL 85 2HG1 VAL 85 -5.477 -6.816 -3.827 473 HG13 VAL 85 3HG1 VAL 85 -4.401 -5.448 -3.547 474 HG21 VAL 85 3HG2 VAL 85 -4.987 -6.984 -6.971 475 HG22 VAL 85 1HG2 VAL 85 -3.571 -5.987 -6.637 476 HG23 VAL 85 2HG2 VAL 85 -4.909 -5.331 -7.582 477 H HIS 86 H HIS 86 -8.215 -7.242 -4.135 478 HA HIS 86 HA HIS 86 -8.429 -5.347 -1.886 479 HB2 HIS 86 1HB HIS 86 -10.606 -5.427 -2.886 480 HB3 HIS 86 2HB HIS 86 -10.559 -7.174 -3.001 481 HD1 HIS 86 HD1 HIS 86 -11.889 -8.325 -1.266 482 HD2 HIS 86 HD2 HIS 86 -10.531 -4.621 0.041 483 HE1 HIS 86 HE1 HIS 86 -12.855 -8.028 1.036 484 H ALA 87 H ALA 87 -7.550 -6.061 -0.076 485 HA ALA 87 HA ALA 87 -7.468 -8.963 0.427 486 HB1 ALA 87 3HB ALA 87 -5.267 -8.963 0.118 487 HB2 ALA 87 1HB ALA 87 -5.132 -7.960 1.564 488 HB3 ALA 87 2HB ALA 87 -5.225 -7.206 -0.029 489 H ASN 88 H ASN 88 -6.996 -9.493 2.717 490 HA ASN 88 HA ASN 88 -8.298 -7.549 4.499 491 HB2 ASN 88 1HB ASN 88 -7.872 -10.371 5.357 492 HB3 ASN 88 2HB ASN 88 -9.219 -9.289 5.689 493 HD21 ASN 88 2HD2 ASN 88 -8.274 -11.967 4.019 494 HD22 ASN 88 1HD2 ASN 88 -9.519 -12.003 2.823 495 H LEU 89 H LEU 89 -7.310 -6.854 6.368 496 HA LEU 89 HA LEU 89 -4.473 -7.569 6.615 497 HB2 LEU 89 1HB LEU 89 -5.909 -5.239 7.880 498 HB3 LEU 89 2HB LEU 89 -4.177 -5.508 7.830 499 HG LEU 89 HG LEU 89 -5.895 -4.990 5.403 500 HD11 LEU 89 1HD1 LEU 89 -5.879 -2.987 6.658 501 HD12 LEU 89 2HD1 LEU 89 -4.650 -2.796 5.408 502 HD13 LEU 89 3HD1 LEU 89 -4.173 -3.170 7.065 503 HD21 LEU 89 3HD2 LEU 89 -3.560 -4.496 4.452 504 HD22 LEU 89 1HD2 LEU 89 -4.043 -6.180 4.649 505 HD23 LEU 89 2HD2 LEU 89 -2.962 -5.429 5.823 506 HA PRO 90 HA PRO 90 -5.534 -9.680 10.397 507 HB2 PRO 90 1HB PRO 90 -3.085 -10.668 10.927 508 HB3 PRO 90 2HB PRO 90 -4.097 -11.307 9.628 509 HG2 PRO 90 1HG PRO 90 -1.733 -9.506 9.476 510 HG3 PRO 90 2HG PRO 90 -2.263 -10.763 8.350 511 HD2 PRO 90 1HD PRO 90 -2.670 -8.016 8.056 512 HD3 PRO 90 2HD PRO 90 -3.517 -9.293 7.167 513 H MET 91 H MET 91 -5.755 -8.840 12.378 514 HA MET 91 HA MET 91 -4.427 -6.483 13.192 515 HB2 MET 91 1HB MET 91 -6.674 -6.986 13.951 516 HB3 MET 91 2HB MET 91 -6.108 -8.437 14.766 517 HG2 MET 91 1HG MET 91 -6.538 -6.541 16.287 518 HG3 MET 91 2HG MET 91 -4.887 -7.149 16.360 519 HE1 MET 91 3HE MET 91 -3.217 -5.331 16.970 520 HE2 MET 91 1HE MET 91 -4.696 -4.808 17.777 521 HE3 MET 91 2HE MET 91 -3.698 -3.634 16.916 522 H GLY 92 H GLY 92 -2.541 -6.188 14.157 523 HA2 GLY 92 1HA GLY 92 -0.766 -6.559 15.612 524 HA3 GLY 92 2HA GLY 92 -1.463 -8.117 16.024 525 H GLU 93 H GLU 93 -1.216 -7.654 12.675 526 HA GLU 93 HA GLU 93 1.431 -8.907 12.547 527 HB2 GLU 93 1HB GLU 93 -1.068 -9.972 11.225 528 HB3 GLU 93 2HB GLU 93 0.559 -10.520 10.844 529 HG2 GLU 93 1HG GLU 93 -0.459 -10.624 13.652 530 HG3 GLU 93 2HG GLU 93 -0.899 -11.876 12.491 531 H GLU 94 H GLU 94 2.001 -9.182 10.062 532 HA GLU 94 HA GLU 94 1.370 -6.600 8.788 533 HB2 GLU 94 1HB GLU 94 3.883 -8.261 8.740 534 HB3 GLU 94 2HB GLU 94 3.591 -6.962 7.593 535 HG2 GLU 94 1HG GLU 94 4.180 -5.409 9.060 536 HG3 GLU 94 2HG GLU 94 3.150 -6.097 10.315 537 H TYR 95 H TYR 95 0.600 -6.549 6.775 538 HA TYR 95 HA TYR 95 0.524 -9.068 5.237 539 HB2 TYR 95 1HB TYR 95 -1.694 -8.133 6.295 540 HB3 TYR 95 2HB TYR 95 -1.637 -7.008 4.942 541 HD1 TYR 95 HD1 TYR 95 -1.886 -10.571 5.874 542 HD2 TYR 95 HD2 TYR 95 -2.163 -7.723 2.725 543 HE1 TYR 95 HE1 TYR 95 -2.909 -12.278 4.428 544 HE2 TYR 95 HE2 TYR 95 -3.188 -9.421 1.272 545 HH TYR 95 HH TYR 95 -3.114 -12.064 1.194 546 H VAL 96 H VAL 96 1.370 -8.938 3.232 547 HA VAL 96 HA VAL 96 2.004 -6.246 2.247 548 HB VAL 96 HB VAL 96 3.855 -7.967 2.759 549 HG11 VAL 96 1HG1 VAL 96 3.851 -8.938 0.034 550 HG12 VAL 96 2HG1 VAL 96 2.449 -9.511 0.938 551 HG13 VAL 96 3HG1 VAL 96 4.077 -9.816 1.547 552 HG21 VAL 96 3HG2 VAL 96 3.631 -6.267 0.313 553 HG22 VAL 96 1HG2 VAL 96 5.099 -7.189 0.631 554 HG23 VAL 96 2HG2 VAL 96 4.546 -5.984 1.793 555 H VAL 97 H VAL 97 1.397 -5.538 0.301 556 HA VAL 97 HA VAL 97 -0.229 -7.344 -1.375 557 HB VAL 97 HB VAL 97 -0.404 -4.343 -1.026 558 HG11 VAL 97 1HG1 VAL 97 -0.714 -5.067 -3.406 559 HG12 VAL 97 2HG1 VAL 97 -2.121 -4.282 -2.689 560 HG13 VAL 97 3HG1 VAL 97 -2.086 -6.034 -2.870 561 HG21 VAL 97 3HG2 VAL 97 -2.807 -5.016 -0.439 562 HG22 VAL 97 1HG2 VAL 97 -1.543 -5.355 0.745 563 HG23 VAL 97 2HG2 VAL 97 -2.164 -6.652 -0.276 564 H GLU 98 H GLU 98 0.846 -8.001 -3.118 565 HA GLU 98 HA GLU 98 2.988 -6.343 -4.214 566 HB2 GLU 98 1HB GLU 98 2.290 -9.222 -4.304 567 HB3 GLU 98 2HB GLU 98 3.082 -8.564 -5.731 568 HG2 GLU 98 1HG GLU 98 5.036 -8.120 -4.617 569 HG3 GLU 98 2HG GLU 98 4.237 -7.991 -3.049 570 H ILE 99 H ILE 99 2.643 -5.040 -5.875 571 HA ILE 99 HA ILE 99 0.695 -5.815 -7.941 572 HB ILE 99 HB ILE 99 0.313 -3.168 -8.026 573 HG12 ILE 99 1HG1 ILE 99 0.588 -3.727 -5.064 574 HG13 ILE 99 2HG1 ILE 99 1.774 -2.834 -6.010 575 HG21 ILE 99 1HG2 ILE 99 -1.147 -5.163 -6.307 576 HG22 ILE 99 2HG2 ILE 99 -1.480 -4.738 -7.988 577 HG23 ILE 99 3HG2 ILE 99 -1.774 -3.563 -6.705 578 HD11 ILE 99 3HD1 ILE 99 -0.621 -1.903 -4.775 579 HD12 ILE 99 1HD1 ILE 99 -0.714 -1.634 -6.516 580 HD13 ILE 99 2HD1 ILE 99 0.642 -0.985 -5.594 581 H THR 100 H THR 100 1.013 -4.729 -9.999 582 HA THR 100 HA THR 100 3.787 -3.790 -10.350 583 HB THR 100 HB THR 100 2.247 -5.218 -12.506 584 HG1 THR 100 HG1 THR 100 3.221 -7.133 -11.817 585 HG21 THR 100 3HG2 THR 100 5.217 -4.946 -12.034 586 HG22 THR 100 1HG2 THR 100 4.278 -3.880 -13.082 587 HG23 THR 100 2HG2 THR 100 4.420 -5.597 -13.467 588 HA PRO 101 HA PRO 101 1.299 -0.264 -11.848 589 HB2 PRO 101 1HB PRO 101 3.207 1.596 -11.410 590 HB3 PRO 101 2HB PRO 101 2.187 0.968 -10.108 591 HG2 PRO 101 1HG PRO 101 4.980 0.183 -10.867 592 HG3 PRO 101 2HG PRO 101 4.314 0.504 -9.258 593 HD2 PRO 101 1HD PRO 101 4.644 -1.999 -10.218 594 HD3 PRO 101 2HD PRO 101 3.318 -1.572 -9.118 595 H GLU 102 H GLU 102 1.241 -0.731 -14.046 596 HA GLU 102 HA GLU 102 3.700 -0.433 -15.601 597 HB2 GLU 102 1HB GLU 102 0.960 -1.425 -16.382 598 HB3 GLU 102 2HB GLU 102 2.323 -1.319 -17.483 599 HG2 GLU 102 1HG GLU 102 3.198 -3.224 -16.742 600 HG3 GLU 102 2HG GLU 102 2.977 -2.766 -15.056 601 H GLN 103 H GLN 103 1.460 1.648 -14.512 602 HA GLN 103 HA GLN 103 1.734 3.387 -16.864 603 HB2 GLN 103 1HB GLN 103 -0.646 2.312 -16.182 604 HB3 GLN 103 2HB GLN 103 -0.670 3.751 -15.171 605 HG2 GLN 103 1HG GLN 103 -1.656 4.573 -17.041 606 HG3 GLN 103 2HG GLN 103 0.029 4.932 -17.408 607 HE21 GLN 103 2HE2 GLN 103 -2.497 2.518 -17.913 608 HE22 GLN 103 1HE2 GLN 103 -1.937 2.005 -19.462 609 H ALA 104 H ALA 104 2.404 5.424 -16.449 610 HA ALA 104 HA ALA 104 3.116 6.059 -13.697 611 HB1 ALA 104 3HB ALA 104 4.893 7.001 -14.630 612 HB2 ALA 104 1HB ALA 104 3.860 8.140 -15.493 613 HB3 ALA 104 2HB ALA 104 4.266 6.588 -16.227 614 H GLY 105 H GLY 105 1.967 7.351 -12.442 615 HA2 GLY 105 1HA GLY 105 0.848 9.781 -13.042 616 HA3 GLY 105 2HA GLY 105 -0.416 8.617 -13.408 617 H GLU 106 H GLU 106 -1.673 9.622 -11.747 618 HA GLU 106 HA GLU 106 -0.753 9.138 -9.007 619 HB2 GLU 106 1HB GLU 106 -2.538 11.105 -10.274 620 HB3 GLU 106 2HB GLU 106 -3.112 10.481 -8.733 621 HG2 GLU 106 1HG GLU 106 -1.312 11.345 -7.563 622 HG3 GLU 106 2HG GLU 106 -0.307 11.471 -9.006 623 H PHE 107 H PHE 107 -1.519 7.534 -7.854 624 HA PHE 107 HA PHE 107 -4.021 6.210 -8.699 625 HB2 PHE 107 1HB PHE 107 -1.484 5.049 -7.541 626 HB3 PHE 107 2HB PHE 107 -2.992 4.145 -7.611 627 HD1 PHE 107 HD1 PHE 107 -0.281 5.639 -9.578 628 HD2 PHE 107 HD2 PHE 107 -3.815 3.284 -9.684 629 HE1 PHE 107 HE1 PHE 107 0.253 4.952 -11.880 630 HE2 PHE 107 HE2 PHE 107 -3.293 2.589 -11.985 631 HZ PHE 107 HZ PHE 107 -1.256 3.423 -13.086 632 H SER 108 H SER 108 -4.984 4.900 -6.738 633 HA SER 108 HA SER 108 -4.542 6.236 -4.194 634 HB2 SER 108 1HB SER 108 -6.835 6.973 -3.923 635 HB3 SER 108 2HB SER 108 -6.178 7.671 -5.403 636 HG SER 108 HG SER 108 -7.196 5.734 -6.447 637 H PHE 109 H PHE 109 -5.648 5.277 -2.407 638 HA PHE 109 HA PHE 109 -7.017 2.750 -2.813 639 HB2 PHE 109 1HB PHE 109 -5.508 1.520 -1.250 640 HB3 PHE 109 2HB PHE 109 -4.754 1.941 -2.779 641 HD1 PHE 109 HD2 PHE 109 -3.081 3.776 -2.861 642 HD2 PHE 109 HD1 PHE 109 -4.668 2.324 0.812 643 HE1 PHE 109 HE2 PHE 109 -1.209 4.808 -1.645 644 HE2 PHE 109 HE1 PHE 109 -2.795 3.348 2.032 645 HZ PHE 109 HZ PHE 109 -1.062 4.593 0.804 646 H ALA 110 H ALA 110 -8.561 2.418 -1.332 647 HA ALA 110 HA ALA 110 -8.386 3.400 1.361 648 HB1 ALA 110 3HB ALA 110 -10.646 4.720 0.934 649 HB2 ALA 110 1HB ALA 110 -9.943 4.907 -0.674 650 HB3 ALA 110 2HB ALA 110 -9.070 5.490 0.742 651 H CYS 111 H CYS 111 -10.434 2.913 2.600 652 HA CYS 111 HA CYS 111 -12.190 0.959 1.343 653 HB2 CYS 111 1HB CYS 111 -10.084 -0.159 2.404 654 HB3 CYS 111 2HB CYS 111 -10.895 0.170 3.930 655 HG CYS 111 HG CYS 111 -11.267 -2.391 2.023 656 H GLY 112 H GLY 112 -14.064 0.426 2.642 657 HA2 GLY 112 1HA GLY 112 -15.597 0.782 4.380 658 HA3 GLY 112 2HA GLY 112 -14.541 2.028 5.025 659 H MET 113 H MET 113 -14.692 4.143 4.235 660 HA MET 113 HA MET 113 -16.796 4.742 2.303 661 HB2 MET 113 1HB MET 113 -17.158 5.000 5.126 662 HB3 MET 113 2HB MET 113 -17.118 6.610 4.424 663 HG2 MET 113 1HG MET 113 -18.829 4.479 3.218 664 HG3 MET 113 2HG MET 113 -19.371 5.362 4.644 665 HE1 MET 113 3HE MET 113 -20.434 8.717 3.449 666 HE2 MET 113 1HE MET 113 -19.521 7.965 4.757 667 HE3 MET 113 2HE MET 113 -21.054 7.266 4.238 668 H ASN 114 H ASN 114 -16.922 7.452 2.518 669 HA ASN 114 HA ASN 114 -14.386 8.253 1.424 670 HB2 ASN 114 1HB ASN 114 -16.881 8.990 0.836 671 HB3 ASN 114 2HB ASN 114 -16.512 10.260 1.997 672 HD21 ASN 114 2HD2 ASN 114 -14.661 11.600 1.581 673 HD22 ASN 114 1HD2 ASN 114 -14.161 11.882 -0.050 674 H MET 115 H MET 115 -13.746 7.578 3.903 675 HA MET 115 HA MET 115 -13.297 10.153 5.269 676 HB2 MET 115 1HB MET 115 -14.452 7.680 6.295 677 HB3 MET 115 2HB MET 115 -13.083 8.229 7.252 678 HG2 MET 115 1HG MET 115 -15.323 10.074 6.513 679 HG3 MET 115 2HG MET 115 -15.412 9.021 7.923 680 HE1 MET 115 3HE MET 115 -14.641 12.809 9.087 681 HE2 MET 115 1HE MET 115 -15.914 11.597 8.939 682 HE3 MET 115 2HE MET 115 -15.330 12.441 7.506 683 H MET 116 H MET 116 -11.974 7.299 3.950 684 HA MET 116 HA MET 116 -9.469 7.446 5.396 685 HB2 MET 116 1HB MET 116 -10.357 5.729 3.074 686 HB3 MET 116 2HB MET 116 -8.792 5.592 3.865 687 HG2 MET 116 1HG MET 116 -10.809 5.492 5.859 688 HG3 MET 116 2HG MET 116 -11.241 4.371 4.570 689 HE1 MET 116 3HE MET 116 -7.886 5.671 5.924 690 HE2 MET 116 1HE MET 116 -7.195 4.282 6.762 691 HE3 MET 116 2HE MET 116 -8.570 5.138 7.461 692 H HIS 117 H HIS 117 -7.384 7.532 4.149 693 HA HIS 117 HA HIS 117 -7.509 9.073 1.681 694 HB2 HIS 117 1HB HIS 117 -6.929 10.248 4.263 695 HB3 HIS 117 2HB HIS 117 -5.570 10.439 3.164 696 HD1 HIS 117 HD1 HIS 117 -9.239 10.570 2.224 697 HD2 HIS 117 HD2 HIS 117 -5.910 13.059 2.447 698 HE1 HIS 117 HE1 HIS 117 -9.950 12.752 1.186 699 H GLY 118 H GLY 118 -6.352 7.760 0.422 700 HA2 GLY 118 1HA GLY 118 -3.553 7.269 1.167 701 HA3 GLY 118 2HA GLY 118 -4.549 5.897 0.700 702 H LYS 119 H LYS 119 -2.345 8.087 -0.431 703 HA LYS 119 HA LYS 119 -3.342 7.798 -3.193 704 HB2 LYS 119 1HB LYS 119 -3.274 10.153 -2.091 705 HB3 LYS 119 2HB LYS 119 -1.541 10.047 -2.364 706 HG2 LYS 119 1HG LYS 119 -1.752 10.174 -4.641 707 HG3 LYS 119 2HG LYS 119 -3.383 9.505 -4.637 708 HD2 LYS 119 1HD LYS 119 -4.090 11.610 -4.901 709 HD3 LYS 119 2HD LYS 119 -3.661 11.845 -3.206 710 HE2 LYS 119 1HE LYS 119 -1.698 12.930 -3.714 711 HE3 LYS 119 2HE LYS 119 -1.544 12.144 -5.285 712 HZ1 LYS 119 3HZ LYS 119 -3.849 13.872 -4.994 713 HZ2 LYS 119 1HZ LYS 119 -2.766 13.718 -6.294 714 HZ3 LYS 119 2HZ LYS 119 -2.357 14.666 -4.945 715 H MET 120 H MET 120 -1.851 7.393 -4.826 716 HA MET 120 HA MET 120 0.895 6.743 -3.978 717 HB2 MET 120 1HB MET 120 -0.382 4.656 -4.087 718 HB3 MET 120 2HB MET 120 -0.893 5.037 -5.722 719 HG2 MET 120 1HG MET 120 1.844 5.174 -5.887 720 HG3 MET 120 2HG MET 120 1.575 3.839 -4.768 721 HE1 MET 120 3HE MET 120 0.328 1.019 -6.749 722 HE2 MET 120 1HE MET 120 -0.778 1.967 -5.753 723 HE3 MET 120 2HE MET 120 0.886 1.712 -5.225 724 H ILE 121 H ILE 121 2.496 7.279 -5.428 725 HA ILE 121 HA ILE 121 1.593 8.403 -8.007 726 HB ILE 121 HB ILE 121 3.788 9.455 -6.212 727 HG12 ILE 121 1HG1 ILE 121 2.163 11.555 -6.867 728 HG13 ILE 121 2HG1 ILE 121 1.005 10.233 -6.796 729 HG21 ILE 121 1HG2 ILE 121 4.555 9.557 -8.501 730 HG22 ILE 121 2HG2 ILE 121 4.126 11.179 -7.953 731 HG23 ILE 121 3HG2 ILE 121 3.032 10.289 -9.012 732 HD11 ILE 121 3HD1 ILE 121 1.481 9.807 -4.539 733 HD12 ILE 121 1HD1 ILE 121 1.360 11.561 -4.679 734 HD13 ILE 121 2HD1 ILE 121 2.944 10.791 -4.578 735 H VAL 122 H VAL 122 2.346 7.335 -9.695 736 HA VAL 122 HA VAL 122 4.759 5.687 -9.369 737 HB VAL 122 HB VAL 122 2.573 5.535 -11.451 738 HG11 VAL 122 1HG1 VAL 122 4.663 3.436 -11.083 739 HG12 VAL 122 2HG1 VAL 122 5.019 4.857 -12.063 740 HG13 VAL 122 3HG1 VAL 122 3.673 3.802 -12.496 741 HG21 VAL 122 3HG2 VAL 122 2.108 4.784 -9.051 742 HG22 VAL 122 1HG2 VAL 122 3.245 3.474 -9.375 743 HG23 VAL 122 2HG2 VAL 122 1.778 3.630 -10.342 744 H GLU 123 H GLU 123 6.597 6.311 -10.275 745 HA GLU 123 HA GLU 123 6.589 8.545 -12.150 746 HB2 GLU 123 1HB GLU 123 8.749 7.148 -10.589 747 HB3 GLU 123 2HB GLU 123 9.130 8.307 -11.853 748 HG2 GLU 123 1HG GLU 123 7.507 9.859 -10.530 749 HG3 GLU 123 2HG GLU 123 7.843 8.750 -9.202 Start of MODEL 13 1 HA2 GLY 26 1HA GLY 26 9.598 12.630 1.199 2 HA3 GLY 26 2HA GLY 26 11.129 13.485 1.087 3 H ALA 27 H ALA 27 9.033 15.839 0.611 4 HA ALA 27 HA ALA 27 9.038 16.640 3.431 5 HB1 ALA 27 3HB ALA 27 8.566 18.895 2.588 6 HB2 ALA 27 1HB ALA 27 8.493 18.260 0.946 7 HB3 ALA 27 2HB ALA 27 10.009 18.207 1.845 8 H MET 28 H MET 28 6.926 15.346 1.145 9 HA MET 28 HA MET 28 4.619 16.063 2.820 10 HB2 MET 28 1HB MET 28 3.356 15.837 0.480 11 HB3 MET 28 2HB MET 28 3.995 17.367 1.060 12 HG2 MET 28 1HG MET 28 5.991 17.063 -0.298 13 HG3 MET 28 2HG MET 28 5.385 15.506 -0.857 14 HE1 MET 28 3HE MET 28 4.932 19.283 -3.016 15 HE2 MET 28 1HE MET 28 6.300 18.285 -2.525 16 HE3 MET 28 2HE MET 28 5.463 19.281 -1.334 17 H GLY 29 H GLY 29 5.713 13.864 0.229 18 HA2 GLY 29 1HA GLY 29 3.971 11.777 1.348 19 HA3 GLY 29 2HA GLY 29 4.661 11.775 -0.266 20 H GLN 30 H GLN 30 5.235 9.551 0.323 21 HA GLN 30 HA GLN 30 7.862 9.520 1.655 22 HB2 GLN 30 1HB GLN 30 5.531 7.690 2.145 23 HB3 GLN 30 2HB GLN 30 7.177 7.137 2.420 24 HG2 GLN 30 1HG GLN 30 5.933 9.552 3.718 25 HG3 GLN 30 2HG GLN 30 6.066 7.959 4.460 26 HE21 GLN 30 2HE2 GLN 30 7.805 10.787 3.395 27 HE22 GLN 30 1HE2 GLN 30 9.265 10.445 4.257 28 H LYS 31 H LYS 31 9.420 8.548 0.538 29 HA LYS 31 HA LYS 31 8.746 7.305 -2.005 30 HB2 LYS 31 1HB LYS 31 11.087 8.651 -0.851 31 HB3 LYS 31 2HB LYS 31 11.485 7.246 -1.827 32 HG2 LYS 31 1HG LYS 31 11.077 8.333 -3.720 33 HG3 LYS 31 2HG LYS 31 9.526 8.928 -3.128 34 HD2 LYS 31 1HD LYS 31 11.836 10.227 -1.892 35 HD3 LYS 31 2HD LYS 31 11.727 10.474 -3.635 36 HE2 LYS 31 1HE LYS 31 9.416 11.254 -3.369 37 HE3 LYS 31 2HE LYS 31 9.546 11.026 -1.625 38 HZ1 LYS 31 3HZ LYS 31 10.213 13.153 -1.552 39 HZ2 LYS 31 1HZ LYS 31 10.473 13.195 -3.247 40 HZ3 LYS 31 2HZ LYS 31 11.684 12.593 -2.237 41 H ALA 32 H ALA 32 8.698 5.172 -2.308 42 HA ALA 32 HA ALA 32 9.222 3.358 -0.175 43 HB1 ALA 32 3HB ALA 32 8.721 1.610 -1.876 44 HB2 ALA 32 1HB ALA 32 8.601 2.888 -3.085 45 HB3 ALA 32 2HB ALA 32 7.473 2.849 -1.728 46 H GLN 33 H GLN 33 10.771 1.646 -0.117 47 HA GLN 33 HA GLN 33 13.354 2.494 -1.092 48 HB2 GLN 33 1HB GLN 33 14.276 0.754 0.284 49 HB3 GLN 33 2HB GLN 33 13.043 1.599 1.204 50 HG2 GLN 33 1HG GLN 33 11.470 -0.273 0.496 51 HG3 GLN 33 2HG GLN 33 12.921 -1.138 -0.012 52 HE21 GLN 33 2HE2 GLN 33 14.280 -1.980 1.523 53 HE22 GLN 33 1HE2 GLN 33 13.899 -2.017 3.206 54 H GLN 34 H GLN 34 14.587 1.580 -2.637 55 HA GLN 34 HA GLN 34 13.270 -0.349 -4.392 56 HB2 GLN 34 1HB GLN 34 15.881 1.083 -4.893 57 HB3 GLN 34 2HB GLN 34 14.836 0.308 -6.074 58 HG2 GLN 34 1HG GLN 34 14.033 2.342 -6.469 59 HG3 GLN 34 2HG GLN 34 13.182 2.179 -4.935 60 HE21 GLN 34 2HE2 GLN 34 14.803 4.325 -6.595 61 HE22 GLN 34 1HE2 GLN 34 15.644 5.167 -5.344 62 H LYS 35 H LYS 35 13.642 -2.425 -4.030 63 HA LYS 35 HA LYS 35 16.130 -3.282 -2.768 64 HB2 LYS 35 1HB LYS 35 13.777 -5.007 -3.535 65 HB3 LYS 35 2HB LYS 35 15.046 -5.376 -2.377 66 HG2 LYS 35 1HG LYS 35 13.465 -2.955 -1.817 67 HG3 LYS 35 2HG LYS 35 12.606 -4.491 -1.694 68 HD2 LYS 35 1HD LYS 35 15.212 -4.625 -0.441 69 HD3 LYS 35 2HD LYS 35 14.232 -3.325 0.240 70 HE2 LYS 35 1HE LYS 35 13.397 -4.961 1.539 71 HE3 LYS 35 2HE LYS 35 12.409 -5.321 0.125 72 HZ1 LYS 35 3HZ LYS 35 15.049 -6.566 0.287 73 HZ2 LYS 35 1HZ LYS 35 13.605 -7.179 -0.367 74 HZ3 LYS 35 2HZ LYS 35 13.846 -7.157 1.316 75 H ASN 36 H ASN 36 15.897 -5.989 -3.952 76 HA ASN 36 HA ASN 36 17.533 -5.480 -6.281 77 HB2 ASN 36 1HB ASN 36 17.569 -7.412 -4.336 78 HB3 ASN 36 2HB ASN 36 16.860 -8.275 -5.697 79 HD21 ASN 36 2HD2 ASN 36 19.256 -9.071 -4.749 80 HD22 ASN 36 1HD2 ASN 36 20.508 -8.672 -5.868 81 H GLY 37 H GLY 37 15.776 -4.549 -7.585 82 HA2 GLY 37 1HA GLY 37 14.742 -5.006 -9.669 83 HA3 GLY 37 2HA GLY 37 14.505 -6.668 -9.161 84 H TYR 38 H TYR 38 13.493 -5.032 -6.560 85 HA TYR 38 HA TYR 38 10.849 -4.328 -7.585 86 HB2 TYR 38 1HB TYR 38 9.677 -5.738 -5.990 87 HB3 TYR 38 2HB TYR 38 10.725 -6.730 -6.993 88 HD1 TYR 38 HD2 TYR 38 12.907 -7.562 -6.014 89 HD2 TYR 38 HD1 TYR 38 9.886 -5.729 -3.642 90 HE1 TYR 38 HE2 TYR 38 13.906 -8.543 -3.994 91 HE2 TYR 38 HE1 TYR 38 10.878 -6.709 -1.616 92 HH TYR 38 HH TYR 38 12.606 -9.091 -1.378 93 H GLN 39 H GLN 39 9.499 -3.216 -5.943 94 HA GLN 39 HA GLN 39 11.228 -1.762 -4.041 95 HB2 GLN 39 1HB GLN 39 8.608 -0.600 -4.797 96 HB3 GLN 39 2HB GLN 39 10.136 0.195 -4.465 97 HG2 GLN 39 1HG GLN 39 10.462 -1.311 -6.836 98 HG3 GLN 39 2HG GLN 39 8.949 -0.415 -6.972 99 HE21 GLN 39 2HE2 GLN 39 9.547 1.862 -5.564 100 HE22 GLN 39 1HE2 GLN 39 10.794 2.735 -6.379 101 H GLU 40 H GLU 40 10.286 -1.063 -2.035 102 HA GLU 40 HA GLU 40 7.892 -2.485 -1.150 103 HB2 GLU 40 1HB GLU 40 9.960 -3.917 -0.749 104 HB3 GLU 40 2HB GLU 40 10.455 -2.708 0.426 105 HG2 GLU 40 1HG GLU 40 7.975 -3.190 1.312 106 HG3 GLU 40 2HG GLU 40 8.330 -4.748 0.570 107 H ILE 41 H ILE 41 6.832 -1.515 0.554 108 HA ILE 41 HA ILE 41 8.082 0.715 1.951 109 HB ILE 41 HB ILE 41 7.147 1.961 0.165 110 HG12 ILE 41 1HG1 ILE 41 4.802 2.602 1.625 111 HG13 ILE 41 2HG1 ILE 41 6.028 2.150 2.798 112 HG21 ILE 41 1HG2 ILE 41 5.313 -0.150 -0.026 113 HG22 ILE 41 2HG2 ILE 41 5.473 1.244 -1.094 114 HG23 ILE 41 3HG2 ILE 41 4.362 1.307 0.277 115 HD11 ILE 41 3HD1 ILE 41 6.138 4.502 2.485 116 HD12 ILE 41 1HD1 ILE 41 6.193 4.325 0.729 117 HD13 ILE 41 2HD1 ILE 41 7.560 3.796 1.714 118 H ARG 42 H ARG 42 7.526 0.727 4.042 119 HA ARG 42 HA ARG 42 5.427 -1.086 4.919 120 HB2 ARG 42 1HB ARG 42 7.913 -0.509 5.939 121 HB3 ARG 42 2HB ARG 42 6.847 0.406 6.999 122 HG2 ARG 42 1HG ARG 42 5.529 -1.691 7.344 123 HG3 ARG 42 2HG ARG 42 6.788 -2.553 6.456 124 HD2 ARG 42 1HD ARG 42 7.678 -2.843 8.502 125 HD3 ARG 42 2HD ARG 42 8.286 -1.206 8.255 126 HE ARG 42 HE ARG 42 6.178 -0.502 9.461 127 HH11 ARG 42 1HH1 ARG 42 7.707 -3.563 10.054 128 HH12 ARG 42 2HH1 ARG 42 7.121 -3.672 11.676 129 HH21 ARG 42 1HH2 ARG 42 5.411 -0.658 11.575 130 HH22 ARG 42 2HH2 ARG 42 5.834 -2.043 12.532 131 H VAL 43 H VAL 43 3.450 -0.333 4.998 132 HA VAL 43 HA VAL 43 2.978 2.488 5.672 133 HB VAL 43 HB VAL 43 1.083 0.446 4.485 134 HG11 VAL 43 1HG1 VAL 43 -0.567 1.876 4.878 135 HG12 VAL 43 2HG1 VAL 43 0.305 3.138 4.003 136 HG13 VAL 43 3HG1 VAL 43 0.559 2.930 5.737 137 HG21 VAL 43 3HG2 VAL 43 1.406 1.540 2.387 138 HG22 VAL 43 1HG2 VAL 43 2.996 1.129 3.030 139 HG23 VAL 43 2HG2 VAL 43 2.406 2.787 3.131 140 H GLU 44 H GLU 44 2.754 2.792 7.786 141 HA GLU 44 HA GLU 44 1.795 0.791 9.581 142 HB2 GLU 44 1HB GLU 44 3.370 2.907 9.944 143 HB3 GLU 44 2HB GLU 44 1.845 3.663 10.377 144 HG2 GLU 44 1HG GLU 44 2.115 2.859 12.414 145 HG3 GLU 44 2HG GLU 44 1.858 1.243 11.757 146 H VAL 45 H VAL 45 -0.224 0.314 10.106 147 HA VAL 45 HA VAL 45 -2.362 2.130 9.230 148 HB VAL 45 HB VAL 45 -2.341 -0.846 9.724 149 HG11 VAL 45 1HG1 VAL 45 -4.449 0.151 10.557 150 HG12 VAL 45 2HG1 VAL 45 -4.677 -0.929 9.181 151 HG13 VAL 45 3HG1 VAL 45 -4.723 0.819 8.947 152 HG21 VAL 45 3HG2 VAL 45 -1.635 0.543 7.507 153 HG22 VAL 45 1HG2 VAL 45 -3.350 0.268 7.205 154 HG23 VAL 45 2HG2 VAL 45 -2.275 -1.100 7.493 155 H MET 46 H MET 46 -2.604 3.496 10.919 156 HA MET 46 HA MET 46 -3.750 2.374 13.364 157 HB2 MET 46 1HB MET 46 -2.432 4.133 14.681 158 HB3 MET 46 2HB MET 46 -1.546 2.718 14.131 159 HG2 MET 46 1HG MET 46 -0.475 3.920 12.420 160 HG3 MET 46 2HG MET 46 -1.589 5.274 12.571 161 HE1 MET 46 3HE MET 46 2.186 4.213 14.178 162 HE2 MET 46 1HE MET 46 0.845 3.068 14.207 163 HE3 MET 46 2HE MET 46 1.339 3.888 15.690 164 H GLY 47 H GLY 47 -5.766 3.112 12.617 165 HA2 GLY 47 1HA GLY 47 -7.476 4.700 12.768 166 HA3 GLY 47 2HA GLY 47 -6.264 5.936 13.091 167 H GLY 48 H GLY 48 -4.824 4.705 10.670 168 HA2 GLY 48 1HA GLY 48 -6.314 5.106 8.333 169 HA3 GLY 48 2HA GLY 48 -5.536 6.625 8.753 170 H TYR 49 H TYR 49 -3.974 6.760 7.205 171 HA TYR 49 HA TYR 49 -2.020 4.549 7.111 172 HB2 TYR 49 1HB TYR 49 -2.703 6.452 4.858 173 HB3 TYR 49 2HB TYR 49 -1.584 5.098 4.776 174 HD1 TYR 49 HD2 TYR 49 -2.652 2.746 5.357 175 HD2 TYR 49 HD1 TYR 49 -4.862 6.158 4.104 176 HE1 TYR 49 HE2 TYR 49 -4.491 1.283 4.631 177 HE2 TYR 49 HE1 TYR 49 -6.706 4.706 3.376 178 HH TYR 49 HH TYR 49 -6.495 1.643 2.743 179 H THR 50 H THR 50 0.045 5.070 7.643 180 HA THR 50 HA THR 50 0.660 7.677 8.566 181 HB THR 50 HB THR 50 2.435 5.289 8.068 182 HG1 THR 50 HG1 THR 50 1.446 6.587 10.405 183 HG21 THR 50 3HG2 THR 50 4.262 6.439 9.104 184 HG22 THR 50 1HG2 THR 50 3.260 7.856 9.423 185 HG23 THR 50 2HG2 THR 50 3.697 7.439 7.764 186 HA PRO 51 HA PRO 51 3.180 8.443 4.600 187 HB2 PRO 51 1HB PRO 51 3.322 6.612 2.632 188 HB3 PRO 51 2HB PRO 51 4.422 6.577 4.015 189 HG2 PRO 51 1HG PRO 51 1.961 4.952 3.510 190 HG3 PRO 51 2HG PRO 51 3.527 4.438 4.163 191 HD2 PRO 51 1HD PRO 51 1.349 4.953 5.727 192 HD3 PRO 51 2HD PRO 51 3.025 5.151 6.276 193 H GLU 52 H GLU 52 1.435 9.851 4.272 194 HA GLU 52 HA GLU 52 -1.045 9.312 3.212 195 HB2 GLU 52 1HB GLU 52 -0.972 11.713 2.352 196 HB3 GLU 52 2HB GLU 52 -0.732 11.468 4.074 197 HG2 GLU 52 1HG GLU 52 1.801 11.400 2.772 198 HG3 GLU 52 2HG GLU 52 0.923 12.833 2.246 199 H LEU 53 H LEU 53 1.927 9.995 1.403 200 HA LEU 53 HA LEU 53 0.597 8.910 -0.981 201 HB2 LEU 53 1HB LEU 53 2.614 10.805 -1.740 202 HB3 LEU 53 2HB LEU 53 0.927 10.745 -2.188 203 HG LEU 53 HG LEU 53 1.642 11.894 0.465 204 HD11 LEU 53 1HD1 LEU 53 2.455 12.964 -2.147 205 HD12 LEU 53 2HD1 LEU 53 3.061 13.324 -0.531 206 HD13 LEU 53 3HD1 LEU 53 1.588 14.100 -1.113 207 HD21 LEU 53 3HD2 LEU 53 -0.723 11.499 -0.525 208 HD22 LEU 53 1HD2 LEU 53 -0.365 12.910 -1.518 209 HD23 LEU 53 2HD2 LEU 53 -0.366 13.049 0.240 210 H ILE 54 H ILE 54 1.624 7.136 -1.638 211 HA ILE 54 HA ILE 54 4.448 6.789 -0.910 212 HB ILE 54 HB ILE 54 4.043 4.411 -1.808 213 HG12 ILE 54 1HG1 ILE 54 1.165 5.242 -1.368 214 HG13 ILE 54 2HG1 ILE 54 1.899 4.940 -2.941 215 HG21 ILE 54 1HG2 ILE 54 3.721 5.595 0.694 216 HG22 ILE 54 2HG2 ILE 54 4.005 3.890 0.342 217 HG23 ILE 54 3HG2 ILE 54 2.356 4.491 0.521 218 HD11 ILE 54 3HD1 ILE 54 0.718 3.099 -1.115 219 HD12 ILE 54 1HD1 ILE 54 2.413 2.672 -1.356 220 HD13 ILE 54 2HD1 ILE 54 1.332 2.814 -2.744 221 H VAL 55 H VAL 55 6.015 7.046 -2.343 222 HA VAL 55 HA VAL 55 5.292 7.344 -5.166 223 HB VAL 55 HB VAL 55 7.845 8.063 -3.723 224 HG11 VAL 55 1HG1 VAL 55 8.829 8.591 -5.666 225 HG12 VAL 55 2HG1 VAL 55 7.343 9.253 -6.348 226 HG13 VAL 55 3HG1 VAL 55 7.631 7.513 -6.384 227 HG21 VAL 55 3HG2 VAL 55 7.130 10.369 -4.016 228 HG22 VAL 55 1HG2 VAL 55 5.924 9.456 -3.108 229 HG23 VAL 55 2HG2 VAL 55 5.654 9.824 -4.812 230 H LEU 56 H LEU 56 5.758 5.877 -6.648 231 HA LEU 56 HA LEU 56 7.883 3.906 -6.125 232 HB2 LEU 56 1HB LEU 56 5.118 3.281 -7.165 233 HB3 LEU 56 2HB LEU 56 6.441 2.136 -7.077 234 HG LEU 56 HG LEU 56 5.675 3.478 -4.545 235 HD11 LEU 56 1HD1 LEU 56 3.528 2.865 -5.754 236 HD12 LEU 56 2HD1 LEU 56 3.762 2.170 -4.150 237 HD13 LEU 56 3HD1 LEU 56 4.037 1.186 -5.587 238 HD21 LEU 56 3HD2 LEU 56 6.525 1.592 -3.573 239 HD22 LEU 56 1HD2 LEU 56 7.461 1.617 -5.067 240 HD23 LEU 56 2HD2 LEU 56 6.061 0.554 -4.921 241 H LYS 57 H LYS 57 8.375 2.611 -8.181 242 HA LYS 57 HA LYS 57 8.634 4.512 -10.384 243 HB2 LYS 57 1HB LYS 57 10.215 2.323 -9.343 244 HB3 LYS 57 2HB LYS 57 9.940 2.125 -11.069 245 HG2 LYS 57 1HG LYS 57 10.666 4.846 -10.454 246 HG3 LYS 57 2HG LYS 57 11.866 3.711 -9.834 247 HD2 LYS 57 1HD LYS 57 10.866 3.250 -12.586 248 HD3 LYS 57 2HD LYS 57 11.917 4.645 -12.335 249 HE2 LYS 57 1HE LYS 57 13.677 3.286 -11.521 250 HE3 LYS 57 2HE LYS 57 12.620 1.883 -11.370 251 HZ1 LYS 57 3HZ LYS 57 14.055 1.729 -13.313 252 HZ2 LYS 57 1HZ LYS 57 13.412 3.169 -13.928 253 HZ3 LYS 57 2HZ LYS 57 12.427 1.802 -13.770 254 H LYS 58 H LYS 58 8.577 3.369 -12.659 255 HA LYS 58 HA LYS 58 5.983 1.994 -12.792 256 HB2 LYS 58 1HB LYS 58 6.282 4.199 -13.971 257 HB3 LYS 58 2HB LYS 58 7.420 3.396 -15.045 258 HG2 LYS 58 1HG LYS 58 5.642 1.843 -15.735 259 HG3 LYS 58 2HG LYS 58 4.508 2.711 -14.702 260 HD2 LYS 58 1HD LYS 58 4.093 3.718 -16.720 261 HD3 LYS 58 2HD LYS 58 5.344 4.789 -16.081 262 HE2 LYS 58 1HE LYS 58 6.701 2.717 -17.395 263 HE3 LYS 58 2HE LYS 58 5.367 3.166 -18.456 264 HZ1 LYS 58 3HZ LYS 58 7.175 5.196 -17.261 265 HZ2 LYS 58 1HZ LYS 58 6.130 5.359 -18.590 266 HZ3 LYS 58 2HZ LYS 58 7.529 4.423 -18.731 267 H SER 59 H SER 59 5.657 0.183 -14.040 268 HA SER 59 HA SER 59 6.089 -1.813 -15.023 269 HB2 SER 59 1HB SER 59 7.100 -0.470 -16.824 270 HB3 SER 59 2HB SER 59 8.648 -0.508 -15.982 271 HG SER 59 HG SER 59 8.426 -2.878 -16.131 272 H VAL 60 H VAL 60 7.185 -1.060 -12.309 273 HA VAL 60 HA VAL 60 9.088 -3.298 -12.074 274 HB VAL 60 HB VAL 60 10.088 -0.990 -11.716 275 HG11 VAL 60 1HG1 VAL 60 8.349 0.129 -10.544 276 HG12 VAL 60 2HG1 VAL 60 9.718 -0.021 -9.441 277 HG13 VAL 60 3HG1 VAL 60 8.330 -1.100 -9.280 278 HG21 VAL 60 3HG2 VAL 60 11.353 -1.665 -9.693 279 HG22 VAL 60 1HG2 VAL 60 11.247 -2.933 -10.915 280 HG23 VAL 60 2HG2 VAL 60 10.224 -3.003 -9.480 281 HA PRO 61 HA PRO 61 6.034 -5.036 -9.329 282 HB2 PRO 61 1HB PRO 61 7.697 -6.765 -7.982 283 HB3 PRO 61 2HB PRO 61 6.993 -7.099 -9.567 284 HG2 PRO 61 1HG PRO 61 9.728 -6.114 -8.876 285 HG3 PRO 61 2HG PRO 61 9.236 -7.289 -10.110 286 HD2 PRO 61 1HD PRO 61 9.866 -4.738 -10.723 287 HD3 PRO 61 2HD PRO 61 8.623 -5.643 -11.611 288 H ALA 62 H ALA 62 5.270 -3.995 -7.596 289 HA ALA 62 HA ALA 62 7.188 -3.211 -5.492 290 HB1 ALA 62 3HB ALA 62 6.670 -1.128 -6.184 291 HB2 ALA 62 1HB ALA 62 5.259 -1.378 -5.157 292 HB3 ALA 62 2HB ALA 62 5.137 -1.627 -6.899 293 H ARG 63 H ARG 63 6.631 -3.612 -3.391 294 HA ARG 63 HA ARG 63 3.986 -4.822 -2.969 295 HB2 ARG 63 1HB ARG 63 4.898 -6.448 -1.491 296 HB3 ARG 63 2HB ARG 63 5.858 -6.472 -2.959 297 HG2 ARG 63 1HG ARG 63 7.358 -4.801 -1.549 298 HG3 ARG 63 2HG ARG 63 6.603 -5.677 -0.216 299 HD2 ARG 63 1HD ARG 63 7.311 -7.667 -1.997 300 HD3 ARG 63 2HD ARG 63 8.659 -6.537 -2.080 301 HE ARG 63 HE ARG 63 8.800 -6.779 0.384 302 HH11 ARG 63 1HH1 ARG 63 7.268 -9.283 -1.485 303 HH12 ARG 63 2HH1 ARG 63 7.595 -10.509 -0.315 304 HH21 ARG 63 1HH2 ARG 63 9.215 -8.396 1.894 305 HH22 ARG 63 2HH2 ARG 63 8.686 -10.013 1.584 306 H ILE 64 H ILE 64 2.757 -3.954 -1.505 307 HA ILE 64 HA ILE 64 3.874 -1.877 0.243 308 HB ILE 64 HB ILE 64 0.939 -2.415 -0.066 309 HG12 ILE 64 1HG1 ILE 64 2.014 -2.242 -2.347 310 HG13 ILE 64 2HG1 ILE 64 0.786 -1.030 -2.006 311 HG21 ILE 64 1HG2 ILE 64 1.872 -0.833 1.652 312 HG22 ILE 64 2HG2 ILE 64 0.674 -0.149 0.553 313 HG23 ILE 64 3HG2 ILE 64 2.386 0.191 0.311 314 HD11 ILE 64 3HD1 ILE 64 3.368 -0.046 -1.234 315 HD12 ILE 64 1HD1 ILE 64 2.224 0.601 -2.412 316 HD13 ILE 64 2HD1 ILE 64 3.402 -0.617 -2.903 317 H VAL 65 H VAL 65 4.357 -2.437 2.271 318 HA VAL 65 HA VAL 65 3.101 -4.792 3.462 319 HB VAL 65 HB VAL 65 5.217 -3.116 4.791 320 HG11 VAL 65 1HG1 VAL 65 5.820 -5.285 5.805 321 HG12 VAL 65 2HG1 VAL 65 4.475 -6.037 4.946 322 HG13 VAL 65 3HG1 VAL 65 4.164 -4.802 6.166 323 HG21 VAL 65 3HG2 VAL 65 5.618 -4.117 2.293 324 HG22 VAL 65 1HG2 VAL 65 6.154 -5.463 3.298 325 HG23 VAL 65 2HG2 VAL 65 6.888 -3.871 3.492 326 H PHE 66 H PHE 66 1.221 -4.467 4.475 327 HA PHE 66 HA PHE 66 0.737 -1.915 5.824 328 HB2 PHE 66 1HB PHE 66 -1.074 -4.201 5.053 329 HB3 PHE 66 2HB PHE 66 -1.620 -2.852 6.047 330 HD1 PHE 66 HD2 PHE 66 -1.215 -0.482 5.050 331 HD2 PHE 66 HD1 PHE 66 -1.251 -4.067 2.758 332 HE1 PHE 66 HE2 PHE 66 -1.665 0.826 3.016 333 HE2 PHE 66 HE1 PHE 66 -1.701 -2.766 0.720 334 HZ PHE 66 HZ PHE 66 -1.907 -0.314 0.849 335 H ASP 67 H ASP 67 1.255 -1.737 7.877 336 HA ASP 67 HA ASP 67 1.273 -4.118 9.600 337 HB2 ASP 67 1HB ASP 67 3.341 -2.800 9.539 338 HB3 ASP 67 2HB ASP 67 2.454 -1.358 10.018 339 H ARG 68 H ARG 68 -0.717 -4.442 10.466 340 HA ARG 68 HA ARG 68 -2.464 -2.247 11.088 341 HB2 ARG 68 1HB ARG 68 -3.261 -4.481 10.288 342 HB3 ARG 68 2HB ARG 68 -2.816 -5.140 11.857 343 HG2 ARG 68 1HG ARG 68 -4.836 -4.591 12.586 344 HG3 ARG 68 2HG ARG 68 -4.383 -2.897 12.417 345 HD2 ARG 68 1HD ARG 68 -6.210 -2.880 11.076 346 HD3 ARG 68 2HD ARG 68 -5.026 -3.408 9.880 347 HE ARG 68 HE ARG 68 -5.910 -5.569 9.984 348 HH11 ARG 68 1HH1 ARG 68 -7.558 -3.418 12.154 349 HH12 ARG 68 2HH1 ARG 68 -8.904 -4.484 12.372 350 HH21 ARG 68 1HH2 ARG 68 -7.651 -6.946 10.271 351 HH22 ARG 68 2HH2 ARG 68 -8.964 -6.469 11.310 352 H LYS 69 H LYS 69 -1.990 -0.983 12.725 353 HA LYS 69 HA LYS 69 -1.042 -2.147 15.249 354 HB2 LYS 69 1HB LYS 69 0.212 -0.250 14.162 355 HB3 LYS 69 2HB LYS 69 -1.184 0.769 14.467 356 HG2 LYS 69 1HG LYS 69 -0.379 -0.569 16.879 357 HG3 LYS 69 2HG LYS 69 0.982 0.293 16.159 358 HD2 LYS 69 1HD LYS 69 -0.437 2.323 16.027 359 HD3 LYS 69 2HD LYS 69 -1.718 1.443 16.863 360 HE2 LYS 69 1HE LYS 69 0.451 1.033 18.490 361 HE3 LYS 69 2HE LYS 69 0.715 2.679 17.913 362 HZ1 LYS 69 3HZ LYS 69 -1.363 3.358 18.764 363 HZ2 LYS 69 1HZ LYS 69 -0.632 2.458 19.997 364 HZ3 LYS 69 2HZ LYS 69 -1.863 1.770 19.062 365 H ASP 70 H ASP 70 -3.651 -0.297 13.818 366 HA ASP 70 HA ASP 70 -5.073 -0.315 16.398 367 HB2 ASP 70 1HB ASP 70 -4.569 1.867 14.994 368 HB3 ASP 70 2HB ASP 70 -5.982 1.347 14.081 369 HA PRO 71 HA PRO 71 -7.821 -3.278 14.492 370 HB2 PRO 71 1HB PRO 71 -9.515 -3.611 16.522 371 HB3 PRO 71 2HB PRO 71 -7.832 -4.139 16.651 372 HG2 PRO 71 1HG PRO 71 -9.119 -1.645 17.703 373 HG3 PRO 71 2HG PRO 71 -7.988 -2.743 18.517 374 HD2 PRO 71 1HD PRO 71 -7.244 -0.386 17.319 375 HD3 PRO 71 2HD PRO 71 -6.157 -1.773 17.537 376 H SER 72 H SER 72 -8.239 -0.520 13.733 377 HA SER 72 HA SER 72 -10.918 0.293 14.163 378 HB2 SER 72 1HB SER 72 -9.513 1.103 11.659 379 HB3 SER 72 2HB SER 72 -10.424 2.086 12.803 380 HG SER 72 HG SER 72 -8.625 1.800 14.272 381 HA PRO 73 HA PRO 73 -13.133 -2.488 11.507 382 HB2 PRO 73 1HB PRO 73 -15.317 -0.916 11.007 383 HB3 PRO 73 2HB PRO 73 -15.075 -1.815 12.508 384 HG2 PRO 73 1HG PRO 73 -14.521 1.069 11.915 385 HG3 PRO 73 2HG PRO 73 -15.291 0.352 13.345 386 HD2 PRO 73 1HD PRO 73 -12.725 1.123 13.388 387 HD3 PRO 73 2HD PRO 73 -13.259 -0.339 14.244 388 H CYS 74 H CYS 74 -12.699 0.879 10.496 389 HA CYS 74 HA CYS 74 -13.268 0.343 7.735 390 HB2 CYS 74 1HB CYS 74 -12.109 2.711 7.552 391 HB3 CYS 74 2HB CYS 74 -13.732 2.546 8.213 392 HG CYS 74 HG CYS 74 -11.943 2.185 10.802 393 H LEU 75 H LEU 75 -10.639 -0.353 9.652 394 HA LEU 75 HA LEU 75 -8.774 -0.238 7.373 395 HB2 LEU 75 1HB LEU 75 -8.312 -0.079 10.337 396 HB3 LEU 75 2HB LEU 75 -7.016 -0.463 9.225 397 HG LEU 75 HG LEU 75 -8.650 2.062 9.023 398 HD11 LEU 75 1HD1 LEU 75 -6.812 3.197 10.128 399 HD12 LEU 75 2HD1 LEU 75 -5.983 1.657 10.365 400 HD13 LEU 75 3HD1 LEU 75 -7.509 1.973 11.188 401 HD21 LEU 75 3HD2 LEU 75 -6.510 0.841 7.474 402 HD22 LEU 75 1HD2 LEU 75 -6.136 2.486 7.988 403 HD23 LEU 75 2HD2 LEU 75 -7.599 2.164 7.055 404 H ASP 76 H ASP 76 -10.773 -2.351 8.699 405 HA ASP 76 HA ASP 76 -9.179 -4.586 9.375 406 HB2 ASP 76 1HB ASP 76 -11.730 -4.102 9.752 407 HB3 ASP 76 2HB ASP 76 -11.915 -4.895 8.191 408 H GLN 77 H GLN 77 -10.561 -3.484 6.325 409 HA GLN 77 HA GLN 77 -8.985 -5.551 4.937 410 HB2 GLN 77 1HB GLN 77 -11.585 -4.420 3.900 411 HB3 GLN 77 2HB GLN 77 -10.687 -5.799 3.280 412 HG2 GLN 77 1HG GLN 77 -11.178 -7.018 5.362 413 HG3 GLN 77 2HG GLN 77 -12.141 -5.648 5.910 414 HE21 GLN 77 2HE2 GLN 77 -13.545 -4.940 3.727 415 HE22 GLN 77 1HE2 GLN 77 -14.570 -6.230 3.218 416 H ILE 78 H ILE 78 -8.273 -4.956 2.770 417 HA ILE 78 HA ILE 78 -8.222 -2.055 2.298 418 HB ILE 78 HB ILE 78 -6.088 -2.599 3.347 419 HG12 ILE 78 1HG1 ILE 78 -4.854 -2.192 0.830 420 HG13 ILE 78 2HG1 ILE 78 -6.438 -1.426 0.755 421 HG21 ILE 78 1HG2 ILE 78 -5.739 -4.879 2.895 422 HG22 ILE 78 2HG2 ILE 78 -4.459 -4.029 2.032 423 HG23 ILE 78 3HG2 ILE 78 -5.862 -4.636 1.152 424 HD11 ILE 78 3HD1 ILE 78 -4.385 -0.931 2.895 425 HD12 ILE 78 1HD1 ILE 78 -5.936 -0.113 2.712 426 HD13 ILE 78 2HD1 ILE 78 -4.677 0.104 1.498 427 H VAL 79 H VAL 79 -8.734 -1.505 0.291 428 HA VAL 79 HA VAL 79 -8.357 -3.482 -1.840 429 HB VAL 79 HB VAL 79 -10.632 -3.777 -1.524 430 HG11 VAL 79 1HG1 VAL 79 -12.237 -1.965 -1.082 431 HG12 VAL 79 2HG1 VAL 79 -10.897 -0.818 -1.040 432 HG13 VAL 79 3HG1 VAL 79 -10.997 -2.104 0.163 433 HG21 VAL 79 3HG2 VAL 79 -10.277 -3.282 -3.846 434 HG22 VAL 79 1HG2 VAL 79 -10.389 -1.548 -3.542 435 HG23 VAL 79 2HG2 VAL 79 -11.813 -2.572 -3.352 436 H PHE 80 H PHE 80 -7.424 -2.733 -3.586 437 HA PHE 80 HA PHE 80 -6.886 0.129 -3.809 438 HB2 PHE 80 1HB PHE 80 -5.712 -2.369 -4.965 439 HB3 PHE 80 2HB PHE 80 -5.494 -0.862 -5.840 440 HD1 PHE 80 HD1 PHE 80 -4.981 -2.423 -2.510 441 HD2 PHE 80 HD2 PHE 80 -3.777 0.589 -5.265 442 HE1 PHE 80 HE1 PHE 80 -3.066 -1.875 -1.065 443 HE2 PHE 80 HE2 PHE 80 -1.857 1.146 -3.822 444 HZ PHE 80 HZ PHE 80 -1.501 -0.088 -1.721 445 HA PRO 81 HA PRO 81 -10.468 0.035 -6.633 446 HB2 PRO 81 1HB PRO 81 -10.684 2.742 -6.853 447 HB3 PRO 81 2HB PRO 81 -11.362 1.810 -5.516 448 HG2 PRO 81 1HG PRO 81 -8.821 3.378 -5.636 449 HG3 PRO 81 2HG PRO 81 -10.010 3.272 -4.327 450 HD2 PRO 81 1HD PRO 81 -7.680 1.903 -4.295 451 HD3 PRO 81 2HD PRO 81 -9.165 1.271 -3.557 452 H ASP 82 H ASP 82 -7.324 1.385 -7.114 453 HA ASP 82 HA ASP 82 -7.893 1.884 -9.944 454 HB2 ASP 82 1HB ASP 82 -5.523 2.631 -8.226 455 HB3 ASP 82 2HB ASP 82 -5.629 2.945 -9.957 456 H PHE 83 H PHE 83 -6.744 -0.610 -8.022 457 HA PHE 83 HA PHE 83 -5.214 -1.726 -10.286 458 HB2 PHE 83 1HB PHE 83 -4.727 -1.922 -7.329 459 HB3 PHE 83 2HB PHE 83 -4.098 -3.149 -8.421 460 HD1 PHE 83 HD1 PHE 83 -3.882 0.350 -7.378 461 HD2 PHE 83 HD2 PHE 83 -2.311 -2.647 -9.959 462 HE1 PHE 83 HE1 PHE 83 -1.949 1.786 -7.861 463 HE2 PHE 83 HE2 PHE 83 -0.372 -1.212 -10.447 464 HZ PHE 83 HZ PHE 83 -0.193 1.009 -9.397 465 H GLY 84 H GLY 84 -7.800 -2.207 -8.037 466 HA2 GLY 84 1HA GLY 84 -9.521 -3.770 -8.177 467 HA3 GLY 84 2HA GLY 84 -8.640 -4.587 -9.460 468 H VAL 85 H VAL 85 -7.078 -3.832 -6.468 469 HA VAL 85 HA VAL 85 -6.934 -6.702 -5.844 470 HB VAL 85 HB VAL 85 -5.081 -4.413 -5.196 471 HG11 VAL 85 1HG1 VAL 85 -3.855 -6.788 -4.397 472 HG12 VAL 85 2HG1 VAL 85 -5.482 -6.851 -3.719 473 HG13 VAL 85 3HG1 VAL 85 -4.430 -5.480 -3.364 474 HG21 VAL 85 3HG2 VAL 85 -3.449 -5.794 -6.439 475 HG22 VAL 85 1HG2 VAL 85 -4.823 -5.288 -7.423 476 HG23 VAL 85 2HG2 VAL 85 -4.741 -6.937 -6.805 477 H HIS 86 H HIS 86 -8.158 -7.378 -4.206 478 HA HIS 86 HA HIS 86 -8.647 -5.540 -1.947 479 HB2 HIS 86 1HB HIS 86 -10.781 -7.024 -1.643 480 HB3 HIS 86 2HB HIS 86 -10.783 -5.728 -2.831 481 HD1 HIS 86 HD1 HIS 86 -9.696 -9.388 -3.006 482 HD2 HIS 86 HD2 HIS 86 -12.071 -6.628 -5.020 483 HE1 HIS 86 HE1 HIS 86 -10.650 -10.628 -4.979 484 H ALA 87 H ALA 87 -7.717 -6.197 -0.120 485 HA ALA 87 HA ALA 87 -7.529 -9.088 0.417 486 HB1 ALA 87 3HB ALA 87 -5.342 -7.360 -0.163 487 HB2 ALA 87 1HB ALA 87 -5.318 -9.077 0.235 488 HB3 ALA 87 2HB ALA 87 -5.224 -7.873 1.520 489 H ASN 88 H ASN 88 -6.938 -9.534 2.732 490 HA ASN 88 HA ASN 88 -8.307 -7.610 4.492 491 HB2 ASN 88 1HB ASN 88 -8.041 -10.612 4.612 492 HB3 ASN 88 2HB ASN 88 -8.549 -9.666 6.009 493 HD21 ASN 88 2HD2 ASN 88 -10.638 -9.297 6.221 494 HD22 ASN 88 1HD2 ASN 88 -11.824 -9.437 4.972 495 H LEU 89 H LEU 89 -7.312 -6.880 6.343 496 HA LEU 89 HA LEU 89 -4.470 -7.572 6.592 497 HB2 LEU 89 1HB LEU 89 -5.930 -5.235 7.818 498 HB3 LEU 89 2HB LEU 89 -4.196 -5.496 7.798 499 HG LEU 89 HG LEU 89 -5.884 -5.017 5.340 500 HD11 LEU 89 1HD1 LEU 89 -5.909 -2.974 6.449 501 HD12 LEU 89 2HD1 LEU 89 -4.526 -2.837 5.365 502 HD13 LEU 89 3HD1 LEU 89 -4.274 -3.184 7.074 503 HD21 LEU 89 3HD2 LEU 89 -4.024 -6.218 4.625 504 HD22 LEU 89 1HD2 LEU 89 -2.957 -5.453 5.803 505 HD23 LEU 89 2HD2 LEU 89 -3.535 -4.536 4.412 506 HA PRO 90 HA PRO 90 -5.506 -9.667 10.388 507 HB2 PRO 90 1HB PRO 90 -3.042 -10.596 10.945 508 HB3 PRO 90 2HB PRO 90 -4.028 -11.271 9.644 509 HG2 PRO 90 1HG PRO 90 -1.712 -9.402 9.495 510 HG3 PRO 90 2HG PRO 90 -2.185 -10.698 8.385 511 HD2 PRO 90 1HD PRO 90 -2.671 -7.981 8.015 512 HD3 PRO 90 2HD PRO 90 -3.496 -9.303 7.169 513 H MET 91 H MET 91 -5.768 -8.802 12.352 514 HA MET 91 HA MET 91 -4.484 -6.417 13.151 515 HB2 MET 91 1HB MET 91 -6.730 -6.948 13.898 516 HB3 MET 91 2HB MET 91 -6.145 -8.374 14.743 517 HG2 MET 91 1HG MET 91 -6.605 -6.509 16.256 518 HG3 MET 91 2HG MET 91 -4.917 -7.005 16.295 519 HE1 MET 91 3HE MET 91 -4.965 -4.524 17.686 520 HE2 MET 91 1HE MET 91 -3.939 -3.412 16.780 521 HE3 MET 91 2HE MET 91 -3.464 -5.101 16.964 522 H GLY 92 H GLY 92 -2.609 -6.084 14.117 523 HA2 GLY 92 1HA GLY 92 -0.848 -6.410 15.605 524 HA3 GLY 92 2HA GLY 92 -1.509 -7.987 16.002 525 H GLU 93 H GLU 93 -1.277 -7.576 12.663 526 HA GLU 93 HA GLU 93 1.429 -8.706 12.553 527 HB2 GLU 93 1HB GLU 93 -1.012 -9.899 11.228 528 HB3 GLU 93 2HB GLU 93 0.641 -10.395 10.894 529 HG2 GLU 93 1HG GLU 93 -0.429 -10.468 13.682 530 HG3 GLU 93 2HG GLU 93 -0.801 -11.763 12.545 531 H GLU 94 H GLU 94 2.015 -9.001 10.076 532 HA GLU 94 HA GLU 94 1.283 -6.474 8.749 533 HB2 GLU 94 1HB GLU 94 3.856 -8.022 8.805 534 HB3 GLU 94 2HB GLU 94 3.527 -6.851 7.539 535 HG2 GLU 94 1HG GLU 94 3.587 -5.058 8.995 536 HG3 GLU 94 2HG GLU 94 3.273 -6.065 10.407 537 H TYR 95 H TYR 95 0.558 -6.479 6.710 538 HA TYR 95 HA TYR 95 0.536 -9.040 5.240 539 HB2 TYR 95 1HB TYR 95 -1.709 -8.147 6.245 540 HB3 TYR 95 2HB TYR 95 -1.657 -7.013 4.901 541 HD1 TYR 95 HD1 TYR 95 -1.827 -10.593 5.795 542 HD2 TYR 95 HD2 TYR 95 -2.182 -7.711 2.685 543 HE1 TYR 95 HE1 TYR 95 -2.812 -12.304 4.329 544 HE2 TYR 95 HE2 TYR 95 -3.167 -9.414 1.212 545 HH TYR 95 HH TYR 95 -3.049 -12.026 1.080 546 H VAL 96 H VAL 96 1.452 -8.945 3.266 547 HA VAL 96 HA VAL 96 2.069 -6.277 2.221 548 HB VAL 96 HB VAL 96 3.893 -8.043 2.724 549 HG11 VAL 96 1HG1 VAL 96 3.855 -8.980 -0.013 550 HG12 VAL 96 2HG1 VAL 96 2.449 -9.541 0.893 551 HG13 VAL 96 3HG1 VAL 96 4.075 -9.883 1.488 552 HG21 VAL 96 3HG2 VAL 96 3.694 -6.339 0.271 553 HG22 VAL 96 1HG2 VAL 96 5.155 -7.262 0.626 554 HG23 VAL 96 2HG2 VAL 96 4.583 -6.044 1.765 555 H VAL 97 H VAL 97 1.490 -5.583 0.264 556 HA VAL 97 HA VAL 97 -0.163 -7.374 -1.403 557 HB VAL 97 HB VAL 97 -0.353 -4.379 -1.020 558 HG11 VAL 97 1HG1 VAL 97 -0.664 -5.100 -3.410 559 HG12 VAL 97 2HG1 VAL 97 -2.054 -4.293 -2.685 560 HG13 VAL 97 3HG1 VAL 97 -2.051 -6.047 -2.870 561 HG21 VAL 97 3HG2 VAL 97 -2.100 -6.707 -0.297 562 HG22 VAL 97 1HG2 VAL 97 -2.750 -5.073 -0.434 563 HG23 VAL 97 2HG2 VAL 97 -1.482 -5.422 0.740 564 H GLU 98 H GLU 98 0.933 -8.021 -3.136 565 HA GLU 98 HA GLU 98 3.046 -6.330 -4.233 566 HB2 GLU 98 1HB GLU 98 2.402 -9.219 -4.320 567 HB3 GLU 98 2HB GLU 98 3.170 -8.551 -5.755 568 HG2 GLU 98 1HG GLU 98 5.119 -8.048 -4.649 569 HG3 GLU 98 2HG GLU 98 4.326 -7.954 -3.077 570 H ILE 99 H ILE 99 2.669 -5.015 -5.862 571 HA ILE 99 HA ILE 99 0.733 -5.798 -7.939 572 HB ILE 99 HB ILE 99 0.328 -3.153 -7.993 573 HG12 ILE 99 1HG1 ILE 99 0.586 -3.739 -5.036 574 HG13 ILE 99 2HG1 ILE 99 1.796 -2.855 -5.962 575 HG21 ILE 99 1HG2 ILE 99 -1.437 -4.773 -7.964 576 HG22 ILE 99 2HG2 ILE 99 -1.759 -3.577 -6.707 577 HG23 ILE 99 3HG2 ILE 99 -1.115 -5.162 -6.273 578 HD11 ILE 99 3HD1 ILE 99 -0.669 -1.620 -6.491 579 HD12 ILE 99 1HD1 ILE 99 0.683 -0.995 -5.546 580 HD13 ILE 99 2HD1 ILE 99 -0.604 -1.903 -4.752 581 H THR 100 H THR 100 1.054 -4.745 -9.993 582 HA THR 100 HA THR 100 3.805 -3.738 -10.340 583 HB THR 100 HB THR 100 2.297 -5.197 -12.498 584 HG1 THR 100 HG1 THR 100 3.272 -7.097 -11.802 585 HG21 THR 100 3HG2 THR 100 4.413 -5.459 -13.521 586 HG22 THR 100 1HG2 THR 100 5.268 -4.998 -12.049 587 HG23 THR 100 2HG2 THR 100 4.369 -3.787 -12.963 588 HA PRO 101 HA PRO 101 1.238 -0.267 -11.818 589 HB2 PRO 101 1HB PRO 101 3.131 1.627 -11.439 590 HB3 PRO 101 2HB PRO 101 2.135 1.002 -10.118 591 HG2 PRO 101 1HG PRO 101 4.930 0.254 -10.899 592 HG3 PRO 101 2HG PRO 101 4.271 0.571 -9.284 593 HD2 PRO 101 1HD PRO 101 4.639 -1.931 -10.239 594 HD3 PRO 101 2HD PRO 101 3.321 -1.524 -9.122 595 H GLU 102 H GLU 102 1.149 -0.814 -13.998 596 HA GLU 102 HA GLU 102 3.539 -0.365 -15.631 597 HB2 GLU 102 1HB GLU 102 0.875 -1.616 -16.306 598 HB3 GLU 102 2HB GLU 102 2.192 -1.413 -17.451 599 HG2 GLU 102 1HG GLU 102 3.202 -3.254 -16.736 600 HG3 GLU 102 2HG GLU 102 3.098 -2.736 -15.055 601 H GLN 103 H GLN 103 1.809 1.780 -14.425 602 HA GLN 103 HA GLN 103 1.635 3.423 -16.809 603 HB2 GLN 103 1HB GLN 103 -0.692 2.259 -15.659 604 HB3 GLN 103 2HB GLN 103 -0.723 3.977 -15.286 605 HG2 GLN 103 1HG GLN 103 -1.489 4.377 -17.317 606 HG3 GLN 103 2HG GLN 103 0.019 3.758 -17.989 607 HE21 GLN 103 2HE2 GLN 103 0.107 1.316 -18.135 608 HE22 GLN 103 1HE2 GLN 103 -1.331 0.533 -18.696 609 H ALA 104 H ALA 104 2.303 5.453 -16.396 610 HA ALA 104 HA ALA 104 2.998 6.123 -13.654 611 HB1 ALA 104 3HB ALA 104 4.734 7.097 -14.623 612 HB2 ALA 104 1HB ALA 104 3.654 8.240 -15.420 613 HB3 ALA 104 2HB ALA 104 4.071 6.722 -16.214 614 H GLY 105 H GLY 105 1.887 7.448 -12.388 615 HA2 GLY 105 1HA GLY 105 0.641 9.804 -12.981 616 HA3 GLY 105 2HA GLY 105 -0.585 8.590 -13.311 617 H GLU 106 H GLU 106 -1.845 9.561 -11.636 618 HA GLU 106 HA GLU 106 -0.859 9.132 -8.909 619 HB2 GLU 106 1HB GLU 106 -2.548 11.124 -10.157 620 HB3 GLU 106 2HB GLU 106 -3.351 10.397 -8.771 621 HG2 GLU 106 1HG GLU 106 -1.530 10.999 -7.331 622 HG3 GLU 106 2HG GLU 106 -0.581 11.573 -8.701 623 H PHE 107 H PHE 107 -1.573 7.533 -7.710 624 HA PHE 107 HA PHE 107 -4.062 6.145 -8.488 625 HB2 PHE 107 1HB PHE 107 -1.472 5.020 -7.407 626 HB3 PHE 107 2HB PHE 107 -2.967 4.094 -7.458 627 HD1 PHE 107 HD1 PHE 107 -0.336 5.676 -9.472 628 HD2 PHE 107 HD2 PHE 107 -3.800 3.215 -9.513 629 HE1 PHE 107 HE1 PHE 107 0.160 5.023 -11.792 630 HE2 PHE 107 HE2 PHE 107 -3.313 2.555 -11.831 631 HZ PHE 107 HZ PHE 107 -1.329 3.460 -12.975 632 H SER 108 H SER 108 -4.920 4.806 -6.485 633 HA SER 108 HA SER 108 -4.397 6.102 -3.945 634 HB2 SER 108 1HB SER 108 -6.660 6.895 -3.588 635 HB3 SER 108 2HB SER 108 -6.029 7.606 -5.073 636 HG SER 108 HG SER 108 -7.131 5.702 -6.114 637 H PHE 109 H PHE 109 -5.522 5.144 -2.148 638 HA PHE 109 HA PHE 109 -6.941 2.649 -2.583 639 HB2 PHE 109 1HB PHE 109 -5.437 1.374 -1.042 640 HB3 PHE 109 2HB PHE 109 -4.702 1.789 -2.583 641 HD1 PHE 109 HD2 PHE 109 -2.999 3.599 -2.682 642 HD2 PHE 109 HD1 PHE 109 -4.537 2.139 1.008 643 HE1 PHE 109 HE2 PHE 109 -1.082 4.584 -1.498 644 HE2 PHE 109 HE1 PHE 109 -2.619 3.116 2.199 645 HZ PHE 109 HZ PHE 109 -0.888 4.341 0.945 646 H ALA 110 H ALA 110 -8.482 2.331 -1.093 647 HA ALA 110 HA ALA 110 -8.256 3.251 1.616 648 HB1 ALA 110 3HB ALA 110 -8.796 5.381 0.642 649 HB2 ALA 110 1HB ALA 110 -10.205 4.790 1.522 650 HB3 ALA 110 2HB ALA 110 -10.156 4.683 -0.239 651 H CYS 111 H CYS 111 -10.369 2.881 2.829 652 HA CYS 111 HA CYS 111 -12.137 0.934 1.566 653 HB2 CYS 111 1HB CYS 111 -10.145 -0.234 2.720 654 HB3 CYS 111 2HB CYS 111 -10.918 0.245 4.227 655 HG CYS 111 HG CYS 111 -11.382 -2.516 3.307 656 H GLY 112 H GLY 112 -14.188 1.257 2.141 657 HA2 GLY 112 1HA GLY 112 -16.033 1.867 3.383 658 HA3 GLY 112 2HA GLY 112 -14.982 2.012 4.781 659 H MET 113 H MET 113 -16.081 3.891 5.447 660 HA MET 113 HA MET 113 -15.250 6.295 3.983 661 HB2 MET 113 1HB MET 113 -17.849 5.428 3.956 662 HB3 MET 113 2HB MET 113 -17.854 6.540 5.318 663 HG2 MET 113 1HG MET 113 -18.437 7.883 3.530 664 HG3 MET 113 2HG MET 113 -16.710 8.187 3.716 665 HE1 MET 113 3HE MET 113 -15.389 7.673 0.330 666 HE2 MET 113 1HE MET 113 -14.906 7.587 2.022 667 HE3 MET 113 2HE MET 113 -15.880 8.941 1.453 668 H ASN 114 H ASN 114 -13.881 7.282 5.313 669 HA ASN 114 HA ASN 114 -14.733 8.197 7.886 670 HB2 ASN 114 1HB ASN 114 -13.452 5.694 7.840 671 HB3 ASN 114 2HB ASN 114 -12.234 6.840 8.394 672 HD21 ASN 114 2HD2 ASN 114 -15.666 6.102 8.904 673 HD22 ASN 114 1HD2 ASN 114 -15.622 6.314 10.621 674 H MET 115 H MET 115 -12.371 8.943 9.029 675 HA MET 115 HA MET 115 -11.475 10.994 7.183 676 HB2 MET 115 1HB MET 115 -10.120 11.703 9.278 677 HB3 MET 115 2HB MET 115 -11.868 11.895 9.286 678 HG2 MET 115 1HG MET 115 -12.170 10.030 10.691 679 HG3 MET 115 2HG MET 115 -10.514 9.480 10.443 680 HE1 MET 115 3HE MET 115 -12.017 11.955 13.813 681 HE2 MET 115 1HE MET 115 -12.500 10.383 13.176 682 HE3 MET 115 2HE MET 115 -12.913 11.855 12.297 683 H MET 116 H MET 116 -10.599 8.651 6.180 684 HA MET 116 HA MET 116 -7.707 8.922 6.441 685 HB2 MET 116 1HB MET 116 -7.796 6.232 6.253 686 HB3 MET 116 2HB MET 116 -7.634 7.094 7.774 687 HG2 MET 116 1HG MET 116 -9.291 5.554 8.223 688 HG3 MET 116 2HG MET 116 -10.205 7.012 7.847 689 HE1 MET 116 3HE MET 116 -9.554 3.501 4.960 690 HE2 MET 116 1HE MET 116 -8.435 4.090 6.192 691 HE3 MET 116 2HE MET 116 -8.625 4.976 4.677 692 H HIS 117 H HIS 117 -6.574 8.481 4.586 693 HA HIS 117 HA HIS 117 -7.742 7.115 2.344 694 HB2 HIS 117 1HB HIS 117 -8.114 9.960 2.567 695 HB3 HIS 117 2HB HIS 117 -7.067 9.609 1.198 696 HD1 HIS 117 HD1 HIS 117 -10.262 7.980 2.499 697 HD2 HIS 117 HD2 HIS 117 -8.602 9.471 -1.013 698 HE1 HIS 117 HE1 HIS 117 -12.003 7.615 0.716 699 H GLY 118 H GLY 118 -6.184 6.404 0.934 700 HA2 GLY 118 1HA GLY 118 -3.432 7.352 1.459 701 HA3 GLY 118 2HA GLY 118 -3.830 5.693 1.047 702 H LYS 119 H LYS 119 -2.170 7.988 -0.205 703 HA LYS 119 HA LYS 119 -3.283 7.699 -2.924 704 HB2 LYS 119 1HB LYS 119 -3.180 10.038 -1.770 705 HB3 LYS 119 2HB LYS 119 -1.470 9.958 -2.164 706 HG2 LYS 119 1HG LYS 119 -2.330 9.414 -4.562 707 HG3 LYS 119 2HG LYS 119 -3.825 10.153 -3.983 708 HD2 LYS 119 1HD LYS 119 -1.211 11.556 -3.589 709 HD3 LYS 119 2HD LYS 119 -2.020 11.622 -5.155 710 HE2 LYS 119 1HE LYS 119 -3.684 12.186 -2.775 711 HE3 LYS 119 2HE LYS 119 -2.468 13.393 -3.193 712 HZ1 LYS 119 3HZ LYS 119 -4.835 12.540 -4.703 713 HZ2 LYS 119 1HZ LYS 119 -3.485 13.098 -5.570 714 HZ3 LYS 119 2HZ LYS 119 -4.243 14.097 -4.426 715 H MET 120 H MET 120 -1.835 7.358 -4.638 716 HA MET 120 HA MET 120 0.943 6.722 -3.884 717 HB2 MET 120 1HB MET 120 -0.311 4.623 -3.982 718 HB3 MET 120 2HB MET 120 -0.876 5.016 -5.595 719 HG2 MET 120 1HG MET 120 1.852 5.189 -5.844 720 HG3 MET 120 2HG MET 120 1.637 3.843 -4.726 721 HE1 MET 120 3HE MET 120 0.383 1.012 -6.703 722 HE2 MET 120 1HE MET 120 -0.653 1.920 -5.598 723 HE3 MET 120 2HE MET 120 1.053 1.683 -5.215 724 H ILE 121 H ILE 121 2.498 7.248 -5.388 725 HA ILE 121 HA ILE 121 1.526 8.386 -7.933 726 HB ILE 121 HB ILE 121 3.732 9.486 -6.182 727 HG12 ILE 121 1HG1 ILE 121 2.026 11.544 -6.785 728 HG13 ILE 121 2HG1 ILE 121 0.914 10.185 -6.667 729 HG21 ILE 121 1HG2 ILE 121 4.434 9.631 -8.487 730 HG22 ILE 121 2HG2 ILE 121 3.965 11.234 -7.923 731 HG23 ILE 121 3HG2 ILE 121 2.875 10.309 -8.955 732 HD11 ILE 121 3HD1 ILE 121 2.915 10.829 -4.528 733 HD12 ILE 121 1HD1 ILE 121 1.508 9.769 -4.429 734 HD13 ILE 121 2HD1 ILE 121 1.291 11.515 -4.567 735 H VAL 122 H VAL 122 2.281 7.342 -9.634 736 HA VAL 122 HA VAL 122 4.728 5.739 -9.348 737 HB VAL 122 HB VAL 122 2.549 5.587 -11.438 738 HG11 VAL 122 1HG1 VAL 122 4.645 3.496 -11.050 739 HG12 VAL 122 2HG1 VAL 122 4.999 4.917 -12.032 740 HG13 VAL 122 3HG1 VAL 122 3.663 3.851 -12.471 741 HG21 VAL 122 3HG2 VAL 122 3.208 3.545 -9.334 742 HG22 VAL 122 1HG2 VAL 122 1.770 3.650 -10.349 743 HG23 VAL 122 2HG2 VAL 122 2.031 4.832 -9.066 744 H GLU 123 H GLU 123 6.550 6.362 -10.284 745 HA GLU 123 HA GLU 123 8.062 7.599 -11.457 746 HB2 GLU 123 1HB GLU 123 6.307 6.363 -13.287 747 HB3 GLU 123 2HB GLU 123 6.602 7.982 -13.903 748 HG2 GLU 123 1HG GLU 123 9.112 7.303 -13.326 749 HG3 GLU 123 2HG GLU 123 8.450 5.694 -13.605 Start of MODEL 14 1 HA2 GLY 26 1HA GLY 26 5.418 19.558 6.027 2 HA3 GLY 26 2HA GLY 26 4.199 19.548 7.295 3 H ALA 27 H ALA 27 2.548 19.307 4.502 4 HA ALA 27 HA ALA 27 2.072 16.473 4.864 5 HB1 ALA 27 3HB ALA 27 0.832 18.186 2.733 6 HB2 ALA 27 1HB ALA 27 0.296 18.249 4.412 7 HB3 ALA 27 2HB ALA 27 0.181 16.740 3.506 8 H MET 28 H MET 28 4.314 15.911 4.211 9 HA MET 28 HA MET 28 4.749 15.968 1.311 10 HB2 MET 28 1HB MET 28 7.053 15.166 1.903 11 HB3 MET 28 2HB MET 28 6.643 16.754 2.531 12 HG2 MET 28 1HG MET 28 6.552 16.023 4.707 13 HG3 MET 28 2HG MET 28 6.223 14.354 4.246 14 HE1 MET 28 3HE MET 28 9.844 15.069 6.160 15 HE2 MET 28 1HE MET 28 8.118 14.978 6.511 16 HE3 MET 28 2HE MET 28 8.814 16.474 5.889 17 H GLY 29 H GLY 29 5.564 14.007 0.252 18 HA2 GLY 29 1HA GLY 29 4.037 11.684 1.132 19 HA3 GLY 29 2HA GLY 29 4.799 11.895 -0.436 20 H GLN 30 H GLN 30 5.110 9.503 0.558 21 HA GLN 30 HA GLN 30 7.818 9.484 1.731 22 HB2 GLN 30 1HB GLN 30 5.496 8.310 2.753 23 HB3 GLN 30 2HB GLN 30 6.399 6.977 2.044 24 HG2 GLN 30 1HG GLN 30 8.357 7.599 3.370 25 HG3 GLN 30 2HG GLN 30 7.445 8.929 4.085 26 HE21 GLN 30 2HE2 GLN 30 7.989 5.524 4.054 27 HE22 GLN 30 1HE2 GLN 30 7.009 5.143 5.425 28 H LYS 31 H LYS 31 9.370 8.553 0.580 29 HA LYS 31 HA LYS 31 8.698 7.305 -1.955 30 HB2 LYS 31 1HB LYS 31 10.858 8.865 -0.977 31 HB3 LYS 31 2HB LYS 31 11.513 7.299 -1.429 32 HG2 LYS 31 1HG LYS 31 10.854 7.535 -3.656 33 HG3 LYS 31 2HG LYS 31 9.729 8.841 -3.277 34 HD2 LYS 31 1HD LYS 31 12.487 9.425 -2.518 35 HD3 LYS 31 2HD LYS 31 12.279 9.154 -4.249 36 HE2 LYS 31 1HE LYS 31 10.633 10.874 -4.396 37 HE3 LYS 31 2HE LYS 31 10.553 11.028 -2.641 38 HZ1 LYS 31 3HZ LYS 31 12.365 12.321 -2.594 39 HZ2 LYS 31 1HZ LYS 31 12.038 12.589 -4.232 40 HZ3 LYS 31 2HZ LYS 31 13.183 11.429 -3.777 41 H ALA 32 H ALA 32 8.664 5.175 -2.282 42 HA ALA 32 HA ALA 32 9.143 3.350 -0.149 43 HB1 ALA 32 3HB ALA 32 7.422 2.861 -1.747 44 HB2 ALA 32 1HB ALA 32 8.662 1.609 -1.860 45 HB3 ALA 32 2HB ALA 32 8.584 2.887 -3.074 46 H GLN 33 H GLN 33 10.707 1.670 -0.034 47 HA GLN 33 HA GLN 33 13.298 2.513 -0.970 48 HB2 GLN 33 1HB GLN 33 14.210 0.809 0.425 49 HB3 GLN 33 2HB GLN 33 12.904 1.572 1.315 50 HG2 GLN 33 1HG GLN 33 11.440 -0.334 0.593 51 HG3 GLN 33 2HG GLN 33 12.892 -1.115 -0.031 52 HE21 GLN 33 2HE2 GLN 33 10.866 -1.065 2.495 53 HE22 GLN 33 1HE2 GLN 33 11.925 -1.597 3.750 54 H GLN 34 H GLN 34 14.556 1.623 -2.506 55 HA GLN 34 HA GLN 34 13.267 -0.279 -4.309 56 HB2 GLN 34 1HB GLN 34 15.906 1.067 -4.822 57 HB3 GLN 34 2HB GLN 34 14.736 0.466 -5.986 58 HG2 GLN 34 1HG GLN 34 14.134 2.599 -6.204 59 HG3 GLN 34 2HG GLN 34 13.291 2.369 -4.673 60 HE21 GLN 34 2HE2 GLN 34 15.198 4.439 -6.222 61 HE22 GLN 34 1HE2 GLN 34 16.062 5.133 -4.899 62 H LYS 35 H LYS 35 13.652 -2.362 -4.015 63 HA LYS 35 HA LYS 35 16.125 -3.232 -2.725 64 HB2 LYS 35 1HB LYS 35 13.780 -4.935 -3.571 65 HB3 LYS 35 2HB LYS 35 15.056 -5.364 -2.443 66 HG2 LYS 35 1HG LYS 35 13.584 -2.965 -1.674 67 HG3 LYS 35 2HG LYS 35 12.584 -4.413 -1.774 68 HD2 LYS 35 1HD LYS 35 14.593 -5.482 -0.439 69 HD3 LYS 35 2HD LYS 35 14.873 -3.803 0.034 70 HE2 LYS 35 1HE LYS 35 13.379 -4.189 1.651 71 HE3 LYS 35 2HE LYS 35 12.168 -4.075 0.376 72 HZ1 LYS 35 3HZ LYS 35 11.661 -6.077 1.363 73 HZ2 LYS 35 1HZ LYS 35 13.284 -6.475 1.659 74 HZ3 LYS 35 2HZ LYS 35 12.665 -6.590 0.084 75 H ASN 36 H ASN 36 16.082 -5.878 -3.913 76 HA ASN 36 HA ASN 36 17.626 -5.275 -6.281 77 HB2 ASN 36 1HB ASN 36 17.683 -7.280 -4.315 78 HB3 ASN 36 2HB ASN 36 17.267 -8.101 -5.816 79 HD21 ASN 36 2HD2 ASN 36 19.644 -8.560 -4.488 80 HD22 ASN 36 1HD2 ASN 36 20.949 -7.964 -5.451 81 H GLY 37 H GLY 37 15.759 -4.482 -7.536 82 HA2 GLY 37 1HA GLY 37 14.788 -5.123 -9.636 83 HA3 GLY 37 2HA GLY 37 14.536 -6.733 -8.989 84 H TYR 38 H TYR 38 13.508 -5.077 -6.480 85 HA TYR 38 HA TYR 38 10.894 -4.323 -7.569 86 HB2 TYR 38 1HB TYR 38 9.664 -5.686 -6.015 87 HB3 TYR 38 2HB TYR 38 10.786 -6.727 -6.880 88 HD1 TYR 38 HD2 TYR 38 12.865 -7.523 -5.701 89 HD2 TYR 38 HD1 TYR 38 9.744 -5.473 -3.658 90 HE1 TYR 38 HE2 TYR 38 13.726 -8.360 -3.554 91 HE2 TYR 38 HE1 TYR 38 10.598 -6.303 -1.509 92 HH TYR 38 HH TYR 38 12.850 -8.790 -1.255 93 H GLN 39 H GLN 39 9.488 -3.288 -5.840 94 HA GLN 39 HA GLN 39 11.206 -1.740 -4.002 95 HB2 GLN 39 1HB GLN 39 8.600 -0.567 -4.710 96 HB3 GLN 39 2HB GLN 39 10.169 0.199 -4.538 97 HG2 GLN 39 1HG GLN 39 10.450 -1.320 -6.817 98 HG3 GLN 39 2HG GLN 39 8.795 -0.716 -6.919 99 HE21 GLN 39 2HE2 GLN 39 12.125 0.065 -7.106 100 HE22 GLN 39 1HE2 GLN 39 11.937 1.731 -7.514 101 H GLU 40 H GLU 40 10.278 -1.062 -1.991 102 HA GLU 40 HA GLU 40 7.872 -2.480 -1.115 103 HB2 GLU 40 1HB GLU 40 9.971 -3.885 -0.725 104 HB3 GLU 40 2HB GLU 40 10.414 -2.695 0.487 105 HG2 GLU 40 1HG GLU 40 8.001 -3.212 1.395 106 HG3 GLU 40 2HG GLU 40 8.238 -4.714 0.506 107 H ILE 41 H ILE 41 6.780 -1.485 0.531 108 HA ILE 41 HA ILE 41 8.036 0.755 1.930 109 HB ILE 41 HB ILE 41 7.061 1.966 0.145 110 HG12 ILE 41 1HG1 ILE 41 4.734 2.628 1.594 111 HG13 ILE 41 2HG1 ILE 41 5.930 2.148 2.788 112 HG21 ILE 41 1HG2 ILE 41 5.178 1.456 -0.983 113 HG22 ILE 41 2HG2 ILE 41 4.300 0.994 0.476 114 HG23 ILE 41 3HG2 ILE 41 5.441 -0.135 -0.264 115 HD11 ILE 41 3HD1 ILE 41 6.117 4.486 2.511 116 HD12 ILE 41 1HD1 ILE 41 6.140 4.346 0.753 117 HD13 ILE 41 2HD1 ILE 41 7.512 3.768 1.703 118 H ARG 42 H ARG 42 7.501 0.809 4.022 119 HA ARG 42 HA ARG 42 5.455 -1.029 4.970 120 HB2 ARG 42 1HB ARG 42 7.958 -0.326 5.933 121 HB3 ARG 42 2HB ARG 42 6.848 0.493 7.024 122 HG2 ARG 42 1HG ARG 42 5.698 -1.646 7.424 123 HG3 ARG 42 2HG ARG 42 6.878 -2.449 6.387 124 HD2 ARG 42 1HD ARG 42 8.537 -2.307 7.936 125 HD3 ARG 42 2HD ARG 42 7.938 -0.786 8.596 126 HE ARG 42 HE ARG 42 6.079 -2.336 9.520 127 HH11 ARG 42 1HH1 ARG 42 9.444 -3.131 9.233 128 HH12 ARG 42 2HH1 ARG 42 9.413 -4.247 10.553 129 HH21 ARG 42 1HH2 ARG 42 6.044 -3.790 11.240 130 HH22 ARG 42 2HH2 ARG 42 7.503 -4.618 11.682 131 H VAL 43 H VAL 43 3.467 -0.301 5.070 132 HA VAL 43 HA VAL 43 2.960 2.518 5.728 133 HB VAL 43 HB VAL 43 1.052 0.443 4.621 134 HG11 VAL 43 1HG1 VAL 43 0.496 2.874 5.857 135 HG12 VAL 43 2HG1 VAL 43 -0.593 1.924 4.846 136 HG13 VAL 43 3HG1 VAL 43 0.385 3.206 4.126 137 HG21 VAL 43 3HG2 VAL 43 2.427 2.706 3.184 138 HG22 VAL 43 1HG2 VAL 43 1.334 1.512 2.483 139 HG23 VAL 43 2HG2 VAL 43 2.913 1.013 3.091 140 H GLU 44 H GLU 44 2.894 2.761 7.872 141 HA GLU 44 HA GLU 44 1.922 0.761 9.665 142 HB2 GLU 44 1HB GLU 44 3.657 2.643 10.096 143 HB3 GLU 44 2HB GLU 44 2.253 3.650 10.411 144 HG2 GLU 44 1HG GLU 44 2.488 2.952 12.516 145 HG3 GLU 44 2HG GLU 44 1.702 1.480 11.947 146 H VAL 45 H VAL 45 -0.111 0.287 10.021 147 HA VAL 45 HA VAL 45 -2.206 2.227 9.378 148 HB VAL 45 HB VAL 45 -2.216 -0.767 9.740 149 HG11 VAL 45 1HG1 VAL 45 -4.712 -0.339 8.923 150 HG12 VAL 45 2HG1 VAL 45 -4.487 1.124 9.885 151 HG13 VAL 45 3HG1 VAL 45 -4.277 -0.461 10.628 152 HG21 VAL 45 3HG2 VAL 45 -3.352 0.635 7.387 153 HG22 VAL 45 1HG2 VAL 45 -2.499 -0.905 7.484 154 HG23 VAL 45 2HG2 VAL 45 -1.597 0.610 7.561 155 H MET 46 H MET 46 -2.401 3.536 11.112 156 HA MET 46 HA MET 46 -3.431 2.323 13.570 157 HB2 MET 46 1HB MET 46 -2.121 4.137 14.849 158 HB3 MET 46 2HB MET 46 -1.234 2.731 14.281 159 HG2 MET 46 1HG MET 46 -0.348 3.971 12.427 160 HG3 MET 46 2HG MET 46 -1.354 5.357 12.830 161 HE1 MET 46 3HE MET 46 0.878 3.476 15.926 162 HE2 MET 46 1HE MET 46 2.310 3.753 14.936 163 HE3 MET 46 2HE MET 46 0.951 2.833 14.286 164 H GLY 47 H GLY 47 -5.471 2.999 12.728 165 HA2 GLY 47 1HA GLY 47 -7.260 4.488 13.033 166 HA3 GLY 47 2HA GLY 47 -6.104 5.768 13.386 167 H GLY 48 H GLY 48 -4.770 4.503 10.830 168 HA2 GLY 48 1HA GLY 48 -6.301 5.002 8.575 169 HA3 GLY 48 2HA GLY 48 -5.559 6.533 9.019 170 H TYR 49 H TYR 49 -4.311 6.511 7.085 171 HA TYR 49 HA TYR 49 -2.221 4.443 6.976 172 HB2 TYR 49 1HB TYR 49 -3.046 6.417 4.836 173 HB3 TYR 49 2HB TYR 49 -1.890 5.105 4.648 174 HD1 TYR 49 HD2 TYR 49 -2.938 2.715 5.405 175 HD2 TYR 49 HD1 TYR 49 -5.145 6.057 3.968 176 HE1 TYR 49 HE2 TYR 49 -4.766 1.213 4.731 177 HE2 TYR 49 HE1 TYR 49 -6.977 4.565 3.294 178 HH TYR 49 HH TYR 49 -7.232 1.378 4.325 179 H THR 50 H THR 50 -0.189 4.960 7.558 180 HA THR 50 HA THR 50 0.435 7.540 8.529 181 HB THR 50 HB THR 50 2.230 5.180 7.972 182 HG1 THR 50 HG1 THR 50 0.858 4.839 9.706 183 HG21 THR 50 3HG2 THR 50 2.972 7.659 9.522 184 HG22 THR 50 1HG2 THR 50 3.436 7.396 7.841 185 HG23 THR 50 2HG2 THR 50 4.010 6.299 9.097 186 HA PRO 51 HA PRO 51 3.058 8.405 4.650 187 HB2 PRO 51 1HB PRO 51 3.234 6.611 2.638 188 HB3 PRO 51 2HB PRO 51 4.329 6.582 4.022 189 HG2 PRO 51 1HG PRO 51 1.905 4.914 3.492 190 HG3 PRO 51 2HG PRO 51 3.481 4.424 4.141 191 HD2 PRO 51 1HD PRO 51 1.302 4.855 5.711 192 HD3 PRO 51 2HD PRO 51 2.968 5.125 6.259 193 H GLU 52 H GLU 52 1.370 9.830 4.268 194 HA GLU 52 HA GLU 52 -1.112 9.340 3.192 195 HB2 GLU 52 1HB GLU 52 -0.983 11.740 2.329 196 HB3 GLU 52 2HB GLU 52 -0.752 11.492 4.054 197 HG2 GLU 52 1HG GLU 52 1.781 11.362 2.753 198 HG3 GLU 52 2HG GLU 52 0.938 12.819 2.231 199 H LEU 53 H LEU 53 1.878 9.995 1.388 200 HA LEU 53 HA LEU 53 0.559 8.880 -0.986 201 HB2 LEU 53 1HB LEU 53 2.531 10.787 -1.798 202 HB3 LEU 53 2HB LEU 53 0.830 10.720 -2.197 203 HG LEU 53 HG LEU 53 1.579 11.880 0.437 204 HD11 LEU 53 1HD1 LEU 53 3.037 13.274 -0.554 205 HD12 LEU 53 2HD1 LEU 53 1.582 14.085 -1.132 206 HD13 LEU 53 3HD1 LEU 53 2.422 12.936 -2.171 207 HD21 LEU 53 3HD2 LEU 53 -0.386 13.133 0.151 208 HD22 LEU 53 1HD2 LEU 53 -0.785 11.538 -0.486 209 HD23 LEU 53 2HD2 LEU 53 -0.410 12.861 -1.592 210 H ILE 54 H ILE 54 1.610 7.130 -1.650 211 HA ILE 54 HA ILE 54 4.434 6.805 -0.914 212 HB ILE 54 HB ILE 54 4.049 4.428 -1.833 213 HG12 ILE 54 1HG1 ILE 54 1.169 5.257 -1.411 214 HG13 ILE 54 2HG1 ILE 54 1.914 4.925 -2.972 215 HG21 ILE 54 1HG2 ILE 54 3.961 5.456 0.647 216 HG22 ILE 54 2HG2 ILE 54 3.772 3.738 0.290 217 HG23 ILE 54 3HG2 ILE 54 2.348 4.747 0.552 218 HD11 ILE 54 3HD1 ILE 54 2.472 2.625 -1.762 219 HD12 ILE 54 1HD1 ILE 54 0.949 2.913 -2.603 220 HD13 ILE 54 2HD1 ILE 54 1.029 3.069 -0.849 221 H VAL 55 H VAL 55 6.023 7.002 -2.351 222 HA VAL 55 HA VAL 55 5.297 7.364 -5.169 223 HB VAL 55 HB VAL 55 7.865 8.023 -3.717 224 HG11 VAL 55 1HG1 VAL 55 8.860 8.226 -5.688 225 HG12 VAL 55 2HG1 VAL 55 7.640 9.400 -6.184 226 HG13 VAL 55 3HG1 VAL 55 7.389 7.683 -6.497 227 HG21 VAL 55 3HG2 VAL 55 5.702 9.829 -4.789 228 HG22 VAL 55 1HG2 VAL 55 7.187 10.344 -3.990 229 HG23 VAL 55 2HG2 VAL 55 5.967 9.442 -3.091 230 H LEU 56 H LEU 56 5.744 5.907 -6.677 231 HA LEU 56 HA LEU 56 7.847 3.906 -6.191 232 HB2 LEU 56 1HB LEU 56 5.035 3.328 -7.133 233 HB3 LEU 56 2HB LEU 56 6.349 2.166 -7.171 234 HG LEU 56 HG LEU 56 5.696 3.429 -4.556 235 HD11 LEU 56 1HD1 LEU 56 3.945 1.781 -4.134 236 HD12 LEU 56 2HD1 LEU 56 4.048 1.239 -5.809 237 HD13 LEU 56 3HD1 LEU 56 3.497 2.875 -5.443 238 HD21 LEU 56 3HD2 LEU 56 6.479 0.640 -5.390 239 HD22 LEU 56 1HD2 LEU 56 6.326 1.227 -3.734 240 HD23 LEU 56 2HD2 LEU 56 7.577 1.884 -4.788 241 H LYS 57 H LYS 57 8.409 2.674 -8.210 242 HA LYS 57 HA LYS 57 8.535 4.537 -10.460 243 HB2 LYS 57 1HB LYS 57 10.307 2.618 -9.353 244 HB3 LYS 57 2HB LYS 57 9.911 2.077 -10.978 245 HG2 LYS 57 1HG LYS 57 10.404 4.684 -11.451 246 HG3 LYS 57 2HG LYS 57 11.483 4.398 -10.085 247 HD2 LYS 57 1HD LYS 57 12.492 2.515 -11.267 248 HD3 LYS 57 2HD LYS 57 11.396 2.771 -12.626 249 HE2 LYS 57 1HE LYS 57 12.353 5.046 -12.898 250 HE3 LYS 57 2HE LYS 57 13.516 4.670 -11.628 251 HZ1 LYS 57 3HZ LYS 57 14.198 4.350 -14.067 252 HZ2 LYS 57 1HZ LYS 57 13.280 2.930 -13.996 253 HZ3 LYS 57 2HZ LYS 57 14.597 3.140 -12.955 254 H LYS 58 H LYS 58 8.433 3.458 -12.712 255 HA LYS 58 HA LYS 58 5.940 1.918 -12.797 256 HB2 LYS 58 1HB LYS 58 6.156 4.120 -14.017 257 HB3 LYS 58 2HB LYS 58 7.291 3.322 -15.100 258 HG2 LYS 58 1HG LYS 58 5.540 1.702 -15.706 259 HG3 LYS 58 2HG LYS 58 4.407 2.570 -14.672 260 HD2 LYS 58 1HD LYS 58 3.888 3.722 -16.519 261 HD3 LYS 58 2HD LYS 58 5.408 4.576 -16.240 262 HE2 LYS 58 1HE LYS 58 6.030 3.888 -18.267 263 HE3 LYS 58 2HE LYS 58 6.174 2.275 -17.574 264 HZ1 LYS 58 3HZ LYS 58 3.917 3.420 -19.100 265 HZ2 LYS 58 1HZ LYS 58 3.705 2.049 -18.118 266 HZ3 LYS 58 2HZ LYS 58 4.797 2.012 -19.418 267 H SER 59 H SER 59 5.669 0.097 -14.055 268 HA SER 59 HA SER 59 6.160 -1.884 -15.036 269 HB2 SER 59 1HB SER 59 7.164 -0.543 -16.829 270 HB3 SER 59 2HB SER 59 8.697 -0.511 -15.957 271 HG SER 59 HG SER 59 8.543 -2.900 -16.078 272 H VAL 60 H VAL 60 7.212 -1.104 -12.303 273 HA VAL 60 HA VAL 60 9.134 -3.323 -12.043 274 HB VAL 60 HB VAL 60 10.123 -1.016 -11.697 275 HG11 VAL 60 1HG1 VAL 60 9.715 0.030 -9.489 276 HG12 VAL 60 2HG1 VAL 60 8.379 -1.096 -9.244 277 HG13 VAL 60 3HG1 VAL 60 8.313 0.076 -10.561 278 HG21 VAL 60 3HG2 VAL 60 10.230 -3.005 -9.438 279 HG22 VAL 60 1HG2 VAL 60 11.349 -1.654 -9.629 280 HG23 VAL 60 2HG2 VAL 60 11.286 -2.928 -10.849 281 HA PRO 61 HA PRO 61 6.081 -5.072 -9.302 282 HB2 PRO 61 1HB PRO 61 7.752 -6.774 -7.932 283 HB3 PRO 61 2HB PRO 61 7.056 -7.127 -9.518 284 HG2 PRO 61 1HG PRO 61 9.781 -6.121 -8.821 285 HG3 PRO 61 2HG PRO 61 9.300 -7.302 -10.053 286 HD2 PRO 61 1HD PRO 61 9.919 -4.747 -10.669 287 HD3 PRO 61 2HD PRO 61 8.692 -5.665 -11.565 288 H ALA 62 H ALA 62 5.295 -4.033 -7.573 289 HA ALA 62 HA ALA 62 7.190 -3.232 -5.457 290 HB1 ALA 62 3HB ALA 62 5.594 -1.285 -5.072 291 HB2 ALA 62 1HB ALA 62 4.931 -1.669 -6.660 292 HB3 ALA 62 2HB ALA 62 6.628 -1.214 -6.501 293 H ARG 63 H ARG 63 6.615 -3.625 -3.368 294 HA ARG 63 HA ARG 63 3.959 -4.799 -2.956 295 HB2 ARG 63 1HB ARG 63 4.826 -6.399 -1.447 296 HB3 ARG 63 2HB ARG 63 5.805 -6.456 -2.903 297 HG2 ARG 63 1HG ARG 63 7.263 -4.739 -1.486 298 HG3 ARG 63 2HG ARG 63 6.519 -5.648 -0.168 299 HD2 ARG 63 1HD ARG 63 8.200 -6.702 -2.425 300 HD3 ARG 63 2HD ARG 63 8.551 -6.721 -0.705 301 HE ARG 63 HE ARG 63 6.380 -8.300 -1.908 302 HH11 ARG 63 1HH1 ARG 63 9.037 -7.992 0.308 303 HH12 ARG 63 2HH1 ARG 63 8.840 -9.585 0.946 304 HH21 ARG 63 1HH2 ARG 63 6.132 -10.373 -1.074 305 HH22 ARG 63 2HH2 ARG 63 7.208 -10.925 0.170 306 H ILE 64 H ILE 64 2.723 -3.966 -1.462 307 HA ILE 64 HA ILE 64 3.829 -1.850 0.253 308 HB ILE 64 HB ILE 64 0.893 -2.390 -0.039 309 HG12 ILE 64 1HG1 ILE 64 1.972 -2.262 -2.333 310 HG13 ILE 64 2HG1 ILE 64 0.726 -1.062 -2.014 311 HG21 ILE 64 1HG2 ILE 64 0.599 -0.225 0.695 312 HG22 ILE 64 2HG2 ILE 64 2.198 0.290 0.153 313 HG23 ILE 64 3HG2 ILE 64 2.037 -0.720 1.590 314 HD11 ILE 64 3HD1 ILE 64 3.273 -0.002 -1.261 315 HD12 ILE 64 1HD1 ILE 64 2.140 0.569 -2.487 316 HD13 ILE 64 2HD1 ILE 64 3.353 -0.640 -2.905 317 H VAL 65 H VAL 65 4.311 -2.393 2.286 318 HA VAL 65 HA VAL 65 3.070 -4.746 3.499 319 HB VAL 65 HB VAL 65 5.176 -3.033 4.802 320 HG11 VAL 65 1HG1 VAL 65 5.791 -5.186 5.855 321 HG12 VAL 65 2HG1 VAL 65 4.431 -5.948 5.030 322 HG13 VAL 65 3HG1 VAL 65 4.142 -4.684 6.225 323 HG21 VAL 65 3HG2 VAL 65 6.118 -5.410 3.361 324 HG22 VAL 65 1HG2 VAL 65 6.847 -3.811 3.519 325 HG23 VAL 65 2HG2 VAL 65 5.576 -4.088 2.327 326 H PHE 66 H PHE 66 1.201 -4.442 4.549 327 HA PHE 66 HA PHE 66 0.726 -1.885 5.901 328 HB2 PHE 66 1HB PHE 66 -1.114 -4.148 5.125 329 HB3 PHE 66 2HB PHE 66 -1.637 -2.797 6.130 330 HD1 PHE 66 HD2 PHE 66 -1.302 -0.437 5.157 331 HD2 PHE 66 HD1 PHE 66 -1.219 -3.991 2.817 332 HE1 PHE 66 HE2 PHE 66 -1.754 0.888 3.135 333 HE2 PHE 66 HE1 PHE 66 -1.669 -2.672 0.790 334 HZ PHE 66 HZ PHE 66 -1.936 -0.229 0.950 335 H ASP 67 H ASP 67 1.303 -1.748 7.942 336 HA ASP 67 HA ASP 67 1.283 -4.142 9.643 337 HB2 ASP 67 1HB ASP 67 3.276 -2.441 9.375 338 HB3 ASP 67 2HB ASP 67 2.354 -1.482 10.527 339 H ARG 68 H ARG 68 -0.690 -4.444 10.541 340 HA ARG 68 HA ARG 68 -2.399 -2.220 11.185 341 HB2 ARG 68 1HB ARG 68 -3.254 -4.409 10.344 342 HB3 ARG 68 2HB ARG 68 -2.802 -5.126 11.885 343 HG2 ARG 68 1HG ARG 68 -4.804 -4.571 12.653 344 HG3 ARG 68 2HG ARG 68 -4.321 -2.879 12.541 345 HD2 ARG 68 1HD ARG 68 -6.166 -2.784 11.228 346 HD3 ARG 68 2HD ARG 68 -5.002 -3.275 9.998 347 HE ARG 68 HE ARG 68 -5.900 -5.441 10.040 348 HH11 ARG 68 1HH1 ARG 68 -7.547 -3.316 12.238 349 HH12 ARG 68 2HH1 ARG 68 -8.918 -4.357 12.398 350 HH21 ARG 68 1HH2 ARG 68 -7.678 -6.787 10.251 351 HH22 ARG 68 2HH2 ARG 68 -9.001 -6.310 11.278 352 H LYS 69 H LYS 69 -1.832 -0.992 12.833 353 HA LYS 69 HA LYS 69 -0.940 -2.222 15.342 354 HB2 LYS 69 1HB LYS 69 0.501 -0.464 14.611 355 HB3 LYS 69 2HB LYS 69 -0.855 0.603 14.283 356 HG2 LYS 69 1HG LYS 69 0.186 1.380 16.259 357 HG3 LYS 69 2HG LYS 69 -1.325 0.609 16.745 358 HD2 LYS 69 1HD LYS 69 -0.195 -0.730 18.111 359 HD3 LYS 69 2HD LYS 69 0.699 -1.377 16.734 360 HE2 LYS 69 1HE LYS 69 2.351 0.388 16.946 361 HE3 LYS 69 2HE LYS 69 1.436 1.115 18.265 362 HZ1 LYS 69 3HZ LYS 69 3.380 -0.890 18.409 363 HZ2 LYS 69 1HZ LYS 69 1.910 -1.571 18.894 364 HZ3 LYS 69 2HZ LYS 69 2.503 -0.192 19.676 365 H ASP 70 H ASP 70 -3.471 -0.224 13.953 366 HA ASP 70 HA ASP 70 -4.904 -0.213 16.520 367 HB2 ASP 70 1HB ASP 70 -4.455 1.929 15.136 368 HB3 ASP 70 2HB ASP 70 -5.730 1.339 14.076 369 HA PRO 71 HA PRO 71 -7.588 -3.338 14.775 370 HB2 PRO 71 1HB PRO 71 -9.196 -3.673 16.880 371 HB3 PRO 71 2HB PRO 71 -7.497 -4.164 16.945 372 HG2 PRO 71 1HG PRO 71 -8.793 -1.677 18.009 373 HG3 PRO 71 2HG PRO 71 -7.608 -2.741 18.794 374 HD2 PRO 71 1HD PRO 71 -6.954 -0.393 17.539 375 HD3 PRO 71 2HD PRO 71 -5.836 -1.761 17.714 376 H SER 72 H SER 72 -8.113 -0.595 14.011 377 HA SER 72 HA SER 72 -10.824 0.100 14.515 378 HB2 SER 72 1HB SER 72 -8.679 1.052 12.679 379 HB3 SER 72 2HB SER 72 -10.342 1.476 12.277 380 HG SER 72 HG SER 72 -8.952 2.040 14.698 381 HA PRO 73 HA PRO 73 -12.898 -2.727 11.786 382 HB2 PRO 73 1HB PRO 73 -15.212 -1.312 11.447 383 HB3 PRO 73 2HB PRO 73 -14.845 -2.261 12.892 384 HG2 PRO 73 1HG PRO 73 -14.547 0.683 12.435 385 HG3 PRO 73 2HG PRO 73 -15.197 -0.167 13.850 386 HD2 PRO 73 1HD PRO 73 -12.700 0.815 13.832 387 HD3 PRO 73 2HD PRO 73 -13.087 -0.715 14.647 388 H CYS 74 H CYS 74 -12.581 0.685 10.972 389 HA CYS 74 HA CYS 74 -13.317 0.352 8.219 390 HB2 CYS 74 1HB CYS 74 -12.059 2.711 8.179 391 HB3 CYS 74 2HB CYS 74 -13.699 2.527 8.792 392 HG CYS 74 HG CYS 74 -10.847 2.723 10.673 393 H LEU 75 H LEU 75 -10.553 -0.443 9.944 394 HA LEU 75 HA LEU 75 -8.860 -0.238 7.542 395 HB2 LEU 75 1HB LEU 75 -8.163 -0.242 10.467 396 HB3 LEU 75 2HB LEU 75 -6.964 -0.548 9.226 397 HG LEU 75 HG LEU 75 -8.619 1.958 9.176 398 HD11 LEU 75 1HD1 LEU 75 -6.264 2.766 10.235 399 HD12 LEU 75 2HD1 LEU 75 -6.487 1.219 11.053 400 HD13 LEU 75 3HD1 LEU 75 -7.729 2.469 11.171 401 HD21 LEU 75 3HD2 LEU 75 -5.785 1.615 8.280 402 HD22 LEU 75 1HD2 LEU 75 -6.994 2.780 7.742 403 HD23 LEU 75 2HD2 LEU 75 -7.118 1.089 7.252 404 H ASP 76 H ASP 76 -10.808 -2.385 8.741 405 HA ASP 76 HA ASP 76 -9.234 -4.670 9.306 406 HB2 ASP 76 1HB ASP 76 -11.793 -4.140 9.695 407 HB3 ASP 76 2HB ASP 76 -11.969 -4.929 8.131 408 H GLN 77 H GLN 77 -10.526 -3.350 6.310 409 HA GLN 77 HA GLN 77 -9.010 -5.398 4.838 410 HB2 GLN 77 1HB GLN 77 -11.815 -4.430 4.353 411 HB3 GLN 77 2HB GLN 77 -10.852 -5.103 3.045 412 HG2 GLN 77 1HG GLN 77 -10.651 -7.201 4.207 413 HG3 GLN 77 2HG GLN 77 -11.472 -6.536 5.619 414 HE21 GLN 77 2HE2 GLN 77 -11.932 -8.603 3.254 415 HE22 GLN 77 1HE2 GLN 77 -13.620 -8.381 2.940 416 H ILE 78 H ILE 78 -8.388 -4.751 2.646 417 HA ILE 78 HA ILE 78 -8.353 -1.854 2.193 418 HB ILE 78 HB ILE 78 -6.231 -2.276 3.279 419 HG12 ILE 78 1HG1 ILE 78 -4.970 -2.050 0.728 420 HG13 ILE 78 2HG1 ILE 78 -6.528 -1.238 0.643 421 HG21 ILE 78 1HG2 ILE 78 -4.548 -3.777 2.156 422 HG22 ILE 78 2HG2 ILE 78 -5.886 -4.433 1.214 423 HG23 ILE 78 3HG2 ILE 78 -5.882 -4.595 2.970 424 HD11 ILE 78 3HD1 ILE 78 -5.963 0.270 2.328 425 HD12 ILE 78 1HD1 ILE 78 -4.509 0.138 1.338 426 HD13 ILE 78 2HD1 ILE 78 -4.607 -0.716 2.878 427 H VAL 79 H VAL 79 -8.799 -1.331 0.145 428 HA VAL 79 HA VAL 79 -8.335 -3.347 -1.935 429 HB VAL 79 HB VAL 79 -10.640 -3.613 -1.612 430 HG11 VAL 79 1HG1 VAL 79 -11.012 -1.728 -0.133 431 HG12 VAL 79 2HG1 VAL 79 -12.238 -1.783 -1.399 432 HG13 VAL 79 3HG1 VAL 79 -10.918 -0.617 -1.499 433 HG21 VAL 79 3HG2 VAL 79 -11.706 -2.686 -3.617 434 HG22 VAL 79 1HG2 VAL 79 -10.095 -3.315 -3.966 435 HG23 VAL 79 2HG2 VAL 79 -10.351 -1.575 -3.821 436 H PHE 80 H PHE 80 -7.430 -2.638 -3.721 437 HA PHE 80 HA PHE 80 -6.846 0.218 -3.972 438 HB2 PHE 80 1HB PHE 80 -5.664 -2.311 -5.044 439 HB3 PHE 80 2HB PHE 80 -5.422 -0.829 -5.955 440 HD1 PHE 80 HD1 PHE 80 -5.006 -2.274 -2.556 441 HD2 PHE 80 HD2 PHE 80 -3.687 0.598 -5.405 442 HE1 PHE 80 HE1 PHE 80 -3.118 -1.695 -1.089 443 HE2 PHE 80 HE2 PHE 80 -1.794 1.185 -3.943 444 HZ PHE 80 HZ PHE 80 -1.507 0.036 -1.782 445 HA PRO 81 HA PRO 81 -10.343 0.096 -6.900 446 HB2 PRO 81 1HB PRO 81 -10.569 2.800 -7.131 447 HB3 PRO 81 2HB PRO 81 -11.285 1.866 -5.814 448 HG2 PRO 81 1HG PRO 81 -8.756 3.457 -5.855 449 HG3 PRO 81 2HG PRO 81 -9.982 3.337 -4.581 450 HD2 PRO 81 1HD PRO 81 -7.635 1.990 -4.489 451 HD3 PRO 81 2HD PRO 81 -9.132 1.353 -3.780 452 H ASP 82 H ASP 82 -7.183 1.423 -7.272 453 HA ASP 82 HA ASP 82 -7.640 1.968 -10.113 454 HB2 ASP 82 1HB ASP 82 -5.383 2.653 -8.236 455 HB3 ASP 82 2HB ASP 82 -5.257 2.872 -9.980 456 H PHE 83 H PHE 83 -6.626 -0.579 -8.181 457 HA PHE 83 HA PHE 83 -5.083 -1.735 -10.414 458 HB2 PHE 83 1HB PHE 83 -4.633 -1.945 -7.446 459 HB3 PHE 83 2HB PHE 83 -3.983 -3.149 -8.553 460 HD1 PHE 83 HD1 PHE 83 -3.915 0.422 -7.637 461 HD2 PHE 83 HD2 PHE 83 -2.062 -2.699 -9.859 462 HE1 PHE 83 HE1 PHE 83 -1.985 1.879 -8.066 463 HE2 PHE 83 HE2 PHE 83 -0.125 -1.244 -10.291 464 HZ PHE 83 HZ PHE 83 -0.088 1.052 -9.394 465 H GLY 84 H GLY 84 -7.703 -2.148 -8.192 466 HA2 GLY 84 1HA GLY 84 -9.447 -3.684 -8.333 467 HA3 GLY 84 2HA GLY 84 -8.566 -4.528 -9.600 468 H VAL 85 H VAL 85 -7.050 -3.765 -6.578 469 HA VAL 85 HA VAL 85 -6.959 -6.634 -5.931 470 HB VAL 85 HB VAL 85 -5.059 -4.379 -5.293 471 HG11 VAL 85 1HG1 VAL 85 -4.420 -5.441 -3.456 472 HG12 VAL 85 2HG1 VAL 85 -3.910 -6.794 -4.466 473 HG13 VAL 85 3HG1 VAL 85 -5.534 -6.770 -3.778 474 HG21 VAL 85 3HG2 VAL 85 -3.449 -5.826 -6.503 475 HG22 VAL 85 1HG2 VAL 85 -4.791 -5.276 -7.507 476 HG23 VAL 85 2HG2 VAL 85 -4.775 -6.925 -6.881 477 H HIS 86 H HIS 86 -8.223 -7.259 -4.305 478 HA HIS 86 HA HIS 86 -8.706 -5.383 -2.076 479 HB2 HIS 86 1HB HIS 86 -10.843 -6.851 -1.758 480 HB3 HIS 86 2HB HIS 86 -10.834 -5.592 -2.983 481 HD1 HIS 86 HD1 HIS 86 -9.738 -9.253 -3.046 482 HD2 HIS 86 HD2 HIS 86 -12.111 -6.561 -5.151 483 HE1 HIS 86 HE1 HIS 86 -10.677 -10.551 -4.989 484 H ALA 87 H ALA 87 -7.756 -6.003 -0.242 485 HA ALA 87 HA ALA 87 -7.556 -8.888 0.335 486 HB1 ALA 87 3HB ALA 87 -5.387 -7.052 -0.135 487 HB2 ALA 87 1HB ALA 87 -5.351 -8.803 0.075 488 HB3 ALA 87 2HB ALA 87 -5.288 -7.743 1.484 489 H ASN 88 H ASN 88 -6.970 -9.307 2.657 490 HA ASN 88 HA ASN 88 -8.369 -7.389 4.403 491 HB2 ASN 88 1HB ASN 88 -7.957 -10.223 5.246 492 HB3 ASN 88 2HB ASN 88 -9.285 -9.129 5.612 493 HD21 ASN 88 2HD2 ASN 88 -8.310 -11.743 3.792 494 HD22 ASN 88 1HD2 ASN 88 -9.609 -11.770 2.656 495 H LEU 89 H LEU 89 -7.413 -6.746 6.328 496 HA LEU 89 HA LEU 89 -4.569 -7.461 6.573 497 HB2 LEU 89 1HB LEU 89 -6.000 -5.116 7.817 498 HB3 LEU 89 2HB LEU 89 -4.270 -5.403 7.801 499 HG LEU 89 HG LEU 89 -5.946 -4.857 5.350 500 HD11 LEU 89 1HD1 LEU 89 -4.209 -3.081 7.040 501 HD12 LEU 89 2HD1 LEU 89 -5.897 -2.852 6.586 502 HD13 LEU 89 3HD1 LEU 89 -4.629 -2.697 5.370 503 HD21 LEU 89 3HD2 LEU 89 -4.114 -6.099 4.619 504 HD22 LEU 89 1HD2 LEU 89 -3.027 -5.362 5.797 505 HD23 LEU 89 2HD2 LEU 89 -3.595 -4.425 4.415 506 HA PRO 90 HA PRO 90 -5.674 -9.566 10.346 507 HB2 PRO 90 1HB PRO 90 -3.242 -10.598 10.871 508 HB3 PRO 90 2HB PRO 90 -4.268 -11.218 9.575 509 HG2 PRO 90 1HG PRO 90 -1.867 -9.467 9.419 510 HG3 PRO 90 2HG PRO 90 -2.434 -10.705 8.288 511 HD2 PRO 90 1HD PRO 90 -2.779 -7.944 8.016 512 HD3 PRO 90 2HD PRO 90 -3.649 -9.199 7.114 513 H MET 91 H MET 91 -5.857 -8.763 12.348 514 HA MET 91 HA MET 91 -4.487 -6.424 13.163 515 HB2 MET 91 1HB MET 91 -6.738 -6.873 13.932 516 HB3 MET 91 2HB MET 91 -6.207 -8.347 14.731 517 HG2 MET 91 1HG MET 91 -6.575 -6.484 16.288 518 HG3 MET 91 2HG MET 91 -4.923 -7.091 16.319 519 HE1 MET 91 3HE MET 91 -4.727 -4.779 17.768 520 HE2 MET 91 1HE MET 91 -3.771 -3.563 16.922 521 HE3 MET 91 2HE MET 91 -3.245 -5.246 16.935 522 H GLY 92 H GLY 92 -2.596 -6.170 14.127 523 HA2 GLY 92 1HA GLY 92 -0.826 -6.585 15.578 524 HA3 GLY 92 2HA GLY 92 -1.548 -8.135 15.974 525 H GLU 93 H GLU 93 -1.302 -7.639 12.631 526 HA GLU 93 HA GLU 93 1.323 -8.936 12.480 527 HB2 GLU 93 1HB GLU 93 -1.199 -9.938 11.156 528 HB3 GLU 93 2HB GLU 93 0.415 -10.507 10.753 529 HG2 GLU 93 1HG GLU 93 -0.583 -10.637 13.568 530 HG3 GLU 93 2HG GLU 93 -1.052 -11.863 12.393 531 H GLU 94 H GLU 94 1.884 -9.194 9.994 532 HA GLU 94 HA GLU 94 1.306 -6.586 8.744 533 HB2 GLU 94 1HB GLU 94 3.781 -8.308 8.604 534 HB3 GLU 94 2HB GLU 94 3.512 -6.913 7.572 535 HG2 GLU 94 1HG GLU 94 4.417 -5.635 9.125 536 HG3 GLU 94 2HG GLU 94 3.078 -6.034 10.199 537 H TYR 95 H TYR 95 0.477 -6.521 6.756 538 HA TYR 95 HA TYR 95 0.384 -9.026 5.196 539 HB2 TYR 95 1HB TYR 95 -1.820 -8.056 6.246 540 HB3 TYR 95 2HB TYR 95 -1.737 -6.924 4.901 541 HD1 TYR 95 HD1 TYR 95 -2.043 -10.493 5.802 542 HD2 TYR 95 HD2 TYR 95 -2.283 -7.607 2.684 543 HE1 TYR 95 HE1 TYR 95 -3.097 -12.167 4.342 544 HE2 TYR 95 HE2 TYR 95 -3.336 -9.275 1.215 545 HH TYR 95 HH TYR 95 -3.307 -11.916 1.109 546 H VAL 96 H VAL 96 1.320 -8.907 3.241 547 HA VAL 96 HA VAL 96 1.965 -6.227 2.237 548 HB VAL 96 HB VAL 96 3.798 -7.965 2.772 549 HG11 VAL 96 1HG1 VAL 96 4.012 -9.818 1.565 550 HG12 VAL 96 2HG1 VAL 96 3.815 -8.936 0.049 551 HG13 VAL 96 3HG1 VAL 96 2.395 -9.496 0.936 552 HG21 VAL 96 3HG2 VAL 96 5.064 -7.202 0.650 553 HG22 VAL 96 1HG2 VAL 96 4.517 -5.992 1.810 554 HG23 VAL 96 2HG2 VAL 96 3.607 -6.263 0.323 555 H VAL 97 H VAL 97 1.384 -5.524 0.286 556 HA VAL 97 HA VAL 97 -0.239 -7.324 -1.400 557 HB VAL 97 HB VAL 97 -0.393 -4.322 -1.055 558 HG11 VAL 97 1HG1 VAL 97 -0.668 -5.060 -3.444 559 HG12 VAL 97 2HG1 VAL 97 -2.062 -4.229 -2.754 560 HG13 VAL 97 3HG1 VAL 97 -2.077 -5.984 -2.923 561 HG21 VAL 97 3HG2 VAL 97 -1.581 -5.303 0.690 562 HG22 VAL 97 1HG2 VAL 97 -2.167 -6.622 -0.324 563 HG23 VAL 97 2HG2 VAL 97 -2.821 -4.997 -0.529 564 H GLU 98 H GLU 98 0.872 -8.012 -3.107 565 HA GLU 98 HA GLU 98 3.025 -6.369 -4.201 566 HB2 GLU 98 1HB GLU 98 2.297 -9.254 -4.344 567 HB3 GLU 98 2HB GLU 98 3.218 -8.570 -5.677 568 HG2 GLU 98 1HG GLU 98 5.070 -8.164 -4.375 569 HG3 GLU 98 2HG GLU 98 4.134 -8.103 -2.881 570 H ILE 99 H ILE 99 2.688 -5.074 -5.861 571 HA ILE 99 HA ILE 99 0.763 -5.867 -7.941 572 HB ILE 99 HB ILE 99 0.368 -3.220 -8.029 573 HG12 ILE 99 1HG1 ILE 99 0.623 -3.785 -5.067 574 HG13 ILE 99 2HG1 ILE 99 1.817 -2.890 -5.999 575 HG21 ILE 99 1HG2 ILE 99 -1.093 -5.218 -6.313 576 HG22 ILE 99 2HG2 ILE 99 -1.411 -4.816 -8.001 577 HG23 ILE 99 3HG2 ILE 99 -1.726 -3.627 -6.737 578 HD11 ILE 99 3HD1 ILE 99 0.680 -1.067 -5.460 579 HD12 ILE 99 1HD1 ILE 99 -0.686 -2.008 -4.859 580 HD13 ILE 99 2HD1 ILE 99 -0.570 -1.620 -6.576 581 H THR 100 H THR 100 1.083 -4.781 -9.996 582 HA THR 100 HA THR 100 3.844 -3.807 -10.342 583 HB THR 100 HB THR 100 2.344 -5.284 -12.492 584 HG1 THR 100 HG1 THR 100 3.376 -7.172 -11.784 585 HG21 THR 100 3HG2 THR 100 5.314 -5.113 -12.057 586 HG22 THR 100 1HG2 THR 100 4.431 -3.860 -12.929 587 HG23 THR 100 2HG2 THR 100 4.438 -5.518 -13.533 588 HA PRO 101 HA PRO 101 1.276 -0.345 -11.860 589 HB2 PRO 101 1HB PRO 101 3.154 1.555 -11.443 590 HB3 PRO 101 2HB PRO 101 2.135 0.930 -10.142 591 HG2 PRO 101 1HG PRO 101 4.944 0.178 -10.872 592 HG3 PRO 101 2HG PRO 101 4.263 0.509 -9.271 593 HD2 PRO 101 1HD PRO 101 4.638 -2.001 -10.185 594 HD3 PRO 101 2HD PRO 101 3.287 -1.577 -9.112 595 H GLU 102 H GLU 102 1.245 -0.891 -14.052 596 HA GLU 102 HA GLU 102 3.687 -0.528 -15.611 597 HB2 GLU 102 1HB GLU 102 0.972 -1.611 -16.362 598 HB3 GLU 102 2HB GLU 102 2.317 -1.461 -17.485 599 HG2 GLU 102 1HG GLU 102 3.269 -3.332 -16.750 600 HG3 GLU 102 2HG GLU 102 3.062 -2.869 -15.062 601 H GLN 103 H GLN 103 1.473 1.536 -14.517 602 HA GLN 103 HA GLN 103 1.700 3.259 -16.884 603 HB2 GLN 103 1HB GLN 103 -0.653 2.146 -16.389 604 HB3 GLN 103 2HB GLN 103 -0.761 3.446 -15.209 605 HG2 GLN 103 1HG GLN 103 0.095 4.730 -17.490 606 HG3 GLN 103 2HG GLN 103 -1.037 3.522 -18.096 607 HE21 GLN 103 2HE2 GLN 103 -0.656 6.444 -16.314 608 HE22 GLN 103 1HE2 GLN 103 -2.337 6.763 -16.074 609 H ALA 104 H ALA 104 2.275 5.317 -16.465 610 HA ALA 104 HA ALA 104 2.914 5.997 -13.711 611 HB1 ALA 104 3HB ALA 104 4.647 7.016 -14.652 612 HB2 ALA 104 1HB ALA 104 3.553 8.125 -15.479 613 HB3 ALA 104 2HB ALA 104 4.025 6.612 -16.251 614 H GLY 105 H GLY 105 1.681 7.230 -12.469 615 HA2 GLY 105 1HA GLY 105 0.371 9.567 -13.197 616 HA3 GLY 105 2HA GLY 105 -0.799 8.271 -13.384 617 H GLU 106 H GLU 106 -1.897 9.630 -11.731 618 HA GLU 106 HA GLU 106 -0.871 9.234 -9.021 619 HB2 GLU 106 1HB GLU 106 -2.417 11.288 -10.306 620 HB3 GLU 106 2HB GLU 106 -3.323 10.635 -8.949 621 HG2 GLU 106 1HG GLU 106 -1.458 11.089 -7.459 622 HG3 GLU 106 2HG GLU 106 -0.509 11.695 -8.815 623 H PHE 107 H PHE 107 -1.475 7.490 -7.993 624 HA PHE 107 HA PHE 107 -4.113 6.305 -8.574 625 HB2 PHE 107 1HB PHE 107 -1.544 5.020 -7.622 626 HB3 PHE 107 2HB PHE 107 -3.080 4.170 -7.715 627 HD1 PHE 107 HD2 PHE 107 -3.996 5.512 -10.338 628 HD2 PHE 107 HD1 PHE 107 -0.347 3.668 -9.153 629 HE1 PHE 107 HE2 PHE 107 -3.529 4.939 -12.680 630 HE2 PHE 107 HE1 PHE 107 0.125 3.096 -11.496 631 HZ PHE 107 HZ PHE 107 -1.467 3.730 -13.262 632 H SER 108 H SER 108 -4.910 4.952 -6.562 633 HA SER 108 HA SER 108 -4.179 6.091 -4.010 634 HB2 SER 108 1HB SER 108 -6.321 7.108 -3.504 635 HB3 SER 108 2HB SER 108 -5.683 7.822 -4.985 636 HG SER 108 HG SER 108 -7.035 6.153 -6.073 637 H PHE 109 H PHE 109 -5.490 5.233 -2.221 638 HA PHE 109 HA PHE 109 -7.049 2.839 -2.769 639 HB2 PHE 109 1HB PHE 109 -5.706 1.498 -1.114 640 HB3 PHE 109 2HB PHE 109 -4.893 1.823 -2.637 641 HD1 PHE 109 HD2 PHE 109 -3.050 3.470 -2.725 642 HD2 PHE 109 HD1 PHE 109 -4.853 2.308 0.951 643 HE1 PHE 109 HE2 PHE 109 -1.115 4.363 -1.497 644 HE2 PHE 109 HE1 PHE 109 -2.920 3.195 2.184 645 HZ PHE 109 HZ PHE 109 -1.047 4.223 0.962 646 H ALA 110 H ALA 110 -8.608 2.448 -1.261 647 HA ALA 110 HA ALA 110 -8.485 3.534 1.396 648 HB1 ALA 110 3HB ALA 110 -9.935 5.288 1.280 649 HB2 ALA 110 1HB ALA 110 -10.799 4.625 -0.107 650 HB3 ALA 110 2HB ALA 110 -9.234 5.404 -0.334 651 H CYS 111 H CYS 111 -10.238 2.841 2.731 652 HA CYS 111 HA CYS 111 -12.328 1.196 1.637 653 HB2 CYS 111 1HB CYS 111 -10.169 -0.241 1.808 654 HB3 CYS 111 2HB CYS 111 -10.478 -0.210 3.542 655 HG CYS 111 HG CYS 111 -13.260 -1.141 2.848 656 H GLY 112 H GLY 112 -13.799 0.383 3.335 657 HA2 GLY 112 1HA GLY 112 -14.799 0.454 5.439 658 HA3 GLY 112 2HA GLY 112 -13.468 1.445 6.011 659 H MET 113 H MET 113 -14.023 3.426 6.571 660 HA MET 113 HA MET 113 -15.828 5.002 4.955 661 HB2 MET 113 1HB MET 113 -16.880 3.564 7.128 662 HB3 MET 113 2HB MET 113 -16.736 5.223 7.691 663 HG2 MET 113 1HG MET 113 -17.885 5.771 5.403 664 HG3 MET 113 2HG MET 113 -18.424 4.097 5.516 665 HE1 MET 113 3HE MET 113 -19.989 7.694 7.778 666 HE2 MET 113 1HE MET 113 -19.564 7.551 6.073 667 HE3 MET 113 2HE MET 113 -18.297 7.557 7.298 668 H ASN 114 H ASN 114 -16.354 6.990 6.902 669 HA ASN 114 HA ASN 114 -15.490 8.836 7.893 670 HB2 ASN 114 1HB ASN 114 -14.056 6.809 9.029 671 HB3 ASN 114 2HB ASN 114 -12.772 7.803 8.350 672 HD21 ASN 114 2HD2 ASN 114 -14.379 7.260 11.076 673 HD22 ASN 114 1HD2 ASN 114 -14.322 8.828 11.797 674 H MET 115 H MET 115 -13.090 10.117 7.849 675 HA MET 115 HA MET 115 -12.741 10.603 4.973 676 HB2 MET 115 1HB MET 115 -12.321 12.324 7.405 677 HB3 MET 115 2HB MET 115 -11.660 12.768 5.837 678 HG2 MET 115 1HG MET 115 -13.602 13.617 5.214 679 HG3 MET 115 2HG MET 115 -14.415 12.087 5.536 680 HE1 MET 115 3HE MET 115 -15.447 11.400 7.751 681 HE2 MET 115 1HE MET 115 -16.614 12.389 6.875 682 HE3 MET 115 2HE MET 115 -16.394 12.614 8.610 683 H MET 116 H MET 116 -11.356 8.527 5.193 684 HA MET 116 HA MET 116 -8.573 9.407 5.505 685 HB2 MET 116 1HB MET 116 -8.195 6.918 6.303 686 HB3 MET 116 2HB MET 116 -8.620 8.185 7.443 687 HG2 MET 116 1HG MET 116 -10.089 6.595 8.103 688 HG3 MET 116 2HG MET 116 -11.072 7.385 6.872 689 HE1 MET 116 3HE MET 116 -8.736 3.483 6.355 690 HE2 MET 116 1HE MET 116 -8.244 4.919 7.251 691 HE3 MET 116 2HE MET 116 -8.089 4.878 5.493 692 H HIS 117 H HIS 117 -7.201 8.734 3.935 693 HA HIS 117 HA HIS 117 -7.683 6.443 2.307 694 HB2 HIS 117 1HB HIS 117 -8.109 7.520 0.184 695 HB3 HIS 117 2HB HIS 117 -9.344 8.013 1.332 696 HD1 HIS 117 HD1 HIS 117 -6.629 9.333 -0.817 697 HD2 HIS 117 HD2 HIS 117 -9.177 10.743 2.151 698 HE1 HIS 117 HE1 HIS 117 -6.483 11.840 -0.940 699 H GLY 118 H GLY 118 -5.984 6.025 0.788 700 HA2 GLY 118 1HA GLY 118 -3.544 7.588 1.374 701 HA3 GLY 118 2HA GLY 118 -3.557 5.866 1.025 702 H LYS 119 H LYS 119 -2.084 8.034 -0.307 703 HA LYS 119 HA LYS 119 -3.214 7.733 -3.017 704 HB2 LYS 119 1HB LYS 119 -2.940 10.086 -1.805 705 HB3 LYS 119 2HB LYS 119 -1.301 9.932 -2.424 706 HG2 LYS 119 1HG LYS 119 -2.374 9.494 -4.690 707 HG3 LYS 119 2HG LYS 119 -3.873 10.073 -3.962 708 HD2 LYS 119 1HD LYS 119 -1.408 11.728 -3.681 709 HD3 LYS 119 2HD LYS 119 -2.249 11.716 -5.233 710 HE2 LYS 119 1HE LYS 119 -4.243 12.019 -3.287 711 HE3 LYS 119 2HE LYS 119 -2.928 13.084 -2.793 712 HZ1 LYS 119 3HZ LYS 119 -3.521 14.509 -4.361 713 HZ2 LYS 119 1HZ LYS 119 -4.818 13.514 -4.794 714 HZ3 LYS 119 2HZ LYS 119 -3.321 13.339 -5.576 715 H MET 120 H MET 120 -1.781 7.363 -4.742 716 HA MET 120 HA MET 120 0.979 6.642 -4.007 717 HB2 MET 120 1HB MET 120 -0.477 4.607 -4.125 718 HB3 MET 120 2HB MET 120 -0.793 4.987 -5.810 719 HG2 MET 120 1HG MET 120 1.953 5.019 -5.665 720 HG3 MET 120 2HG MET 120 1.501 3.697 -4.591 721 HE1 MET 120 3HE MET 120 0.893 1.554 -5.177 722 HE2 MET 120 1HE MET 120 0.356 0.935 -6.740 723 HE3 MET 120 2HE MET 120 -0.734 1.914 -5.757 724 H ILE 121 H ILE 121 2.507 7.328 -5.428 725 HA ILE 121 HA ILE 121 1.535 8.386 -8.008 726 HB ILE 121 HB ILE 121 3.772 9.483 -6.293 727 HG12 ILE 121 1HG1 ILE 121 2.097 11.558 -6.795 728 HG13 ILE 121 2HG1 ILE 121 0.946 10.226 -6.774 729 HG21 ILE 121 1HG2 ILE 121 2.847 10.307 -9.044 730 HG22 ILE 121 2HG2 ILE 121 4.419 9.629 -8.614 731 HG23 ILE 121 3HG2 ILE 121 3.962 11.234 -8.039 732 HD11 ILE 121 3HD1 ILE 121 1.327 11.445 -4.597 733 HD12 ILE 121 1HD1 ILE 121 2.915 10.679 -4.558 734 HD13 ILE 121 2HD1 ILE 121 1.456 9.687 -4.549 735 H VAL 122 H VAL 122 2.231 7.263 -9.679 736 HA VAL 122 HA VAL 122 4.702 5.696 -9.418 737 HB VAL 122 HB VAL 122 2.433 5.456 -11.401 738 HG11 VAL 122 1HG1 VAL 122 3.534 3.719 -12.467 739 HG12 VAL 122 2HG1 VAL 122 4.644 3.460 -11.120 740 HG13 VAL 122 3HG1 VAL 122 4.840 4.864 -12.168 741 HG21 VAL 122 3HG2 VAL 122 1.847 4.684 -9.178 742 HG22 VAL 122 1HG2 VAL 122 3.301 3.685 -9.121 743 HG23 VAL 122 2HG2 VAL 122 2.020 3.312 -10.274 744 H GLU 123 H GLU 123 6.490 6.381 -10.366 745 HA GLU 123 HA GLU 123 6.385 7.756 -12.931 746 HB2 GLU 123 1HB GLU 123 6.605 9.227 -10.526 747 HB3 GLU 123 2HB GLU 123 8.198 9.246 -11.273 748 HG2 GLU 123 1HG GLU 123 5.885 9.825 -13.026 749 HG3 GLU 123 2HG GLU 123 6.313 11.043 -11.826 Start of MODEL 15 1 HA2 GLY 26 1HA GLY 26 10.858 18.073 2.088 2 HA3 GLY 26 2HA GLY 26 11.291 18.164 3.789 3 H ALA 27 H ALA 27 8.125 17.674 3.888 4 HA ALA 27 HA ALA 27 8.382 14.730 3.881 5 HB1 ALA 27 3HB ALA 27 7.819 14.797 6.030 6 HB2 ALA 27 1HB ALA 27 6.235 15.408 5.547 7 HB3 ALA 27 2HB ALA 27 7.531 16.536 5.948 8 H MET 28 H MET 28 7.603 16.223 1.590 9 HA MET 28 HA MET 28 4.724 16.090 1.368 10 HB2 MET 28 1HB MET 28 6.964 17.041 -0.322 11 HB3 MET 28 2HB MET 28 5.528 16.488 -1.172 12 HG2 MET 28 1HG MET 28 4.199 18.044 0.290 13 HG3 MET 28 2HG MET 28 5.737 18.704 0.843 14 HE1 MET 28 3HE MET 28 3.433 17.943 -2.040 15 HE2 MET 28 1HE MET 28 3.681 19.268 -3.175 16 HE3 MET 28 2HE MET 28 2.923 19.575 -1.613 17 H GLY 29 H GLY 29 4.926 13.701 2.014 18 HA2 GLY 29 1HA GLY 29 3.988 11.740 0.963 19 HA3 GLY 29 2HA GLY 29 4.916 12.120 -0.478 20 H GLN 30 H GLN 30 5.049 9.603 0.360 21 HA GLN 30 HA GLN 30 7.706 9.427 1.641 22 HB2 GLN 30 1HB GLN 30 5.204 8.115 2.330 23 HB3 GLN 30 2HB GLN 30 6.488 6.953 2.028 24 HG2 GLN 30 1HG GLN 30 7.562 9.019 3.641 25 HG3 GLN 30 2HG GLN 30 6.018 8.532 4.340 26 HE21 GLN 30 2HE2 GLN 30 5.948 6.726 5.511 27 HE22 GLN 30 1HE2 GLN 30 7.225 5.573 5.639 28 H LYS 31 H LYS 31 9.234 8.541 0.418 29 HA LYS 31 HA LYS 31 8.489 7.232 -2.073 30 HB2 LYS 31 1HB LYS 31 10.339 9.045 -1.750 31 HB3 LYS 31 2HB LYS 31 11.319 7.698 -1.190 32 HG2 LYS 31 1HG LYS 31 11.255 6.639 -3.276 33 HG3 LYS 31 2HG LYS 31 9.903 7.624 -3.832 34 HD2 LYS 31 1HD LYS 31 12.259 9.179 -3.066 35 HD3 LYS 31 2HD LYS 31 12.548 8.071 -4.408 36 HE2 LYS 31 1HE LYS 31 10.083 9.252 -4.965 37 HE3 LYS 31 2HE LYS 31 11.089 10.565 -4.356 38 HZ1 LYS 31 3HZ LYS 31 12.538 8.946 -6.182 39 HZ2 LYS 31 1HZ LYS 31 12.215 10.606 -6.248 40 HZ3 LYS 31 2HZ LYS 31 11.105 9.502 -6.907 41 H ALA 32 H ALA 32 8.510 5.097 -2.354 42 HA ALA 32 HA ALA 32 9.063 3.334 -0.195 43 HB1 ALA 32 3HB ALA 32 8.541 2.754 -3.107 44 HB2 ALA 32 1HB ALA 32 7.343 2.815 -1.811 45 HB3 ALA 32 2HB ALA 32 8.573 1.548 -1.819 46 H GLN 33 H GLN 33 10.640 1.677 -0.057 47 HA GLN 33 HA GLN 33 13.236 2.528 -0.971 48 HB2 GLN 33 1HB GLN 33 14.130 0.798 0.420 49 HB3 GLN 33 2HB GLN 33 12.830 1.580 1.304 50 HG2 GLN 33 1HG GLN 33 11.350 -0.317 0.497 51 HG3 GLN 33 2HG GLN 33 12.836 -1.122 -0.001 52 HE21 GLN 33 2HE2 GLN 33 11.889 0.766 2.855 53 HE22 GLN 33 1HE2 GLN 33 12.362 -0.430 4.006 54 H GLN 34 H GLN 34 14.610 1.501 -2.376 55 HA GLN 34 HA GLN 34 13.320 -0.348 -4.247 56 HB2 GLN 34 1HB GLN 34 15.956 1.082 -4.606 57 HB3 GLN 34 2HB GLN 34 14.988 0.295 -5.845 58 HG2 GLN 34 1HG GLN 34 13.185 2.008 -5.283 59 HG3 GLN 34 2HG GLN 34 14.451 2.871 -4.410 60 HE21 GLN 34 2HE2 GLN 34 13.268 1.884 -7.515 61 HE22 GLN 34 1HE2 GLN 34 14.307 2.900 -8.454 62 H LYS 35 H LYS 35 13.672 -2.435 -3.959 63 HA LYS 35 HA LYS 35 16.100 -3.321 -2.583 64 HB2 LYS 35 1HB LYS 35 13.754 -5.036 -3.381 65 HB3 LYS 35 2HB LYS 35 14.971 -5.371 -2.159 66 HG2 LYS 35 1HG LYS 35 13.383 -2.924 -1.748 67 HG3 LYS 35 2HG LYS 35 12.508 -4.449 -1.611 68 HD2 LYS 35 1HD LYS 35 15.071 -4.517 -0.243 69 HD3 LYS 35 2HD LYS 35 14.021 -3.237 0.365 70 HE2 LYS 35 1HE LYS 35 12.317 -5.389 0.120 71 HE3 LYS 35 2HE LYS 35 13.820 -6.127 0.676 72 HZ1 LYS 35 3HZ LYS 35 11.978 -4.978 2.275 73 HZ2 LYS 35 1HZ LYS 35 13.093 -3.702 2.084 74 HZ3 LYS 35 2HZ LYS 35 13.608 -5.205 2.688 75 H ASN 36 H ASN 36 15.849 -6.034 -3.732 76 HA ASN 36 HA ASN 36 17.571 -5.612 -6.005 77 HB2 ASN 36 1HB ASN 36 16.938 -7.809 -4.183 78 HB3 ASN 36 2HB ASN 36 17.158 -8.332 -5.851 79 HD21 ASN 36 2HD2 ASN 36 19.153 -8.798 -6.411 80 HD22 ASN 36 1HD2 ASN 36 20.586 -8.194 -5.662 81 H GLY 37 H GLY 37 15.858 -4.591 -7.346 82 HA2 GLY 37 1HA GLY 37 14.903 -4.994 -9.479 83 HA3 GLY 37 2HA GLY 37 14.614 -6.659 -9.010 84 H TYR 38 H TYR 38 13.530 -5.078 -6.417 85 HA TYR 38 HA TYR 38 10.936 -4.315 -7.535 86 HB2 TYR 38 1HB TYR 38 9.697 -5.706 -5.972 87 HB3 TYR 38 2HB TYR 38 10.760 -6.713 -6.943 88 HD1 TYR 38 HD2 TYR 38 12.910 -7.557 -5.897 89 HD2 TYR 38 HD1 TYR 38 9.823 -5.717 -3.621 90 HE1 TYR 38 HE2 TYR 38 13.834 -8.556 -3.849 91 HE2 TYR 38 HE1 TYR 38 10.737 -6.712 -1.568 92 HH TYR 38 HH TYR 38 12.267 -8.062 -0.698 93 H GLN 39 H GLN 39 9.547 -3.183 -5.932 94 HA GLN 39 HA GLN 39 11.243 -1.747 -3.987 95 HB2 GLN 39 1HB GLN 39 8.663 -0.542 -4.804 96 HB3 GLN 39 2HB GLN 39 10.200 0.226 -4.449 97 HG2 GLN 39 1HG GLN 39 10.543 -1.292 -6.808 98 HG3 GLN 39 2HG GLN 39 9.043 -0.379 -6.974 99 HE21 GLN 39 2HE2 GLN 39 9.733 1.871 -5.470 100 HE22 GLN 39 1HE2 GLN 39 10.963 2.739 -6.312 101 H GLU 40 H GLU 40 10.278 -1.054 -2.001 102 HA GLU 40 HA GLU 40 7.846 -2.459 -1.169 103 HB2 GLU 40 1HB GLU 40 9.826 -3.934 -0.704 104 HB3 GLU 40 2HB GLU 40 10.425 -2.696 0.389 105 HG2 GLU 40 1HG GLU 40 7.904 -3.057 1.330 106 HG3 GLU 40 2HG GLU 40 8.297 -4.673 0.756 107 H ILE 41 H ILE 41 6.733 -1.473 0.495 108 HA ILE 41 HA ILE 41 7.978 0.782 1.880 109 HB ILE 41 HB ILE 41 6.979 1.977 0.099 110 HG12 ILE 41 1HG1 ILE 41 4.661 2.622 1.571 111 HG13 ILE 41 2HG1 ILE 41 5.872 2.153 2.752 112 HG21 ILE 41 1HG2 ILE 41 4.389 0.517 0.565 113 HG22 ILE 41 2HG2 ILE 41 5.552 0.105 -0.698 114 HG23 ILE 41 3HG2 ILE 41 4.748 1.676 -0.713 115 HD11 ILE 41 3HD1 ILE 41 7.428 3.785 1.634 116 HD12 ILE 41 1HD1 ILE 41 6.047 4.488 2.479 117 HD13 ILE 41 2HD1 ILE 41 6.032 4.356 0.718 118 H ARG 42 H ARG 42 7.480 0.805 3.976 119 HA ARG 42 HA ARG 42 5.452 -1.039 4.943 120 HB2 ARG 42 1HB ARG 42 7.955 -0.309 5.884 121 HB3 ARG 42 2HB ARG 42 6.847 0.500 6.983 122 HG2 ARG 42 1HG ARG 42 5.727 -1.647 7.404 123 HG3 ARG 42 2HG ARG 42 6.895 -2.443 6.347 124 HD2 ARG 42 1HD ARG 42 8.492 -2.436 7.923 125 HD3 ARG 42 2HD ARG 42 8.118 -0.786 8.422 126 HE ARG 42 HE ARG 42 6.098 -2.548 9.306 127 HH11 ARG 42 1HH1 ARG 42 9.385 -1.667 9.965 128 HH12 ARG 42 2HH1 ARG 42 9.297 -2.113 11.633 129 HH21 ARG 42 1HH2 ARG 42 5.983 -3.128 11.482 130 HH22 ARG 42 2HH2 ARG 42 7.384 -2.936 12.488 131 H VAL 43 H VAL 43 3.459 -0.320 5.021 132 HA VAL 43 HA VAL 43 2.928 2.489 5.699 133 HB VAL 43 HB VAL 43 1.035 0.401 4.589 134 HG11 VAL 43 1HG1 VAL 43 0.469 2.833 5.827 135 HG12 VAL 43 2HG1 VAL 43 -0.618 1.873 4.823 136 HG13 VAL 43 3HG1 VAL 43 0.348 3.159 4.096 137 HG21 VAL 43 3HG2 VAL 43 2.373 2.681 3.147 138 HG22 VAL 43 1HG2 VAL 43 1.317 1.452 2.451 139 HG23 VAL 43 2HG2 VAL 43 2.906 1.002 3.068 140 H GLU 44 H GLU 44 2.862 2.724 7.843 141 HA GLU 44 HA GLU 44 1.907 0.705 9.628 142 HB2 GLU 44 1HB GLU 44 3.634 2.574 10.084 143 HB3 GLU 44 2HB GLU 44 2.236 3.601 10.368 144 HG2 GLU 44 1HG GLU 44 2.424 2.921 12.483 145 HG3 GLU 44 2HG GLU 44 1.640 1.448 11.913 146 H VAL 45 H VAL 45 -0.120 0.222 10.009 147 HA VAL 45 HA VAL 45 -2.224 2.159 9.379 148 HB VAL 45 HB VAL 45 -2.251 -0.842 9.697 149 HG11 VAL 45 1HG1 VAL 45 -4.300 -0.002 10.687 150 HG12 VAL 45 2HG1 VAL 45 -4.638 -0.781 9.141 151 HG13 VAL 45 3HG1 VAL 45 -4.610 0.978 9.254 152 HG21 VAL 45 3HG2 VAL 45 -3.267 0.609 7.314 153 HG22 VAL 45 1HG2 VAL 45 -2.481 -0.966 7.429 154 HG23 VAL 45 2HG2 VAL 45 -1.523 0.510 7.553 155 H MET 46 H MET 46 -2.443 3.422 11.148 156 HA MET 46 HA MET 46 -3.573 2.163 13.523 157 HB2 MET 46 1HB MET 46 -2.154 3.853 14.914 158 HB3 MET 46 2HB MET 46 -1.437 2.331 14.408 159 HG2 MET 46 1HG MET 46 -0.504 3.597 12.421 160 HG3 MET 46 2HG MET 46 -0.994 5.067 13.261 161 HE1 MET 46 3HE MET 46 0.261 6.212 15.014 162 HE2 MET 46 1HE MET 46 1.408 5.470 16.131 163 HE3 MET 46 2HE MET 46 -0.294 5.013 16.183 164 H GLY 47 H GLY 47 -5.546 3.038 12.844 165 HA2 GLY 47 1HA GLY 47 -7.203 4.657 13.143 166 HA3 GLY 47 2HA GLY 47 -5.954 5.815 13.586 167 H GLY 48 H GLY 48 -4.834 4.436 10.899 168 HA2 GLY 48 1HA GLY 48 -6.203 5.203 8.686 169 HA3 GLY 48 2HA GLY 48 -5.437 6.689 9.230 170 H TYR 49 H TYR 49 -4.452 6.329 6.987 171 HA TYR 49 HA TYR 49 -2.269 4.393 6.984 172 HB2 TYR 49 1HB TYR 49 -3.099 6.350 4.827 173 HB3 TYR 49 2HB TYR 49 -1.960 5.022 4.644 174 HD1 TYR 49 HD2 TYR 49 -3.161 2.700 5.677 175 HD2 TYR 49 HD1 TYR 49 -5.078 5.962 3.732 176 HE1 TYR 49 HE2 TYR 49 -5.014 1.218 5.027 177 HE2 TYR 49 HE1 TYR 49 -6.933 4.489 3.076 178 HH TYR 49 HH TYR 49 -7.137 1.166 4.217 179 H THR 50 H THR 50 -0.238 4.917 7.560 180 HA THR 50 HA THR 50 0.389 7.501 8.511 181 HB THR 50 HB THR 50 2.188 5.148 7.937 182 HG1 THR 50 HG1 THR 50 0.827 4.808 9.684 183 HG21 THR 50 3HG2 THR 50 3.367 7.391 7.804 184 HG22 THR 50 1HG2 THR 50 3.982 6.268 9.018 185 HG23 THR 50 2HG2 THR 50 2.944 7.610 9.503 186 HA PRO 51 HA PRO 51 2.957 8.382 4.604 187 HB2 PRO 51 1HB PRO 51 3.156 6.586 2.603 188 HB3 PRO 51 2HB PRO 51 4.250 6.567 3.989 189 HG2 PRO 51 1HG PRO 51 1.839 4.877 3.458 190 HG3 PRO 51 2HG PRO 51 3.417 4.401 4.108 191 HD2 PRO 51 1HD PRO 51 1.233 4.820 5.674 192 HD3 PRO 51 2HD PRO 51 2.898 5.094 6.224 193 H GLU 52 H GLU 52 1.227 9.776 4.247 194 HA GLU 52 HA GLU 52 -1.242 9.239 3.157 195 HB2 GLU 52 1HB GLU 52 -1.168 11.648 2.323 196 HB3 GLU 52 2HB GLU 52 -0.931 11.390 4.044 197 HG2 GLU 52 1HG GLU 52 1.607 11.338 2.746 198 HG3 GLU 52 2HG GLU 52 0.724 12.776 2.234 199 H LEU 53 H LEU 53 1.744 9.961 1.381 200 HA LEU 53 HA LEU 53 0.450 8.894 -1.030 201 HB2 LEU 53 1HB LEU 53 2.468 10.814 -1.735 202 HB3 LEU 53 2HB LEU 53 0.790 10.741 -2.219 203 HG LEU 53 HG LEU 53 1.404 11.847 0.471 204 HD11 LEU 53 1HD1 LEU 53 1.633 13.536 -2.005 205 HD12 LEU 53 2HD1 LEU 53 3.036 12.834 -1.201 206 HD13 LEU 53 3HD1 LEU 53 2.007 13.975 -0.338 207 HD21 LEU 53 3HD2 LEU 53 -0.914 11.506 -0.517 208 HD22 LEU 53 1HD2 LEU 53 -0.519 12.815 -1.632 209 HD23 LEU 53 2HD2 LEU 53 -0.552 13.115 0.106 210 H ILE 54 H ILE 54 1.490 7.136 -1.698 211 HA ILE 54 HA ILE 54 4.306 6.784 -0.938 212 HB ILE 54 HB ILE 54 3.897 4.407 -1.853 213 HG12 ILE 54 1HG1 ILE 54 1.029 5.272 -1.416 214 HG13 ILE 54 2HG1 ILE 54 1.759 4.927 -2.981 215 HG21 ILE 54 1HG2 ILE 54 2.228 4.451 0.477 216 HG22 ILE 54 2HG2 ILE 54 3.559 5.595 0.659 217 HG23 ILE 54 3HG2 ILE 54 3.895 3.901 0.297 218 HD11 ILE 54 3HD1 ILE 54 2.249 2.672 -1.408 219 HD12 ILE 54 1HD1 ILE 54 1.098 2.830 -2.736 220 HD13 ILE 54 2HD1 ILE 54 0.580 3.138 -1.077 221 H VAL 55 H VAL 55 5.894 7.012 -2.365 222 HA VAL 55 HA VAL 55 5.182 7.286 -5.195 223 HB VAL 55 HB VAL 55 7.738 8.047 -3.771 224 HG11 VAL 55 1HG1 VAL 55 7.903 9.427 -6.019 225 HG12 VAL 55 2HG1 VAL 55 6.931 8.089 -6.630 226 HG13 VAL 55 3HG1 VAL 55 8.506 7.773 -5.903 227 HG21 VAL 55 3HG2 VAL 55 5.644 9.363 -3.238 228 HG22 VAL 55 1HG2 VAL 55 5.656 9.884 -4.923 229 HG23 VAL 55 2HG2 VAL 55 7.007 10.293 -3.864 230 H LEU 56 H LEU 56 5.671 5.812 -6.656 231 HA LEU 56 HA LEU 56 7.787 3.842 -6.079 232 HB2 LEU 56 1HB LEU 56 5.051 3.229 -7.199 233 HB3 LEU 56 2HB LEU 56 6.365 2.077 -7.063 234 HG LEU 56 HG LEU 56 5.516 3.440 -4.567 235 HD11 LEU 56 1HD1 LEU 56 3.897 1.231 -5.825 236 HD12 LEU 56 2HD1 LEU 56 3.382 2.911 -5.673 237 HD13 LEU 56 3HD1 LEU 56 3.653 1.937 -4.229 238 HD21 LEU 56 3HD2 LEU 56 7.355 1.692 -4.853 239 HD22 LEU 56 1HD2 LEU 56 6.045 0.529 -5.063 240 HD23 LEU 56 2HD2 LEU 56 6.184 1.438 -3.559 241 H LYS 57 H LYS 57 8.283 2.520 -8.131 242 HA LYS 57 HA LYS 57 8.637 4.411 -10.335 243 HB2 LYS 57 1HB LYS 57 10.295 2.492 -9.157 244 HB3 LYS 57 2HB LYS 57 9.861 1.810 -10.719 245 HG2 LYS 57 1HG LYS 57 10.824 3.590 -11.893 246 HG3 LYS 57 2HG LYS 57 10.889 4.613 -10.455 247 HD2 LYS 57 1HD LYS 57 13.108 3.817 -10.946 248 HD3 LYS 57 2HD LYS 57 12.535 3.037 -9.471 249 HE2 LYS 57 1HE LYS 57 11.777 1.444 -11.712 250 HE3 LYS 57 2HE LYS 57 13.494 1.826 -11.844 251 HZ1 LYS 57 3HZ LYS 57 12.770 -0.240 -10.519 252 HZ2 LYS 57 1HZ LYS 57 12.375 0.855 -9.282 253 HZ3 LYS 57 2HZ LYS 57 13.966 0.759 -9.865 254 H LYS 58 H LYS 58 8.543 3.358 -12.608 255 HA LYS 58 HA LYS 58 6.000 1.899 -12.762 256 HB2 LYS 58 1HB LYS 58 6.270 4.128 -13.927 257 HB3 LYS 58 2HB LYS 58 7.393 3.331 -15.022 258 HG2 LYS 58 1HG LYS 58 5.610 1.750 -15.657 259 HG3 LYS 58 2HG LYS 58 4.492 2.636 -14.621 260 HD2 LYS 58 1HD LYS 58 4.014 3.803 -16.472 261 HD3 LYS 58 2HD LYS 58 5.540 4.635 -16.159 262 HE2 LYS 58 1HE LYS 58 6.176 3.964 -18.189 263 HE3 LYS 58 2HE LYS 58 6.303 2.344 -17.507 264 HZ1 LYS 58 3HZ LYS 58 4.099 3.513 -19.083 265 HZ2 LYS 58 1HZ LYS 58 3.816 2.174 -18.075 266 HZ3 LYS 58 2HZ LYS 58 4.940 2.070 -19.344 267 H SER 59 H SER 59 5.712 0.104 -14.040 268 HA SER 59 HA SER 59 6.185 -1.873 -15.041 269 HB2 SER 59 1HB SER 59 7.201 -0.511 -16.819 270 HB3 SER 59 2HB SER 59 8.735 -0.515 -15.951 271 HG SER 59 HG SER 59 8.555 -2.896 -16.107 272 H VAL 60 H VAL 60 7.240 -1.122 -12.305 273 HA VAL 60 HA VAL 60 9.161 -3.344 -12.059 274 HB VAL 60 HB VAL 60 10.131 -1.024 -11.685 275 HG11 VAL 60 1HG1 VAL 60 9.731 -0.075 -9.405 276 HG12 VAL 60 2HG1 VAL 60 8.354 -1.168 -9.263 277 HG13 VAL 60 3HG1 VAL 60 8.372 0.069 -10.520 278 HG21 VAL 60 3HG2 VAL 60 10.277 -3.045 -9.457 279 HG22 VAL 60 1HG2 VAL 60 11.391 -1.692 -9.659 280 HG23 VAL 60 2HG2 VAL 60 11.308 -2.956 -10.887 281 HA PRO 61 HA PRO 61 6.106 -5.114 -9.333 282 HB2 PRO 61 1HB PRO 61 7.779 -6.806 -7.952 283 HB3 PRO 61 2HB PRO 61 7.100 -7.165 -9.543 284 HG2 PRO 61 1HG PRO 61 9.812 -6.128 -8.827 285 HG3 PRO 61 2HG PRO 61 9.355 -7.323 -10.056 286 HD2 PRO 61 1HD PRO 61 9.950 -4.771 -10.690 287 HD3 PRO 61 2HD PRO 61 8.727 -5.702 -11.579 288 H ALA 62 H ALA 62 5.312 -4.069 -7.605 289 HA ALA 62 HA ALA 62 7.208 -3.252 -5.497 290 HB1 ALA 62 3HB ALA 62 5.298 -1.404 -5.196 291 HB2 ALA 62 1HB ALA 62 5.170 -1.675 -6.934 292 HB3 ALA 62 2HB ALA 62 6.709 -1.178 -6.231 293 H ARG 63 H ARG 63 6.642 -3.637 -3.411 294 HA ARG 63 HA ARG 63 4.000 -4.850 -2.983 295 HB2 ARG 63 1HB ARG 63 4.918 -6.434 -1.467 296 HB3 ARG 63 2HB ARG 63 5.908 -6.472 -2.915 297 HG2 ARG 63 1HG ARG 63 7.417 -4.815 -1.595 298 HG3 ARG 63 2HG ARG 63 6.563 -5.463 -0.195 299 HD2 ARG 63 1HD ARG 63 7.158 -7.767 -1.142 300 HD3 ARG 63 2HD ARG 63 8.314 -6.908 -2.158 301 HE ARG 63 HE ARG 63 9.151 -6.013 0.099 302 HH11 ARG 63 1HH1 ARG 63 7.883 -9.201 -0.417 303 HH12 ARG 63 2HH1 ARG 63 8.778 -9.896 0.887 304 HH21 ARG 63 1HH2 ARG 63 10.305 -6.922 1.804 305 HH22 ARG 63 2HH2 ARG 63 10.145 -8.615 2.135 306 H ILE 64 H ILE 64 2.752 -3.978 -1.526 307 HA ILE 64 HA ILE 64 3.834 -1.858 0.195 308 HB ILE 64 HB ILE 64 0.905 -2.435 -0.103 309 HG12 ILE 64 1HG1 ILE 64 2.031 -2.279 -2.390 310 HG13 ILE 64 2HG1 ILE 64 0.714 -1.154 -2.087 311 HG21 ILE 64 1HG2 ILE 64 2.027 -0.752 1.530 312 HG22 ILE 64 2HG2 ILE 64 0.579 -0.281 0.641 313 HG23 ILE 64 3HG2 ILE 64 2.165 0.263 0.094 314 HD11 ILE 64 3HD1 ILE 64 3.257 -0.016 -1.329 315 HD12 ILE 64 1HD1 ILE 64 2.031 0.592 -2.444 316 HD13 ILE 64 2HD1 ILE 64 3.254 -0.546 -3.012 317 H VAL 65 H VAL 65 4.339 -2.414 2.222 318 HA VAL 65 HA VAL 65 3.099 -4.769 3.433 319 HB VAL 65 HB VAL 65 5.225 -3.080 4.727 320 HG11 VAL 65 1HG1 VAL 65 5.389 -5.955 5.023 321 HG12 VAL 65 2HG1 VAL 65 3.822 -5.331 5.537 322 HG13 VAL 65 3HG1 VAL 65 5.302 -4.698 6.256 323 HG21 VAL 65 3HG2 VAL 65 5.586 -4.130 2.234 324 HG22 VAL 65 1HG2 VAL 65 6.167 -5.436 3.269 325 HG23 VAL 65 2HG2 VAL 65 6.872 -3.825 3.402 326 H PHE 66 H PHE 66 1.229 -4.444 4.476 327 HA PHE 66 HA PHE 66 0.794 -1.900 5.865 328 HB2 PHE 66 1HB PHE 66 -1.081 -4.144 5.111 329 HB3 PHE 66 2HB PHE 66 -1.570 -2.773 6.103 330 HD1 PHE 66 HD2 PHE 66 -1.297 -0.442 5.109 331 HD2 PHE 66 HD1 PHE 66 -1.140 -4.006 2.790 332 HE1 PHE 66 HE2 PHE 66 -1.774 0.863 3.079 333 HE2 PHE 66 HE1 PHE 66 -1.616 -2.707 0.755 334 HZ PHE 66 HZ PHE 66 -1.932 -0.268 0.900 335 H ASP 67 H ASP 67 1.164 -1.738 7.954 336 HA ASP 67 HA ASP 67 1.241 -4.179 9.600 337 HB2 ASP 67 1HB ASP 67 3.184 -2.390 9.372 338 HB3 ASP 67 2HB ASP 67 2.238 -1.533 10.581 339 H ARG 68 H ARG 68 -0.741 -4.539 10.465 340 HA ARG 68 HA ARG 68 -2.505 -2.374 11.153 341 HB2 ARG 68 1HB ARG 68 -3.272 -4.608 10.296 342 HB3 ARG 68 2HB ARG 68 -2.833 -5.289 11.856 343 HG2 ARG 68 1HG ARG 68 -4.882 -4.798 12.550 344 HG3 ARG 68 2HG ARG 68 -4.434 -3.095 12.468 345 HD2 ARG 68 1HD ARG 68 -5.214 -2.983 10.170 346 HD3 ARG 68 2HD ARG 68 -5.608 -4.701 10.201 347 HE ARG 68 HE ARG 68 -7.060 -2.548 11.540 348 HH11 ARG 68 1HH1 ARG 68 -6.769 -5.942 10.832 349 HH12 ARG 68 2HH1 ARG 68 -8.380 -6.299 11.348 350 HH21 ARG 68 1HH2 ARG 68 -9.177 -3.039 12.166 351 HH22 ARG 68 2HH2 ARG 68 -9.730 -4.682 12.083 352 H LYS 69 H LYS 69 -1.727 -1.142 12.765 353 HA LYS 69 HA LYS 69 -0.838 -2.382 15.257 354 HB2 LYS 69 1HB LYS 69 0.610 -0.651 14.616 355 HB3 LYS 69 2HB LYS 69 -0.709 0.392 14.106 356 HG2 LYS 69 1HG LYS 69 0.176 1.334 16.078 357 HG3 LYS 69 2HG LYS 69 -1.354 0.579 16.532 358 HD2 LYS 69 1HD LYS 69 0.193 -1.481 17.048 359 HD3 LYS 69 2HD LYS 69 1.438 -0.239 17.182 360 HE2 LYS 69 1HE LYS 69 0.683 -0.344 19.352 361 HE3 LYS 69 2HE LYS 69 -0.328 0.947 18.701 362 HZ1 LYS 69 3HZ LYS 69 -1.863 -1.137 18.144 363 HZ2 LYS 69 1HZ LYS 69 -1.937 -0.317 19.630 364 HZ3 LYS 69 2HZ LYS 69 -1.059 -1.757 19.508 365 H ASP 70 H ASP 70 -3.466 -0.492 13.931 366 HA ASP 70 HA ASP 70 -4.809 -0.538 16.556 367 HB2 ASP 70 1HB ASP 70 -4.327 1.671 15.183 368 HB3 ASP 70 2HB ASP 70 -5.778 1.186 14.312 369 HA PRO 71 HA PRO 71 -7.598 -3.468 14.661 370 HB2 PRO 71 1HB PRO 71 -9.225 -3.855 16.743 371 HB3 PRO 71 2HB PRO 71 -7.541 -4.397 16.790 372 HG2 PRO 71 1HG PRO 71 -8.767 -1.925 17.964 373 HG3 PRO 71 2HG PRO 71 -7.622 -3.061 18.706 374 HD2 PRO 71 1HD PRO 71 -6.882 -0.681 17.568 375 HD3 PRO 71 2HD PRO 71 -5.813 -2.093 17.675 376 H SER 72 H SER 72 -8.042 -0.673 14.028 377 HA SER 72 HA SER 72 -10.721 0.095 14.556 378 HB2 SER 72 1HB SER 72 -9.426 1.059 12.062 379 HB3 SER 72 2HB SER 72 -10.241 1.969 13.328 380 HG SER 72 HG SER 72 -8.366 1.615 14.644 381 HA PRO 73 HA PRO 73 -12.907 -2.604 11.777 382 HB2 PRO 73 1HB PRO 73 -15.176 -1.110 11.479 383 HB3 PRO 73 2HB PRO 73 -14.833 -2.098 12.903 384 HG2 PRO 73 1HG PRO 73 -14.442 0.845 12.500 385 HG3 PRO 73 2HG PRO 73 -15.115 -0.011 13.902 386 HD2 PRO 73 1HD PRO 73 -12.587 0.890 13.889 387 HD3 PRO 73 2HD PRO 73 -13.019 -0.643 14.678 388 H CYS 74 H CYS 74 -12.606 0.838 11.029 389 HA CYS 74 HA CYS 74 -13.282 0.531 8.257 390 HB2 CYS 74 1HB CYS 74 -12.088 2.932 8.299 391 HB3 CYS 74 2HB CYS 74 -13.744 2.685 8.843 392 HG CYS 74 HG CYS 74 -11.773 2.123 11.386 393 H LEU 75 H LEU 75 -10.620 -0.416 9.934 394 HA LEU 75 HA LEU 75 -8.835 -0.021 7.621 395 HB2 LEU 75 1HB LEU 75 -8.305 -0.014 10.567 396 HB3 LEU 75 2HB LEU 75 -7.027 -0.443 9.451 397 HG LEU 75 HG LEU 75 -8.545 2.156 9.285 398 HD11 LEU 75 1HD1 LEU 75 -6.484 3.133 10.320 399 HD12 LEU 75 2HD1 LEU 75 -5.997 1.492 10.744 400 HD13 LEU 75 3HD1 LEU 75 -7.480 2.173 11.413 401 HD21 LEU 75 3HD2 LEU 75 -7.522 2.095 7.278 402 HD22 LEU 75 1HD2 LEU 75 -6.342 0.890 7.796 403 HD23 LEU 75 2HD2 LEU 75 -6.109 2.589 8.211 404 H ASP 76 H ASP 76 -10.763 -2.265 8.790 405 HA ASP 76 HA ASP 76 -9.097 -4.519 9.229 406 HB2 ASP 76 1HB ASP 76 -11.706 -4.025 9.664 407 HB3 ASP 76 2HB ASP 76 -11.834 -4.953 8.173 408 H GLN 77 H GLN 77 -10.736 -3.281 6.337 409 HA GLN 77 HA GLN 77 -9.219 -5.250 4.755 410 HB2 GLN 77 1HB GLN 77 -12.066 -4.431 4.622 411 HB3 GLN 77 2HB GLN 77 -11.246 -4.687 3.087 412 HG2 GLN 77 1HG GLN 77 -10.572 -6.944 3.922 413 HG3 GLN 77 2HG GLN 77 -11.611 -6.669 5.318 414 HE21 GLN 77 2HE2 GLN 77 -11.719 -8.648 3.106 415 HE22 GLN 77 1HE2 GLN 77 -13.309 -8.482 2.442 416 H ILE 78 H ILE 78 -8.384 -4.593 2.763 417 HA ILE 78 HA ILE 78 -8.489 -1.704 2.200 418 HB ILE 78 HB ILE 78 -6.370 -2.032 3.302 419 HG12 ILE 78 1HG1 ILE 78 -5.138 -1.970 0.697 420 HG13 ILE 78 2HG1 ILE 78 -6.654 -1.074 0.667 421 HG21 ILE 78 1HG2 ILE 78 -6.030 -4.331 1.404 422 HG22 ILE 78 2HG2 ILE 78 -5.944 -4.331 3.167 423 HG23 ILE 78 3HG2 ILE 78 -4.660 -3.578 2.221 424 HD11 ILE 78 3HD1 ILE 78 -5.917 0.479 2.196 425 HD12 ILE 78 1HD1 ILE 78 -4.453 0.137 1.272 426 HD13 ILE 78 2HD1 ILE 78 -4.686 -0.600 2.857 427 H VAL 79 H VAL 79 -8.922 -1.230 0.129 428 HA VAL 79 HA VAL 79 -8.404 -3.294 -1.892 429 HB VAL 79 HB VAL 79 -10.686 -3.632 -1.606 430 HG11 VAL 79 1HG1 VAL 79 -12.354 -1.885 -1.335 431 HG12 VAL 79 2HG1 VAL 79 -11.099 -0.652 -1.469 432 HG13 VAL 79 3HG1 VAL 79 -11.102 -1.763 -0.099 433 HG21 VAL 79 3HG2 VAL 79 -11.793 -2.749 -3.596 434 HG22 VAL 79 1HG2 VAL 79 -10.144 -3.262 -3.960 435 HG23 VAL 79 2HG2 VAL 79 -10.515 -1.546 -3.782 436 H PHE 80 H PHE 80 -7.479 -2.614 -3.673 437 HA PHE 80 HA PHE 80 -6.976 0.242 -4.027 438 HB2 PHE 80 1HB PHE 80 -5.771 -2.291 -5.093 439 HB3 PHE 80 2HB PHE 80 -5.528 -0.793 -5.974 440 HD1 PHE 80 HD1 PHE 80 -5.151 -2.265 -2.578 441 HD2 PHE 80 HD2 PHE 80 -3.764 0.589 -5.413 442 HE1 PHE 80 HE1 PHE 80 -3.265 -1.716 -1.095 443 HE2 PHE 80 HE2 PHE 80 -1.873 1.144 -3.933 444 HZ PHE 80 HZ PHE 80 -1.623 -0.011 -1.773 445 HA PRO 81 HA PRO 81 -10.502 -0.050 -6.905 446 HB2 PRO 81 1HB PRO 81 -10.805 2.639 -7.214 447 HB3 PRO 81 2HB PRO 81 -11.471 1.730 -5.854 448 HG2 PRO 81 1HG PRO 81 -8.983 3.379 -5.997 449 HG3 PRO 81 2HG PRO 81 -10.185 3.275 -4.699 450 HD2 PRO 81 1HD PRO 81 -7.807 1.988 -4.600 451 HD3 PRO 81 2HD PRO 81 -9.276 1.341 -3.844 452 H ASP 82 H ASP 82 -7.385 1.353 -7.361 453 HA ASP 82 HA ASP 82 -7.900 1.789 -10.210 454 HB2 ASP 82 1HB ASP 82 -5.615 2.606 -8.415 455 HB3 ASP 82 2HB ASP 82 -5.583 2.807 -10.166 456 H PHE 83 H PHE 83 -6.697 -0.622 -8.183 457 HA PHE 83 HA PHE 83 -5.147 -1.789 -10.407 458 HB2 PHE 83 1HB PHE 83 -4.682 -1.886 -7.439 459 HB3 PHE 83 2HB PHE 83 -4.010 -3.122 -8.497 460 HD1 PHE 83 HD1 PHE 83 -3.974 0.469 -7.674 461 HD2 PHE 83 HD2 PHE 83 -2.143 -2.667 -9.895 462 HE1 PHE 83 HE1 PHE 83 -2.074 1.941 -8.179 463 HE2 PHE 83 HE2 PHE 83 -0.236 -1.195 -10.403 464 HZ PHE 83 HZ PHE 83 -0.204 1.114 -9.544 465 H GLY 84 H GLY 84 -7.760 -2.236 -8.190 466 HA2 GLY 84 1HA GLY 84 -9.445 -3.839 -8.290 467 HA3 GLY 84 2HA GLY 84 -8.532 -4.682 -9.535 468 H VAL 85 H VAL 85 -7.104 -3.789 -6.491 469 HA VAL 85 HA VAL 85 -6.905 -6.641 -5.790 470 HB VAL 85 HB VAL 85 -5.081 -4.313 -5.194 471 HG11 VAL 85 1HG1 VAL 85 -5.504 -6.663 -3.609 472 HG12 VAL 85 2HG1 VAL 85 -4.413 -5.305 -3.330 473 HG13 VAL 85 3HG1 VAL 85 -3.880 -6.683 -4.295 474 HG21 VAL 85 3HG2 VAL 85 -4.713 -6.888 -6.716 475 HG22 VAL 85 1HG2 VAL 85 -3.417 -5.751 -6.347 476 HG23 VAL 85 2HG2 VAL 85 -4.759 -5.254 -7.378 477 H HIS 86 H HIS 86 -8.152 -7.272 -4.156 478 HA HIS 86 HA HIS 86 -8.706 -5.366 -1.967 479 HB2 HIS 86 1HB HIS 86 -10.821 -6.869 -1.650 480 HB3 HIS 86 2HB HIS 86 -10.821 -5.625 -2.893 481 HD1 HIS 86 HD1 HIS 86 -9.644 -9.259 -2.904 482 HD2 HIS 86 HD2 HIS 86 -12.072 -6.652 -5.052 483 HE1 HIS 86 HE1 HIS 86 -10.542 -10.604 -4.835 484 H ALA 87 H ALA 87 -7.816 -5.951 -0.087 485 HA ALA 87 HA ALA 87 -7.613 -8.817 0.550 486 HB1 ALA 87 3HB ALA 87 -5.399 -6.992 0.062 487 HB2 ALA 87 1HB ALA 87 -5.424 -8.754 0.131 488 HB3 ALA 87 2HB ALA 87 -5.288 -7.814 1.618 489 H ASN 88 H ASN 88 -6.971 -9.173 2.870 490 HA ASN 88 HA ASN 88 -8.256 -7.153 4.592 491 HB2 ASN 88 1HB ASN 88 -7.989 -9.876 5.683 492 HB3 ASN 88 2HB ASN 88 -9.366 -8.780 5.716 493 HD21 ASN 88 2HD2 ASN 88 -7.992 -11.519 4.287 494 HD22 ASN 88 1HD2 ASN 88 -9.187 -11.776 3.068 495 H LEU 89 H LEU 89 -7.252 -6.560 6.521 496 HA LEU 89 HA LEU 89 -4.424 -7.354 6.690 497 HB2 LEU 89 1HB LEU 89 -5.719 -4.993 8.037 498 HB3 LEU 89 2HB LEU 89 -4.003 -5.307 7.844 499 HG LEU 89 HG LEU 89 -5.908 -4.711 5.577 500 HD11 LEU 89 1HD1 LEU 89 -4.025 -2.979 7.143 501 HD12 LEU 89 2HD1 LEU 89 -5.725 -2.705 6.768 502 HD13 LEU 89 3HD1 LEU 89 -4.509 -2.576 5.496 503 HD21 LEU 89 3HD2 LEU 89 -4.201 -5.928 4.607 504 HD22 LEU 89 1HD2 LEU 89 -2.987 -5.324 5.735 505 HD23 LEU 89 2HD2 LEU 89 -3.605 -4.275 4.460 506 HA PRO 90 HA PRO 90 -5.519 -9.530 10.426 507 HB2 PRO 90 1HB PRO 90 -3.092 -10.607 10.894 508 HB3 PRO 90 2HB PRO 90 -4.154 -11.193 9.611 509 HG2 PRO 90 1HG PRO 90 -1.749 -9.442 9.428 510 HG3 PRO 90 2HG PRO 90 -2.312 -10.699 8.316 511 HD2 PRO 90 1HD PRO 90 -2.672 -7.972 7.971 512 HD3 PRO 90 2HD PRO 90 -3.620 -9.238 7.168 513 H MET 91 H MET 91 -5.652 -8.786 12.449 514 HA MET 91 HA MET 91 -4.254 -6.476 13.298 515 HB2 MET 91 1HB MET 91 -6.502 -6.957 14.086 516 HB3 MET 91 2HB MET 91 -5.941 -8.432 14.863 517 HG2 MET 91 1HG MET 91 -6.296 -6.593 16.446 518 HG3 MET 91 2HG MET 91 -4.634 -7.171 16.432 519 HE1 MET 91 3HE MET 91 -3.548 -3.623 17.055 520 HE2 MET 91 1HE MET 91 -3.002 -5.300 17.063 521 HE3 MET 91 2HE MET 91 -4.485 -4.852 17.905 522 H GLY 92 H GLY 92 -2.344 -6.256 14.220 523 HA2 GLY 92 1HA GLY 92 -0.548 -6.712 15.626 524 HA3 GLY 92 2HA GLY 92 -1.269 -8.268 16.001 525 H GLU 93 H GLU 93 -1.121 -7.755 12.668 526 HA GLU 93 HA GLU 93 1.513 -9.027 12.437 527 HB2 GLU 93 1HB GLU 93 -1.026 -10.020 11.136 528 HB3 GLU 93 2HB GLU 93 0.585 -10.594 10.733 529 HG2 GLU 93 1HG GLU 93 -0.402 -10.723 13.550 530 HG3 GLU 93 2HG GLU 93 -0.895 -11.942 12.375 531 H GLU 94 H GLU 94 2.018 -9.254 9.936 532 HA GLU 94 HA GLU 94 1.393 -6.639 8.727 533 HB2 GLU 94 1HB GLU 94 3.890 -8.321 8.567 534 HB3 GLU 94 2HB GLU 94 3.586 -6.960 7.501 535 HG2 GLU 94 1HG GLU 94 4.330 -5.539 9.021 536 HG3 GLU 94 2HG GLU 94 3.195 -6.156 10.219 537 H TYR 95 H TYR 95 0.583 -6.551 6.725 538 HA TYR 95 HA TYR 95 0.453 -9.055 5.164 539 HB2 TYR 95 1HB TYR 95 -1.734 -8.080 6.239 540 HB3 TYR 95 2HB TYR 95 -1.660 -6.940 4.902 541 HD1 TYR 95 HD1 TYR 95 -2.003 -10.502 5.794 542 HD2 TYR 95 HD2 TYR 95 -2.208 -7.617 2.676 543 HE1 TYR 95 HE1 TYR 95 -3.080 -12.164 4.336 544 HE2 TYR 95 HE2 TYR 95 -3.286 -9.270 1.209 545 HH TYR 95 HH TYR 95 -3.321 -11.867 1.075 546 H VAL 96 H VAL 96 1.403 -8.931 3.218 547 HA VAL 96 HA VAL 96 2.034 -6.251 2.207 548 HB VAL 96 HB VAL 96 3.868 -7.991 2.728 549 HG11 VAL 96 1HG1 VAL 96 3.866 -8.963 0.005 550 HG12 VAL 96 2HG1 VAL 96 2.453 -9.520 0.900 551 HG13 VAL 96 3HG1 VAL 96 4.073 -9.844 1.519 552 HG21 VAL 96 3HG2 VAL 96 5.121 -7.228 0.595 553 HG22 VAL 96 1HG2 VAL 96 4.585 -6.019 1.762 554 HG23 VAL 96 2HG2 VAL 96 3.663 -6.286 0.283 555 H VAL 97 H VAL 97 1.436 -5.541 0.266 556 HA VAL 97 HA VAL 97 -0.197 -7.334 -1.417 557 HB VAL 97 HB VAL 97 -0.355 -4.337 -1.044 558 HG11 VAL 97 1HG1 VAL 97 -2.172 -4.339 -2.685 559 HG12 VAL 97 2HG1 VAL 97 -1.886 -6.050 -3.003 560 HG13 VAL 97 3HG1 VAL 97 -0.652 -4.859 -3.413 561 HG21 VAL 97 3HG2 VAL 97 -2.107 -6.652 -0.319 562 HG22 VAL 97 1HG2 VAL 97 -2.787 -5.039 -0.531 563 HG23 VAL 97 2HG2 VAL 97 -1.544 -5.318 0.691 564 H GLU 98 H GLU 98 0.902 -8.008 -3.141 565 HA GLU 98 HA GLU 98 3.046 -6.355 -4.236 566 HB2 GLU 98 1HB GLU 98 2.346 -9.233 -4.317 567 HB3 GLU 98 2HB GLU 98 3.141 -8.584 -5.745 568 HG2 GLU 98 1HG GLU 98 5.093 -8.132 -4.623 569 HG3 GLU 98 2HG GLU 98 4.289 -8.007 -3.060 570 H ILE 99 H ILE 99 2.700 -5.050 -5.895 571 HA ILE 99 HA ILE 99 0.757 -5.833 -7.964 572 HB ILE 99 HB ILE 99 0.374 -3.188 -8.059 573 HG12 ILE 99 1HG1 ILE 99 0.643 -3.724 -5.094 574 HG13 ILE 99 2HG1 ILE 99 1.846 -2.857 -6.041 575 HG21 ILE 99 1HG2 ILE 99 -1.397 -4.811 -7.990 576 HG22 ILE 99 2HG2 ILE 99 -1.718 -3.563 -6.786 577 HG23 ILE 99 3HG2 ILE 99 -1.090 -5.134 -6.284 578 HD11 ILE 99 3HD1 ILE 99 0.728 -0.977 -5.748 579 HD12 ILE 99 1HD1 ILE 99 -0.464 -1.846 -4.781 580 HD13 ILE 99 2HD1 ILE 99 -0.693 -1.679 -6.522 581 H THR 100 H THR 100 1.070 -4.743 -10.022 582 HA THR 100 HA THR 100 3.839 -3.794 -10.384 583 HB THR 100 HB THR 100 2.302 -5.260 -12.519 584 HG1 THR 100 HG1 THR 100 3.549 -7.117 -11.827 585 HG21 THR 100 3HG2 THR 100 5.279 -5.080 -12.138 586 HG22 THR 100 1HG2 THR 100 4.376 -3.835 -12.999 587 HG23 THR 100 2HG2 THR 100 4.380 -5.494 -13.596 588 HA PRO 101 HA PRO 101 1.297 -0.306 -11.886 589 HB2 PRO 101 1HB PRO 101 3.162 1.588 -11.418 590 HB3 PRO 101 2HB PRO 101 2.144 0.931 -10.130 591 HG2 PRO 101 1HG PRO 101 4.958 0.207 -10.873 592 HG3 PRO 101 2HG PRO 101 4.276 0.506 -9.267 593 HD2 PRO 101 1HD PRO 101 4.662 -1.985 -10.239 594 HD3 PRO 101 2HD PRO 101 3.322 -1.590 -9.142 595 H GLU 102 H GLU 102 1.270 -0.765 -14.087 596 HA GLU 102 HA GLU 102 3.736 -0.402 -15.617 597 HB2 GLU 102 1HB GLU 102 1.022 -1.417 -16.468 598 HB3 GLU 102 2HB GLU 102 2.432 -1.323 -17.511 599 HG2 GLU 102 1HG GLU 102 3.260 -3.231 -16.727 600 HG3 GLU 102 2HG GLU 102 2.982 -2.758 -15.052 601 H GLN 103 H GLN 103 1.555 1.660 -14.491 602 HA GLN 103 HA GLN 103 1.755 3.409 -16.842 603 HB2 GLN 103 1HB GLN 103 -0.650 2.357 -15.724 604 HB3 GLN 103 2HB GLN 103 -0.608 4.083 -15.396 605 HG2 GLN 103 1HG GLN 103 -0.460 4.610 -17.697 606 HG3 GLN 103 2HG GLN 103 -0.146 2.930 -18.131 607 HE21 GLN 103 2HE2 GLN 103 -1.814 1.803 -18.831 608 HE22 GLN 103 1HE2 GLN 103 -3.477 2.178 -18.563 609 H ALA 104 H ALA 104 2.431 5.441 -16.414 610 HA ALA 104 HA ALA 104 3.115 6.069 -13.655 611 HB1 ALA 104 3HB ALA 104 4.902 7.023 -14.555 612 HB2 ALA 104 1HB ALA 104 3.879 8.144 -15.456 613 HB3 ALA 104 2HB ALA 104 4.309 6.584 -16.159 614 H GLY 105 H GLY 105 2.052 7.466 -12.420 615 HA2 GLY 105 1HA GLY 105 0.918 9.861 -13.032 616 HA3 GLY 105 2HA GLY 105 -0.349 8.709 -13.416 617 H GLU 106 H GLU 106 -1.643 9.676 -11.784 618 HA GLU 106 HA GLU 106 -0.764 9.223 -9.025 619 HB2 GLU 106 1HB GLU 106 -2.498 11.189 -10.338 620 HB3 GLU 106 2HB GLU 106 -3.162 10.546 -8.842 621 HG2 GLU 106 1HG GLU 106 -1.446 11.403 -7.555 622 HG3 GLU 106 2HG GLU 106 -0.343 11.524 -8.924 623 H PHE 107 H PHE 107 -1.561 7.644 -7.850 624 HA PHE 107 HA PHE 107 -4.054 6.314 -8.715 625 HB2 PHE 107 1HB PHE 107 -1.519 5.121 -7.579 626 HB3 PHE 107 2HB PHE 107 -3.031 4.227 -7.682 627 HD1 PHE 107 HD1 PHE 107 -0.266 5.701 -9.570 628 HD2 PHE 107 HD2 PHE 107 -3.875 3.467 -9.798 629 HE1 PHE 107 HE1 PHE 107 0.280 5.059 -11.884 630 HE2 PHE 107 HE2 PHE 107 -3.338 2.820 -12.110 631 HZ PHE 107 HZ PHE 107 -1.256 3.617 -13.156 632 H SER 108 H SER 108 -4.974 4.958 -6.739 633 HA SER 108 HA SER 108 -4.455 6.196 -4.175 634 HB2 SER 108 1HB SER 108 -6.991 6.710 -5.703 635 HB3 SER 108 2HB SER 108 -6.972 6.750 -3.940 636 HG SER 108 HG SER 108 -4.946 8.169 -5.182 637 H PHE 109 H PHE 109 -5.554 5.226 -2.404 638 HA PHE 109 HA PHE 109 -7.018 2.753 -2.896 639 HB2 PHE 109 1HB PHE 109 -5.568 1.465 -1.336 640 HB3 PHE 109 2HB PHE 109 -4.752 1.926 -2.824 641 HD1 PHE 109 HD2 PHE 109 -3.038 3.702 -2.793 642 HD2 PHE 109 HD1 PHE 109 -4.827 2.248 0.785 643 HE1 PHE 109 HE2 PHE 109 -1.206 4.687 -1.481 644 HE2 PHE 109 HE1 PHE 109 -2.996 3.227 2.103 645 HZ PHE 109 HZ PHE 109 -1.183 4.449 0.971 646 H ALA 110 H ALA 110 -8.415 2.182 -1.242 647 HA ALA 110 HA ALA 110 -8.292 3.422 1.349 648 HB1 ALA 110 3HB ALA 110 -9.835 4.686 -0.761 649 HB2 ALA 110 1HB ALA 110 -9.403 5.288 0.840 650 HB3 ALA 110 2HB ALA 110 -10.825 4.265 0.637 651 H CYS 111 H CYS 111 -10.544 3.015 2.508 652 HA CYS 111 HA CYS 111 -11.282 0.243 1.872 653 HB2 CYS 111 1HB CYS 111 -10.334 0.451 4.084 654 HB3 CYS 111 2HB CYS 111 -11.431 1.771 4.476 655 HG CYS 111 HG CYS 111 -12.321 -0.398 5.916 656 H GLY 112 H GLY 112 -13.269 -0.201 1.192 657 HA2 GLY 112 1HA GLY 112 -15.574 -0.051 0.955 658 HA3 GLY 112 2HA GLY 112 -15.561 1.346 2.015 659 H MET 113 H MET 113 -13.300 2.039 -0.233 660 HA MET 113 HA MET 113 -13.169 3.472 -1.984 661 HB2 MET 113 1HB MET 113 -15.387 1.654 -2.670 662 HB3 MET 113 2HB MET 113 -15.349 3.160 -3.577 663 HG2 MET 113 1HG MET 113 -13.303 2.677 -4.545 664 HG3 MET 113 2HG MET 113 -12.881 1.498 -3.304 665 HE1 MET 113 3HE MET 113 -13.287 -0.935 -3.418 666 HE2 MET 113 1HE MET 113 -14.569 -1.721 -4.340 667 HE3 MET 113 2HE MET 113 -14.976 -0.629 -3.017 668 H ASN 114 H ASN 114 -14.276 4.542 0.366 669 HA ASN 114 HA ASN 114 -15.606 6.862 -0.725 670 HB2 ASN 114 1HB ASN 114 -17.178 4.799 0.419 671 HB3 ASN 114 2HB ASN 114 -17.160 6.130 1.572 672 HD21 ASN 114 2HD2 ASN 114 -17.208 5.927 -1.974 673 HD22 ASN 114 1HD2 ASN 114 -18.596 6.945 -2.171 674 H MET 115 H MET 115 -14.711 5.173 2.275 675 HA MET 115 HA MET 115 -14.016 7.727 3.517 676 HB2 MET 115 1HB MET 115 -15.046 5.257 4.476 677 HB3 MET 115 2HB MET 115 -13.473 5.498 5.222 678 HG2 MET 115 1HG MET 115 -15.414 7.753 5.198 679 HG3 MET 115 2HG MET 115 -15.658 6.422 6.327 680 HE1 MET 115 3HE MET 115 -13.291 5.462 7.609 681 HE2 MET 115 1HE MET 115 -14.512 6.266 8.593 682 HE3 MET 115 2HE MET 115 -12.808 6.661 8.809 683 H MET 116 H MET 116 -12.013 7.232 5.163 684 HA MET 116 HA MET 116 -9.773 7.005 5.423 685 HB2 MET 116 1HB MET 116 -9.957 5.027 3.144 686 HB3 MET 116 2HB MET 116 -8.567 5.248 4.197 687 HG2 MET 116 1HG MET 116 -11.263 4.128 4.881 688 HG3 MET 116 2HG MET 116 -9.686 3.347 4.996 689 HE1 MET 116 3HE MET 116 -8.002 4.384 7.898 690 HE2 MET 116 1HE MET 116 -8.018 5.952 7.090 691 HE3 MET 116 2HE MET 116 -7.834 4.473 6.144 692 H HIS 117 H HIS 117 -7.594 7.030 3.974 693 HA HIS 117 HA HIS 117 -7.843 8.609 1.574 694 HB2 HIS 117 1HB HIS 117 -7.600 9.932 4.106 695 HB3 HIS 117 2HB HIS 117 -6.132 10.203 3.172 696 HD1 HIS 117 HD1 HIS 117 -9.776 10.101 2.062 697 HD2 HIS 117 HD2 HIS 117 -6.473 12.633 2.025 698 HE1 HIS 117 HE1 HIS 117 -10.497 12.141 0.772 699 H GLY 118 H GLY 118 -6.481 7.414 0.389 700 HA2 GLY 118 1HA GLY 118 -3.667 7.311 1.242 701 HA3 GLY 118 2HA GLY 118 -4.463 5.814 0.767 702 H LYS 119 H LYS 119 -2.389 8.050 -0.355 703 HA LYS 119 HA LYS 119 -3.384 7.797 -3.124 704 HB2 LYS 119 1HB LYS 119 -3.249 10.131 -1.969 705 HB3 LYS 119 2HB LYS 119 -1.526 9.992 -2.286 706 HG2 LYS 119 1HG LYS 119 -1.843 9.982 -4.611 707 HG3 LYS 119 2HG LYS 119 -3.572 9.658 -4.454 708 HD2 LYS 119 1HD LYS 119 -3.858 11.862 -4.693 709 HD3 LYS 119 2HD LYS 119 -3.238 12.005 -3.046 710 HE2 LYS 119 1HE LYS 119 -1.102 12.580 -3.768 711 HE3 LYS 119 2HE LYS 119 -1.361 11.910 -5.378 712 HZ1 LYS 119 3HZ LYS 119 -1.556 14.531 -4.707 713 HZ2 LYS 119 1HZ LYS 119 -3.176 14.040 -4.746 714 HZ3 LYS 119 2HZ LYS 119 -2.194 13.829 -6.115 715 H MET 120 H MET 120 -1.865 7.489 -4.786 716 HA MET 120 HA MET 120 0.854 6.731 -3.960 717 HB2 MET 120 1HB MET 120 -0.485 4.674 -4.097 718 HB3 MET 120 2HB MET 120 -0.956 5.084 -5.737 719 HG2 MET 120 1HG MET 120 1.789 5.163 -5.844 720 HG3 MET 120 2HG MET 120 1.464 3.820 -4.750 721 HE1 MET 120 3HE MET 120 -0.811 1.961 -5.746 722 HE2 MET 120 1HE MET 120 0.873 1.682 -5.299 723 HE3 MET 120 2HE MET 120 0.248 1.044 -6.821 724 H ILE 121 H ILE 121 2.454 7.239 -5.418 725 HA ILE 121 HA ILE 121 1.571 8.401 -7.987 726 HB ILE 121 HB ILE 121 3.763 9.434 -6.176 727 HG12 ILE 121 1HG1 ILE 121 2.134 11.541 -6.821 728 HG13 ILE 121 2HG1 ILE 121 0.980 10.214 -6.733 729 HG21 ILE 121 1HG2 ILE 121 4.104 11.173 -7.901 730 HG22 ILE 121 2HG2 ILE 121 3.005 10.296 -8.966 731 HG23 ILE 121 3HG2 ILE 121 4.526 9.557 -8.466 732 HD11 ILE 121 3HD1 ILE 121 2.937 10.841 -4.545 733 HD12 ILE 121 1HD1 ILE 121 1.543 9.761 -4.481 734 HD13 ILE 121 2HD1 ILE 121 1.303 11.503 -4.619 735 H VAL 122 H VAL 122 2.353 7.356 -9.680 736 HA VAL 122 HA VAL 122 4.748 5.685 -9.328 737 HB VAL 122 HB VAL 122 2.611 5.572 -11.464 738 HG11 VAL 122 1HG1 VAL 122 3.714 3.805 -12.467 739 HG12 VAL 122 2HG1 VAL 122 4.683 3.460 -11.034 740 HG13 VAL 122 3HG1 VAL 122 5.052 4.869 -12.029 741 HG21 VAL 122 3HG2 VAL 122 2.073 4.818 -9.078 742 HG22 VAL 122 1HG2 VAL 122 3.195 3.492 -9.380 743 HG23 VAL 122 2HG2 VAL 122 1.758 3.676 -10.384 744 H GLU 123 H GLU 123 6.607 6.295 -10.197 745 HA GLU 123 HA GLU 123 6.720 8.617 -11.923 746 HB2 GLU 123 1HB GLU 123 8.853 6.874 -10.689 747 HB3 GLU 123 2HB GLU 123 9.217 8.227 -11.750 748 HG2 GLU 123 1HG GLU 123 7.759 9.582 -10.072 749 HG3 GLU 123 2HG GLU 123 8.100 8.236 -8.985 Start of MODEL 16 1 HA2 GLY 26 1HA GLY 26 0.221 20.502 1.451 2 HA3 GLY 26 2HA GLY 26 -0.402 19.161 2.401 3 H ALA 27 H ALA 27 0.520 17.816 -0.382 4 HA ALA 27 HA ALA 27 2.217 16.461 -1.050 5 HB1 ALA 27 3HB ALA 27 3.336 18.613 -1.412 6 HB2 ALA 27 1HB ALA 27 4.476 17.343 -0.965 7 HB3 ALA 27 2HB ALA 27 3.984 18.545 0.228 8 H MET 28 H MET 28 4.764 16.874 0.955 9 HA MET 28 HA MET 28 5.772 15.588 2.531 10 HB2 MET 28 1HB MET 28 3.239 16.396 3.596 11 HB3 MET 28 2HB MET 28 3.621 14.786 4.190 12 HG2 MET 28 1HG MET 28 4.397 16.609 5.667 13 HG3 MET 28 2HG MET 28 5.688 15.544 5.115 14 HE1 MET 28 3HE MET 28 4.546 19.067 5.625 15 HE2 MET 28 1HE MET 28 3.810 18.888 4.031 16 HE3 MET 28 2HE MET 28 5.165 19.994 4.257 17 H GLY 29 H GLY 29 5.383 14.140 0.320 18 HA2 GLY 29 1HA GLY 29 3.968 11.682 0.892 19 HA3 GLY 29 2HA GLY 29 4.884 12.044 -0.560 20 H GLN 30 H GLN 30 5.160 9.585 0.296 21 HA GLN 30 HA GLN 30 7.806 9.568 1.603 22 HB2 GLN 30 1HB GLN 30 5.376 8.216 2.396 23 HB3 GLN 30 2HB GLN 30 6.656 7.057 2.069 24 HG2 GLN 30 1HG GLN 30 7.243 7.432 4.190 25 HG3 GLN 30 2HG GLN 30 7.983 8.900 3.555 26 HE21 GLN 30 2HE2 GLN 30 6.603 10.847 3.553 27 HE22 GLN 30 1HE2 GLN 30 5.489 11.056 4.858 28 H LYS 31 H LYS 31 9.377 8.558 0.531 29 HA LYS 31 HA LYS 31 8.732 7.283 -2.005 30 HB2 LYS 31 1HB LYS 31 10.977 8.747 -0.919 31 HB3 LYS 31 2HB LYS 31 11.511 7.224 -1.614 32 HG2 LYS 31 1HG LYS 31 10.974 7.840 -3.733 33 HG3 LYS 31 2HG LYS 31 9.634 8.862 -3.216 34 HD2 LYS 31 1HD LYS 31 12.345 9.725 -2.407 35 HD3 LYS 31 2HD LYS 31 11.961 9.840 -4.125 36 HE2 LYS 31 1HE LYS 31 10.109 11.265 -3.701 37 HE3 LYS 31 2HE LYS 31 10.184 10.956 -1.968 38 HZ1 LYS 31 3HZ LYS 31 11.294 13.074 -3.217 39 HZ2 LYS 31 1HZ LYS 31 12.620 12.032 -3.065 40 HZ3 LYS 31 2HZ LYS 31 11.752 12.503 -1.692 41 H ALA 32 H ALA 32 8.678 5.150 -2.287 42 HA ALA 32 HA ALA 32 9.144 3.358 -0.122 43 HB1 ALA 32 3HB ALA 32 7.414 2.860 -1.704 44 HB2 ALA 32 1HB ALA 32 8.642 1.595 -1.801 45 HB3 ALA 32 2HB ALA 32 8.571 2.852 -3.037 46 H GLN 33 H GLN 33 10.707 1.702 0.058 47 HA GLN 33 HA GLN 33 13.301 2.487 -0.890 48 HB2 GLN 33 1HB GLN 33 14.188 0.798 0.520 49 HB3 GLN 33 2HB GLN 33 12.852 1.529 1.392 50 HG2 GLN 33 1HG GLN 33 11.433 -0.386 0.643 51 HG3 GLN 33 2HG GLN 33 12.892 -1.133 -0.004 52 HE21 GLN 33 2HE2 GLN 33 10.880 -1.077 2.566 53 HE22 GLN 33 1HE2 GLN 33 11.950 -1.660 3.790 54 H GLN 34 H GLN 34 14.602 1.512 -2.360 55 HA GLN 34 HA GLN 34 13.278 -0.340 -4.197 56 HB2 GLN 34 1HB GLN 34 15.799 1.299 -4.530 57 HB3 GLN 34 2HB GLN 34 15.093 0.268 -5.767 58 HG2 GLN 34 1HG GLN 34 13.946 2.031 -6.459 59 HG3 GLN 34 2HG GLN 34 13.014 1.931 -4.965 60 HE21 GLN 34 2HE2 GLN 34 13.021 3.660 -3.703 61 HE22 GLN 34 1HE2 GLN 34 14.180 4.943 -3.761 62 H LYS 35 H LYS 35 13.658 -2.424 -3.966 63 HA LYS 35 HA LYS 35 16.093 -3.323 -2.616 64 HB2 LYS 35 1HB LYS 35 13.716 -4.978 -3.463 65 HB3 LYS 35 2HB LYS 35 14.980 -5.435 -2.335 66 HG2 LYS 35 1HG LYS 35 13.569 -2.998 -1.573 67 HG3 LYS 35 2HG LYS 35 12.536 -4.425 -1.664 68 HD2 LYS 35 1HD LYS 35 14.560 -5.511 -0.333 69 HD3 LYS 35 2HD LYS 35 14.814 -3.835 0.153 70 HE2 LYS 35 1HE LYS 35 13.320 -4.272 1.761 71 HE3 LYS 35 2HE LYS 35 12.119 -4.122 0.481 72 HZ1 LYS 35 3HZ LYS 35 11.591 -6.147 1.392 73 HZ2 LYS 35 1HZ LYS 35 13.203 -6.551 1.730 74 HZ3 LYS 35 2HZ LYS 35 12.631 -6.636 0.134 75 H ASN 36 H ASN 36 15.885 -6.001 -3.823 76 HA ASN 36 HA ASN 36 17.593 -5.511 -6.097 77 HB2 ASN 36 1HB ASN 36 17.690 -7.381 -4.200 78 HB3 ASN 36 2HB ASN 36 16.738 -8.268 -5.384 79 HD21 ASN 36 2HD2 ASN 36 17.660 -8.816 -7.356 80 HD22 ASN 36 1HD2 ASN 36 19.368 -8.773 -7.610 81 H GLY 37 H GLY 37 15.774 -4.499 -7.359 82 HA2 GLY 37 1HA GLY 37 14.837 -4.923 -9.512 83 HA3 GLY 37 2HA GLY 37 14.567 -6.589 -9.036 84 H TYR 38 H TYR 38 13.499 -5.057 -6.424 85 HA TYR 38 HA TYR 38 10.884 -4.310 -7.517 86 HB2 TYR 38 1HB TYR 38 9.666 -5.711 -5.993 87 HB3 TYR 38 2HB TYR 38 10.817 -6.726 -6.849 88 HD1 TYR 38 HD2 TYR 38 12.866 -7.538 -5.653 89 HD2 TYR 38 HD1 TYR 38 9.742 -5.477 -3.628 90 HE1 TYR 38 HE2 TYR 38 13.706 -8.384 -3.503 91 HE2 TYR 38 HE1 TYR 38 10.574 -6.319 -1.475 92 HH TYR 38 HH TYR 38 12.499 -8.816 -1.091 93 H GLN 39 H GLN 39 9.479 -3.261 -5.824 94 HA GLN 39 HA GLN 39 11.185 -1.741 -3.954 95 HB2 GLN 39 1HB GLN 39 8.616 -0.508 -4.628 96 HB3 GLN 39 2HB GLN 39 10.220 0.202 -4.557 97 HG2 GLN 39 1HG GLN 39 10.331 -1.382 -6.805 98 HG3 GLN 39 2HG GLN 39 8.695 -0.728 -6.841 99 HE21 GLN 39 2HE2 GLN 39 11.979 -0.114 -7.390 100 HE22 GLN 39 1HE2 GLN 39 11.847 1.566 -7.768 101 H GLU 40 H GLU 40 10.285 -1.113 -1.936 102 HA GLU 40 HA GLU 40 7.838 -2.482 -1.097 103 HB2 GLU 40 1HB GLU 40 9.864 -3.963 -0.712 104 HB3 GLU 40 2HB GLU 40 10.394 -2.784 0.477 105 HG2 GLU 40 1HG GLU 40 7.984 -3.186 1.455 106 HG3 GLU 40 2HG GLU 40 8.130 -4.704 0.573 107 H ILE 41 H ILE 41 6.740 -1.453 0.514 108 HA ILE 41 HA ILE 41 8.045 0.741 1.950 109 HB ILE 41 HB ILE 41 7.087 1.982 0.181 110 HG12 ILE 41 1HG1 ILE 41 4.754 2.626 1.658 111 HG13 ILE 41 2HG1 ILE 41 5.990 2.175 2.823 112 HG21 ILE 41 1HG2 ILE 41 5.427 -0.105 -0.225 113 HG22 ILE 41 2HG2 ILE 41 5.231 1.480 -0.976 114 HG23 ILE 41 3HG2 ILE 41 4.310 1.071 0.474 115 HD11 ILE 41 3HD1 ILE 41 6.123 4.516 2.519 116 HD12 ILE 41 1HD1 ILE 41 6.116 4.357 0.762 117 HD13 ILE 41 2HD1 ILE 41 7.514 3.813 1.691 118 H ARG 42 H ARG 42 7.510 0.803 4.040 119 HA ARG 42 HA ARG 42 5.464 -1.027 5.001 120 HB2 ARG 42 1HB ARG 42 7.921 -0.561 5.944 121 HB3 ARG 42 2HB ARG 42 7.048 0.639 6.888 122 HG2 ARG 42 1HG ARG 42 5.855 -0.941 8.053 123 HG3 ARG 42 2HG ARG 42 6.019 -2.156 6.783 124 HD2 ARG 42 1HD ARG 42 8.622 -1.714 7.524 125 HD3 ARG 42 2HD ARG 42 7.762 -1.557 9.054 126 HE ARG 42 HE ARG 42 7.044 -3.796 8.848 127 HH11 ARG 42 1HH1 ARG 42 9.183 -2.838 6.290 128 HH12 ARG 42 2HH1 ARG 42 9.550 -4.462 5.826 129 HH21 ARG 42 1HH2 ARG 42 7.524 -5.914 8.240 130 HH22 ARG 42 2HH2 ARG 42 8.623 -6.191 6.925 131 H VAL 43 H VAL 43 3.465 -0.302 5.088 132 HA VAL 43 HA VAL 43 2.965 2.521 5.747 133 HB VAL 43 HB VAL 43 1.071 0.470 4.573 134 HG11 VAL 43 1HG1 VAL 43 0.524 2.913 5.840 135 HG12 VAL 43 2HG1 VAL 43 -0.579 1.925 4.882 136 HG13 VAL 43 3HG1 VAL 43 0.355 3.209 4.108 137 HG21 VAL 43 3HG2 VAL 43 2.986 1.133 3.107 138 HG22 VAL 43 1HG2 VAL 43 2.396 2.793 3.189 139 HG23 VAL 43 2HG2 VAL 43 1.394 1.536 2.463 140 H GLU 44 H GLU 44 2.693 2.851 7.845 141 HA GLU 44 HA GLU 44 1.784 0.831 9.653 142 HB2 GLU 44 1HB GLU 44 3.340 2.937 10.028 143 HB3 GLU 44 2HB GLU 44 1.813 3.721 10.407 144 HG2 GLU 44 1HG GLU 44 2.244 3.018 12.483 145 HG3 GLU 44 2HG GLU 44 1.600 1.483 11.901 146 H VAL 45 H VAL 45 -0.234 0.295 10.116 147 HA VAL 45 HA VAL 45 -2.395 2.109 9.298 148 HB VAL 45 HB VAL 45 -2.366 -0.876 9.739 149 HG11 VAL 45 1HG1 VAL 45 -4.483 0.093 10.559 150 HG12 VAL 45 2HG1 VAL 45 -4.702 -0.929 9.139 151 HG13 VAL 45 3HG1 VAL 45 -4.730 0.826 8.974 152 HG21 VAL 45 3HG2 VAL 45 -1.646 0.569 7.546 153 HG22 VAL 45 1HG2 VAL 45 -3.349 0.245 7.223 154 HG23 VAL 45 2HG2 VAL 45 -2.237 -1.093 7.512 155 H MET 46 H MET 46 -2.628 3.434 11.027 156 HA MET 46 HA MET 46 -3.871 2.265 13.386 157 HB2 MET 46 1HB MET 46 -2.464 3.918 14.811 158 HB3 MET 46 2HB MET 46 -1.748 2.388 14.330 159 HG2 MET 46 1HG MET 46 -0.758 3.670 12.360 160 HG3 MET 46 2HG MET 46 -1.213 5.125 13.243 161 HE1 MET 46 3HE MET 46 -0.540 4.785 16.257 162 HE2 MET 46 1HE MET 46 -0.090 6.090 15.158 163 HE3 MET 46 2HE MET 46 1.135 5.335 16.177 164 H GLY 47 H GLY 47 -5.787 3.179 12.636 165 HA2 GLY 47 1HA GLY 47 -7.398 4.858 12.841 166 HA3 GLY 47 2HA GLY 47 -6.121 5.997 13.255 167 H GLY 48 H GLY 48 -5.035 4.420 10.642 168 HA2 GLY 48 1HA GLY 48 -6.322 5.127 8.375 169 HA3 GLY 48 2HA GLY 48 -5.545 6.624 8.862 170 H TYR 49 H TYR 49 -4.060 6.735 7.195 171 HA TYR 49 HA TYR 49 -2.055 4.568 7.120 172 HB2 TYR 49 1HB TYR 49 -2.831 6.426 4.857 173 HB3 TYR 49 2HB TYR 49 -1.661 5.118 4.765 174 HD1 TYR 49 HD2 TYR 49 -2.845 2.800 5.816 175 HD2 TYR 49 HD1 TYR 49 -4.770 5.968 3.725 176 HE1 TYR 49 HE2 TYR 49 -4.644 1.262 5.150 177 HE2 TYR 49 HE1 TYR 49 -6.572 4.438 3.056 178 HH TYR 49 HH TYR 49 -6.824 1.210 4.352 179 H THR 50 H THR 50 -0.000 5.130 7.645 180 HA THR 50 HA THR 50 0.583 7.759 8.521 181 HB THR 50 HB THR 50 2.396 5.394 8.045 182 HG1 THR 50 HG1 THR 50 1.601 6.703 10.447 183 HG21 THR 50 3HG2 THR 50 3.657 7.512 7.715 184 HG22 THR 50 1HG2 THR 50 4.184 6.606 9.134 185 HG23 THR 50 2HG2 THR 50 3.152 8.023 9.327 186 HA PRO 51 HA PRO 51 3.101 8.493 4.546 187 HB2 PRO 51 1HB PRO 51 3.257 6.631 2.602 188 HB3 PRO 51 2HB PRO 51 4.363 6.638 3.981 189 HG2 PRO 51 1HG PRO 51 1.921 4.971 3.522 190 HG3 PRO 51 2HG PRO 51 3.500 4.490 4.171 191 HD2 PRO 51 1HD PRO 51 1.333 4.995 5.745 192 HD3 PRO 51 2HD PRO 51 3.008 5.243 6.274 193 H GLU 52 H GLU 52 1.351 9.881 4.200 194 HA GLU 52 HA GLU 52 -1.132 9.315 3.158 195 HB2 GLU 52 1HB GLU 52 -1.064 11.707 2.256 196 HB3 GLU 52 2HB GLU 52 -0.839 11.483 3.984 197 HG2 GLU 52 1HG GLU 52 1.704 11.410 2.690 198 HG3 GLU 52 2HG GLU 52 0.823 12.845 2.169 199 H LEU 53 H LEU 53 1.833 9.970 1.332 200 HA LEU 53 HA LEU 53 0.513 8.827 -1.025 201 HB2 LEU 53 1HB LEU 53 2.449 10.738 -1.884 202 HB3 LEU 53 2HB LEU 53 0.739 10.666 -2.242 203 HG LEU 53 HG LEU 53 1.537 11.842 0.367 204 HD11 LEU 53 1HD1 LEU 53 2.962 13.261 -0.621 205 HD12 LEU 53 2HD1 LEU 53 1.514 14.025 -1.274 206 HD13 LEU 53 3HD1 LEU 53 2.402 12.848 -2.242 207 HD21 LEU 53 3HD2 LEU 53 -0.471 12.828 -1.641 208 HD22 LEU 53 1HD2 LEU 53 -0.421 13.110 0.098 209 HD23 LEU 53 2HD2 LEU 53 -0.840 11.514 -0.525 210 H ILE 54 H ILE 54 1.588 7.079 -1.676 211 HA ILE 54 HA ILE 54 4.415 6.801 -0.939 212 HB ILE 54 HB ILE 54 4.088 4.413 -1.801 213 HG12 ILE 54 1HG1 ILE 54 1.188 5.255 -1.594 214 HG13 ILE 54 2HG1 ILE 54 2.029 4.740 -3.046 215 HG21 ILE 54 1HG2 ILE 54 3.826 5.519 0.661 216 HG22 ILE 54 2HG2 ILE 54 3.805 3.787 0.329 217 HG23 ILE 54 3HG2 ILE 54 2.287 4.672 0.500 218 HD11 ILE 54 3HD1 ILE 54 2.422 2.627 -1.354 219 HD12 ILE 54 1HD1 ILE 54 1.184 2.732 -2.607 220 HD13 ILE 54 2HD1 ILE 54 0.794 3.163 -0.941 221 H VAL 55 H VAL 55 6.003 7.015 -2.368 222 HA VAL 55 HA VAL 55 5.293 7.331 -5.195 223 HB VAL 55 HB VAL 55 7.850 8.030 -3.742 224 HG11 VAL 55 1HG1 VAL 55 7.373 7.673 -6.519 225 HG12 VAL 55 2HG1 VAL 55 8.838 8.240 -5.716 226 HG13 VAL 55 3HG1 VAL 55 7.601 9.395 -6.215 227 HG21 VAL 55 3HG2 VAL 55 5.664 9.806 -4.816 228 HG22 VAL 55 1HG2 VAL 55 7.145 10.341 -4.022 229 HG23 VAL 55 2HG2 VAL 55 5.938 9.429 -3.116 230 H LEU 56 H LEU 56 5.737 5.848 -6.664 231 HA LEU 56 HA LEU 56 7.876 3.889 -6.167 232 HB2 LEU 56 1HB LEU 56 5.079 3.232 -7.107 233 HB3 LEU 56 2HB LEU 56 6.413 2.096 -7.049 234 HG LEU 56 HG LEU 56 5.803 3.450 -4.499 235 HD11 LEU 56 1HD1 LEU 56 3.954 1.700 -4.137 236 HD12 LEU 56 2HD1 LEU 56 3.842 1.672 -5.897 237 HD13 LEU 56 3HD1 LEU 56 3.555 3.175 -5.019 238 HD21 LEU 56 3HD2 LEU 56 7.408 1.442 -5.165 239 HD22 LEU 56 1HD2 LEU 56 5.942 0.512 -4.850 240 HD23 LEU 56 2HD2 LEU 56 6.623 1.538 -3.589 241 H LYS 57 H LYS 57 8.473 2.664 -8.178 242 HA LYS 57 HA LYS 57 8.579 4.516 -10.426 243 HB2 LYS 57 1HB LYS 57 10.218 2.342 -9.421 244 HB3 LYS 57 2HB LYS 57 9.931 2.183 -11.148 245 HG2 LYS 57 1HG LYS 57 10.658 4.889 -10.320 246 HG3 LYS 57 2HG LYS 57 11.901 3.679 -10.000 247 HD2 LYS 57 1HD LYS 57 12.104 3.116 -12.255 248 HD3 LYS 57 2HD LYS 57 10.536 3.813 -12.666 249 HE2 LYS 57 1HE LYS 57 11.455 6.060 -12.181 250 HE3 LYS 57 2HE LYS 57 13.031 5.322 -11.889 251 HZ1 LYS 57 3HZ LYS 57 12.849 4.421 -14.217 252 HZ2 LYS 57 1HZ LYS 57 13.059 6.096 -14.093 253 HZ3 LYS 57 2HZ LYS 57 11.526 5.460 -14.448 254 H LYS 58 H LYS 58 8.562 3.281 -12.686 255 HA LYS 58 HA LYS 58 5.983 1.871 -12.778 256 HB2 LYS 58 1HB LYS 58 6.218 4.080 -13.977 257 HB3 LYS 58 2HB LYS 58 7.344 3.284 -15.070 258 HG2 LYS 58 1HG LYS 58 5.555 1.670 -15.656 259 HG3 LYS 58 2HG LYS 58 4.442 2.602 -14.658 260 HD2 LYS 58 1HD LYS 58 3.995 3.758 -16.518 261 HD3 LYS 58 2HD LYS 58 5.567 4.517 -16.279 262 HE2 LYS 58 1HE LYS 58 6.175 3.704 -18.257 263 HE3 LYS 58 2HE LYS 58 6.111 2.092 -17.550 264 HZ1 LYS 58 3HZ LYS 58 4.756 2.058 -19.463 265 HZ2 LYS 58 1HZ LYS 58 3.974 3.499 -19.047 266 HZ3 LYS 58 2HZ LYS 58 3.681 2.088 -18.149 267 H SER 59 H SER 59 5.677 0.068 -14.064 268 HA SER 59 HA SER 59 6.146 -1.921 -15.041 269 HB2 SER 59 1HB SER 59 7.135 -0.590 -16.846 270 HB3 SER 59 2HB SER 59 8.677 -0.553 -15.989 271 HG SER 59 HG SER 59 8.524 -2.943 -16.104 272 H VAL 60 H VAL 60 7.210 -1.150 -12.322 273 HA VAL 60 HA VAL 60 9.144 -3.361 -12.068 274 HB VAL 60 HB VAL 60 10.127 -1.056 -11.726 275 HG11 VAL 60 1HG1 VAL 60 9.701 0.048 -9.576 276 HG12 VAL 60 2HG1 VAL 60 8.416 -1.114 -9.251 277 HG13 VAL 60 3HG1 VAL 60 8.269 0.007 -10.604 278 HG21 VAL 60 3HG2 VAL 60 10.228 -3.015 -9.441 279 HG22 VAL 60 1HG2 VAL 60 11.350 -1.670 -9.653 280 HG23 VAL 60 2HG2 VAL 60 11.286 -2.962 -10.851 281 HA PRO 61 HA PRO 61 6.113 -5.137 -9.322 282 HB2 PRO 61 1HB PRO 61 7.811 -6.793 -7.926 283 HB3 PRO 61 2HB PRO 61 7.120 -7.179 -9.505 284 HG2 PRO 61 1HG PRO 61 9.829 -6.120 -8.826 285 HG3 PRO 61 2HG PRO 61 9.367 -7.322 -10.044 286 HD2 PRO 61 1HD PRO 61 9.944 -4.768 -10.692 287 HD3 PRO 61 2HD PRO 61 8.725 -5.713 -11.571 288 H ALA 62 H ALA 62 5.305 -4.040 -7.640 289 HA ALA 62 HA ALA 62 7.171 -3.197 -5.514 290 HB1 ALA 62 3HB ALA 62 5.262 -1.640 -7.071 291 HB2 ALA 62 1HB ALA 62 6.647 -1.115 -6.114 292 HB3 ALA 62 2HB ALA 62 5.098 -1.419 -5.329 293 H ARG 63 H ARG 63 6.587 -3.575 -3.423 294 HA ARG 63 HA ARG 63 3.930 -4.763 -3.009 295 HB2 ARG 63 1HB ARG 63 4.809 -6.406 -1.544 296 HB3 ARG 63 2HB ARG 63 5.801 -6.428 -2.991 297 HG2 ARG 63 1HG ARG 63 7.315 -4.807 -1.582 298 HG3 ARG 63 2HG ARG 63 6.487 -5.587 -0.233 299 HD2 ARG 63 1HD ARG 63 7.137 -7.713 -1.825 300 HD3 ARG 63 2HD ARG 63 8.516 -6.641 -2.058 301 HE ARG 63 HE ARG 63 8.818 -6.682 0.363 302 HH11 ARG 63 1HH1 ARG 63 6.830 -9.177 -1.027 303 HH12 ARG 63 2HH1 ARG 63 7.075 -10.262 0.296 304 HH21 ARG 63 1HH2 ARG 63 9.120 -8.109 2.072 305 HH22 ARG 63 2HH2 ARG 63 8.361 -9.662 2.038 306 H ILE 64 H ILE 64 2.717 -3.910 -1.517 307 HA ILE 64 HA ILE 64 3.860 -1.838 0.225 308 HB ILE 64 HB ILE 64 0.917 -2.349 -0.053 309 HG12 ILE 64 1HG1 ILE 64 1.937 -2.200 -2.352 310 HG13 ILE 64 2HG1 ILE 64 0.759 -0.943 -1.990 311 HG21 ILE 64 1HG2 ILE 64 2.174 -0.686 1.562 312 HG22 ILE 64 2HG2 ILE 64 0.641 -0.254 0.804 313 HG23 ILE 64 3HG2 ILE 64 2.157 0.344 0.131 314 HD11 ILE 64 3HD1 ILE 64 3.471 -0.683 -2.823 315 HD12 ILE 64 1HD1 ILE 64 3.278 0.066 -1.236 316 HD13 ILE 64 2HD1 ILE 64 2.254 0.572 -2.582 317 H VAL 65 H VAL 65 4.341 -2.393 2.251 318 HA VAL 65 HA VAL 65 3.102 -4.753 3.449 319 HB VAL 65 HB VAL 65 5.217 -3.055 4.752 320 HG11 VAL 65 1HG1 VAL 65 4.460 -5.966 4.969 321 HG12 VAL 65 2HG1 VAL 65 4.183 -4.706 6.173 322 HG13 VAL 65 3HG1 VAL 65 5.827 -5.216 5.792 323 HG21 VAL 65 3HG2 VAL 65 6.878 -3.828 3.454 324 HG22 VAL 65 1HG2 VAL 65 5.600 -4.105 2.270 325 HG23 VAL 65 2HG2 VAL 65 6.148 -5.428 3.302 326 H PHE 66 H PHE 66 1.257 -4.474 4.532 327 HA PHE 66 HA PHE 66 0.761 -1.912 5.867 328 HB2 PHE 66 1HB PHE 66 -1.055 -4.194 5.095 329 HB3 PHE 66 2HB PHE 66 -1.593 -2.847 6.093 330 HD1 PHE 66 HD2 PHE 66 -1.197 -0.476 5.103 331 HD2 PHE 66 HD1 PHE 66 -1.233 -4.053 2.798 332 HE1 PHE 66 HE2 PHE 66 -1.653 0.839 3.076 333 HE2 PHE 66 HE1 PHE 66 -1.688 -2.744 0.765 334 HZ PHE 66 HZ PHE 66 -1.896 -0.293 0.904 335 H ASP 67 H ASP 67 1.222 -1.727 7.929 336 HA ASP 67 HA ASP 67 1.284 -4.119 9.640 337 HB2 ASP 67 1HB ASP 67 3.192 -2.280 9.371 338 HB3 ASP 67 2HB ASP 67 2.232 -1.449 10.589 339 H ARG 68 H ARG 68 -0.717 -4.477 10.458 340 HA ARG 68 HA ARG 68 -2.501 -2.319 11.095 341 HB2 ARG 68 1HB ARG 68 -2.749 -5.087 10.612 342 HB3 ARG 68 2HB ARG 68 -3.360 -4.802 12.235 343 HG2 ARG 68 1HG ARG 68 -4.383 -2.764 10.545 344 HG3 ARG 68 2HG ARG 68 -4.635 -4.320 9.752 345 HD2 ARG 68 1HD ARG 68 -5.265 -4.246 12.628 346 HD3 ARG 68 2HD ARG 68 -6.303 -3.260 11.600 347 HE ARG 68 HE ARG 68 -5.935 -5.904 10.580 348 HH11 ARG 68 1HH1 ARG 68 -7.762 -3.997 12.825 349 HH12 ARG 68 2HH1 ARG 68 -9.114 -5.076 12.822 350 HH21 ARG 68 1HH2 ARG 68 -7.687 -7.295 10.570 351 HH22 ARG 68 2HH2 ARG 68 -9.075 -6.937 11.555 352 H LYS 69 H LYS 69 -1.954 -1.071 12.746 353 HA LYS 69 HA LYS 69 -1.044 -2.273 15.259 354 HB2 LYS 69 1HB LYS 69 0.377 -0.510 14.735 355 HB3 LYS 69 2HB LYS 69 -0.913 0.462 14.046 356 HG2 LYS 69 1HG LYS 69 -0.350 1.576 16.005 357 HG3 LYS 69 2HG LYS 69 -1.792 0.657 16.446 358 HD2 LYS 69 1HD LYS 69 0.062 -1.149 17.083 359 HD3 LYS 69 2HD LYS 69 1.026 0.313 17.301 360 HE2 LYS 69 1HE LYS 69 0.131 0.129 19.395 361 HE3 LYS 69 2HE LYS 69 -1.122 1.102 18.622 362 HZ1 LYS 69 3HZ LYS 69 -1.166 -1.767 19.300 363 HZ2 LYS 69 1HZ LYS 69 -2.182 -1.166 18.076 364 HZ3 LYS 69 2HZ LYS 69 -2.305 -0.571 19.665 365 H ASP 70 H ASP 70 -3.631 -0.292 13.914 366 HA ASP 70 HA ASP 70 -5.045 -0.389 16.486 367 HB2 ASP 70 1HB ASP 70 -4.641 1.782 15.074 368 HB3 ASP 70 2HB ASP 70 -6.009 1.197 14.132 369 HA PRO 71 HA PRO 71 -7.681 -3.517 14.695 370 HB2 PRO 71 1HB PRO 71 -9.263 -3.940 16.799 371 HB3 PRO 71 2HB PRO 71 -7.550 -4.380 16.847 372 HG2 PRO 71 1HG PRO 71 -8.912 -1.955 17.967 373 HG3 PRO 71 2HG PRO 71 -7.690 -2.996 18.725 374 HD2 PRO 71 1HD PRO 71 -7.123 -0.604 17.505 375 HD3 PRO 71 2HD PRO 71 -5.958 -1.934 17.660 376 H SER 72 H SER 72 -8.296 -0.765 13.986 377 HA SER 72 HA SER 72 -11.035 -0.190 14.518 378 HB2 SER 72 1HB SER 72 -9.555 1.615 13.884 379 HB3 SER 72 2HB SER 72 -9.166 0.818 12.359 380 HG SER 72 HG SER 72 -11.024 2.567 12.708 381 HA PRO 73 HA PRO 73 -12.969 -3.041 11.697 382 HB2 PRO 73 1HB PRO 73 -15.356 -1.740 11.411 383 HB3 PRO 73 2HB PRO 73 -14.938 -2.719 12.822 384 HG2 PRO 73 1HG PRO 73 -14.790 0.252 12.466 385 HG3 PRO 73 2HG PRO 73 -15.402 -0.678 13.849 386 HD2 PRO 73 1HD PRO 73 -12.956 0.424 13.879 387 HD3 PRO 73 2HD PRO 73 -13.266 -1.156 14.631 388 H CYS 74 H CYS 74 -12.729 0.394 11.027 389 HA CYS 74 HA CYS 74 -13.467 0.136 8.253 390 HB2 CYS 74 1HB CYS 74 -12.688 2.340 10.068 391 HB3 CYS 74 2HB CYS 74 -12.288 2.567 8.370 392 HG CYS 74 HG CYS 74 -15.416 1.509 8.804 393 H LEU 75 H LEU 75 -10.686 -0.508 10.025 394 HA LEU 75 HA LEU 75 -8.968 -0.200 7.652 395 HB2 LEU 75 1HB LEU 75 -8.403 -0.010 10.582 396 HB3 LEU 75 2HB LEU 75 -7.120 -0.469 9.480 397 HG LEU 75 HG LEU 75 -8.709 2.083 9.214 398 HD11 LEU 75 1HD1 LEU 75 -5.950 1.750 10.364 399 HD12 LEU 75 2HD1 LEU 75 -7.407 1.937 11.340 400 HD13 LEU 75 3HD1 LEU 75 -6.900 3.233 10.255 401 HD21 LEU 75 3HD2 LEU 75 -6.565 0.778 7.680 402 HD22 LEU 75 1HD2 LEU 75 -6.326 2.493 8.008 403 HD23 LEU 75 2HD2 LEU 75 -7.779 1.950 7.168 404 H ASP 76 H ASP 76 -10.799 -2.459 8.793 405 HA ASP 76 HA ASP 76 -9.074 -4.640 9.391 406 HB2 ASP 76 1HB ASP 76 -11.661 -4.271 9.797 407 HB3 ASP 76 2HB ASP 76 -11.798 -5.068 8.233 408 H GLN 77 H GLN 77 -10.443 -3.382 6.409 409 HA GLN 77 HA GLN 77 -8.883 -5.392 4.922 410 HB2 GLN 77 1HB GLN 77 -11.684 -4.413 4.424 411 HB3 GLN 77 2HB GLN 77 -10.713 -5.085 3.124 412 HG2 GLN 77 1HG GLN 77 -11.231 -7.139 3.748 413 HG3 GLN 77 2HG GLN 77 -10.606 -6.840 5.369 414 HE21 GLN 77 2HE2 GLN 77 -13.428 -6.901 3.351 415 HE22 GLN 77 1HE2 GLN 77 -14.587 -6.811 4.626 416 H ILE 78 H ILE 78 -8.287 -4.731 2.730 417 HA ILE 78 HA ILE 78 -8.264 -1.837 2.277 418 HB ILE 78 HB ILE 78 -6.118 -2.210 3.306 419 HG12 ILE 78 1HG1 ILE 78 -4.893 -2.078 0.736 420 HG13 ILE 78 2HG1 ILE 78 -6.465 -1.295 0.623 421 HG21 ILE 78 1HG2 ILE 78 -5.849 -4.468 1.344 422 HG22 ILE 78 2HG2 ILE 78 -5.738 -4.522 3.103 423 HG23 ILE 78 3HG2 ILE 78 -4.460 -3.754 2.162 424 HD11 ILE 78 3HD1 ILE 78 -5.907 0.228 2.368 425 HD12 ILE 78 1HD1 ILE 78 -4.595 0.227 1.190 426 HD13 ILE 78 2HD1 ILE 78 -4.411 -0.638 2.715 427 H VAL 79 H VAL 79 -8.777 -1.339 0.240 428 HA VAL 79 HA VAL 79 -8.346 -3.370 -1.831 429 HB VAL 79 HB VAL 79 -10.635 -3.654 -1.435 430 HG11 VAL 79 1HG1 VAL 79 -12.246 -1.823 -1.220 431 HG12 VAL 79 2HG1 VAL 79 -10.925 -0.659 -1.339 432 HG13 VAL 79 3HG1 VAL 79 -11.004 -1.768 0.031 433 HG21 VAL 79 3HG2 VAL 79 -10.397 -1.662 -3.689 434 HG22 VAL 79 1HG2 VAL 79 -11.772 -2.733 -3.420 435 HG23 VAL 79 2HG2 VAL 79 -10.189 -3.409 -3.801 436 H PHE 80 H PHE 80 -7.426 -2.670 -3.601 437 HA PHE 80 HA PHE 80 -6.923 0.188 -3.933 438 HB2 PHE 80 1HB PHE 80 -5.737 -2.338 -5.027 439 HB3 PHE 80 2HB PHE 80 -5.527 -0.848 -5.932 440 HD1 PHE 80 HD1 PHE 80 -5.029 -2.302 -2.545 441 HD2 PHE 80 HD2 PHE 80 -3.775 0.577 -5.418 442 HE1 PHE 80 HE1 PHE 80 -3.107 -1.724 -1.122 443 HE2 PHE 80 HE2 PHE 80 -1.851 1.162 -3.999 444 HZ PHE 80 HZ PHE 80 -1.514 0.009 -1.848 445 HA PRO 81 HA PRO 81 -10.505 -0.075 -6.750 446 HB2 PRO 81 1HB PRO 81 -10.838 2.612 -7.006 447 HB3 PRO 81 2HB PRO 81 -11.457 1.681 -5.637 448 HG2 PRO 81 1HG PRO 81 -8.983 3.350 -5.834 449 HG3 PRO 81 2HG PRO 81 -10.149 3.228 -4.504 450 HD2 PRO 81 1HD PRO 81 -7.761 1.949 -4.485 451 HD3 PRO 81 2HD PRO 81 -9.207 1.292 -3.692 452 H ASP 82 H ASP 82 -7.396 1.284 -7.238 453 HA ASP 82 HA ASP 82 -7.947 1.831 -10.062 454 HB2 ASP 82 1HB ASP 82 -5.741 2.599 -8.181 455 HB3 ASP 82 2HB ASP 82 -5.489 2.666 -9.922 456 H PHE 83 H PHE 83 -6.720 -0.650 -8.108 457 HA PHE 83 HA PHE 83 -5.275 -1.800 -10.409 458 HB2 PHE 83 1HB PHE 83 -4.642 -1.922 -7.470 459 HB3 PHE 83 2HB PHE 83 -3.995 -3.114 -8.593 460 HD1 PHE 83 HD1 PHE 83 -4.146 0.534 -7.907 461 HD2 PHE 83 HD2 PHE 83 -2.095 -2.641 -9.869 462 HE1 PHE 83 HE1 PHE 83 -2.329 2.078 -8.498 463 HE2 PHE 83 HE2 PHE 83 -0.272 -1.098 -10.460 464 HZ PHE 83 HZ PHE 83 -0.392 1.267 -9.775 465 H GLY 84 H GLY 84 -7.820 -2.228 -8.150 466 HA2 GLY 84 1HA GLY 84 -9.490 -3.841 -8.163 467 HA3 GLY 84 2HA GLY 84 -8.617 -4.690 -9.431 468 H VAL 85 H VAL 85 -7.122 -3.793 -6.410 469 HA VAL 85 HA VAL 85 -6.904 -6.650 -5.736 470 HB VAL 85 HB VAL 85 -5.073 -4.329 -5.134 471 HG11 VAL 85 1HG1 VAL 85 -5.362 -6.898 -3.738 472 HG12 VAL 85 2HG1 VAL 85 -4.648 -5.379 -3.196 473 HG13 VAL 85 3HG1 VAL 85 -3.716 -6.479 -4.214 474 HG21 VAL 85 3HG2 VAL 85 -3.430 -5.666 -6.359 475 HG22 VAL 85 1HG2 VAL 85 -4.844 -5.306 -7.351 476 HG23 VAL 85 2HG2 VAL 85 -4.651 -6.908 -6.638 477 H HIS 86 H HIS 86 -8.238 -7.258 -4.161 478 HA HIS 86 HA HIS 86 -8.718 -5.405 -1.911 479 HB2 HIS 86 1HB HIS 86 -10.856 -6.886 -1.617 480 HB3 HIS 86 2HB HIS 86 -10.843 -5.608 -2.822 481 HD1 HIS 86 HD1 HIS 86 -9.759 -9.271 -2.924 482 HD2 HIS 86 HD2 HIS 86 -12.085 -6.538 -5.027 483 HE1 HIS 86 HE1 HIS 86 -10.679 -10.539 -4.896 484 H ALA 87 H ALA 87 -7.757 -6.042 -0.081 485 HA ALA 87 HA ALA 87 -7.585 -8.933 0.474 486 HB1 ALA 87 3HB ALA 87 -5.284 -7.850 1.602 487 HB2 ALA 87 1HB ALA 87 -5.395 -7.118 0.001 488 HB3 ALA 87 2HB ALA 87 -5.387 -8.874 0.168 489 H ASN 88 H ASN 88 -6.969 -9.385 2.770 490 HA ASN 88 HA ASN 88 -8.331 -7.497 4.578 491 HB2 ASN 88 1HB ASN 88 -9.458 -9.662 4.401 492 HB3 ASN 88 2HB ASN 88 -7.964 -10.497 4.808 493 HD21 ASN 88 2HD2 ASN 88 -10.541 -8.489 6.020 494 HD22 ASN 88 1HD2 ASN 88 -10.254 -8.792 7.696 495 H LEU 89 H LEU 89 -7.312 -6.825 6.453 496 HA LEU 89 HA LEU 89 -4.465 -7.533 6.640 497 HB2 LEU 89 1HB LEU 89 -5.874 -5.200 7.926 498 HB3 LEU 89 2HB LEU 89 -4.145 -5.478 7.853 499 HG LEU 89 HG LEU 89 -5.891 -4.951 5.448 500 HD11 LEU 89 1HD1 LEU 89 -5.881 -2.925 6.599 501 HD12 LEU 89 2HD1 LEU 89 -4.536 -2.774 5.469 502 HD13 LEU 89 3HD1 LEU 89 -4.225 -3.146 7.164 503 HD21 LEU 89 3HD2 LEU 89 -4.058 -6.136 4.657 504 HD22 LEU 89 1HD2 LEU 89 -2.962 -5.419 5.837 505 HD23 LEU 89 2HD2 LEU 89 -3.552 -4.455 4.484 506 HA PRO 90 HA PRO 90 -5.495 -9.683 10.408 507 HB2 PRO 90 1HB PRO 90 -3.040 -10.680 10.900 508 HB3 PRO 90 2HB PRO 90 -4.076 -11.313 9.616 509 HG2 PRO 90 1HG PRO 90 -1.716 -9.503 9.429 510 HG3 PRO 90 2HG PRO 90 -2.252 -10.774 8.319 511 HD2 PRO 90 1HD PRO 90 -2.673 -8.043 7.988 512 HD3 PRO 90 2HD PRO 90 -3.561 -9.333 7.153 513 H MET 91 H MET 91 -5.684 -8.870 12.401 514 HA MET 91 HA MET 91 -4.361 -6.513 13.217 515 HB2 MET 91 1HB MET 91 -6.589 -7.048 14.011 516 HB3 MET 91 2HB MET 91 -5.992 -8.501 14.803 517 HG2 MET 91 1HG MET 91 -6.405 -6.651 16.364 518 HG3 MET 91 2HG MET 91 -4.732 -7.196 16.370 519 HE1 MET 91 3HE MET 91 -3.144 -5.430 16.963 520 HE2 MET 91 1HE MET 91 -4.548 -4.771 17.801 521 HE3 MET 91 2HE MET 91 -3.509 -3.707 16.853 522 H GLY 92 H GLY 92 -2.458 -6.209 14.141 523 HA2 GLY 92 1HA GLY 92 -0.653 -6.572 15.562 524 HA3 GLY 92 2HA GLY 92 -1.330 -8.137 15.980 525 H GLU 93 H GLU 93 -1.180 -7.724 12.634 526 HA GLU 93 HA GLU 93 1.488 -8.941 12.462 527 HB2 GLU 93 1HB GLU 93 -1.021 -10.001 11.152 528 HB3 GLU 93 2HB GLU 93 0.603 -10.556 10.774 529 HG2 GLU 93 1HG GLU 93 0.871 -11.299 13.096 530 HG3 GLU 93 2HG GLU 93 -0.778 -10.775 13.440 531 H GLU 94 H GLU 94 2.027 -9.202 9.968 532 HA GLU 94 HA GLU 94 1.383 -6.612 8.716 533 HB2 GLU 94 1HB GLU 94 3.886 -8.287 8.585 534 HB3 GLU 94 2HB GLU 94 3.581 -6.938 7.502 535 HG2 GLU 94 1HG GLU 94 4.048 -5.402 9.068 536 HG3 GLU 94 2HG GLU 94 3.281 -6.331 10.357 537 H TYR 95 H TYR 95 0.577 -6.552 6.715 538 HA TYR 95 HA TYR 95 0.485 -9.063 5.165 539 HB2 TYR 95 1HB TYR 95 -1.724 -8.141 6.234 540 HB3 TYR 95 2HB TYR 95 -1.668 -6.984 4.909 541 HD1 TYR 95 HD1 TYR 95 -1.922 -10.570 5.751 542 HD2 TYR 95 HD2 TYR 95 -2.216 -7.639 2.680 543 HE1 TYR 95 HE1 TYR 95 -2.960 -12.236 4.267 544 HE2 TYR 95 HE2 TYR 95 -3.255 -9.295 1.191 545 HH TYR 95 HH TYR 95 -3.189 -11.934 1.040 546 H VAL 96 H VAL 96 1.356 -8.931 3.175 547 HA VAL 96 HA VAL 96 1.992 -6.240 2.188 548 HB VAL 96 HB VAL 96 3.833 -7.978 2.693 549 HG11 VAL 96 1HG1 VAL 96 3.798 -8.928 -0.047 550 HG12 VAL 96 2HG1 VAL 96 2.416 -9.511 0.880 551 HG13 VAL 96 3HG1 VAL 96 4.055 -9.816 1.457 552 HG21 VAL 96 3HG2 VAL 96 5.090 -7.197 0.583 553 HG22 VAL 96 1HG2 VAL 96 4.520 -5.986 1.731 554 HG23 VAL 96 2HG2 VAL 96 3.624 -6.278 0.240 555 H VAL 97 H VAL 97 1.441 -5.539 0.218 556 HA VAL 97 HA VAL 97 -0.214 -7.321 -1.459 557 HB VAL 97 HB VAL 97 -0.361 -4.327 -1.063 558 HG11 VAL 97 1HG1 VAL 97 -0.879 -4.279 -3.268 559 HG12 VAL 97 2HG1 VAL 97 -2.450 -4.825 -2.683 560 HG13 VAL 97 3HG1 VAL 97 -1.293 -5.993 -3.320 561 HG21 VAL 97 3HG2 VAL 97 -1.552 -5.434 0.638 562 HG22 VAL 97 1HG2 VAL 97 -2.218 -6.618 -0.488 563 HG23 VAL 97 2HG2 VAL 97 -2.768 -4.942 -0.541 564 H GLU 98 H GLU 98 0.892 -8.004 -3.180 565 HA GLU 98 HA GLU 98 3.027 -6.338 -4.279 566 HB2 GLU 98 1HB GLU 98 2.377 -9.231 -4.330 567 HB3 GLU 98 2HB GLU 98 3.181 -8.581 -5.755 568 HG2 GLU 98 1HG GLU 98 5.118 -8.140 -4.637 569 HG3 GLU 98 2HG GLU 98 4.297 -7.891 -3.098 570 H ILE 99 H ILE 99 2.670 -5.054 -5.937 571 HA ILE 99 HA ILE 99 0.749 -5.874 -8.014 572 HB ILE 99 HB ILE 99 0.347 -3.234 -8.129 573 HG12 ILE 99 1HG1 ILE 99 0.616 -3.745 -5.157 574 HG13 ILE 99 2HG1 ILE 99 1.814 -2.877 -6.112 575 HG21 ILE 99 1HG2 ILE 99 -1.433 -4.821 -8.062 576 HG22 ILE 99 2HG2 ILE 99 -1.735 -3.625 -6.803 577 HG23 ILE 99 3HG2 ILE 99 -1.095 -5.213 -6.377 578 HD11 ILE 99 3HD1 ILE 99 0.688 -1.006 -5.806 579 HD12 ILE 99 1HD1 ILE 99 -0.527 -1.882 -4.876 580 HD13 ILE 99 2HD1 ILE 99 -0.712 -1.705 -6.621 581 H THR 100 H THR 100 1.073 -4.825 -10.079 582 HA THR 100 HA THR 100 3.830 -3.843 -10.437 583 HB THR 100 HB THR 100 2.317 -5.327 -12.574 584 HG1 THR 100 HG1 THR 100 3.290 -7.215 -11.857 585 HG21 THR 100 3HG2 THR 100 4.457 -5.630 -13.576 586 HG22 THR 100 1HG2 THR 100 5.287 -5.053 -12.131 587 HG23 THR 100 2HG2 THR 100 4.350 -3.931 -13.117 588 HA PRO 101 HA PRO 101 1.250 -0.400 -11.970 589 HB2 PRO 101 1HB PRO 101 3.076 1.530 -11.494 590 HB3 PRO 101 2HB PRO 101 2.063 0.856 -10.210 591 HG2 PRO 101 1HG PRO 101 4.896 0.188 -10.932 592 HG3 PRO 101 2HG PRO 101 4.194 0.469 -9.329 593 HD2 PRO 101 1HD PRO 101 4.641 -2.012 -10.312 594 HD3 PRO 101 2HD PRO 101 3.295 -1.648 -9.212 595 H GLU 102 H GLU 102 1.224 -0.815 -14.163 596 HA GLU 102 HA GLU 102 3.695 -0.413 -15.684 597 HB2 GLU 102 1HB GLU 102 1.016 -1.501 -16.559 598 HB3 GLU 102 2HB GLU 102 2.446 -1.393 -17.575 599 HG2 GLU 102 1HG GLU 102 3.202 -3.328 -16.813 600 HG3 GLU 102 2HG GLU 102 3.079 -2.774 -15.144 601 H GLN 103 H GLN 103 1.595 1.646 -14.534 602 HA GLN 103 HA GLN 103 1.718 3.370 -16.902 603 HB2 GLN 103 1HB GLN 103 -0.683 2.294 -15.750 604 HB3 GLN 103 2HB GLN 103 -0.666 4.038 -15.529 605 HG2 GLN 103 1HG GLN 103 -1.477 4.177 -17.590 606 HG3 GLN 103 2HG GLN 103 0.128 3.717 -18.150 607 HE21 GLN 103 2HE2 GLN 103 0.523 1.363 -18.346 608 HE22 GLN 103 1HE2 GLN 103 -0.785 0.372 -18.891 609 H ALA 104 H ALA 104 2.456 5.353 -16.472 610 HA ALA 104 HA ALA 104 3.072 6.037 -13.721 611 HB1 ALA 104 3HB ALA 104 4.746 7.285 -14.549 612 HB2 ALA 104 1HB ALA 104 3.735 7.988 -15.812 613 HB3 ALA 104 2HB ALA 104 4.443 6.389 -16.038 614 H GLY 105 H GLY 105 1.982 7.425 -12.503 615 HA2 GLY 105 1HA GLY 105 0.805 9.800 -13.190 616 HA3 GLY 105 2HA GLY 105 -0.446 8.602 -13.478 617 H GLU 106 H GLU 106 -1.720 9.587 -11.859 618 HA GLU 106 HA GLU 106 -0.765 9.217 -9.104 619 HB2 GLU 106 1HB GLU 106 -2.348 11.286 -10.416 620 HB3 GLU 106 2HB GLU 106 -3.113 10.680 -8.954 621 HG2 GLU 106 1HG GLU 106 -1.382 11.392 -7.594 622 HG3 GLU 106 2HG GLU 106 -0.233 11.473 -8.930 623 H PHE 107 H PHE 107 -1.614 7.674 -7.914 624 HA PHE 107 HA PHE 107 -4.231 6.536 -8.679 625 HB2 PHE 107 1HB PHE 107 -1.728 5.107 -7.756 626 HB3 PHE 107 2HB PHE 107 -3.302 4.326 -7.875 627 HD1 PHE 107 HD2 PHE 107 -4.401 4.168 -10.120 628 HD2 PHE 107 HD1 PHE 107 -0.362 5.403 -9.646 629 HE1 PHE 107 HE2 PHE 107 -3.979 3.673 -12.493 630 HE2 PHE 107 HE1 PHE 107 0.069 4.914 -12.018 631 HZ PHE 107 HZ PHE 107 -1.740 4.047 -13.445 632 H SER 108 H SER 108 -5.254 5.301 -6.771 633 HA SER 108 HA SER 108 -4.430 6.330 -4.170 634 HB2 SER 108 1HB SER 108 -6.486 7.587 -5.630 635 HB3 SER 108 2HB SER 108 -7.283 6.659 -4.358 636 HG SER 108 HG SER 108 -5.530 7.692 -2.977 637 H PHE 109 H PHE 109 -5.491 5.347 -2.370 638 HA PHE 109 HA PHE 109 -7.088 2.962 -2.869 639 HB2 PHE 109 1HB PHE 109 -5.604 1.566 -1.417 640 HB3 PHE 109 2HB PHE 109 -4.879 2.014 -2.954 641 HD1 PHE 109 HD2 PHE 109 -3.040 3.647 -3.032 642 HD2 PHE 109 HD1 PHE 109 -4.705 2.332 0.662 643 HE1 PHE 109 HE2 PHE 109 -1.078 4.521 -1.835 644 HE2 PHE 109 HE1 PHE 109 -2.740 3.200 1.860 645 HZ PHE 109 HZ PHE 109 -0.925 4.297 0.611 646 H ALA 110 H ALA 110 -8.544 2.563 -1.272 647 HA ALA 110 HA ALA 110 -8.197 3.520 1.413 648 HB1 ALA 110 3HB ALA 110 -9.879 5.046 -0.510 649 HB2 ALA 110 1HB ALA 110 -8.879 5.624 0.823 650 HB3 ALA 110 2HB ALA 110 -10.444 4.880 1.152 651 H CYS 111 H CYS 111 -10.146 3.062 2.778 652 HA CYS 111 HA CYS 111 -12.082 1.209 1.667 653 HB2 CYS 111 1HB CYS 111 -9.841 0.028 2.508 654 HB3 CYS 111 2HB CYS 111 -10.651 0.173 4.065 655 HG CYS 111 HG CYS 111 -11.034 -2.413 3.003 656 H GLY 112 H GLY 112 -13.432 0.298 3.671 657 HA2 GLY 112 1HA GLY 112 -14.440 0.768 5.769 658 HA3 GLY 112 2HA GLY 112 -13.741 2.379 5.712 659 H MET 113 H MET 113 -15.886 3.102 6.327 660 HA MET 113 HA MET 113 -17.887 2.975 4.186 661 HB2 MET 113 1HB MET 113 -18.057 2.890 7.008 662 HB3 MET 113 2HB MET 113 -18.814 4.392 6.501 663 HG2 MET 113 1HG MET 113 -20.526 2.787 6.574 664 HG3 MET 113 2HG MET 113 -20.158 3.029 4.867 665 HE1 MET 113 3HE MET 113 -21.729 0.916 4.795 666 HE2 MET 113 1HE MET 113 -21.647 0.254 6.427 667 HE3 MET 113 2HE MET 113 -21.161 -0.735 5.049 668 H ASN 114 H ASN 114 -15.771 5.184 5.846 669 HA ASN 114 HA ASN 114 -16.191 7.208 3.861 670 HB2 ASN 114 1HB ASN 114 -17.832 7.334 6.149 671 HB3 ASN 114 2HB ASN 114 -16.590 8.561 6.377 672 HD21 ASN 114 2HD2 ASN 114 -18.613 7.315 3.738 673 HD22 ASN 114 1HD2 ASN 114 -19.068 8.873 3.137 674 H MET 115 H MET 115 -14.947 9.311 4.657 675 HA MET 115 HA MET 115 -12.952 10.272 5.135 676 HB2 MET 115 1HB MET 115 -13.690 8.979 7.435 677 HB3 MET 115 2HB MET 115 -12.084 8.325 7.158 678 HG2 MET 115 1HG MET 115 -11.498 10.875 6.796 679 HG3 MET 115 2HG MET 115 -12.926 11.094 7.807 680 HE1 MET 115 3HE MET 115 -12.672 11.139 10.488 681 HE2 MET 115 1HE MET 115 -12.012 9.659 11.183 682 HE3 MET 115 2HE MET 115 -13.266 9.568 9.947 683 H MET 116 H MET 116 -10.671 8.553 6.273 684 HA MET 116 HA MET 116 -8.904 7.314 5.578 685 HB2 MET 116 1HB MET 116 -10.967 5.941 4.490 686 HB3 MET 116 2HB MET 116 -10.088 6.389 3.035 687 HG2 MET 116 1HG MET 116 -9.005 4.467 3.448 688 HG3 MET 116 2HG MET 116 -8.049 5.495 4.513 689 HE1 MET 116 3HE MET 116 -8.407 4.265 7.842 690 HE2 MET 116 1HE MET 116 -9.459 5.640 7.509 691 HE3 MET 116 2HE MET 116 -7.892 5.516 6.711 692 H HIS 117 H HIS 117 -7.106 7.468 4.169 693 HA HIS 117 HA HIS 117 -7.256 9.135 1.821 694 HB2 HIS 117 1HB HIS 117 -7.107 10.629 3.973 695 HB3 HIS 117 2HB HIS 117 -5.409 10.161 3.946 696 HD1 HIS 117 HD1 HIS 117 -3.919 11.531 2.492 697 HD2 HIS 117 HD2 HIS 117 -7.926 11.970 1.481 698 HE1 HIS 117 HE1 HIS 117 -3.977 13.336 0.743 699 H GLY 118 H GLY 118 -6.175 7.772 0.526 700 HA2 GLY 118 1HA GLY 118 -3.374 7.187 1.215 701 HA3 GLY 118 2HA GLY 118 -4.428 5.864 0.732 702 H LYS 119 H LYS 119 -2.189 8.058 -0.377 703 HA LYS 119 HA LYS 119 -3.237 7.859 -3.130 704 HB2 LYS 119 1HB LYS 119 -2.985 10.172 -1.974 705 HB3 LYS 119 2HB LYS 119 -1.269 9.957 -2.287 706 HG2 LYS 119 1HG LYS 119 -1.568 10.001 -4.604 707 HG3 LYS 119 2HG LYS 119 -3.303 9.710 -4.475 708 HD2 LYS 119 1HD LYS 119 -3.569 11.919 -4.657 709 HD3 LYS 119 2HD LYS 119 -2.899 12.043 -3.030 710 HE2 LYS 119 1HE LYS 119 -0.772 12.572 -3.815 711 HE3 LYS 119 2HE LYS 119 -1.099 11.920 -5.420 712 HZ1 LYS 119 3HZ LYS 119 -1.911 13.862 -6.119 713 HZ2 LYS 119 1HZ LYS 119 -1.212 14.540 -4.726 714 HZ3 LYS 119 2HZ LYS 119 -2.841 14.087 -4.714 715 H MET 120 H MET 120 -1.801 7.435 -4.810 716 HA MET 120 HA MET 120 0.904 6.545 -4.061 717 HB2 MET 120 1HB MET 120 -0.747 4.627 -4.236 718 HB3 MET 120 2HB MET 120 -0.899 5.018 -5.940 719 HG2 MET 120 1HG MET 120 1.144 4.199 -6.456 720 HG3 MET 120 2HG MET 120 1.828 4.598 -4.886 721 HE1 MET 120 3HE MET 120 -0.447 0.814 -6.055 722 HE2 MET 120 1HE MET 120 0.604 1.752 -7.116 723 HE3 MET 120 2HE MET 120 -0.921 2.438 -6.551 724 H ILE 121 H ILE 121 2.459 7.257 -5.431 725 HA ILE 121 HA ILE 121 1.555 8.350 -8.023 726 HB ILE 121 HB ILE 121 3.805 9.360 -6.273 727 HG12 ILE 121 1HG1 ILE 121 2.178 11.482 -6.806 728 HG13 ILE 121 2HG1 ILE 121 1.006 10.170 -6.745 729 HG21 ILE 121 1HG2 ILE 121 2.943 10.222 -9.033 730 HG22 ILE 121 2HG2 ILE 121 4.493 9.514 -8.575 731 HG23 ILE 121 3HG2 ILE 121 4.057 11.125 -8.004 732 HD11 ILE 121 3HD1 ILE 121 1.516 9.674 -4.521 733 HD12 ILE 121 1HD1 ILE 121 1.459 11.435 -4.598 734 HD13 ILE 121 2HD1 ILE 121 3.015 10.605 -4.566 735 H VAL 122 H VAL 122 2.253 7.267 -9.712 736 HA VAL 122 HA VAL 122 4.650 5.588 -9.444 737 HB VAL 122 HB VAL 122 2.505 5.519 -11.576 738 HG11 VAL 122 1HG1 VAL 122 4.502 3.355 -11.027 739 HG12 VAL 122 2HG1 VAL 122 4.896 4.699 -12.098 740 HG13 VAL 122 3HG1 VAL 122 3.539 3.639 -12.475 741 HG21 VAL 122 3HG2 VAL 122 1.952 4.841 -9.130 742 HG22 VAL 122 1HG2 VAL 122 2.914 3.409 -9.494 743 HG23 VAL 122 2HG2 VAL 122 1.477 3.774 -10.452 744 H GLU 123 H GLU 123 6.487 6.277 -10.276 745 HA GLU 123 HA GLU 123 8.014 7.570 -11.379 746 HB2 GLU 123 1HB GLU 123 6.327 6.248 -13.326 747 HB3 GLU 123 2HB GLU 123 7.004 7.735 -13.975 748 HG2 GLU 123 1HG GLU 123 9.189 6.644 -12.806 749 HG3 GLU 123 2HG GLU 123 8.312 5.199 -13.301 Start of MODEL 17 1 HA2 GLY 26 1HA GLY 26 9.313 12.401 3.605 2 HA3 GLY 26 2HA GLY 26 9.955 12.880 5.169 3 H ALA 27 H ALA 27 8.626 15.573 3.967 4 HA ALA 27 HA ALA 27 6.190 15.239 5.543 5 HB1 ALA 27 3HB ALA 27 5.979 17.647 5.422 6 HB2 ALA 27 1HB ALA 27 7.298 17.730 4.255 7 HB3 ALA 27 2HB ALA 27 7.617 17.212 5.911 8 H MET 28 H MET 28 7.175 15.944 2.225 9 HA MET 28 HA MET 28 4.398 16.141 1.361 10 HB2 MET 28 1HB MET 28 6.965 17.022 0.342 11 HB3 MET 28 2HB MET 28 6.038 16.193 -0.901 12 HG2 MET 28 1HG MET 28 5.187 18.591 0.704 13 HG3 MET 28 2HG MET 28 5.577 18.537 -1.014 14 HE1 MET 28 3HE MET 28 2.548 17.135 -2.727 15 HE2 MET 28 1HE MET 28 4.297 16.916 -2.664 16 HE3 MET 28 2HE MET 28 3.614 18.540 -2.759 17 H GLY 29 H GLY 29 4.507 13.726 2.276 18 HA2 GLY 29 1HA GLY 29 3.680 11.695 1.333 19 HA3 GLY 29 2HA GLY 29 4.585 12.039 -0.131 20 H GLN 30 H GLN 30 5.046 9.654 0.345 21 HA GLN 30 HA GLN 30 7.626 9.553 1.752 22 HB2 GLN 30 1HB GLN 30 5.226 8.273 2.622 23 HB3 GLN 30 2HB GLN 30 6.357 7.033 2.101 24 HG2 GLN 30 1HG GLN 30 7.267 7.183 4.116 25 HG3 GLN 30 2HG GLN 30 7.916 8.742 3.609 26 HE21 GLN 30 2HE2 GLN 30 6.578 10.642 4.046 27 HE22 GLN 30 1HE2 GLN 30 5.587 10.645 5.463 28 H LYS 31 H LYS 31 9.181 8.617 0.599 29 HA LYS 31 HA LYS 31 8.479 7.347 -1.930 30 HB2 LYS 31 1HB LYS 31 10.338 9.162 -1.485 31 HB3 LYS 31 2HB LYS 31 11.303 7.766 -1.031 32 HG2 LYS 31 1HG LYS 31 11.051 6.806 -3.205 33 HG3 LYS 31 2HG LYS 31 9.889 8.048 -3.673 34 HD2 LYS 31 1HD LYS 31 12.458 9.094 -2.726 35 HD3 LYS 31 2HD LYS 31 12.567 8.128 -4.198 36 HE2 LYS 31 1HE LYS 31 10.961 9.529 -5.304 37 HE3 LYS 31 2HE LYS 31 10.639 10.412 -3.812 38 HZ1 LYS 31 3HZ LYS 31 12.574 10.954 -5.754 39 HZ2 LYS 31 1HZ LYS 31 13.388 10.526 -4.333 40 HZ3 LYS 31 2HZ LYS 31 12.270 11.796 -4.318 41 H ALA 32 H ALA 32 8.564 5.216 -2.266 42 HA ALA 32 HA ALA 32 9.135 3.425 -0.116 43 HB1 ALA 32 3HB ALA 32 8.567 2.875 -3.025 44 HB2 ALA 32 1HB ALA 32 7.388 2.915 -1.714 45 HB3 ALA 32 2HB ALA 32 8.626 1.657 -1.751 46 H GLN 33 H GLN 33 10.741 1.762 -0.063 47 HA GLN 33 HA GLN 33 13.279 2.690 -1.091 48 HB2 GLN 33 1HB GLN 33 14.299 1.051 0.316 49 HB3 GLN 33 2HB GLN 33 13.026 1.834 1.235 50 HG2 GLN 33 1HG GLN 33 11.641 -0.057 1.120 51 HG3 GLN 33 2HG GLN 33 12.605 -0.786 -0.165 52 HE21 GLN 33 2HE2 GLN 33 11.813 -1.765 2.531 53 HE22 GLN 33 1HE2 GLN 33 13.299 -2.207 3.293 54 H GLN 34 H GLN 34 14.591 1.696 -2.549 55 HA GLN 34 HA GLN 34 13.290 -0.249 -4.299 56 HB2 GLN 34 1HB GLN 34 15.782 1.424 -4.675 57 HB3 GLN 34 2HB GLN 34 15.150 0.298 -5.870 58 HG2 GLN 34 1HG GLN 34 13.326 1.624 -6.351 59 HG3 GLN 34 2HG GLN 34 13.403 2.472 -4.809 60 HE21 GLN 34 2HE2 GLN 34 13.872 2.826 -8.008 61 HE22 GLN 34 1HE2 GLN 34 15.026 4.112 -8.001 62 H LYS 35 H LYS 35 13.680 -2.322 -3.979 63 HA LYS 35 HA LYS 35 16.139 -3.151 -2.625 64 HB2 LYS 35 1HB LYS 35 13.783 -4.883 -3.369 65 HB3 LYS 35 2HB LYS 35 15.041 -5.228 -2.191 66 HG2 LYS 35 1HG LYS 35 13.485 -2.780 -1.699 67 HG3 LYS 35 2HG LYS 35 12.594 -4.298 -1.565 68 HD2 LYS 35 1HD LYS 35 15.181 -4.453 -0.268 69 HD3 LYS 35 2HD LYS 35 14.204 -3.135 0.381 70 HE2 LYS 35 1HE LYS 35 13.328 -4.744 1.683 71 HE3 LYS 35 2HE LYS 35 12.362 -5.113 0.256 72 HZ1 LYS 35 3HZ LYS 35 13.542 -6.992 -0.188 73 HZ2 LYS 35 1HZ LYS 35 13.768 -6.944 1.497 74 HZ3 LYS 35 2HZ LYS 35 14.985 -6.380 0.469 75 H ASN 36 H ASN 36 15.892 -5.888 -3.750 76 HA ASN 36 HA ASN 36 17.576 -5.452 -6.057 77 HB2 ASN 36 1HB ASN 36 17.426 -7.403 -4.075 78 HB3 ASN 36 2HB ASN 36 16.906 -8.229 -5.541 79 HD21 ASN 36 2HD2 ASN 36 19.258 -8.829 -4.156 80 HD22 ASN 36 1HD2 ASN 36 20.598 -8.441 -5.169 81 H GLY 37 H GLY 37 15.877 -4.517 -7.422 82 HA2 GLY 37 1HA GLY 37 14.869 -4.978 -9.511 83 HA3 GLY 37 2HA GLY 37 14.608 -6.633 -8.996 84 H TYR 38 H TYR 38 13.555 -4.964 -6.429 85 HA TYR 38 HA TYR 38 10.937 -4.256 -7.517 86 HB2 TYR 38 1HB TYR 38 9.723 -5.643 -5.940 87 HB3 TYR 38 2HB TYR 38 10.801 -6.654 -6.888 88 HD1 TYR 38 HD2 TYR 38 12.924 -7.501 -5.831 89 HD2 TYR 38 HD1 TYR 38 9.886 -5.550 -3.578 90 HE1 TYR 38 HE2 TYR 38 13.860 -8.443 -3.763 91 HE2 TYR 38 HE1 TYR 38 10.815 -6.489 -1.504 92 HH TYR 38 HH TYR 38 12.460 -8.871 -1.137 93 H GLN 39 H GLN 39 9.558 -3.126 -5.908 94 HA GLN 39 HA GLN 39 11.257 -1.640 -4.006 95 HB2 GLN 39 1HB GLN 39 8.629 -0.511 -4.759 96 HB3 GLN 39 2HB GLN 39 10.158 0.297 -4.467 97 HG2 GLN 39 1HG GLN 39 10.490 -1.224 -6.810 98 HG3 GLN 39 2HG GLN 39 8.934 -0.407 -6.946 99 HE21 GLN 39 2HE2 GLN 39 9.472 1.923 -5.558 100 HE22 GLN 39 1HE2 GLN 39 10.647 2.839 -6.428 101 H GLU 40 H GLU 40 10.319 -0.964 -1.997 102 HA GLU 40 HA GLU 40 7.936 -2.406 -1.115 103 HB2 GLU 40 1HB GLU 40 9.930 -3.878 -0.722 104 HB3 GLU 40 2HB GLU 40 10.557 -2.655 0.371 105 HG2 GLU 40 1HG GLU 40 8.133 -2.992 1.447 106 HG3 GLU 40 2HG GLU 40 8.355 -4.588 0.736 107 H ILE 41 H ILE 41 6.822 -1.404 0.488 108 HA ILE 41 HA ILE 41 8.071 0.807 1.939 109 HB ILE 41 HB ILE 41 7.102 2.046 0.174 110 HG12 ILE 41 1HG1 ILE 41 4.751 2.639 1.638 111 HG13 ILE 41 2HG1 ILE 41 5.976 2.180 2.812 112 HG21 ILE 41 1HG2 ILE 41 5.395 1.366 -1.070 113 HG22 ILE 41 2HG2 ILE 41 4.327 1.272 0.334 114 HG23 ILE 41 3HG2 ILE 41 5.359 -0.099 -0.089 115 HD11 ILE 41 3HD1 ILE 41 6.117 4.516 2.569 116 HD12 ILE 41 1HD1 ILE 41 6.077 4.413 0.809 117 HD13 ILE 41 2HD1 ILE 41 7.496 3.852 1.693 118 H ARG 42 H ARG 42 7.514 0.832 4.027 119 HA ARG 42 HA ARG 42 5.482 -1.042 4.932 120 HB2 ARG 42 1HB ARG 42 7.966 -0.376 5.913 121 HB3 ARG 42 2HB ARG 42 6.882 0.500 6.988 122 HG2 ARG 42 1HG ARG 42 5.652 -1.629 7.376 123 HG3 ARG 42 2HG ARG 42 6.896 -2.459 6.437 124 HD2 ARG 42 1HD ARG 42 7.957 -2.708 8.394 125 HD3 ARG 42 2HD ARG 42 8.377 -1.005 8.226 126 HE ARG 42 HE ARG 42 6.557 -0.468 9.688 127 HH11 ARG 42 1HH1 ARG 42 7.291 -3.851 9.475 128 HH12 ARG 42 2HH1 ARG 42 6.495 -4.245 10.959 129 HH21 ARG 42 1HH2 ARG 42 5.525 -0.976 11.627 130 HH22 ARG 42 2HH2 ARG 42 5.524 -2.619 12.183 131 H VAL 43 H VAL 43 3.483 -0.350 5.059 132 HA VAL 43 HA VAL 43 2.947 2.462 5.728 133 HB VAL 43 HB VAL 43 1.051 0.378 4.614 134 HG11 VAL 43 1HG1 VAL 43 0.392 3.160 4.159 135 HG12 VAL 43 2HG1 VAL 43 0.472 2.778 5.880 136 HG13 VAL 43 3HG1 VAL 43 -0.601 1.861 4.823 137 HG21 VAL 43 3HG2 VAL 43 2.413 2.656 3.188 138 HG22 VAL 43 1HG2 VAL 43 1.323 1.463 2.482 139 HG23 VAL 43 2HG2 VAL 43 2.906 0.968 3.083 140 H GLU 44 H GLU 44 2.890 2.695 7.865 141 HA GLU 44 HA GLU 44 1.945 0.690 9.665 142 HB2 GLU 44 1HB GLU 44 3.622 2.702 10.020 143 HB3 GLU 44 2HB GLU 44 2.155 3.556 10.481 144 HG2 GLU 44 1HG GLU 44 2.301 2.694 12.503 145 HG3 GLU 44 2HG GLU 44 2.130 1.076 11.827 146 H VAL 45 H VAL 45 -0.091 0.174 9.971 147 HA VAL 45 HA VAL 45 -2.202 2.098 9.340 148 HB VAL 45 HB VAL 45 -2.212 -0.902 9.669 149 HG11 VAL 45 1HG1 VAL 45 -4.606 -0.804 9.013 150 HG12 VAL 45 2HG1 VAL 45 -4.560 0.938 9.285 151 HG13 VAL 45 3HG1 VAL 45 -4.276 -0.171 10.626 152 HG21 VAL 45 3HG2 VAL 45 -3.083 0.696 7.288 153 HG22 VAL 45 1HG2 VAL 45 -2.625 -1.005 7.369 154 HG23 VAL 45 2HG2 VAL 45 -1.395 0.249 7.539 155 H MET 46 H MET 46 -2.452 3.364 11.094 156 HA MET 46 HA MET 46 -3.598 2.110 13.457 157 HB2 MET 46 1HB MET 46 -2.198 3.820 14.855 158 HB3 MET 46 2HB MET 46 -1.486 2.285 14.382 159 HG2 MET 46 1HG MET 46 -0.536 3.525 12.377 160 HG3 MET 46 2HG MET 46 -0.998 5.000 13.223 161 HE1 MET 46 3HE MET 46 0.419 6.133 15.012 162 HE2 MET 46 1HE MET 46 1.349 5.224 16.203 163 HE3 MET 46 2HE MET 46 -0.390 4.964 16.057 164 H GLY 47 H GLY 47 -5.574 2.962 12.848 165 HA2 GLY 47 1HA GLY 47 -7.242 4.568 13.074 166 HA3 GLY 47 2HA GLY 47 -6.014 5.731 13.555 167 H GLY 48 H GLY 48 -4.865 4.361 10.854 168 HA2 GLY 48 1HA GLY 48 -6.196 5.160 8.634 169 HA3 GLY 48 2HA GLY 48 -5.439 6.643 9.206 170 H TYR 49 H TYR 49 -4.454 6.246 6.938 171 HA TYR 49 HA TYR 49 -2.252 4.339 6.968 172 HB2 TYR 49 1HB TYR 49 -3.038 6.307 4.803 173 HB3 TYR 49 2HB TYR 49 -1.918 4.959 4.636 174 HD1 TYR 49 HD2 TYR 49 -3.144 2.642 5.589 175 HD2 TYR 49 HD1 TYR 49 -5.036 5.970 3.730 176 HE1 TYR 49 HE2 TYR 49 -5.007 1.192 4.900 177 HE2 TYR 49 HE1 TYR 49 -6.905 4.529 3.039 178 HH TYR 49 HH TYR 49 -7.511 1.561 4.321 179 H THR 50 H THR 50 -0.234 4.874 7.584 180 HA THR 50 HA THR 50 0.371 7.460 8.537 181 HB THR 50 HB THR 50 2.179 5.106 7.992 182 HG1 THR 50 HG1 THR 50 0.822 4.790 9.742 183 HG21 THR 50 3HG2 THR 50 3.990 6.230 8.991 184 HG22 THR 50 1HG2 THR 50 2.966 7.545 9.567 185 HG23 THR 50 2HG2 THR 50 3.326 7.395 7.846 186 HA PRO 51 HA PRO 51 2.944 8.368 4.641 187 HB2 PRO 51 1HB PRO 51 3.177 6.570 2.643 188 HB3 PRO 51 2HB PRO 51 4.261 6.565 4.039 189 HG2 PRO 51 1HG PRO 51 1.874 4.848 3.487 190 HG3 PRO 51 2HG PRO 51 3.453 4.391 4.153 191 HD2 PRO 51 1HD PRO 51 1.242 4.790 5.695 192 HD3 PRO 51 2HD PRO 51 2.898 5.071 6.265 193 H GLU 52 H GLU 52 1.198 9.740 4.270 194 HA GLU 52 HA GLU 52 -1.260 9.174 3.175 195 HB2 GLU 52 1HB GLU 52 -1.217 11.578 2.334 196 HB3 GLU 52 2HB GLU 52 -0.973 11.328 4.055 197 HG2 GLU 52 1HG GLU 52 1.562 11.306 2.752 198 HG3 GLU 52 2HG GLU 52 0.660 12.729 2.232 199 H LEU 53 H LEU 53 1.719 9.919 1.393 200 HA LEU 53 HA LEU 53 0.438 8.814 -1.008 201 HB2 LEU 53 1HB LEU 53 2.404 10.774 -1.742 202 HB3 LEU 53 2HB LEU 53 0.723 10.666 -2.205 203 HG LEU 53 HG LEU 53 1.340 11.801 0.471 204 HD11 LEU 53 1HD1 LEU 53 2.305 12.898 -2.061 205 HD12 LEU 53 2HD1 LEU 53 2.763 13.292 -0.404 206 HD13 LEU 53 3HD1 LEU 53 1.326 14.021 -1.119 207 HD21 LEU 53 3HD2 LEU 53 -0.616 13.107 0.044 208 HD22 LEU 53 1HD2 LEU 53 -0.978 11.443 -0.411 209 HD23 LEU 53 2HD2 LEU 53 -0.624 12.640 -1.657 210 H ILE 54 H ILE 54 1.529 7.077 -1.668 211 HA ILE 54 HA ILE 54 4.353 6.816 -0.908 212 HB ILE 54 HB ILE 54 4.055 4.428 -1.768 213 HG12 ILE 54 1HG1 ILE 54 1.149 5.255 -1.599 214 HG13 ILE 54 2HG1 ILE 54 2.009 4.719 -3.033 215 HG21 ILE 54 1HG2 ILE 54 3.695 5.572 0.694 216 HG22 ILE 54 2HG2 ILE 54 3.825 3.844 0.368 217 HG23 ILE 54 3HG2 ILE 54 2.236 4.599 0.503 218 HD11 ILE 54 3HD1 ILE 54 0.728 3.175 -0.944 219 HD12 ILE 54 1HD1 ILE 54 2.376 2.642 -1.275 220 HD13 ILE 54 2HD1 ILE 54 1.192 2.708 -2.581 221 H VAL 55 H VAL 55 5.940 7.079 -2.322 222 HA VAL 55 HA VAL 55 5.250 7.365 -5.156 223 HB VAL 55 HB VAL 55 7.771 8.138 -3.678 224 HG11 VAL 55 1HG1 VAL 55 7.706 9.515 -6.075 225 HG12 VAL 55 2HG1 VAL 55 7.212 7.880 -6.512 226 HG13 VAL 55 3HG1 VAL 55 8.744 8.145 -5.681 227 HG21 VAL 55 3HG2 VAL 55 7.026 10.407 -3.907 228 HG22 VAL 55 1HG2 VAL 55 5.738 9.471 -3.150 229 HG23 VAL 55 2HG2 VAL 55 5.631 9.899 -4.858 230 H LEU 56 H LEU 56 5.763 5.897 -6.627 231 HA LEU 56 HA LEU 56 7.930 3.982 -6.079 232 HB2 LEU 56 1HB LEU 56 5.146 3.283 -7.022 233 HB3 LEU 56 2HB LEU 56 6.500 2.169 -7.031 234 HG LEU 56 HG LEU 56 5.953 3.427 -4.423 235 HD11 LEU 56 1HD1 LEU 56 3.684 3.185 -4.943 236 HD12 LEU 56 2HD1 LEU 56 4.095 1.728 -4.040 237 HD13 LEU 56 3HD1 LEU 56 3.952 1.665 -5.796 238 HD21 LEU 56 3HD2 LEU 56 7.518 1.433 -5.213 239 HD22 LEU 56 1HD2 LEU 56 6.057 0.503 -4.883 240 HD23 LEU 56 2HD2 LEU 56 6.788 1.478 -3.610 241 H LYS 57 H LYS 57 8.399 2.638 -8.133 242 HA LYS 57 HA LYS 57 8.627 4.520 -10.356 243 HB2 LYS 57 1HB LYS 57 10.226 2.333 -9.318 244 HB3 LYS 57 2HB LYS 57 9.959 2.165 -11.048 245 HG2 LYS 57 1HG LYS 57 10.834 4.419 -11.403 246 HG3 LYS 57 2HG LYS 57 11.108 4.581 -9.668 247 HD2 LYS 57 1HD LYS 57 12.678 2.723 -9.724 248 HD3 LYS 57 2HD LYS 57 12.374 2.499 -11.447 249 HE2 LYS 57 1HE LYS 57 13.063 5.074 -11.484 250 HE3 LYS 57 2HE LYS 57 13.951 4.581 -10.043 251 HZ1 LYS 57 3HZ LYS 57 14.844 2.712 -11.480 252 HZ2 LYS 57 1HZ LYS 57 15.422 4.267 -11.813 253 HZ3 LYS 57 2HZ LYS 57 14.243 3.571 -12.807 254 H LYS 58 H LYS 58 8.594 3.338 -12.615 255 HA LYS 58 HA LYS 58 6.017 1.921 -12.740 256 HB2 LYS 58 1HB LYS 58 6.206 4.126 -13.892 257 HB3 LYS 58 2HB LYS 58 7.428 3.427 -14.944 258 HG2 LYS 58 1HG LYS 58 5.750 1.767 -15.706 259 HG3 LYS 58 2HG LYS 58 4.539 2.612 -14.740 260 HD2 LYS 58 1HD LYS 58 4.233 3.546 -16.835 261 HD3 LYS 58 2HD LYS 58 5.317 4.706 -16.064 262 HE2 LYS 58 1HE LYS 58 6.925 2.715 -17.273 263 HE3 LYS 58 2HE LYS 58 5.711 3.201 -18.455 264 HZ1 LYS 58 3HZ LYS 58 6.366 5.519 -18.077 265 HZ2 LYS 58 1HZ LYS 58 7.658 4.584 -18.642 266 HZ3 LYS 58 2HZ LYS 58 7.580 5.014 -17.001 267 H SER 59 H SER 59 5.724 0.124 -14.039 268 HA SER 59 HA SER 59 6.207 -1.850 -15.045 269 HB2 SER 59 1HB SER 59 7.204 -0.488 -16.825 270 HB3 SER 59 2HB SER 59 8.739 -0.462 -15.958 271 HG SER 59 HG SER 59 8.587 -2.852 -16.106 272 H VAL 60 H VAL 60 7.282 -1.087 -12.316 273 HA VAL 60 HA VAL 60 9.199 -3.311 -12.073 274 HB VAL 60 HB VAL 60 10.191 -1.006 -11.715 275 HG11 VAL 60 1HG1 VAL 60 9.781 -0.019 -9.447 276 HG12 VAL 60 2HG1 VAL 60 8.381 -1.084 -9.317 277 HG13 VAL 60 3HG1 VAL 60 8.444 0.136 -10.588 278 HG21 VAL 60 3HG2 VAL 60 10.293 -3.014 -9.475 279 HG22 VAL 60 1HG2 VAL 60 11.399 -1.650 -9.630 280 HG23 VAL 60 2HG2 VAL 60 11.366 -2.903 -10.871 281 HA PRO 61 HA PRO 61 6.151 -5.079 -9.341 282 HB2 PRO 61 1HB PRO 61 7.840 -6.751 -7.949 283 HB3 PRO 61 2HB PRO 61 7.148 -7.128 -9.530 284 HG2 PRO 61 1HG PRO 61 9.864 -6.082 -8.845 285 HG3 PRO 61 2HG PRO 61 9.396 -7.283 -10.065 286 HD2 PRO 61 1HD PRO 61 9.985 -4.733 -10.715 287 HD3 PRO 61 2HD PRO 61 8.754 -5.668 -11.590 288 H ALA 62 H ALA 62 5.348 -4.023 -7.628 289 HA ALA 62 HA ALA 62 7.236 -3.169 -5.526 290 HB1 ALA 62 3HB ALA 62 6.686 -1.099 -6.182 291 HB2 ALA 62 1HB ALA 62 5.211 -1.391 -5.260 292 HB3 ALA 62 2HB ALA 62 5.221 -1.636 -7.006 293 H ARG 63 H ARG 63 6.676 -3.523 -3.424 294 HA ARG 63 HA ARG 63 4.061 -4.791 -2.979 295 HB2 ARG 63 1HB ARG 63 5.006 -6.382 -1.496 296 HB3 ARG 63 2HB ARG 63 6.007 -6.383 -2.936 297 HG2 ARG 63 1HG ARG 63 7.496 -4.740 -1.603 298 HG3 ARG 63 2HG ARG 63 6.623 -5.362 -0.205 299 HD2 ARG 63 1HD ARG 63 7.233 -7.681 -1.376 300 HD3 ARG 63 2HD ARG 63 8.576 -6.711 -1.978 301 HE ARG 63 HE ARG 63 9.059 -6.202 0.401 302 HH11 ARG 63 1HH1 ARG 63 7.288 -9.079 -0.412 303 HH12 ARG 63 2HH1 ARG 63 7.721 -9.892 1.048 304 HH21 ARG 63 1HH2 ARG 63 9.601 -7.263 2.299 305 HH22 ARG 63 2HH2 ARG 63 9.026 -8.875 2.575 306 H ILE 64 H ILE 64 2.822 -3.953 -1.493 307 HA ILE 64 HA ILE 64 3.908 -1.827 0.225 308 HB ILE 64 HB ILE 64 0.979 -2.380 -0.100 309 HG12 ILE 64 1HG1 ILE 64 2.070 -2.233 -2.379 310 HG13 ILE 64 2HG1 ILE 64 0.830 -1.024 -2.062 311 HG21 ILE 64 1HG2 ILE 64 2.267 0.304 0.128 312 HG22 ILE 64 2HG2 ILE 64 2.093 -0.718 1.554 313 HG23 ILE 64 3HG2 ILE 64 0.664 -0.221 0.647 314 HD11 ILE 64 3HD1 ILE 64 2.262 0.598 -2.514 315 HD12 ILE 64 1HD1 ILE 64 3.471 -0.619 -2.926 316 HD13 ILE 64 2HD1 ILE 64 3.377 0.010 -1.280 317 H VAL 65 H VAL 65 4.418 -2.423 2.239 318 HA VAL 65 HA VAL 65 3.177 -4.779 3.430 319 HB VAL 65 HB VAL 65 5.231 -3.052 4.789 320 HG11 VAL 65 1HG1 VAL 65 4.801 -6.033 4.880 321 HG12 VAL 65 2HG1 VAL 65 4.063 -4.896 6.009 322 HG13 VAL 65 3HG1 VAL 65 5.819 -5.059 5.942 323 HG21 VAL 65 3HG2 VAL 65 5.698 -4.002 2.286 324 HG22 VAL 65 1HG2 VAL 65 6.251 -5.354 3.276 325 HG23 VAL 65 2HG2 VAL 65 6.944 -3.750 3.509 326 H PHE 66 H PHE 66 1.229 -4.440 4.334 327 HA PHE 66 HA PHE 66 0.720 -1.938 5.757 328 HB2 PHE 66 1HB PHE 66 -1.069 -4.198 4.870 329 HB3 PHE 66 2HB PHE 66 -1.637 -2.908 5.928 330 HD1 PHE 66 HD2 PHE 66 -1.314 -0.495 5.072 331 HD2 PHE 66 HD1 PHE 66 -1.159 -3.936 2.573 332 HE1 PHE 66 HE2 PHE 66 -1.761 0.917 3.109 333 HE2 PHE 66 HE1 PHE 66 -1.606 -2.529 0.604 334 HZ PHE 66 HZ PHE 66 -1.905 -0.098 0.873 335 H ASP 67 H ASP 67 1.244 -1.833 7.816 336 HA ASP 67 HA ASP 67 1.207 -4.266 9.463 337 HB2 ASP 67 1HB ASP 67 3.297 -3.028 9.505 338 HB3 ASP 67 2HB ASP 67 2.452 -1.543 9.922 339 H ARG 68 H ARG 68 -0.792 -4.593 10.288 340 HA ARG 68 HA ARG 68 -2.501 -2.391 11.010 341 HB2 ARG 68 1HB ARG 68 -2.848 -5.144 10.444 342 HB3 ARG 68 2HB ARG 68 -3.456 -4.870 12.071 343 HG2 ARG 68 1HG ARG 68 -4.390 -2.758 10.419 344 HG3 ARG 68 2HG ARG 68 -4.700 -4.286 9.594 345 HD2 ARG 68 1HD ARG 68 -5.337 -4.250 12.468 346 HD3 ARG 68 2HD ARG 68 -6.330 -3.196 11.460 347 HE ARG 68 HE ARG 68 -6.042 -5.872 10.443 348 HH11 ARG 68 1HH1 ARG 68 -7.896 -3.787 12.500 349 HH12 ARG 68 2HH1 ARG 68 -9.316 -4.771 12.414 350 HH21 ARG 68 1HH2 ARG 68 -7.885 -7.139 10.323 351 HH22 ARG 68 2HH2 ARG 68 -9.316 -6.659 11.188 352 H LYS 69 H LYS 69 -1.618 -1.247 12.646 353 HA LYS 69 HA LYS 69 -0.759 -2.568 15.092 354 HB2 LYS 69 1HB LYS 69 0.531 -0.674 14.170 355 HB3 LYS 69 2HB LYS 69 -0.867 0.369 14.373 356 HG2 LYS 69 1HG LYS 69 -0.097 -0.996 16.829 357 HG3 LYS 69 2HG LYS 69 1.174 0.037 16.173 358 HD2 LYS 69 1HD LYS 69 0.028 1.938 16.602 359 HD3 LYS 69 2HD LYS 69 -1.527 1.212 16.191 360 HE2 LYS 69 1HE LYS 69 -0.143 0.338 18.680 361 HE3 LYS 69 2HE LYS 69 -0.959 1.901 18.665 362 HZ1 LYS 69 3HZ LYS 69 -2.304 -0.615 17.828 363 HZ2 LYS 69 1HZ LYS 69 -3.023 0.887 18.197 364 HZ3 LYS 69 2HZ LYS 69 -2.323 -0.048 19.429 365 H ASP 70 H ASP 70 -3.413 -0.575 13.920 366 HA ASP 70 HA ASP 70 -4.690 -0.824 16.561 367 HB2 ASP 70 1HB ASP 70 -4.290 1.447 14.992 368 HB3 ASP 70 2HB ASP 70 -5.999 1.065 14.796 369 HA PRO 71 HA PRO 71 -7.641 -3.504 14.597 370 HB2 PRO 71 1HB PRO 71 -9.306 -3.861 16.649 371 HB3 PRO 71 2HB PRO 71 -7.645 -4.466 16.712 372 HG2 PRO 71 1HG PRO 71 -8.796 -1.971 17.910 373 HG3 PRO 71 2HG PRO 71 -7.701 -3.158 18.645 374 HD2 PRO 71 1HD PRO 71 -6.872 -0.783 17.547 375 HD3 PRO 71 2HD PRO 71 -5.847 -2.228 17.666 376 H SER 72 H SER 72 -7.960 -0.685 14.001 377 HA SER 72 HA SER 72 -10.606 0.190 14.511 378 HB2 SER 72 1HB SER 72 -8.967 1.014 12.115 379 HB3 SER 72 2HB SER 72 -10.146 1.968 13.012 380 HG SER 72 HG SER 72 -8.711 2.270 14.617 381 HA PRO 73 HA PRO 73 -12.887 -2.437 11.735 382 HB2 PRO 73 1HB PRO 73 -15.108 -0.860 11.468 383 HB3 PRO 73 2HB PRO 73 -14.793 -1.886 12.870 384 HG2 PRO 73 1HG PRO 73 -14.303 1.048 12.522 385 HG3 PRO 73 2HG PRO 73 -14.999 0.188 13.912 386 HD2 PRO 73 1HD PRO 73 -12.444 1.003 13.909 387 HD3 PRO 73 2HD PRO 73 -12.920 -0.536 14.659 388 H CYS 74 H CYS 74 -12.438 0.991 11.025 389 HA CYS 74 HA CYS 74 -13.174 0.768 8.264 390 HB2 CYS 74 1HB CYS 74 -11.855 3.088 8.296 391 HB3 CYS 74 2HB CYS 74 -13.492 2.933 8.926 392 HG CYS 74 HG CYS 74 -11.478 2.208 11.372 393 H LEU 75 H LEU 75 -10.537 -0.353 9.887 394 HA LEU 75 HA LEU 75 -8.801 -0.092 7.518 395 HB2 LEU 75 1HB LEU 75 -8.112 -0.137 10.446 396 HB3 LEU 75 2HB LEU 75 -6.919 -0.473 9.207 397 HG LEU 75 HG LEU 75 -8.500 2.087 9.256 398 HD11 LEU 75 1HD1 LEU 75 -6.085 1.289 10.801 399 HD12 LEU 75 2HD1 LEU 75 -7.442 2.312 11.275 400 HD13 LEU 75 3HD1 LEU 75 -6.203 2.936 10.184 401 HD21 LEU 75 3HD2 LEU 75 -6.237 0.981 7.698 402 HD22 LEU 75 1HD2 LEU 75 -6.159 2.690 8.127 403 HD23 LEU 75 2HD2 LEU 75 -7.530 2.075 7.203 404 H ASP 76 H ASP 76 -10.823 -2.185 8.668 405 HA ASP 76 HA ASP 76 -9.290 -4.521 9.201 406 HB2 ASP 76 1HB ASP 76 -11.784 -3.969 9.745 407 HB3 ASP 76 2HB ASP 76 -12.093 -4.622 8.139 408 H GLN 77 H GLN 77 -10.840 -3.257 6.271 409 HA GLN 77 HA GLN 77 -9.355 -5.283 4.731 410 HB2 GLN 77 1HB GLN 77 -12.165 -4.874 4.848 411 HB3 GLN 77 2HB GLN 77 -11.623 -4.372 3.252 412 HG2 GLN 77 1HG GLN 77 -10.350 -6.638 3.268 413 HG3 GLN 77 2HG GLN 77 -11.499 -7.061 4.536 414 HE21 GLN 77 2HE2 GLN 77 -11.905 -8.697 2.744 415 HE22 GLN 77 1HE2 GLN 77 -13.150 -8.285 1.613 416 H ILE 78 H ILE 78 -8.239 -4.612 2.967 417 HA ILE 78 HA ILE 78 -8.415 -1.742 2.299 418 HB ILE 78 HB ILE 78 -6.289 -2.138 3.375 419 HG12 ILE 78 1HG1 ILE 78 -5.064 -2.025 0.784 420 HG13 ILE 78 2HG1 ILE 78 -6.595 -1.160 0.731 421 HG21 ILE 78 1HG2 ILE 78 -5.908 -4.331 1.347 422 HG22 ILE 78 2HG2 ILE 78 -6.025 -4.500 3.098 423 HG23 ILE 78 3HG2 ILE 78 -4.626 -3.699 2.381 424 HD11 ILE 78 3HD1 ILE 78 -4.443 0.105 1.360 425 HD12 ILE 78 1HD1 ILE 78 -4.657 -0.649 2.939 426 HD13 ILE 78 2HD1 ILE 78 -5.917 0.399 2.286 427 H VAL 79 H VAL 79 -8.815 -1.233 0.238 428 HA VAL 79 HA VAL 79 -8.368 -3.274 -1.818 429 HB VAL 79 HB VAL 79 -10.615 -3.647 -1.664 430 HG11 VAL 79 1HG1 VAL 79 -12.281 -2.182 -0.886 431 HG12 VAL 79 2HG1 VAL 79 -11.249 -0.767 -1.110 432 HG13 VAL 79 3HG1 VAL 79 -10.878 -1.940 0.155 433 HG21 VAL 79 3HG2 VAL 79 -10.479 -3.065 -3.910 434 HG22 VAL 79 1HG2 VAL 79 -10.272 -1.348 -3.557 435 HG23 VAL 79 2HG2 VAL 79 -11.846 -2.114 -3.333 436 H PHE 80 H PHE 80 -7.472 -2.576 -3.593 437 HA PHE 80 HA PHE 80 -6.938 0.280 -3.910 438 HB2 PHE 80 1HB PHE 80 -5.785 -2.257 -5.032 439 HB3 PHE 80 2HB PHE 80 -5.537 -0.752 -5.899 440 HD1 PHE 80 HD1 PHE 80 -5.164 -2.200 -2.483 441 HD2 PHE 80 HD2 PHE 80 -3.686 0.522 -5.404 442 HE1 PHE 80 HE1 PHE 80 -3.235 -1.703 -1.039 443 HE2 PHE 80 HE2 PHE 80 -1.754 1.025 -3.961 444 HZ PHE 80 HZ PHE 80 -1.527 -0.091 -1.777 445 HA PRO 81 HA PRO 81 -10.568 0.166 -6.645 446 HB2 PRO 81 1HB PRO 81 -10.000 3.060 -6.767 447 HB3 PRO 81 2HB PRO 81 -11.479 2.215 -6.317 448 HG2 PRO 81 1HG PRO 81 -9.965 3.443 -4.486 449 HG3 PRO 81 2HG PRO 81 -10.825 1.935 -4.128 450 HD2 PRO 81 1HD PRO 81 -7.934 2.368 -4.746 451 HD3 PRO 81 2HD PRO 81 -8.684 1.274 -3.568 452 H ASP 82 H ASP 82 -7.363 1.324 -7.266 453 HA ASP 82 HA ASP 82 -7.969 1.664 -10.113 454 HB2 ASP 82 1HB ASP 82 -5.586 2.478 -8.452 455 HB3 ASP 82 2HB ASP 82 -5.638 2.621 -10.207 456 H PHE 83 H PHE 83 -6.753 -0.702 -8.022 457 HA PHE 83 HA PHE 83 -5.350 -2.013 -10.263 458 HB2 PHE 83 1HB PHE 83 -4.742 -2.029 -7.317 459 HB3 PHE 83 2HB PHE 83 -4.137 -3.295 -8.380 460 HD1 PHE 83 HD1 PHE 83 -4.032 0.318 -7.658 461 HD2 PHE 83 HD2 PHE 83 -2.321 -2.902 -9.854 462 HE1 PHE 83 HE1 PHE 83 -2.143 1.755 -8.287 463 HE2 PHE 83 HE2 PHE 83 -0.423 -1.465 -10.485 464 HZ PHE 83 HZ PHE 83 -0.338 0.869 -9.700 465 H GLY 84 H GLY 84 -7.861 -2.278 -7.909 466 HA2 GLY 84 1HA GLY 84 -9.623 -3.819 -7.935 467 HA3 GLY 84 2HA GLY 84 -8.717 -4.806 -9.072 468 H VAL 85 H VAL 85 -6.659 -4.002 -6.649 469 HA VAL 85 HA VAL 85 -6.714 -6.662 -5.541 470 HB VAL 85 HB VAL 85 -4.923 -4.281 -5.062 471 HG11 VAL 85 1HG1 VAL 85 -4.196 -5.201 -3.185 472 HG12 VAL 85 2HG1 VAL 85 -3.707 -6.631 -4.094 473 HG13 VAL 85 3HG1 VAL 85 -5.316 -6.549 -3.377 474 HG21 VAL 85 3HG2 VAL 85 -3.246 -5.795 -6.151 475 HG22 VAL 85 1HG2 VAL 85 -4.553 -5.247 -7.200 476 HG23 VAL 85 2HG2 VAL 85 -4.580 -6.882 -6.538 477 H HIS 86 H HIS 86 -8.006 -7.194 -3.911 478 HA HIS 86 HA HIS 86 -8.379 -5.261 -1.732 479 HB2 HIS 86 1HB HIS 86 -10.748 -6.079 -1.500 480 HB3 HIS 86 2HB HIS 86 -10.431 -5.119 -2.936 481 HD1 HIS 86 HD1 HIS 86 -9.884 -6.792 -5.164 482 HD2 HIS 86 HD2 HIS 86 -12.210 -8.245 -2.035 483 HE1 HIS 86 HE1 HIS 86 -11.161 -8.736 -6.118 484 H ALA 87 H ALA 87 -7.758 -6.049 0.156 485 HA ALA 87 HA ALA 87 -8.057 -8.922 0.692 486 HB1 ALA 87 3HB ALA 87 -5.881 -9.387 0.718 487 HB2 ALA 87 1HB ALA 87 -5.518 -7.970 1.706 488 HB3 ALA 87 2HB ALA 87 -5.618 -7.821 -0.050 489 H ASN 88 H ASN 88 -7.727 -9.490 2.969 490 HA ASN 88 HA ASN 88 -8.674 -7.343 4.730 491 HB2 ASN 88 1HB ASN 88 -8.590 -10.019 5.900 492 HB3 ASN 88 2HB ASN 88 -9.931 -8.887 5.791 493 HD21 ASN 88 2HD2 ASN 88 -8.509 -11.712 4.547 494 HD22 ASN 88 1HD2 ASN 88 -9.662 -12.019 3.298 495 H LEU 89 H LEU 89 -7.386 -6.505 6.265 496 HA LEU 89 HA LEU 89 -4.677 -7.513 6.471 497 HB2 LEU 89 1HB LEU 89 -5.936 -5.152 7.860 498 HB3 LEU 89 2HB LEU 89 -4.223 -5.518 7.775 499 HG LEU 89 HG LEU 89 -5.942 -4.872 5.379 500 HD11 LEU 89 1HD1 LEU 89 -4.143 -3.150 7.065 501 HD12 LEU 89 2HD1 LEU 89 -5.840 -2.891 6.660 502 HD13 LEU 89 3HD1 LEU 89 -4.602 -2.731 5.415 503 HD21 LEU 89 3HD2 LEU 89 -3.559 -4.440 4.455 504 HD22 LEU 89 1HD2 LEU 89 -4.155 -6.097 4.560 505 HD23 LEU 89 2HD2 LEU 89 -3.041 -5.483 5.780 506 HA PRO 90 HA PRO 90 -5.526 -9.763 10.215 507 HB2 PRO 90 1HB PRO 90 -3.017 -10.658 10.650 508 HB3 PRO 90 2HB PRO 90 -4.048 -11.316 9.377 509 HG2 PRO 90 1HG PRO 90 -1.784 -9.384 9.175 510 HG3 PRO 90 2HG PRO 90 -2.263 -10.678 8.062 511 HD2 PRO 90 1HD PRO 90 -2.836 -7.994 7.716 512 HD3 PRO 90 2HD PRO 90 -3.711 -9.329 6.946 513 H MET 91 H MET 91 -5.811 -8.860 12.153 514 HA MET 91 HA MET 91 -4.486 -6.533 13.020 515 HB2 MET 91 1HB MET 91 -6.730 -7.053 13.763 516 HB3 MET 91 2HB MET 91 -6.166 -8.518 14.553 517 HG2 MET 91 1HG MET 91 -6.613 -6.637 16.099 518 HG3 MET 91 2HG MET 91 -4.972 -7.268 16.187 519 HE1 MET 91 3HE MET 91 -3.307 -5.551 16.854 520 HE2 MET 91 1HE MET 91 -4.742 -4.892 17.638 521 HE3 MET 91 2HE MET 91 -3.645 -3.822 16.765 522 H GLY 92 H GLY 92 -2.607 -6.236 13.997 523 HA2 GLY 92 1HA GLY 92 -0.852 -6.623 15.480 524 HA3 GLY 92 2HA GLY 92 -1.519 -8.211 15.821 525 H GLU 93 H GLU 93 -1.330 -7.773 12.508 526 HA GLU 93 HA GLU 93 1.381 -8.900 12.359 527 HB2 GLU 93 1HB GLU 93 -1.057 -9.980 10.936 528 HB3 GLU 93 2HB GLU 93 0.591 -10.513 10.647 529 HG2 GLU 93 1HG GLU 93 0.731 -11.270 12.981 530 HG3 GLU 93 2HG GLU 93 -0.945 -10.779 13.223 531 H GLU 94 H GLU 94 1.970 -9.098 9.877 532 HA GLU 94 HA GLU 94 1.255 -6.523 8.634 533 HB2 GLU 94 1HB GLU 94 3.863 -8.034 8.636 534 HB3 GLU 94 2HB GLU 94 3.530 -6.725 7.514 535 HG2 GLU 94 1HG GLU 94 4.306 -5.322 9.033 536 HG3 GLU 94 2HG GLU 94 2.895 -5.696 10.019 537 H TYR 95 H TYR 95 0.478 -6.525 6.624 538 HA TYR 95 HA TYR 95 0.608 -9.041 5.088 539 HB2 TYR 95 1HB TYR 95 -1.677 -8.414 6.031 540 HB3 TYR 95 2HB TYR 95 -1.663 -7.053 4.918 541 HD1 TYR 95 HD1 TYR 95 0.015 -9.510 3.178 542 HD2 TYR 95 HD2 TYR 95 -3.899 -8.587 4.562 543 HE1 TYR 95 HE1 TYR 95 -0.936 -10.960 1.437 544 HE2 TYR 95 HE2 TYR 95 -4.859 -10.034 2.826 545 HH TYR 95 HH TYR 95 -2.889 -11.442 0.305 546 H VAL 96 H VAL 96 1.783 -8.848 3.315 547 HA VAL 96 HA VAL 96 2.232 -6.188 2.212 548 HB VAL 96 HB VAL 96 4.136 -7.795 2.802 549 HG11 VAL 96 1HG1 VAL 96 4.489 -9.687 1.677 550 HG12 VAL 96 2HG1 VAL 96 4.143 -8.925 0.123 551 HG13 VAL 96 3HG1 VAL 96 2.822 -9.530 1.122 552 HG21 VAL 96 3HG2 VAL 96 5.338 -7.122 0.589 553 HG22 VAL 96 1HG2 VAL 96 4.809 -5.885 1.729 554 HG23 VAL 96 2HG2 VAL 96 3.850 -6.224 0.289 555 H VAL 97 H VAL 97 1.456 -5.501 0.364 556 HA VAL 97 HA VAL 97 -0.045 -7.381 -1.335 557 HB VAL 97 HB VAL 97 -0.271 -4.387 -0.986 558 HG11 VAL 97 1HG1 VAL 97 -1.991 -4.360 -2.678 559 HG12 VAL 97 2HG1 VAL 97 -1.816 -6.095 -2.935 560 HG13 VAL 97 3HG1 VAL 97 -0.505 -5.002 -3.377 561 HG21 VAL 97 3HG2 VAL 97 -2.616 -4.994 -0.378 562 HG22 VAL 97 1HG2 VAL 97 -1.390 -5.598 0.737 563 HG23 VAL 97 2HG2 VAL 97 -2.131 -6.689 -0.433 564 H GLU 98 H GLU 98 1.001 -8.024 -3.115 565 HA GLU 98 HA GLU 98 3.121 -6.340 -4.221 566 HB2 GLU 98 1HB GLU 98 2.478 -9.236 -4.301 567 HB3 GLU 98 2HB GLU 98 3.279 -8.565 -5.715 568 HG2 GLU 98 1HG GLU 98 5.214 -8.113 -4.581 569 HG3 GLU 98 2HG GLU 98 4.391 -7.943 -3.032 570 H ILE 99 H ILE 99 2.727 -5.045 -5.874 571 HA ILE 99 HA ILE 99 0.779 -5.872 -7.925 572 HB ILE 99 HB ILE 99 0.387 -3.229 -8.047 573 HG12 ILE 99 1HG1 ILE 99 0.663 -3.743 -5.078 574 HG13 ILE 99 2HG1 ILE 99 1.852 -2.865 -6.034 575 HG21 ILE 99 1HG2 ILE 99 -1.075 -5.129 -6.221 576 HG22 ILE 99 2HG2 ILE 99 -1.354 -4.908 -7.950 577 HG23 ILE 99 3HG2 ILE 99 -1.710 -3.598 -6.824 578 HD11 ILE 99 3HD1 ILE 99 0.689 -0.992 -5.857 579 HD12 ILE 99 1HD1 ILE 99 -0.385 -1.830 -4.738 580 HD13 ILE 99 2HD1 ILE 99 -0.773 -1.778 -6.458 581 H THR 100 H THR 100 1.081 -4.844 -10.004 582 HA THR 100 HA THR 100 3.842 -3.882 -10.399 583 HB THR 100 HB THR 100 2.286 -5.349 -12.518 584 HG1 THR 100 HG1 THR 100 3.286 -7.250 -11.809 585 HG21 THR 100 3HG2 THR 100 4.360 -3.979 -13.044 586 HG22 THR 100 1HG2 THR 100 4.395 -5.667 -13.553 587 HG23 THR 100 2HG2 THR 100 5.266 -5.165 -12.104 588 HA PRO 101 HA PRO 101 1.291 -0.408 -11.906 589 HB2 PRO 101 1HB PRO 101 3.163 1.493 -11.475 590 HB3 PRO 101 2HB PRO 101 2.148 0.853 -10.176 591 HG2 PRO 101 1HG PRO 101 4.964 0.135 -10.909 592 HG3 PRO 101 2HG PRO 101 4.270 0.425 -9.305 593 HD2 PRO 101 1HD PRO 101 4.682 -2.062 -10.298 594 HD3 PRO 101 2HD PRO 101 3.357 -1.683 -9.178 595 H GLU 102 H GLU 102 1.266 -0.983 -14.088 596 HA GLU 102 HA GLU 102 3.683 -0.508 -15.668 597 HB2 GLU 102 1HB GLU 102 1.032 -1.746 -16.423 598 HB3 GLU 102 2HB GLU 102 2.399 -1.567 -17.515 599 HG2 GLU 102 1HG GLU 102 3.384 -3.395 -16.727 600 HG3 GLU 102 2HG GLU 102 3.155 -2.890 -15.055 601 H GLN 103 H GLN 103 1.945 1.637 -14.491 602 HA GLN 103 HA GLN 103 1.804 3.284 -16.874 603 HB2 GLN 103 1HB GLN 103 -0.549 2.140 -15.707 604 HB3 GLN 103 2HB GLN 103 -0.574 3.878 -15.434 605 HG2 GLN 103 1HG GLN 103 -1.292 4.173 -17.503 606 HG3 GLN 103 2HG GLN 103 0.209 3.481 -18.112 607 HE21 GLN 103 2HE2 GLN 103 0.266 1.083 -18.230 608 HE22 GLN 103 1HE2 GLN 103 -1.187 0.274 -18.710 609 H ALA 104 H ALA 104 2.459 5.319 -16.442 610 HA ALA 104 HA ALA 104 3.091 5.977 -13.678 611 HB1 ALA 104 3HB ALA 104 4.918 6.676 -14.765 612 HB2 ALA 104 1HB ALA 104 3.960 8.106 -15.149 613 HB3 ALA 104 2HB ALA 104 4.077 6.785 -16.312 614 H GLY 105 H GLY 105 1.991 7.347 -12.455 615 HA2 GLY 105 1HA GLY 105 0.793 9.712 -13.085 616 HA3 GLY 105 2HA GLY 105 -0.445 8.517 -13.443 617 H GLU 106 H GLU 106 -1.710 9.561 -11.789 618 HA GLU 106 HA GLU 106 -0.802 9.075 -9.043 619 HB2 GLU 106 1HB GLU 106 -2.362 11.146 -10.308 620 HB3 GLU 106 2HB GLU 106 -3.269 10.422 -8.987 621 HG2 GLU 106 1HG GLU 106 -1.698 11.051 -7.396 622 HG3 GLU 106 2HG GLU 106 -0.432 11.291 -8.601 623 H PHE 107 H PHE 107 -1.546 7.423 -7.938 624 HA PHE 107 HA PHE 107 -4.071 6.144 -8.789 625 HB2 PHE 107 1HB PHE 107 -1.550 4.935 -7.637 626 HB3 PHE 107 2HB PHE 107 -3.066 4.049 -7.751 627 HD1 PHE 107 HD1 PHE 107 -0.313 5.562 -9.643 628 HD2 PHE 107 HD2 PHE 107 -3.873 3.252 -9.853 629 HE1 PHE 107 HE1 PHE 107 0.241 4.924 -11.955 630 HE2 PHE 107 HE2 PHE 107 -3.329 2.607 -12.164 631 HZ PHE 107 HZ PHE 107 -1.267 3.445 -13.218 632 H SER 108 H SER 108 -5.170 4.932 -6.917 633 HA SER 108 HA SER 108 -4.687 6.232 -4.340 634 HB2 SER 108 1HB SER 108 -7.023 6.853 -4.071 635 HB3 SER 108 2HB SER 108 -6.382 7.588 -5.539 636 HG SER 108 HG SER 108 -7.303 5.616 -6.605 637 H PHE 109 H PHE 109 -5.658 5.222 -2.537 638 HA PHE 109 HA PHE 109 -6.991 2.671 -2.871 639 HB2 PHE 109 1HB PHE 109 -5.377 1.442 -1.437 640 HB3 PHE 109 2HB PHE 109 -4.690 1.929 -2.978 641 HD1 PHE 109 HD2 PHE 109 -2.977 3.687 -3.078 642 HD2 PHE 109 HD1 PHE 109 -4.555 2.312 0.634 643 HE1 PHE 109 HE2 PHE 109 -1.091 4.723 -1.889 644 HE2 PHE 109 HE1 PHE 109 -2.665 3.341 1.824 645 HZ PHE 109 HZ PHE 109 -0.930 4.551 0.561 646 H ALA 110 H ALA 110 -8.474 2.377 -1.301 647 HA ALA 110 HA ALA 110 -8.113 3.377 1.367 648 HB1 ALA 110 3HB ALA 110 -9.517 5.014 -0.593 649 HB2 ALA 110 1HB ALA 110 -8.892 5.439 1.002 650 HB3 ALA 110 2HB ALA 110 -10.476 4.676 0.847 651 H CYS 111 H CYS 111 -10.359 3.253 2.564 652 HA CYS 111 HA CYS 111 -11.676 0.766 1.697 653 HB2 CYS 111 1HB CYS 111 -10.430 0.345 3.718 654 HB3 CYS 111 2HB CYS 111 -11.103 1.777 4.488 655 HG CYS 111 HG CYS 111 -13.780 0.610 4.304 656 H GLY 112 H GLY 112 -13.835 0.790 1.448 657 HA2 GLY 112 1HA GLY 112 -15.225 3.301 1.607 658 HA3 GLY 112 2HA GLY 112 -15.897 1.770 1.070 659 H MET 113 H MET 113 -14.938 3.554 3.981 660 HA MET 113 HA MET 113 -17.163 2.239 5.400 661 HB2 MET 113 1HB MET 113 -14.523 1.845 5.997 662 HB3 MET 113 2HB MET 113 -14.937 3.164 7.082 663 HG2 MET 113 1HG MET 113 -15.693 1.617 8.477 664 HG3 MET 113 2HG MET 113 -17.046 1.407 7.367 665 HE1 MET 113 3HE MET 113 -16.651 -1.978 5.906 666 HE2 MET 113 1HE MET 113 -17.019 -0.339 5.368 667 HE3 MET 113 2HE MET 113 -17.732 -0.960 6.857 668 H ASN 114 H ASN 114 -14.924 5.006 5.795 669 HA ASN 114 HA ASN 114 -17.187 6.811 6.001 670 HB2 ASN 114 1HB ASN 114 -15.975 5.766 8.345 671 HB3 ASN 114 2HB ASN 114 -15.490 7.454 8.217 672 HD21 ASN 114 2HD2 ASN 114 -18.479 5.746 7.351 673 HD22 ASN 114 1HD2 ASN 114 -19.514 6.741 8.319 674 H MET 115 H MET 115 -13.951 7.370 7.312 675 HA MET 115 HA MET 115 -13.404 9.142 5.022 676 HB2 MET 115 1HB MET 115 -13.768 9.878 7.726 677 HB3 MET 115 2HB MET 115 -12.051 10.047 7.388 678 HG2 MET 115 1HG MET 115 -12.687 11.396 5.368 679 HG3 MET 115 2HG MET 115 -14.343 11.377 5.973 680 HE1 MET 115 3HE MET 115 -14.522 14.205 8.320 681 HE2 MET 115 1HE MET 115 -15.157 12.571 8.136 682 HE3 MET 115 2HE MET 115 -15.064 13.643 6.739 683 H MET 116 H MET 116 -11.780 8.310 3.898 684 HA MET 116 HA MET 116 -9.412 7.343 5.352 685 HB2 MET 116 1HB MET 116 -10.827 6.018 3.044 686 HB3 MET 116 2HB MET 116 -9.149 5.665 3.437 687 HG2 MET 116 1HG MET 116 -10.995 5.488 5.704 688 HG3 MET 116 2HG MET 116 -11.296 4.326 4.414 689 HE1 MET 116 3HE MET 116 -9.211 5.620 7.165 690 HE2 MET 116 1HE MET 116 -7.767 5.714 6.157 691 HE3 MET 116 2HE MET 116 -7.898 4.467 7.397 692 H HIS 117 H HIS 117 -7.400 7.483 4.127 693 HA HIS 117 HA HIS 117 -7.450 9.104 1.710 694 HB2 HIS 117 1HB HIS 117 -6.872 10.210 4.316 695 HB3 HIS 117 2HB HIS 117 -5.473 10.356 3.258 696 HD1 HIS 117 HD1 HIS 117 -9.116 10.683 2.252 697 HD2 HIS 117 HD2 HIS 117 -5.660 12.986 2.540 698 HE1 HIS 117 HE1 HIS 117 -9.693 12.909 1.221 699 H GLY 118 H GLY 118 -6.330 7.771 0.430 700 HA2 GLY 118 1HA GLY 118 -3.549 7.191 1.170 701 HA3 GLY 118 2HA GLY 118 -4.584 5.843 0.717 702 H LYS 119 H LYS 119 -2.359 8.029 -0.435 703 HA LYS 119 HA LYS 119 -3.362 7.713 -3.193 704 HB2 LYS 119 1HB LYS 119 -3.306 10.073 -2.180 705 HB3 LYS 119 2HB LYS 119 -1.559 9.956 -2.321 706 HG2 LYS 119 1HG LYS 119 -1.587 10.224 -4.556 707 HG3 LYS 119 2HG LYS 119 -3.074 9.295 -4.757 708 HD2 LYS 119 1HD LYS 119 -3.778 11.420 -5.315 709 HD3 LYS 119 2HD LYS 119 -4.185 11.354 -3.599 710 HE2 LYS 119 1HE LYS 119 -2.535 12.819 -3.011 711 HE3 LYS 119 2HE LYS 119 -1.486 12.344 -4.346 712 HZ1 LYS 119 3HZ LYS 119 -3.988 13.881 -4.741 713 HZ2 LYS 119 1HZ LYS 119 -2.736 13.634 -5.862 714 HZ3 LYS 119 2HZ LYS 119 -2.488 14.622 -4.502 715 H MET 120 H MET 120 -1.871 7.317 -4.836 716 HA MET 120 HA MET 120 0.854 6.582 -3.994 717 HB2 MET 120 1HB MET 120 -0.615 4.568 -4.140 718 HB3 MET 120 2HB MET 120 -0.900 4.941 -5.829 719 HG2 MET 120 1HG MET 120 1.176 4.276 -6.472 720 HG3 MET 120 2HG MET 120 1.904 4.665 -4.918 721 HE1 MET 120 3HE MET 120 0.716 1.675 -7.130 722 HE2 MET 120 1HE MET 120 -0.744 2.510 -6.596 723 HE3 MET 120 2HE MET 120 -0.402 0.878 -6.023 724 H ILE 121 H ILE 121 2.439 7.252 -5.376 725 HA ILE 121 HA ILE 121 1.546 8.335 -7.976 726 HB ILE 121 HB ILE 121 3.733 9.395 -6.180 727 HG12 ILE 121 1HG1 ILE 121 2.099 11.489 -6.769 728 HG13 ILE 121 2HG1 ILE 121 0.939 10.164 -6.762 729 HG21 ILE 121 1HG2 ILE 121 4.024 11.147 -7.909 730 HG22 ILE 121 2HG2 ILE 121 2.943 10.238 -8.967 731 HG23 ILE 121 3HG2 ILE 121 4.485 9.538 -8.468 732 HD11 ILE 121 3HD1 ILE 121 1.306 11.441 -4.593 733 HD12 ILE 121 1HD1 ILE 121 2.848 10.590 -4.496 734 HD13 ILE 121 2HD1 ILE 121 1.336 9.679 -4.519 735 H VAL 122 H VAL 122 2.307 7.284 -9.666 736 HA VAL 122 HA VAL 122 4.740 5.664 -9.359 737 HB VAL 122 HB VAL 122 2.571 5.516 -11.462 738 HG11 VAL 122 1HG1 VAL 122 4.721 3.473 -11.024 739 HG12 VAL 122 2HG1 VAL 122 4.964 4.842 -12.110 740 HG13 VAL 122 3HG1 VAL 122 3.663 3.692 -12.418 741 HG21 VAL 122 3HG2 VAL 122 3.148 3.351 -9.497 742 HG22 VAL 122 1HG2 VAL 122 1.641 3.754 -10.320 743 HG23 VAL 122 2HG2 VAL 122 2.206 4.748 -8.977 744 H GLU 123 H GLU 123 6.567 6.349 -10.229 745 HA GLU 123 HA GLU 123 8.080 7.625 -11.361 746 HB2 GLU 123 1HB GLU 123 6.766 6.111 -13.159 747 HB3 GLU 123 2HB GLU 123 6.417 7.707 -13.808 748 HG2 GLU 123 1HG GLU 123 8.477 7.941 -14.610 749 HG3 GLU 123 2HG GLU 123 9.215 7.389 -13.107 Start of MODEL 18 1 HA2 GLY 26 1HA GLY 26 4.968 18.677 7.384 2 HA3 GLY 26 2HA GLY 26 4.771 18.104 9.033 3 H ALA 27 H ALA 27 3.483 15.744 7.269 4 HA ALA 27 HA ALA 27 5.892 14.110 7.422 5 HB1 ALA 27 3HB ALA 27 4.431 12.215 7.109 6 HB2 ALA 27 1HB ALA 27 3.083 13.279 6.707 7 HB3 ALA 27 2HB ALA 27 3.753 13.282 8.338 8 H MET 28 H MET 28 3.662 15.351 5.003 9 HA MET 28 HA MET 28 3.717 15.477 2.740 10 HB2 MET 28 1HB MET 28 6.445 15.756 3.620 11 HB3 MET 28 2HB MET 28 6.402 14.947 2.059 12 HG2 MET 28 1HG MET 28 6.097 16.889 1.058 13 HG3 MET 28 2HG MET 28 4.595 17.124 1.949 14 HE1 MET 28 3HE MET 28 7.878 18.796 1.143 15 HE2 MET 28 1HE MET 28 8.442 17.416 2.085 16 HE3 MET 28 2HE MET 28 8.653 19.052 2.706 17 H GLY 29 H GLY 29 5.353 14.139 0.831 18 HA2 GLY 29 1HA GLY 29 4.052 11.555 0.864 19 HA3 GLY 29 2HA GLY 29 5.009 12.221 -0.448 20 H GLN 30 H GLN 30 5.083 9.540 0.628 21 HA GLN 30 HA GLN 30 7.832 9.505 1.700 22 HB2 GLN 30 1HB GLN 30 5.420 8.123 2.542 23 HB3 GLN 30 2HB GLN 30 6.730 6.999 2.209 24 HG2 GLN 30 1HG GLN 30 7.102 7.434 4.416 25 HG3 GLN 30 2HG GLN 30 8.123 8.663 3.671 26 HE21 GLN 30 2HE2 GLN 30 7.394 10.831 3.653 27 HE22 GLN 30 1HE2 GLN 30 6.211 11.383 4.784 28 H LYS 31 H LYS 31 9.351 8.545 0.537 29 HA LYS 31 HA LYS 31 8.613 7.262 -1.962 30 HB2 LYS 31 1HB LYS 31 10.826 8.812 -1.048 31 HB3 LYS 31 2HB LYS 31 11.428 7.249 -1.585 32 HG2 LYS 31 1HG LYS 31 10.519 7.543 -3.749 33 HG3 LYS 31 2HG LYS 31 9.593 8.954 -3.239 34 HD2 LYS 31 1HD LYS 31 11.410 9.882 -4.360 35 HD3 LYS 31 2HD LYS 31 11.895 9.973 -2.665 36 HE2 LYS 31 1HE LYS 31 13.051 7.757 -3.017 37 HE3 LYS 31 2HE LYS 31 12.771 7.984 -4.743 38 HZ1 LYS 31 3HZ LYS 31 14.054 10.009 -4.673 39 HZ2 LYS 31 1HZ LYS 31 14.979 8.739 -4.045 40 HZ3 LYS 31 2HZ LYS 31 14.271 9.867 -3.003 41 H ALA 32 H ALA 32 8.683 5.150 -2.330 42 HA ALA 32 HA ALA 32 9.150 3.337 -0.172 43 HB1 ALA 32 3HB ALA 32 8.637 1.585 -1.836 44 HB2 ALA 32 1HB ALA 32 8.604 2.825 -3.091 45 HB3 ALA 32 2HB ALA 32 7.420 2.865 -1.782 46 H GLN 33 H GLN 33 10.692 1.630 -0.085 47 HA GLN 33 HA GLN 33 13.299 2.459 -1.004 48 HB2 GLN 33 1HB GLN 33 14.179 0.721 0.385 49 HB3 GLN 33 2HB GLN 33 12.897 1.519 1.275 50 HG2 GLN 33 1HG GLN 33 11.384 -0.358 0.486 51 HG3 GLN 33 2HG GLN 33 12.853 -1.182 -0.031 52 HE21 GLN 33 2HE2 GLN 33 12.021 0.733 2.840 53 HE22 GLN 33 1HE2 GLN 33 12.466 -0.481 3.983 54 H GLN 34 H GLN 34 14.609 1.466 -2.475 55 HA GLN 34 HA GLN 34 13.282 -0.397 -4.301 56 HB2 GLN 34 1HB GLN 34 15.809 1.237 -4.608 57 HB3 GLN 34 2HB GLN 34 15.179 0.146 -5.833 58 HG2 GLN 34 1HG GLN 34 13.044 1.540 -5.726 59 HG3 GLN 34 2HG GLN 34 14.010 2.721 -4.843 60 HE21 GLN 34 2HE2 GLN 34 13.010 1.704 -7.852 61 HE22 GLN 34 1HE2 GLN 34 14.155 2.578 -8.815 62 H LYS 35 H LYS 35 13.622 -2.488 -4.000 63 HA LYS 35 HA LYS 35 16.060 -3.384 -2.651 64 HB2 LYS 35 1HB LYS 35 13.699 -5.090 -3.431 65 HB3 LYS 35 2HB LYS 35 14.923 -5.431 -2.218 66 HG2 LYS 35 1HG LYS 35 13.368 -2.973 -1.781 67 HG3 LYS 35 2HG LYS 35 12.461 -4.482 -1.668 68 HD2 LYS 35 1HD LYS 35 15.015 -4.628 -0.292 69 HD3 LYS 35 2HD LYS 35 14.001 -3.326 0.327 70 HE2 LYS 35 1HE LYS 35 12.229 -5.412 0.073 71 HE3 LYS 35 2HE LYS 35 13.710 -6.218 0.589 72 HZ1 LYS 35 3HZ LYS 35 11.959 -5.091 2.263 73 HZ2 LYS 35 1HZ LYS 35 13.040 -3.791 2.047 74 HZ3 LYS 35 2HZ LYS 35 13.606 -5.289 2.616 75 H ASN 36 H ASN 36 15.738 -6.104 -3.818 76 HA ASN 36 HA ASN 36 17.489 -5.707 -6.075 77 HB2 ASN 36 1HB ASN 36 17.541 -7.551 -4.194 78 HB3 ASN 36 2HB ASN 36 16.463 -8.404 -5.295 79 HD21 ASN 36 2HD2 ASN 36 17.234 -9.018 -7.333 80 HD22 ASN 36 1HD2 ASN 36 18.926 -9.134 -7.657 81 H GLY 37 H GLY 37 15.738 -4.609 -7.363 82 HA2 GLY 37 1HA GLY 37 14.783 -4.945 -9.512 83 HA3 GLY 37 2HA GLY 37 14.496 -6.623 -9.097 84 H TYR 38 H TYR 38 13.436 -5.089 -6.458 85 HA TYR 38 HA TYR 38 10.825 -4.325 -7.534 86 HB2 TYR 38 1HB TYR 38 9.620 -5.724 -5.940 87 HB3 TYR 38 2HB TYR 38 10.648 -6.720 -6.960 88 HD1 TYR 38 HD2 TYR 38 12.841 -7.570 -5.995 89 HD2 TYR 38 HD1 TYR 38 9.812 -5.788 -3.596 90 HE1 TYR 38 HE2 TYR 38 13.828 -8.601 -3.993 91 HE2 TYR 38 HE1 TYR 38 10.792 -6.814 -1.588 92 HH TYR 38 HH TYR 38 12.467 -8.018 -0.765 93 H GLN 39 H GLN 39 9.466 -3.185 -5.918 94 HA GLN 39 HA GLN 39 11.195 -1.758 -4.000 95 HB2 GLN 39 1HB GLN 39 8.594 -0.555 -4.731 96 HB3 GLN 39 2HB GLN 39 10.147 0.210 -4.449 97 HG2 GLN 39 1HG GLN 39 10.447 -1.286 -6.797 98 HG3 GLN 39 2HG GLN 39 8.884 -0.480 -6.922 99 HE21 GLN 39 2HE2 GLN 39 9.379 1.857 -5.569 100 HE22 GLN 39 1HE2 GLN 39 10.559 2.781 -6.428 101 H GLU 40 H GLU 40 10.273 -1.064 -1.995 102 HA GLU 40 HA GLU 40 7.862 -2.467 -1.110 103 HB2 GLU 40 1HB GLU 40 9.881 -3.918 -0.682 104 HB3 GLU 40 2HB GLU 40 10.453 -2.680 0.426 105 HG2 GLU 40 1HG GLU 40 7.941 -3.096 1.360 106 HG3 GLU 40 2HG GLU 40 8.358 -4.703 0.764 107 H ILE 41 H ILE 41 6.772 -1.470 0.550 108 HA ILE 41 HA ILE 41 8.030 0.791 1.908 109 HB ILE 41 HB ILE 41 7.039 1.979 0.120 110 HG12 ILE 41 1HG1 ILE 41 4.725 2.672 1.553 111 HG13 ILE 41 2HG1 ILE 41 5.892 2.168 2.766 112 HG21 ILE 41 1HG2 ILE 41 4.931 -0.051 0.340 113 HG22 ILE 41 2HG2 ILE 41 5.565 0.783 -1.079 114 HG23 ILE 41 3HG2 ILE 41 4.371 1.577 -0.046 115 HD11 ILE 41 3HD1 ILE 41 6.104 4.512 2.484 116 HD12 ILE 41 1HD1 ILE 41 6.197 4.357 0.727 117 HD13 ILE 41 2HD1 ILE 41 7.518 3.765 1.737 118 H ARG 42 H ARG 42 7.539 0.829 4.003 119 HA ARG 42 HA ARG 42 5.520 -1.007 4.997 120 HB2 ARG 42 1HB ARG 42 8.018 -0.295 5.912 121 HB3 ARG 42 2HB ARG 42 6.945 0.593 6.986 122 HG2 ARG 42 1HG ARG 42 5.842 -1.430 7.653 123 HG3 ARG 42 2HG ARG 42 6.739 -2.363 6.453 124 HD2 ARG 42 1HD ARG 42 8.143 -2.803 8.144 125 HD3 ARG 42 2HD ARG 42 8.755 -1.177 7.849 126 HE ARG 42 HE ARG 42 6.720 -0.760 9.576 127 HH11 ARG 42 1HH1 ARG 42 9.468 -2.872 9.631 128 HH12 ARG 42 2HH1 ARG 42 9.593 -2.862 11.356 129 HH21 ARG 42 1HH2 ARG 42 6.890 -0.750 11.825 130 HH22 ARG 42 2HH2 ARG 42 8.140 -1.666 12.591 131 H VAL 43 H VAL 43 3.519 -0.264 4.989 132 HA VAL 43 HA VAL 43 2.990 2.538 5.679 133 HB VAL 43 HB VAL 43 1.109 0.453 4.543 134 HG11 VAL 43 1HG1 VAL 43 -0.561 1.908 4.771 135 HG12 VAL 43 2HG1 VAL 43 0.408 3.218 4.091 136 HG13 VAL 43 3HG1 VAL 43 0.504 2.851 5.816 137 HG21 VAL 43 3HG2 VAL 43 1.386 1.560 2.423 138 HG22 VAL 43 1HG2 VAL 43 2.970 1.076 3.032 139 HG23 VAL 43 2HG2 VAL 43 2.456 2.759 3.149 140 H GLU 44 H GLU 44 2.966 2.741 7.832 141 HA GLU 44 HA GLU 44 1.967 0.750 9.614 142 HB2 GLU 44 1HB GLU 44 3.684 2.724 9.987 143 HB3 GLU 44 2HB GLU 44 2.237 3.603 10.453 144 HG2 GLU 44 1HG GLU 44 2.526 2.777 12.483 145 HG3 GLU 44 2HG GLU 44 2.026 1.217 11.832 146 H VAL 45 H VAL 45 -0.066 0.293 9.999 147 HA VAL 45 HA VAL 45 -2.146 2.253 9.353 148 HB VAL 45 HB VAL 45 -2.157 -0.747 9.618 149 HG11 VAL 45 1HG1 VAL 45 -4.592 -0.648 9.086 150 HG12 VAL 45 2HG1 VAL 45 -4.545 1.075 9.465 151 HG13 VAL 45 3HG1 VAL 45 -4.173 -0.113 10.715 152 HG21 VAL 45 3HG2 VAL 45 -2.610 -0.793 7.352 153 HG22 VAL 45 1HG2 VAL 45 -1.511 0.581 7.490 154 HG23 VAL 45 2HG2 VAL 45 -3.248 0.851 7.343 155 H MET 46 H MET 46 -2.340 3.527 11.115 156 HA MET 46 HA MET 46 -3.407 2.272 13.534 157 HB2 MET 46 1HB MET 46 -2.070 4.006 14.879 158 HB3 MET 46 2HB MET 46 -1.198 2.610 14.262 159 HG2 MET 46 1HG MET 46 -0.223 3.884 12.518 160 HG3 MET 46 2HG MET 46 -1.289 5.248 12.839 161 HE1 MET 46 3HE MET 46 2.482 3.833 14.483 162 HE2 MET 46 1HE MET 46 1.047 2.824 14.313 163 HE3 MET 46 2HE MET 46 1.451 3.524 15.880 164 H GLY 47 H GLY 47 -5.427 3.013 12.708 165 HA2 GLY 47 1HA GLY 47 -7.181 4.544 13.030 166 HA3 GLY 47 2HA GLY 47 -5.994 5.787 13.411 167 H GLY 48 H GLY 48 -4.612 4.617 10.883 168 HA2 GLY 48 1HA GLY 48 -6.091 5.112 8.594 169 HA3 GLY 48 2HA GLY 48 -5.394 6.652 9.082 170 H TYR 49 H TYR 49 -4.378 6.234 6.855 171 HA TYR 49 HA TYR 49 -2.143 4.375 6.911 172 HB2 TYR 49 1HB TYR 49 -2.939 6.332 4.742 173 HB3 TYR 49 2HB TYR 49 -1.801 4.998 4.581 174 HD1 TYR 49 HD2 TYR 49 -2.962 2.654 5.462 175 HD2 TYR 49 HD1 TYR 49 -4.966 5.982 3.729 176 HE1 TYR 49 HE2 TYR 49 -4.804 1.178 4.770 177 HE2 TYR 49 HE1 TYR 49 -6.811 4.517 3.033 178 HH TYR 49 HH TYR 49 -7.151 1.315 4.177 179 H THR 50 H THR 50 -0.159 4.933 7.595 180 HA THR 50 HA THR 50 0.421 7.520 8.537 181 HB THR 50 HB THR 50 2.263 5.191 7.995 182 HG1 THR 50 HG1 THR 50 0.883 4.849 9.725 183 HG21 THR 50 3HG2 THR 50 2.987 7.645 9.583 184 HG22 THR 50 1HG2 THR 50 3.393 7.479 7.873 185 HG23 THR 50 2HG2 THR 50 4.041 6.334 9.051 186 HA PRO 51 HA PRO 51 3.024 8.457 4.668 187 HB2 PRO 51 1HB PRO 51 3.296 6.673 2.668 188 HB3 PRO 51 2HB PRO 51 4.354 6.653 4.084 189 HG2 PRO 51 1HG PRO 51 1.963 4.954 3.485 190 HG3 PRO 51 2HG PRO 51 3.534 4.477 4.153 191 HD2 PRO 51 1HD PRO 51 1.326 4.867 5.693 192 HD3 PRO 51 2HD PRO 51 2.982 5.149 6.268 193 H GLU 52 H GLU 52 1.261 9.820 4.286 194 HA GLU 52 HA GLU 52 -1.175 9.224 3.159 195 HB2 GLU 52 1HB GLU 52 -1.153 11.627 2.313 196 HB3 GLU 52 2HB GLU 52 -0.941 11.382 4.040 197 HG2 GLU 52 1HG GLU 52 1.622 11.395 2.802 198 HG3 GLU 52 2HG GLU 52 0.713 12.797 2.242 199 H LEU 53 H LEU 53 1.818 10.004 1.416 200 HA LEU 53 HA LEU 53 0.557 8.918 -1.004 201 HB2 LEU 53 1HB LEU 53 2.572 10.846 -1.690 202 HB3 LEU 53 2HB LEU 53 0.898 10.764 -2.191 203 HG LEU 53 HG LEU 53 1.486 11.876 0.505 204 HD11 LEU 53 1HD1 LEU 53 2.974 13.305 -0.401 205 HD12 LEU 53 2HD1 LEU 53 1.525 14.120 -0.989 206 HD13 LEU 53 3HD1 LEU 53 2.409 13.020 -2.047 207 HD21 LEU 53 3HD2 LEU 53 -0.391 13.034 -1.498 208 HD22 LEU 53 1HD2 LEU 53 -0.536 12.927 0.256 209 HD23 LEU 53 2HD2 LEU 53 -0.811 11.498 -0.739 210 H ILE 54 H ILE 54 1.604 7.164 -1.668 211 HA ILE 54 HA ILE 54 4.421 6.824 -0.907 212 HB ILE 54 HB ILE 54 4.033 4.443 -1.793 213 HG12 ILE 54 1HG1 ILE 54 1.144 5.244 -1.387 214 HG13 ILE 54 2HG1 ILE 54 1.897 4.980 -2.958 215 HG21 ILE 54 1HG2 ILE 54 4.121 4.103 0.388 216 HG22 ILE 54 2HG2 ILE 54 2.372 4.313 0.464 217 HG23 ILE 54 3HG2 ILE 54 3.438 5.697 0.710 218 HD11 ILE 54 3HD1 ILE 54 0.985 2.936 -2.673 219 HD12 ILE 54 1HD1 ILE 54 1.027 3.038 -0.913 220 HD13 ILE 54 2HD1 ILE 54 2.497 2.651 -1.808 221 H VAL 55 H VAL 55 6.012 7.024 -2.336 222 HA VAL 55 HA VAL 55 5.305 7.360 -5.160 223 HB VAL 55 HB VAL 55 7.880 7.995 -3.712 224 HG11 VAL 55 1HG1 VAL 55 7.442 7.608 -6.466 225 HG12 VAL 55 2HG1 VAL 55 8.877 8.261 -5.675 226 HG13 VAL 55 3HG1 VAL 55 7.596 9.348 -6.215 227 HG21 VAL 55 3HG2 VAL 55 7.228 10.324 -3.984 228 HG22 VAL 55 1HG2 VAL 55 6.003 9.437 -3.077 229 HG23 VAL 55 2HG2 VAL 55 5.733 9.825 -4.776 230 H LEU 56 H LEU 56 5.726 5.884 -6.645 231 HA LEU 56 HA LEU 56 7.806 3.861 -6.141 232 HB2 LEU 56 1HB LEU 56 5.019 3.319 -7.169 233 HB3 LEU 56 2HB LEU 56 6.314 2.139 -7.127 234 HG LEU 56 HG LEU 56 5.551 3.462 -4.569 235 HD11 LEU 56 1HD1 LEU 56 3.428 2.794 -5.746 236 HD12 LEU 56 2HD1 LEU 56 3.710 2.025 -4.182 237 HD13 LEU 56 3HD1 LEU 56 4.006 1.129 -5.671 238 HD21 LEU 56 3HD2 LEU 56 6.000 0.557 -4.848 239 HD22 LEU 56 1HD2 LEU 56 6.569 1.684 -3.617 240 HD23 LEU 56 2HD2 LEU 56 7.380 1.603 -5.180 241 H LYS 57 H LYS 57 8.319 2.600 -8.191 242 HA LYS 57 HA LYS 57 8.548 4.502 -10.401 243 HB2 LYS 57 1HB LYS 57 10.272 2.550 -9.284 244 HB3 LYS 57 2HB LYS 57 9.892 2.021 -10.917 245 HG2 LYS 57 1HG LYS 57 10.544 4.320 -11.699 246 HG3 LYS 57 2HG LYS 57 11.149 4.614 -10.068 247 HD2 LYS 57 1HD LYS 57 12.460 2.401 -10.437 248 HD3 LYS 57 2HD LYS 57 12.153 2.709 -12.146 249 HE2 LYS 57 1HE LYS 57 13.178 4.942 -11.888 250 HE3 LYS 57 2HE LYS 57 13.553 4.549 -10.211 251 HZ1 LYS 57 3HZ LYS 57 15.451 3.720 -10.974 252 HZ2 LYS 57 1HZ LYS 57 14.949 3.829 -12.587 253 HZ3 LYS 57 2HZ LYS 57 14.563 2.460 -11.672 254 H LYS 58 H LYS 58 8.416 3.493 -12.669 255 HA LYS 58 HA LYS 58 5.921 1.958 -12.778 256 HB2 LYS 58 1HB LYS 58 6.154 4.174 -13.975 257 HB3 LYS 58 2HB LYS 58 7.278 3.374 -15.071 258 HG2 LYS 58 1HG LYS 58 5.498 1.762 -15.658 259 HG3 LYS 58 2HG LYS 58 4.382 2.669 -14.637 260 HD2 LYS 58 1HD LYS 58 3.901 3.847 -16.472 261 HD3 LYS 58 2HD LYS 58 5.475 4.614 -16.255 262 HE2 LYS 58 1HE LYS 58 6.011 3.838 -18.272 263 HE3 LYS 58 2HE LYS 58 6.045 2.228 -17.556 264 HZ1 LYS 58 3HZ LYS 58 3.583 2.135 -18.057 265 HZ2 LYS 58 1HZ LYS 58 4.620 2.098 -19.401 266 HZ3 LYS 58 2HZ LYS 58 3.812 3.528 -19.003 267 H SER 59 H SER 59 5.643 0.155 -14.056 268 HA SER 59 HA SER 59 6.128 -1.824 -15.049 269 HB2 SER 59 1HB SER 59 7.149 -0.459 -16.824 270 HB3 SER 59 2HB SER 59 8.681 -0.464 -15.950 271 HG SER 59 HG SER 59 8.498 -2.845 -16.106 272 H VAL 60 H VAL 60 7.187 -1.052 -12.308 273 HA VAL 60 HA VAL 60 9.093 -3.285 -12.059 274 HB VAL 60 HB VAL 60 10.077 -0.964 -11.699 275 HG11 VAL 60 1HG1 VAL 60 9.710 -0.011 -9.419 276 HG12 VAL 60 2HG1 VAL 60 8.336 -1.106 -9.250 277 HG13 VAL 60 3HG1 VAL 60 8.331 0.131 -10.509 278 HG21 VAL 60 3HG2 VAL 60 11.365 -1.645 -9.700 279 HG22 VAL 60 1HG2 VAL 60 11.243 -2.915 -10.919 280 HG23 VAL 60 2HG2 VAL 60 10.239 -2.983 -9.470 281 HA PRO 61 HA PRO 61 6.023 -5.019 -9.330 282 HB2 PRO 61 1HB PRO 61 7.674 -6.750 -7.975 283 HB3 PRO 61 2HB PRO 61 6.980 -7.082 -9.565 284 HG2 PRO 61 1HG PRO 61 9.713 -6.103 -8.854 285 HG3 PRO 61 2HG PRO 61 9.228 -7.276 -10.092 286 HD2 PRO 61 1HD PRO 61 9.865 -4.726 -10.700 287 HD3 PRO 61 2HD PRO 61 8.627 -5.629 -11.596 288 H ALA 62 H ALA 62 5.252 -3.999 -7.583 289 HA ALA 62 HA ALA 62 7.169 -3.200 -5.487 290 HB1 ALA 62 3HB ALA 62 6.647 -1.115 -6.142 291 HB2 ALA 62 1HB ALA 62 5.202 -1.384 -5.167 292 HB3 ALA 62 2HB ALA 62 5.142 -1.619 -6.914 293 H ARG 63 H ARG 63 6.624 -3.595 -3.388 294 HA ARG 63 HA ARG 63 3.996 -4.838 -2.948 295 HB2 ARG 63 1HB ARG 63 4.931 -6.431 -1.460 296 HB3 ARG 63 2HB ARG 63 5.928 -6.445 -2.903 297 HG2 ARG 63 1HG ARG 63 7.415 -4.789 -1.554 298 HG3 ARG 63 2HG ARG 63 6.559 -5.462 -0.168 299 HD2 ARG 63 1HD ARG 63 7.177 -7.752 -1.246 300 HD3 ARG 63 2HD ARG 63 8.409 -6.812 -2.086 301 HE ARG 63 HE ARG 63 9.192 -6.139 0.175 302 HH11 ARG 63 1HH1 ARG 63 7.407 -9.090 -0.230 303 HH12 ARG 63 2HH1 ARG 63 8.055 -9.813 1.199 304 HH21 ARG 63 1HH2 ARG 63 10.015 -7.085 2.041 305 HH22 ARG 63 2HH2 ARG 63 9.524 -8.687 2.475 306 H ILE 64 H ILE 64 2.750 -3.955 -1.501 307 HA ILE 64 HA ILE 64 3.846 -1.844 0.222 308 HB ILE 64 HB ILE 64 0.913 -2.393 -0.073 309 HG12 ILE 64 1HG1 ILE 64 2.007 -2.271 -2.365 310 HG13 ILE 64 2HG1 ILE 64 0.742 -1.088 -2.056 311 HG21 ILE 64 1HG2 ILE 64 0.633 -0.154 0.550 312 HG22 ILE 64 2HG2 ILE 64 2.310 0.251 0.178 313 HG23 ILE 64 3HG2 ILE 64 1.933 -0.749 1.583 314 HD11 ILE 64 3HD1 ILE 64 3.283 -0.001 -1.302 315 HD12 ILE 64 1HD1 ILE 64 2.133 0.570 -2.513 316 HD13 ILE 64 2HD1 ILE 64 3.354 -0.625 -2.951 317 H VAL 65 H VAL 65 4.329 -2.378 2.253 318 HA VAL 65 HA VAL 65 3.101 -4.731 3.473 319 HB VAL 65 HB VAL 65 5.196 -2.991 4.759 320 HG11 VAL 65 1HG1 VAL 65 4.397 -5.883 5.050 321 HG12 VAL 65 2HG1 VAL 65 4.223 -4.594 6.240 322 HG13 VAL 65 3HG1 VAL 65 5.828 -5.175 5.799 323 HG21 VAL 65 3HG2 VAL 65 6.151 -5.385 3.360 324 HG22 VAL 65 1HG2 VAL 65 6.867 -3.779 3.481 325 HG23 VAL 65 2HG2 VAL 65 5.595 -4.091 2.299 326 H PHE 66 H PHE 66 1.200 -4.411 4.457 327 HA PHE 66 HA PHE 66 0.698 -1.863 5.816 328 HB2 PHE 66 1HB PHE 66 -1.110 -4.129 4.975 329 HB3 PHE 66 2HB PHE 66 -1.668 -2.804 5.997 330 HD1 PHE 66 HD2 PHE 66 -1.283 -0.415 5.070 331 HD2 PHE 66 HD1 PHE 66 -1.223 -3.933 2.679 332 HE1 PHE 66 HE2 PHE 66 -1.706 0.946 3.065 333 HE2 PHE 66 HE1 PHE 66 -1.644 -2.579 0.669 334 HZ PHE 66 HZ PHE 66 -1.885 -0.136 0.862 335 H ASP 67 H ASP 67 1.264 -1.741 7.862 336 HA ASP 67 HA ASP 67 1.223 -4.135 9.555 337 HB2 ASP 67 1HB ASP 67 3.287 -2.825 9.565 338 HB3 ASP 67 2HB ASP 67 2.394 -1.377 10.012 339 H ARG 68 H ARG 68 -0.824 -4.468 10.292 340 HA ARG 68 HA ARG 68 -2.566 -2.288 10.968 341 HB2 ARG 68 1HB ARG 68 -2.878 -5.027 10.397 342 HB3 ARG 68 2HB ARG 68 -3.483 -4.793 12.030 343 HG2 ARG 68 1HG ARG 68 -4.477 -2.669 10.447 344 HG3 ARG 68 2HG ARG 68 -4.736 -4.169 9.556 345 HD2 ARG 68 1HD ARG 68 -5.399 -4.202 12.439 346 HD3 ARG 68 2HD ARG 68 -6.444 -3.238 11.397 347 HE ARG 68 HE ARG 68 -5.985 -5.846 10.341 348 HH11 ARG 68 1HH1 ARG 68 -7.875 -4.071 12.644 349 HH12 ARG 68 2HH1 ARG 68 -9.183 -5.205 12.622 350 HH21 ARG 68 1HH2 ARG 68 -7.677 -7.314 10.314 351 HH22 ARG 68 2HH2 ARG 68 -9.062 -7.044 11.327 352 H LYS 69 H LYS 69 -1.845 -1.100 12.626 353 HA LYS 69 HA LYS 69 -1.088 -2.395 15.141 354 HB2 LYS 69 1HB LYS 69 0.319 -0.576 14.164 355 HB3 LYS 69 2HB LYS 69 -1.025 0.534 14.380 356 HG2 LYS 69 1HG LYS 69 -0.302 -0.896 16.816 357 HG3 LYS 69 2HG LYS 69 1.002 0.098 16.164 358 HD2 LYS 69 1HD LYS 69 -0.109 2.046 16.553 359 HD3 LYS 69 2HD LYS 69 -1.694 1.321 16.280 360 HE2 LYS 69 1HE LYS 69 -0.085 0.562 18.685 361 HE3 LYS 69 2HE LYS 69 -1.010 2.064 18.677 362 HZ1 LYS 69 3HZ LYS 69 -2.411 -0.362 17.822 363 HZ2 LYS 69 1HZ LYS 69 -2.971 0.962 18.728 364 HZ3 LYS 69 2HZ LYS 69 -2.032 -0.231 19.472 365 H ASP 70 H ASP 70 -3.616 -0.469 13.707 366 HA ASP 70 HA ASP 70 -5.028 -0.387 16.292 367 HB2 ASP 70 1HB ASP 70 -4.461 1.785 15.025 368 HB3 ASP 70 2HB ASP 70 -5.719 1.298 13.893 369 HA PRO 71 HA PRO 71 -7.858 -3.297 14.425 370 HB2 PRO 71 1HB PRO 71 -9.542 -3.573 16.477 371 HB3 PRO 71 2HB PRO 71 -7.874 -4.158 16.582 372 HG2 PRO 71 1HG PRO 71 -9.061 -1.618 17.650 373 HG3 PRO 71 2HG PRO 71 -7.961 -2.758 18.451 374 HD2 PRO 71 1HD PRO 71 -7.141 -0.433 17.253 375 HD3 PRO 71 2HD PRO 71 -6.106 -1.863 17.437 376 H SER 72 H SER 72 -8.211 -0.513 13.689 377 HA SER 72 HA SER 72 -10.897 0.314 14.127 378 HB2 SER 72 1HB SER 72 -8.667 1.173 12.339 379 HB3 SER 72 2HB SER 72 -10.299 1.706 11.937 380 HG SER 72 HG SER 72 -8.925 2.115 14.399 381 HA PRO 73 HA PRO 73 -13.094 -2.324 11.318 382 HB2 PRO 73 1HB PRO 73 -15.211 -0.679 10.767 383 HB3 PRO 73 2HB PRO 73 -15.054 -1.613 12.260 384 HG2 PRO 73 1HG PRO 73 -14.390 1.264 11.744 385 HG3 PRO 73 2HG PRO 73 -15.242 0.546 13.127 386 HD2 PRO 73 1HD PRO 73 -12.659 1.234 13.296 387 HD3 PRO 73 2HD PRO 73 -13.271 -0.233 14.093 388 H CYS 74 H CYS 74 -12.488 1.039 10.402 389 HA CYS 74 HA CYS 74 -12.971 0.583 7.605 390 HB2 CYS 74 1HB CYS 74 -12.005 2.896 7.361 391 HB3 CYS 74 2HB CYS 74 -13.398 2.784 8.431 392 HG CYS 74 HG CYS 74 -10.564 4.158 9.054 393 H LEU 75 H LEU 75 -10.499 -0.357 9.567 394 HA LEU 75 HA LEU 75 -8.540 -0.255 7.367 395 HB2 LEU 75 1HB LEU 75 -8.126 -0.057 10.339 396 HB3 LEU 75 2HB LEU 75 -6.820 -0.453 9.239 397 HG LEU 75 HG LEU 75 -8.441 2.056 8.898 398 HD11 LEU 75 1HD1 LEU 75 -6.171 2.932 10.055 399 HD12 LEU 75 2HD1 LEU 75 -6.416 1.424 10.937 400 HD13 LEU 75 3HD1 LEU 75 -7.679 2.656 10.927 401 HD21 LEU 75 3HD2 LEU 75 -7.161 2.158 7.076 402 HD22 LEU 75 1HD2 LEU 75 -6.142 0.826 7.622 403 HD23 LEU 75 2HD2 LEU 75 -5.809 2.470 8.165 404 H ASP 76 H ASP 76 -10.634 -2.273 8.622 405 HA ASP 76 HA ASP 76 -9.116 -4.541 9.406 406 HB2 ASP 76 1HB ASP 76 -11.758 -3.864 9.502 407 HB3 ASP 76 2HB ASP 76 -11.755 -5.042 8.193 408 H GLN 77 H GLN 77 -10.391 -3.423 6.325 409 HA GLN 77 HA GLN 77 -8.821 -5.515 4.976 410 HB2 GLN 77 1HB GLN 77 -11.630 -4.603 4.377 411 HB3 GLN 77 2HB GLN 77 -10.637 -5.400 3.165 412 HG2 GLN 77 1HG GLN 77 -10.532 -7.396 4.440 413 HG3 GLN 77 2HG GLN 77 -11.233 -6.609 5.851 414 HE21 GLN 77 2HE2 GLN 77 -11.897 -8.742 3.534 415 HE22 GLN 77 1HE2 GLN 77 -13.604 -8.501 3.366 416 H ILE 78 H ILE 78 -8.175 -4.933 2.759 417 HA ILE 78 HA ILE 78 -8.174 -2.036 2.276 418 HB ILE 78 HB ILE 78 -6.017 -2.527 3.287 419 HG12 ILE 78 1HG1 ILE 78 -4.808 -2.164 0.758 420 HG13 ILE 78 2HG1 ILE 78 -6.405 -1.431 0.658 421 HG21 ILE 78 1HG2 ILE 78 -5.686 -4.827 2.859 422 HG22 ILE 78 2HG2 ILE 78 -4.389 -3.976 2.021 423 HG23 ILE 78 3HG2 ILE 78 -5.771 -4.590 1.115 424 HD11 ILE 78 3HD1 ILE 78 -4.643 -0.837 2.987 425 HD12 ILE 78 1HD1 ILE 78 -5.935 0.132 2.278 426 HD13 ILE 78 2HD1 ILE 78 -4.388 -0.022 1.444 427 H VAL 79 H VAL 79 -8.706 -1.491 0.271 428 HA VAL 79 HA VAL 79 -8.348 -3.477 -1.859 429 HB VAL 79 HB VAL 79 -10.620 -3.770 -1.517 430 HG11 VAL 79 1HG1 VAL 79 -12.223 -1.974 -1.053 431 HG12 VAL 79 2HG1 VAL 79 -10.899 -0.808 -1.062 432 HG13 VAL 79 3HG1 VAL 79 -10.952 -2.075 0.166 433 HG21 VAL 79 3HG2 VAL 79 -11.818 -2.592 -3.342 434 HG22 VAL 79 1HG2 VAL 79 -10.274 -3.278 -3.847 435 HG23 VAL 79 2HG2 VAL 79 -10.411 -1.546 -3.545 436 H PHE 80 H PHE 80 -7.418 -2.734 -3.603 437 HA PHE 80 HA PHE 80 -6.887 0.127 -3.851 438 HB2 PHE 80 1HB PHE 80 -5.718 -2.376 -5.003 439 HB3 PHE 80 2HB PHE 80 -5.501 -0.870 -5.878 440 HD1 PHE 80 HD1 PHE 80 -4.938 -2.477 -2.585 441 HD2 PHE 80 HD2 PHE 80 -3.821 0.625 -5.277 442 HE1 PHE 80 HE1 PHE 80 -3.014 -1.932 -1.150 443 HE2 PHE 80 HE2 PHE 80 -1.892 1.177 -3.844 444 HZ PHE 80 HZ PHE 80 -1.489 -0.104 -1.780 445 HA PRO 81 HA PRO 81 -10.469 0.011 -6.673 446 HB2 PRO 81 1HB PRO 81 -10.706 2.716 -6.890 447 HB3 PRO 81 2HB PRO 81 -11.375 1.779 -5.550 448 HG2 PRO 81 1HG PRO 81 -8.845 3.367 -5.680 449 HG3 PRO 81 2HG PRO 81 -10.030 3.255 -4.367 450 HD2 PRO 81 1HD PRO 81 -7.689 1.902 -4.340 451 HD3 PRO 81 2HD PRO 81 -9.167 1.263 -3.593 452 H ASP 82 H ASP 82 -7.332 1.380 -7.139 453 HA ASP 82 HA ASP 82 -7.890 1.883 -9.970 454 HB2 ASP 82 1HB ASP 82 -5.519 2.624 -8.247 455 HB3 ASP 82 2HB ASP 82 -5.639 2.962 -9.973 456 H PHE 83 H PHE 83 -6.751 -0.615 -8.055 457 HA PHE 83 HA PHE 83 -5.204 -1.722 -10.310 458 HB2 PHE 83 1HB PHE 83 -4.732 -1.924 -7.353 459 HB3 PHE 83 2HB PHE 83 -4.098 -3.148 -8.444 460 HD1 PHE 83 HD1 PHE 83 -3.874 0.337 -7.371 461 HD2 PHE 83 HD2 PHE 83 -2.316 -2.634 -9.991 462 HE1 PHE 83 HE1 PHE 83 -1.937 1.772 -7.840 463 HE2 PHE 83 HE2 PHE 83 -0.374 -1.199 -10.466 464 HZ PHE 83 HZ PHE 83 -0.186 1.008 -9.388 465 H GLY 84 H GLY 84 -7.794 -2.218 -8.064 466 HA2 GLY 84 1HA GLY 84 -9.514 -3.781 -8.221 467 HA3 GLY 84 2HA GLY 84 -8.622 -4.598 -9.498 468 H VAL 85 H VAL 85 -7.078 -3.836 -6.501 469 HA VAL 85 HA VAL 85 -6.935 -6.705 -5.868 470 HB VAL 85 HB VAL 85 -5.080 -4.414 -5.227 471 HG11 VAL 85 1HG1 VAL 85 -4.630 -5.497 -3.318 472 HG12 VAL 85 2HG1 VAL 85 -3.751 -6.616 -4.360 473 HG13 VAL 85 3HG1 VAL 85 -5.401 -6.988 -3.860 474 HG21 VAL 85 3HG2 VAL 85 -4.781 -6.932 -6.852 475 HG22 VAL 85 1HG2 VAL 85 -3.447 -5.855 -6.441 476 HG23 VAL 85 2HG2 VAL 85 -4.778 -5.269 -7.438 477 H HIS 86 H HIS 86 -8.167 -7.374 -4.236 478 HA HIS 86 HA HIS 86 -8.658 -5.532 -1.979 479 HB2 HIS 86 1HB HIS 86 -10.796 -7.020 -1.686 480 HB3 HIS 86 2HB HIS 86 -10.795 -5.711 -2.858 481 HD1 HIS 86 HD1 HIS 86 -9.721 -9.372 -3.066 482 HD2 HIS 86 HD2 HIS 86 -12.067 -6.582 -5.067 483 HE1 HIS 86 HE1 HIS 86 -10.667 -10.588 -5.058 484 H ALA 87 H ALA 87 -7.691 -6.190 -0.171 485 HA ALA 87 HA ALA 87 -7.531 -9.081 0.375 486 HB1 ALA 87 3HB ALA 87 -5.335 -7.344 -0.191 487 HB2 ALA 87 1HB ALA 87 -5.326 -9.074 0.146 488 HB3 ALA 87 2HB ALA 87 -5.215 -7.917 1.473 489 H ASN 88 H ASN 88 -6.965 -9.546 2.679 490 HA ASN 88 HA ASN 88 -8.313 -7.615 4.446 491 HB2 ASN 88 1HB ASN 88 -7.827 -10.466 5.233 492 HB3 ASN 88 2HB ASN 88 -9.116 -9.379 5.734 493 HD21 ASN 88 2HD2 ASN 88 -8.349 -11.975 3.831 494 HD22 ASN 88 1HD2 ASN 88 -9.709 -11.944 2.769 495 H LEU 89 H LEU 89 -7.331 -6.917 6.328 496 HA LEU 89 HA LEU 89 -4.473 -7.560 6.539 497 HB2 LEU 89 1HB LEU 89 -5.970 -5.262 7.793 498 HB3 LEU 89 2HB LEU 89 -4.232 -5.498 7.784 499 HG LEU 89 HG LEU 89 -5.908 -5.011 5.321 500 HD11 LEU 89 1HD1 LEU 89 -5.951 -2.985 6.481 501 HD12 LEU 89 2HD1 LEU 89 -4.595 -2.817 5.366 502 HD13 LEU 89 3HD1 LEU 89 -4.299 -3.181 7.066 503 HD21 LEU 89 3HD2 LEU 89 -2.971 -5.394 5.790 504 HD22 LEU 89 1HD2 LEU 89 -3.578 -4.513 4.388 505 HD23 LEU 89 2HD2 LEU 89 -4.022 -6.203 4.628 506 HA PRO 90 HA PRO 90 -5.437 -9.703 10.331 507 HB2 PRO 90 1HB PRO 90 -2.952 -10.587 10.864 508 HB3 PRO 90 2HB PRO 90 -3.930 -11.267 9.562 509 HG2 PRO 90 1HG PRO 90 -1.648 -9.361 9.419 510 HG3 PRO 90 2HG PRO 90 -2.114 -10.644 8.293 511 HD2 PRO 90 1HD PRO 90 -2.644 -7.921 7.986 512 HD3 PRO 90 2HD PRO 90 -3.437 -9.240 7.103 513 H MET 91 H MET 91 -5.737 -8.810 12.274 514 HA MET 91 HA MET 91 -4.489 -6.422 13.094 515 HB2 MET 91 1HB MET 91 -6.728 -7.026 13.828 516 HB3 MET 91 2HB MET 91 -6.095 -8.420 14.691 517 HG2 MET 91 1HG MET 91 -6.633 -6.511 16.154 518 HG3 MET 91 2HG MET 91 -4.950 -7.015 16.247 519 HE1 MET 91 3HE MET 91 -3.904 -3.449 16.665 520 HE2 MET 91 1HE MET 91 -3.497 -5.148 16.908 521 HE3 MET 91 2HE MET 91 -4.989 -4.491 17.584 522 H GLY 92 H GLY 92 -2.615 -6.056 14.051 523 HA2 GLY 92 1HA GLY 92 -0.862 -6.356 15.560 524 HA3 GLY 92 2HA GLY 92 -1.481 -7.955 15.928 525 H GLU 93 H GLU 93 -1.299 -7.620 12.612 526 HA GLU 93 HA GLU 93 1.462 -8.625 12.498 527 HB2 GLU 93 1HB GLU 93 -0.927 -9.876 11.134 528 HB3 GLU 93 2HB GLU 93 0.743 -10.341 10.855 529 HG2 GLU 93 1HG GLU 93 0.945 -11.038 13.180 530 HG3 GLU 93 2HG GLU 93 -0.722 -10.544 13.477 531 H GLU 94 H GLU 94 2.065 -8.890 10.022 532 HA GLU 94 HA GLU 94 1.269 -6.376 8.709 533 HB2 GLU 94 1HB GLU 94 3.872 -7.898 8.544 534 HB3 GLU 94 2HB GLU 94 3.485 -6.490 7.569 535 HG2 GLU 94 1HG GLU 94 4.173 -5.141 9.176 536 HG3 GLU 94 2HG GLU 94 3.040 -5.867 10.316 537 H TYR 95 H TYR 95 0.434 -6.423 6.721 538 HA TYR 95 HA TYR 95 0.503 -8.976 5.237 539 HB2 TYR 95 1HB TYR 95 -1.755 -8.088 6.211 540 HB3 TYR 95 2HB TYR 95 -1.695 -6.963 4.862 541 HD1 TYR 95 HD1 TYR 95 -1.833 -10.545 5.767 542 HD2 TYR 95 HD2 TYR 95 -2.216 -7.672 2.653 543 HE1 TYR 95 HE1 TYR 95 -2.793 -12.269 4.301 544 HE2 TYR 95 HE2 TYR 95 -3.175 -9.389 1.179 545 HH TYR 95 HH TYR 95 -3.026 -11.998 1.050 546 H VAL 96 H VAL 96 1.459 -8.889 3.292 547 HA VAL 96 HA VAL 96 2.074 -6.232 2.227 548 HB VAL 96 HB VAL 96 3.887 -8.000 2.756 549 HG11 VAL 96 1HG1 VAL 96 3.863 -8.948 0.020 550 HG12 VAL 96 2HG1 VAL 96 2.459 -9.510 0.930 551 HG13 VAL 96 3HG1 VAL 96 4.086 -9.841 1.525 552 HG21 VAL 96 3HG2 VAL 96 4.618 -6.024 1.804 553 HG22 VAL 96 1HG2 VAL 96 3.708 -6.283 0.317 554 HG23 VAL 96 2HG2 VAL 96 5.157 -7.234 0.641 555 H VAL 97 H VAL 97 1.455 -5.530 0.294 556 HA VAL 97 HA VAL 97 -0.188 -7.330 -1.374 557 HB VAL 97 HB VAL 97 -0.352 -4.330 -1.014 558 HG11 VAL 97 1HG1 VAL 97 -1.376 -4.102 -2.978 559 HG12 VAL 97 2HG1 VAL 97 -2.474 -5.433 -2.615 560 HG13 VAL 97 3HG1 VAL 97 -0.910 -5.760 -3.359 561 HG21 VAL 97 3HG2 VAL 97 -1.503 -5.338 0.746 562 HG22 VAL 97 1HG2 VAL 97 -2.115 -6.638 -0.275 563 HG23 VAL 97 2HG2 VAL 97 -2.762 -5.006 -0.445 564 H GLU 98 H GLU 98 0.900 -8.003 -3.101 565 HA GLU 98 HA GLU 98 3.037 -6.352 -4.212 566 HB2 GLU 98 1HB GLU 98 2.324 -9.228 -4.302 567 HB3 GLU 98 2HB GLU 98 3.123 -8.574 -5.726 568 HG2 GLU 98 1HG GLU 98 5.084 -8.194 -4.626 569 HG3 GLU 98 2HG GLU 98 4.291 -7.963 -3.068 570 H ILE 99 H ILE 99 2.663 -5.025 -5.845 571 HA ILE 99 HA ILE 99 0.719 -5.801 -7.916 572 HB ILE 99 HB ILE 99 0.336 -3.147 -7.976 573 HG12 ILE 99 1HG1 ILE 99 0.572 -3.750 -5.020 574 HG13 ILE 99 2HG1 ILE 99 1.781 -2.856 -5.934 575 HG21 ILE 99 1HG2 ILE 99 -1.451 -4.725 -7.979 576 HG22 ILE 99 2HG2 ILE 99 -1.760 -3.567 -6.685 577 HG23 ILE 99 3HG2 ILE 99 -1.135 -5.171 -6.303 578 HD11 ILE 99 3HD1 ILE 99 -0.627 -1.920 -4.728 579 HD12 ILE 99 1HD1 ILE 99 -0.687 -1.626 -6.466 580 HD13 ILE 99 2HD1 ILE 99 0.659 -1.003 -5.513 581 H THR 100 H THR 100 1.035 -4.734 -9.971 582 HA THR 100 HA THR 100 3.794 -3.756 -10.326 583 HB THR 100 HB THR 100 2.268 -5.199 -12.482 584 HG1 THR 100 HG1 THR 100 3.239 -7.108 -11.792 585 HG21 THR 100 3HG2 THR 100 4.319 -3.817 -12.998 586 HG22 THR 100 1HG2 THR 100 4.409 -5.511 -13.483 587 HG23 THR 100 2HG2 THR 100 5.241 -4.966 -12.026 588 HA PRO 101 HA PRO 101 1.246 -0.263 -11.802 589 HB2 PRO 101 1HB PRO 101 3.133 1.622 -11.377 590 HB3 PRO 101 2HB PRO 101 2.129 0.981 -10.071 591 HG2 PRO 101 1HG PRO 101 4.925 0.231 -10.849 592 HG3 PRO 101 2HG PRO 101 4.268 0.546 -9.235 593 HD2 PRO 101 1HD PRO 101 4.620 -1.955 -10.187 594 HD3 PRO 101 2HD PRO 101 3.291 -1.540 -9.086 595 H GLU 102 H GLU 102 1.190 -0.767 -13.999 596 HA GLU 102 HA GLU 102 3.625 -0.378 -15.571 597 HB2 GLU 102 1HB GLU 102 0.926 -1.498 -16.325 598 HB3 GLU 102 2HB GLU 102 2.274 -1.333 -17.440 599 HG2 GLU 102 1HG GLU 102 3.228 -3.203 -16.710 600 HG3 GLU 102 2HG GLU 102 3.031 -2.736 -15.023 601 H GLN 103 H GLN 103 1.563 1.708 -14.406 602 HA GLN 103 HA GLN 103 1.664 3.413 -16.786 603 HB2 GLN 103 1HB GLN 103 -0.727 2.325 -15.666 604 HB3 GLN 103 2HB GLN 103 -0.719 4.057 -15.363 605 HG2 GLN 103 1HG GLN 103 -1.532 4.294 -17.411 606 HG3 GLN 103 2HG GLN 103 0.071 3.861 -18.000 607 HE21 GLN 103 2HE2 GLN 103 0.458 1.480 -18.230 608 HE22 GLN 103 1HE2 GLN 103 -0.849 0.530 -18.845 609 H ALA 104 H ALA 104 2.342 5.437 -16.371 610 HA ALA 104 HA ALA 104 3.023 6.106 -13.630 611 HB1 ALA 104 3HB ALA 104 3.652 8.186 -15.510 612 HB2 ALA 104 1HB ALA 104 4.184 6.620 -16.123 613 HB3 ALA 104 2HB ALA 104 4.735 7.182 -14.545 614 H GLY 105 H GLY 105 1.917 7.440 -12.368 615 HA2 GLY 105 1HA GLY 105 0.693 9.804 -12.955 616 HA3 GLY 105 2HA GLY 105 -0.541 8.605 -13.307 617 H GLU 106 H GLU 106 -1.812 9.570 -11.635 618 HA GLU 106 HA GLU 106 -0.850 9.122 -8.903 619 HB2 GLU 106 1HB GLU 106 -2.660 11.054 -10.159 620 HB3 GLU 106 2HB GLU 106 -3.271 10.391 -8.651 621 HG2 GLU 106 1HG GLU 106 -1.520 11.261 -7.406 622 HG3 GLU 106 2HG GLU 106 -0.483 11.451 -8.819 623 H PHE 107 H PHE 107 -1.578 7.524 -7.711 624 HA PHE 107 HA PHE 107 -4.062 6.137 -8.511 625 HB2 PHE 107 1HB PHE 107 -1.479 5.009 -7.417 626 HB3 PHE 107 2HB PHE 107 -2.975 4.085 -7.474 627 HD1 PHE 107 HD1 PHE 107 -0.333 5.661 -9.477 628 HD2 PHE 107 HD2 PHE 107 -3.800 3.206 -9.531 629 HE1 PHE 107 HE1 PHE 107 0.174 5.004 -11.793 630 HE2 PHE 107 HE2 PHE 107 -3.303 2.541 -11.847 631 HZ PHE 107 HZ PHE 107 -1.312 3.442 -12.982 632 H SER 108 H SER 108 -4.887 4.758 -6.494 633 HA SER 108 HA SER 108 -4.389 6.073 -3.961 634 HB2 SER 108 1HB SER 108 -6.557 6.968 -3.615 635 HB3 SER 108 2HB SER 108 -6.078 7.496 -5.227 636 HG SER 108 HG SER 108 -7.276 5.601 -6.001 637 H PHE 109 H PHE 109 -5.545 5.124 -2.165 638 HA PHE 109 HA PHE 109 -6.934 2.611 -2.575 639 HB2 PHE 109 1HB PHE 109 -5.404 1.340 -1.069 640 HB3 PHE 109 2HB PHE 109 -4.670 1.786 -2.604 641 HD1 PHE 109 HD2 PHE 109 -2.995 3.624 -2.675 642 HD2 PHE 109 HD1 PHE 109 -4.517 2.091 0.992 643 HE1 PHE 109 HE2 PHE 109 -1.099 4.626 -1.473 644 HE2 PHE 109 HE1 PHE 109 -2.621 3.089 2.200 645 HZ PHE 109 HZ PHE 109 -0.908 4.358 0.967 646 H ALA 110 H ALA 110 -8.418 2.235 -1.003 647 HA ALA 110 HA ALA 110 -8.123 3.217 1.675 648 HB1 ALA 110 3HB ALA 110 -8.839 5.235 0.242 649 HB2 ALA 110 1HB ALA 110 -9.703 4.919 1.747 650 HB3 ALA 110 2HB ALA 110 -10.420 4.453 0.203 651 H CYS 111 H CYS 111 -10.376 3.033 2.843 652 HA CYS 111 HA CYS 111 -12.051 0.914 1.762 653 HB2 CYS 111 1HB CYS 111 -10.185 -0.223 3.001 654 HB3 CYS 111 2HB CYS 111 -10.732 0.590 4.464 655 HG CYS 111 HG CYS 111 -12.214 -1.943 2.756 656 H GLY 112 H GLY 112 -14.124 1.313 2.226 657 HA2 GLY 112 1HA GLY 112 -16.005 2.135 3.271 658 HA3 GLY 112 2HA GLY 112 -15.039 2.302 4.729 659 H MET 113 H MET 113 -15.841 4.292 5.331 660 HA MET 113 HA MET 113 -14.724 6.558 3.916 661 HB2 MET 113 1HB MET 113 -17.165 5.952 3.080 662 HB3 MET 113 2HB MET 113 -17.631 6.811 4.542 663 HG2 MET 113 1HG MET 113 -17.541 8.161 2.409 664 HG3 MET 113 2HG MET 113 -16.684 8.821 3.801 665 HE1 MET 113 3HE MET 113 -13.409 9.670 2.381 666 HE2 MET 113 1HE MET 113 -14.237 9.337 3.902 667 HE3 MET 113 2HE MET 113 -14.981 10.401 2.708 668 H ASN 114 H ASN 114 -13.525 6.414 5.969 669 HA ASN 114 HA ASN 114 -15.005 7.696 8.176 670 HB2 ASN 114 1HB ASN 114 -13.860 5.261 8.330 671 HB3 ASN 114 2HB ASN 114 -12.485 6.258 8.791 672 HD21 ASN 114 2HD2 ASN 114 -12.895 7.845 10.528 673 HD22 ASN 114 1HD2 ASN 114 -13.948 7.375 11.817 674 H MET 115 H MET 115 -13.892 9.224 6.131 675 HA MET 115 HA MET 115 -12.579 11.030 5.722 676 HB2 MET 115 1HB MET 115 -13.304 11.176 8.396 677 HB3 MET 115 2HB MET 115 -11.567 11.444 8.422 678 HG2 MET 115 1HG MET 115 -12.009 13.157 6.564 679 HG3 MET 115 2HG MET 115 -13.695 13.050 7.063 680 HE1 MET 115 3HE MET 115 -10.295 15.142 8.119 681 HE2 MET 115 1HE MET 115 -10.166 13.384 8.099 682 HE3 MET 115 2HE MET 115 -10.156 14.251 9.635 683 H MET 116 H MET 116 -11.351 8.513 5.399 684 HA MET 116 HA MET 116 -8.546 9.280 5.754 685 HB2 MET 116 1HB MET 116 -8.970 7.768 7.588 686 HB3 MET 116 2HB MET 116 -9.744 6.611 6.516 687 HG2 MET 116 1HG MET 116 -7.302 6.821 5.367 688 HG3 MET 116 2HG MET 116 -6.903 7.072 7.066 689 HE1 MET 116 3HE MET 116 -9.116 5.169 4.756 690 HE2 MET 116 1HE MET 116 -9.963 4.338 6.064 691 HE3 MET 116 2HE MET 116 -8.794 3.461 5.078 692 H HIS 117 H HIS 117 -7.285 8.851 4.005 693 HA HIS 117 HA HIS 117 -8.030 6.873 2.037 694 HB2 HIS 117 1HB HIS 117 -9.256 9.238 1.680 695 HB3 HIS 117 2HB HIS 117 -7.740 9.583 0.865 696 HD1 HIS 117 HD1 HIS 117 -7.106 7.519 -0.975 697 HD2 HIS 117 HD2 HIS 117 -11.088 8.213 0.004 698 HE1 HIS 117 HE1 HIS 117 -8.449 6.502 -2.841 699 H GLY 118 H GLY 118 -6.273 6.123 0.970 700 HA2 GLY 118 1HA GLY 118 -3.719 7.505 1.449 701 HA3 GLY 118 2HA GLY 118 -3.908 5.804 1.041 702 H LYS 119 H LYS 119 -2.241 7.872 -0.232 703 HA LYS 119 HA LYS 119 -3.348 7.653 -2.956 704 HB2 LYS 119 1HB LYS 119 -3.115 10.007 -1.674 705 HB3 LYS 119 2HB LYS 119 -1.510 9.902 -2.385 706 HG2 LYS 119 1HG LYS 119 -2.383 9.839 -4.580 707 HG3 LYS 119 2HG LYS 119 -4.025 9.567 -3.994 708 HD2 LYS 119 1HD LYS 119 -4.193 11.798 -4.376 709 HD3 LYS 119 2HD LYS 119 -3.511 11.879 -2.751 710 HE2 LYS 119 1HE LYS 119 -1.420 12.481 -3.513 711 HE3 LYS 119 2HE LYS 119 -1.676 11.761 -5.101 712 HZ1 LYS 119 3HZ LYS 119 -3.502 13.896 -4.572 713 HZ2 LYS 119 1HZ LYS 119 -2.470 13.665 -5.903 714 HZ3 LYS 119 2HZ LYS 119 -1.892 14.407 -4.487 715 H MET 120 H MET 120 -1.865 7.363 -4.655 716 HA MET 120 HA MET 120 0.902 6.723 -3.872 717 HB2 MET 120 1HB MET 120 -0.339 4.617 -3.981 718 HB3 MET 120 2HB MET 120 -0.898 5.011 -5.595 719 HG2 MET 120 1HG MET 120 1.824 5.194 -5.848 720 HG3 MET 120 2HG MET 120 1.624 3.857 -4.716 721 HE1 MET 120 3HE MET 120 0.386 0.995 -6.672 722 HE2 MET 120 1HE MET 120 -0.626 1.898 -5.545 723 HE3 MET 120 2HE MET 120 1.090 1.672 -5.202 724 H ILE 121 H ILE 121 2.472 7.247 -5.370 725 HA ILE 121 HA ILE 121 1.514 8.389 -7.920 726 HB ILE 121 HB ILE 121 3.716 9.473 -6.152 727 HG12 ILE 121 1HG1 ILE 121 2.034 11.543 -6.793 728 HG13 ILE 121 2HG1 ILE 121 0.911 10.194 -6.672 729 HG21 ILE 121 1HG2 ILE 121 3.988 11.213 -7.895 730 HG22 ILE 121 2HG2 ILE 121 2.904 10.293 -8.940 731 HG23 ILE 121 3HG2 ILE 121 4.451 9.603 -8.447 732 HD11 ILE 121 3HD1 ILE 121 1.443 9.813 -4.427 733 HD12 ILE 121 1HD1 ILE 121 1.311 11.565 -4.582 734 HD13 ILE 121 2HD1 ILE 121 2.900 10.803 -4.517 735 H VAL 122 H VAL 122 2.277 7.348 -9.624 736 HA VAL 122 HA VAL 122 4.717 5.733 -9.323 737 HB VAL 122 HB VAL 122 2.525 5.556 -11.397 738 HG11 VAL 122 1HG1 VAL 122 3.641 3.812 -12.425 739 HG12 VAL 122 2HG1 VAL 122 4.653 3.493 -11.016 740 HG13 VAL 122 3HG1 VAL 122 4.966 4.907 -12.023 741 HG21 VAL 122 3HG2 VAL 122 1.724 3.676 -10.275 742 HG22 VAL 122 1HG2 VAL 122 2.105 4.802 -8.972 743 HG23 VAL 122 2HG2 VAL 122 3.210 3.480 -9.346 744 H GLU 123 H GLU 123 6.538 6.356 -10.268 745 HA GLU 123 HA GLU 123 6.486 8.619 -12.111 746 HB2 GLU 123 1HB GLU 123 8.501 7.359 -10.344 747 HB3 GLU 123 2HB GLU 123 9.117 8.075 -11.829 748 HG2 GLU 123 1HG GLU 123 7.240 9.726 -10.260 749 HG3 GLU 123 2HG GLU 123 8.822 9.430 -9.541
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