NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562362 | 2m7f | 19211 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 HT1 GLY 1 -13.217 -10.298 -2.374 2 HA2 GLY 1 HA1 GLY 1 -12.950 -11.977 0.051 3 HA3 GLY 1 HA2 GLY 1 -11.906 -10.655 -0.472 4 H LYS 2 H LYS 2 -12.205 -9.057 1.024 5 HA LYS 2 HA LYS 2 -14.576 -8.610 2.528 6 HB2 LYS 2 HB2 LYS 2 -12.083 -7.097 1.959 7 HB3 LYS 2 HB1 LYS 2 -13.461 -6.142 2.508 8 HG2 LYS 2 HG2 LYS 2 -13.288 -8.538 4.089 9 HG3 LYS 2 HG1 LYS 2 -11.722 -7.727 4.091 10 HD2 LYS 2 HD2 LYS 2 -13.487 -5.622 4.380 11 HD3 LYS 2 HD1 LYS 2 -14.252 -6.899 5.327 12 HE2 LYS 2 HE2 LYS 2 -11.478 -5.744 5.655 13 HE3 LYS 2 HE1 LYS 2 -12.780 -5.802 6.842 14 HZ1 LYS 2 HZ1 LYS 2 -10.825 -7.782 6.198 15 HZ2 LYS 2 HZ2 LYS 2 -12.403 -8.407 6.129 16 HZ3 LYS 2 HZ3 LYS 2 -11.840 -7.669 7.551 17 H GLU 3 H GLU 3 -15.333 -5.980 2.229 18 HA GLU 3 HA GLU 3 -16.210 -5.740 -0.613 19 HB2 GLU 3 HB2 GLU 3 -18.490 -5.244 0.087 20 HB3 GLU 3 HB1 GLU 3 -18.019 -6.809 0.751 21 HG2 GLU 3 HG2 GLU 3 -17.199 -4.859 2.635 22 HG3 GLU 3 HG1 GLU 3 -18.845 -4.439 2.159 23 H CYS 4 H CYS 4 -14.467 -4.339 1.678 24 HA CYS 4 HA CYS 4 -15.311 -1.585 0.859 25 HB2 CYS 4 HB2 CYS 4 -14.468 -2.569 3.599 26 HB3 CYS 4 HB1 CYS 4 -14.494 -0.863 3.166 27 H ASP 5 H ASP 5 -13.693 -1.373 -0.682 28 HA ASP 5 HA ASP 5 -10.958 -2.197 -0.232 29 HB2 ASP 5 HB2 ASP 5 -12.172 -1.893 -2.482 30 HB3 ASP 5 HB1 ASP 5 -11.874 -0.167 -2.275 31 H CYS 6 H CYS 6 -12.762 0.771 0.319 32 HA CYS 6 HA CYS 6 -10.205 2.060 1.188 33 HB2 CYS 6 HB2 CYS 6 -11.191 4.197 0.709 34 HB3 CYS 6 HB1 CYS 6 -11.498 3.171 -0.691 35 H SER 7 H SER 7 -10.637 3.727 3.011 36 HA SER 7 HA SER 7 -12.439 2.424 5.007 37 HB2 SER 7 HB2 SER 7 -9.882 2.613 5.401 38 HB3 SER 7 HB1 SER 7 -10.193 4.324 5.678 39 HG SER 7 HG SER 7 -10.464 2.363 7.386 40 H SER 8 H SER 8 -11.894 5.294 3.191 41 HA SER 8 HA SER 8 -13.569 6.906 5.039 42 HB2 SER 8 HB2 SER 8 -12.564 8.045 2.480 43 HB3 SER 8 HB1 SER 8 -12.650 8.780 4.079 44 HG SER 8 HG SER 8 -10.733 8.014 4.529 45 HA PRO 9 HA PRO 9 -16.960 5.842 2.315 46 HB2 PRO 9 HB2 PRO 9 -18.894 7.015 3.881 47 HB3 PRO 9 HB1 PRO 9 -18.218 5.408 4.199 48 HG2 PRO 9 HG2 PRO 9 -17.701 7.976 5.625 49 HG3 PRO 9 HG1 PRO 9 -17.589 6.314 6.228 50 HD2 PRO 9 HD2 PRO 9 -15.409 7.943 5.455 51 HD3 PRO 9 HD1 PRO 9 -15.354 6.189 5.733 52 H GLU 10 H GLU 10 -15.558 8.808 2.975 53 HA GLU 10 HA GLU 10 -17.529 10.305 1.308 54 HB2 GLU 10 HB2 GLU 10 -16.474 11.064 3.680 55 HB3 GLU 10 HB1 GLU 10 -15.252 11.725 2.594 56 HG2 GLU 10 HG2 GLU 10 -16.821 13.093 1.470 57 HG3 GLU 10 HG1 GLU 10 -18.193 12.184 2.101 58 H ASN 11 H ASN 11 -14.952 8.441 0.817 59 HA ASN 11 HA ASN 11 -13.348 10.211 -0.879 60 HB2 ASN 11 HB2 ASN 11 -12.769 7.936 0.490 61 HB3 ASN 11 HB1 ASN 11 -13.056 7.271 -1.116 62 HD21 ASN 11 1HD2 ASN 11 -10.718 6.812 -1.326 63 HD22 ASN 11 2HD2 ASN 11 -9.623 8.068 -1.644 64 HA PRO 12 HA PRO 12 -15.953 9.433 -4.393 65 HB2 PRO 12 HB2 PRO 12 -14.383 10.762 -6.216 66 HB3 PRO 12 HB1 PRO 12 -15.454 11.580 -5.066 67 HG2 PRO 12 HG2 PRO 12 -12.483 11.340 -5.018 68 HG3 PRO 12 HG1 PRO 12 -13.519 12.595 -4.318 69 HD2 PRO 12 HD2 PRO 12 -12.297 10.468 -2.901 70 HD3 PRO 12 HD1 PRO 12 -13.581 11.532 -2.288 71 H CYS 13 H CYS 13 -12.586 8.515 -4.159 72 HA CYS 13 HA CYS 13 -12.449 7.113 -6.680 73 HB2 CYS 13 HB2 CYS 13 -10.535 7.947 -5.061 74 HB3 CYS 13 HB1 CYS 13 -10.730 6.347 -4.343 75 H CYS 14 H CYS 14 -13.682 6.295 -3.519 76 HA CYS 14 HA CYS 14 -14.130 3.514 -4.527 77 HB2 CYS 14 HB2 CYS 14 -13.902 2.668 -2.289 78 HB3 CYS 14 HB1 CYS 14 -12.503 3.697 -2.596 79 H ASP 15 H ASP 15 -16.229 2.959 -4.692 80 HA ASP 15 HA ASP 15 -18.374 4.742 -4.235 81 HB2 ASP 15 HB2 ASP 15 -18.231 2.452 -5.549 82 HB3 ASP 15 HB1 ASP 15 -18.805 1.785 -4.017 83 H ALA 16 H ALA 16 -19.373 5.354 -2.380 84 HA ALA 16 HA ALA 16 -18.550 4.369 0.194 85 HB1 ALA 16 HB1 ALA 16 -19.416 6.468 0.487 86 HB2 ALA 16 HB2 ALA 16 -20.925 5.586 0.719 87 HB3 ALA 16 HB3 ALA 16 -20.550 6.294 -0.852 88 H ALA 17 H ALA 17 -21.168 3.547 -2.008 89 HA ALA 17 HA ALA 17 -22.779 2.046 -0.187 90 HB1 ALA 17 HB1 ALA 17 -23.902 1.236 -2.085 91 HB2 ALA 17 HB2 ALA 17 -22.442 1.256 -3.072 92 HB3 ALA 17 HB3 ALA 17 -23.246 2.769 -2.658 93 H THR 18 H THR 18 -20.479 0.791 -2.630 94 HA THR 18 HA THR 18 -20.209 -1.678 -1.005 95 HB THR 18 HB THR 18 -20.618 -1.939 -3.425 96 HG1 THR 18 HG1 THR 18 -18.391 -2.998 -3.792 97 HG21 THR 18 3HG2 THR 18 -18.032 -0.380 -3.669 98 HG22 THR 18 1HG2 THR 18 -19.625 0.119 -4.240 99 HG23 THR 18 2HG2 THR 18 -18.802 -1.242 -5.002 100 H CYS 19 H CYS 19 -18.951 1.139 -0.589 101 HA CYS 19 HA CYS 19 -16.802 2.059 -0.156 102 HB2 CYS 19 HB2 CYS 19 -15.599 0.333 1.491 103 HB3 CYS 19 HB1 CYS 19 -16.984 1.283 1.996 104 H LYS 20 H LYS 20 -16.788 0.562 -2.647 105 HA LYS 20 HA LYS 20 -13.952 -0.400 -2.548 106 HB2 LYS 20 HB2 LYS 20 -16.300 -1.538 -4.074 107 HB3 LYS 20 HB1 LYS 20 -14.628 -1.879 -4.523 108 HG2 LYS 20 HG2 LYS 20 -14.939 -2.261 -1.689 109 HG3 LYS 20 HG1 LYS 20 -16.178 -3.180 -2.539 110 HD2 LYS 20 HD2 LYS 20 -14.610 -4.437 -3.742 111 HD3 LYS 20 HD1 LYS 20 -13.328 -3.251 -3.497 112 HE2 LYS 20 HE2 LYS 20 -12.728 -4.142 -1.501 113 HE3 LYS 20 HE1 LYS 20 -14.403 -4.362 -0.996 114 HZ1 LYS 20 HZ1 LYS 20 -12.807 -6.123 -2.767 115 HZ2 LYS 20 HZ2 LYS 20 -14.488 -6.274 -2.574 116 HZ3 LYS 20 HZ3 LYS 20 -13.453 -6.501 -1.245 117 H LEU 21 H LEU 21 -12.957 -0.309 -4.841 118 HA LEU 21 HA LEU 21 -13.093 2.383 -5.793 119 HB2 LEU 21 HB2 LEU 21 -11.904 -0.156 -6.915 120 HB3 LEU 21 HB1 LEU 21 -11.825 1.366 -7.804 121 HG LEU 21 HG LEU 21 -11.069 1.624 -4.977 122 HD11 LEU 21 1HD1 LEU 21 -10.229 -0.726 -5.886 123 HD12 LEU 21 2HD1 LEU 21 -9.164 0.305 -4.929 124 HD13 LEU 21 3HD1 LEU 21 -9.016 0.274 -6.685 125 HD21 LEU 21 3HD2 LEU 21 -9.899 3.343 -5.860 126 HD22 LEU 21 1HD2 LEU 21 -10.682 2.962 -7.394 127 HD23 LEU 21 2HD2 LEU 21 -9.094 2.287 -7.020 128 H ARG 22 H ARG 22 -14.767 3.252 -6.896 129 HA ARG 22 HA ARG 22 -16.736 1.572 -8.224 130 HB2 ARG 22 HB2 ARG 22 -17.789 3.432 -7.374 131 HB3 ARG 22 HB1 ARG 22 -16.409 4.483 -7.656 132 HG2 ARG 22 HG2 ARG 22 -16.935 4.724 -9.968 133 HG3 ARG 22 HG1 ARG 22 -18.064 3.368 -9.928 134 HD2 ARG 22 HD2 ARG 22 -19.140 5.673 -9.912 135 HD3 ARG 22 HD1 ARG 22 -19.634 4.601 -8.604 136 HE ARG 22 HE ARG 22 -18.275 5.915 -7.074 137 HH11 ARG 22 1HH1 ARG 22 -16.948 6.715 -9.990 138 HH12 ARG 22 2HH1 ARG 22 -16.991 8.432 -9.767 139 HH21 ARG 22 1HH2 ARG 22 -18.955 8.280 -6.915 140 HH22 ARG 22 2HH2 ARG 22 -18.126 9.318 -8.027 141 HA PRO 23 HA PRO 23 -14.835 3.482 -12.171 142 HB2 PRO 23 HB2 PRO 23 -12.500 4.907 -11.895 143 HB3 PRO 23 HB1 PRO 23 -14.111 5.642 -11.824 144 HG2 PRO 23 HG2 PRO 23 -12.211 5.068 -9.598 145 HG3 PRO 23 HG1 PRO 23 -13.469 6.310 -9.708 146 HD2 PRO 23 HD2 PRO 23 -13.670 3.886 -8.276 147 HD3 PRO 23 HD1 PRO 23 -15.016 4.965 -8.693 148 H GLY 24 H GLY 24 -12.246 3.401 -13.173 149 HA2 GLY 24 HA2 GLY 24 -11.483 0.617 -12.551 150 HA3 GLY 24 HA1 GLY 24 -10.886 1.573 -13.907 151 H ALA 25 H ALA 25 -10.929 2.940 -10.702 152 HA ALA 25 HA ALA 25 -8.069 3.403 -10.788 153 HB1 ALA 25 HB1 ALA 25 -9.130 5.101 -9.625 154 HB2 ALA 25 HB2 ALA 25 -8.649 4.074 -8.273 155 HB3 ALA 25 HB3 ALA 25 -10.301 4.010 -8.887 156 H GLN 26 H GLN 26 -6.460 2.148 -9.900 157 HA GLN 26 HA GLN 26 -7.078 -0.509 -8.960 158 HB2 GLN 26 HB2 GLN 26 -4.469 0.999 -8.664 159 HB3 GLN 26 HB1 GLN 26 -4.688 -0.746 -8.669 160 HG2 GLN 26 HG2 GLN 26 -5.863 0.415 -11.042 161 HG3 GLN 26 HG1 GLN 26 -4.174 0.903 -10.886 162 HE21 GLN 26 1HE2 GLN 26 -5.924 -1.401 -12.385 163 HE22 GLN 26 2HE2 GLN 26 -4.861 -2.720 -12.287 164 H CYS 27 H CYS 27 -6.946 2.528 -7.387 165 HA CYS 27 HA CYS 27 -7.337 1.214 -4.781 166 HB2 CYS 27 HB2 CYS 27 -5.502 2.544 -3.735 167 HB3 CYS 27 HB1 CYS 27 -4.917 1.339 -4.883 168 H GLY 28 H GLY 28 -8.408 2.559 -3.323 169 HA2 GLY 28 HA2 GLY 28 -9.353 5.129 -4.462 170 HA3 GLY 28 HA1 GLY 28 -10.171 4.227 -3.190 171 H GLU 29 H GLU 29 -7.960 3.675 -1.553 172 HA GLU 29 HA GLU 29 -6.711 6.273 -0.911 173 HB2 GLU 29 HB2 GLU 29 -8.881 6.319 0.274 174 HB3 GLU 29 HB1 GLU 29 -8.479 4.791 1.056 175 HG2 GLU 29 HG2 GLU 29 -6.466 6.967 1.279 176 HG3 GLU 29 HG1 GLU 29 -7.962 7.182 2.187 177 H GLY 30 H GLY 30 -4.756 5.994 0.246 178 HA2 GLY 30 HA2 GLY 30 -3.896 3.943 1.855 179 HA3 GLY 30 HA1 GLY 30 -3.699 3.262 0.241 180 H LEU 31 H LEU 31 -1.391 3.429 1.467 181 HA LEU 31 HA LEU 31 -0.122 6.059 1.120 182 HB2 LEU 31 HB2 LEU 31 0.766 3.368 2.125 183 HB3 LEU 31 HB1 LEU 31 1.970 4.583 1.695 184 HG LEU 31 HG LEU 31 -0.340 5.238 3.522 185 HD11 LEU 31 1HD1 LEU 31 0.976 3.293 4.426 186 HD12 LEU 31 2HD1 LEU 31 1.075 4.740 5.429 187 HD13 LEU 31 3HD1 LEU 31 2.417 4.307 4.371 188 HD21 LEU 31 3HD2 LEU 31 2.282 6.467 2.725 189 HD22 LEU 31 1HD2 LEU 31 1.610 6.831 4.314 190 HD23 LEU 31 2HD2 LEU 31 0.693 7.223 2.858 191 H CYS 32 H CYS 32 0.138 2.818 -0.362 192 HA CYS 32 HA CYS 32 1.986 3.807 -2.410 193 HB2 CYS 32 HB2 CYS 32 0.495 1.204 -2.623 194 HB3 CYS 32 HB1 CYS 32 2.137 1.589 -3.137 195 H CYS 33 H CYS 33 -1.131 4.494 -1.989 196 HA CYS 33 HA CYS 33 -2.035 3.921 -4.739 197 HB2 CYS 33 HB2 CYS 33 -3.650 3.642 -2.916 198 HB3 CYS 33 HB1 CYS 33 -3.439 5.326 -2.448 199 H GLU 34 H GLU 34 -1.424 5.297 -6.312 200 HA GLU 34 HA GLU 34 -1.331 8.219 -5.673 201 HB2 GLU 34 HB2 GLU 34 0.946 7.210 -6.033 202 HB3 GLU 34 HB1 GLU 34 0.439 6.762 -7.661 203 HG2 GLU 34 HG2 GLU 34 -0.181 9.260 -7.941 204 HG3 GLU 34 HG1 GLU 34 0.814 9.524 -6.509 205 H GLN 35 H GLN 35 -2.720 9.389 -6.940 206 HA GLN 35 HA GLN 35 -4.215 9.893 -8.684 207 HB2 GLN 35 HB2 GLN 35 -2.182 8.140 -10.055 208 HB3 GLN 35 HB1 GLN 35 -3.617 8.686 -10.923 209 HG2 GLN 35 HG2 GLN 35 -1.821 10.604 -9.431 210 HG3 GLN 35 HG1 GLN 35 -1.534 10.173 -11.116 211 HE21 GLN 35 1HE2 GLN 35 -3.534 10.500 -12.605 212 HE22 GLN 35 2HE2 GLN 35 -4.518 11.846 -12.283 213 H CYS 36 H CYS 36 -4.544 7.543 -6.840 214 HA CYS 36 HA CYS 36 -6.123 5.848 -6.519 215 HB2 CYS 36 HB2 CYS 36 -7.223 7.288 -8.909 216 HB3 CYS 36 HB1 CYS 36 -7.903 5.746 -8.441 217 H LYS 37 H LYS 37 -3.668 5.186 -7.743 218 HA LYS 37 HA LYS 37 -4.495 2.766 -9.221 219 HB2 LYS 37 HB2 LYS 37 -2.707 4.943 -10.285 220 HB3 LYS 37 HB1 LYS 37 -2.451 3.269 -10.780 221 HG2 LYS 37 HG2 LYS 37 -4.367 3.202 -12.019 222 HG3 LYS 37 HG1 LYS 37 -5.258 4.209 -10.877 223 HD2 LYS 37 HD2 LYS 37 -4.609 6.171 -11.884 224 HD3 LYS 37 HD1 LYS 37 -3.046 5.520 -12.380 225 HE2 LYS 37 HE2 LYS 37 -5.681 4.686 -13.621 226 HE3 LYS 37 HE1 LYS 37 -4.635 5.937 -14.292 227 HZ1 LYS 37 HZ1 LYS 37 -4.393 3.115 -14.472 228 HZ2 LYS 37 HZ2 LYS 37 -2.992 3.789 -13.784 229 HZ3 LYS 37 HZ3 LYS 37 -3.536 4.320 -15.305 230 H PHE 38 H PHE 38 -2.522 1.262 -9.395 231 HA PHE 38 HA PHE 38 -1.177 1.231 -6.800 232 HB2 PHE 38 HB2 PHE 38 -1.042 -0.543 -9.244 233 HB3 PHE 38 HB1 PHE 38 -0.020 -0.805 -7.835 234 HD1 PHE 38 HD2 PHE 38 -2.834 0.585 -6.429 235 HD2 PHE 38 HD1 PHE 38 -1.607 -3.029 -8.404 236 HE1 PHE 38 HE2 PHE 38 -4.667 -0.648 -5.311 237 HE2 PHE 38 HE1 PHE 38 -3.444 -4.260 -7.285 238 HZ PHE 38 HZ PHE 38 -4.974 -3.071 -5.739 239 H SER 39 H SER 39 0.534 2.553 -6.475 240 HA SER 39 HA SER 39 2.026 3.818 -8.540 241 HB2 SER 39 HB2 SER 39 3.089 3.228 -5.773 242 HB3 SER 39 HB1 SER 39 3.469 4.601 -6.808 243 HG SER 39 HG SER 39 1.764 4.693 -4.977 244 H ARG 40 H ARG 40 4.599 2.744 -6.862 245 HA ARG 40 HA ARG 40 4.927 0.286 -8.516 246 HB2 ARG 40 HB2 ARG 40 6.812 2.647 -8.294 247 HB3 ARG 40 HB1 ARG 40 7.337 1.064 -8.872 248 HG2 ARG 40 HG2 ARG 40 4.929 2.418 -10.078 249 HG3 ARG 40 HG1 ARG 40 6.557 2.818 -10.630 250 HD2 ARG 40 HD2 ARG 40 6.885 0.259 -10.861 251 HD3 ARG 40 HD1 ARG 40 5.128 0.167 -10.768 252 HE ARG 40 HE ARG 40 6.512 1.803 -12.855 253 HH11 ARG 40 1HH1 ARG 40 5.114 -1.178 -12.455 254 HH12 ARG 40 2HH1 ARG 40 3.900 -0.992 -13.677 255 HH21 ARG 40 1HH2 ARG 40 4.518 2.389 -14.145 256 HH22 ARG 40 2HH2 ARG 40 3.563 1.029 -14.633 257 H ALA 41 H ALA 41 6.635 -1.150 -7.655 258 HA ALA 41 HA ALA 41 6.543 -1.309 -4.765 259 HB1 ALA 41 HB1 ALA 41 8.654 -2.857 -6.132 260 HB2 ALA 41 HB2 ALA 41 7.033 -3.118 -6.777 261 HB3 ALA 41 HB3 ALA 41 7.361 -3.413 -5.069 262 H GLY 42 H GLY 42 8.421 -1.292 -3.373 263 HA2 GLY 42 HA2 GLY 42 10.377 -0.337 -2.552 264 HA3 GLY 42 HA1 GLY 42 10.923 -0.094 -4.201 265 H LYS 43 H LYS 43 7.799 1.062 -3.293 266 HA LYS 43 HA LYS 43 8.673 3.817 -3.845 267 HB2 LYS 43 HB2 LYS 43 6.570 3.911 -4.656 268 HB3 LYS 43 HB1 LYS 43 6.196 2.338 -3.971 269 HG2 LYS 43 HG2 LYS 43 4.622 3.772 -2.940 270 HG3 LYS 43 HG1 LYS 43 5.880 3.643 -1.725 271 HD2 LYS 43 HD2 LYS 43 6.640 5.796 -2.083 272 HD3 LYS 43 HD1 LYS 43 6.131 5.806 -3.770 273 HE2 LYS 43 HE2 LYS 43 3.713 5.666 -2.758 274 HE3 LYS 43 HE1 LYS 43 4.489 6.284 -1.299 275 HZ1 LYS 43 HZ1 LYS 43 5.440 8.076 -2.726 276 HZ2 LYS 43 HZ2 LYS 43 3.750 8.136 -2.548 277 HZ3 LYS 43 HZ3 LYS 43 4.436 7.541 -3.984 278 H ILE 44 H ILE 44 9.013 5.371 -2.292 279 HA ILE 44 HA ILE 44 9.249 4.559 0.459 280 HB ILE 44 HB ILE 44 9.561 7.114 -1.057 281 HG12 ILE 44 2HG1 ILE 44 11.440 5.567 -0.659 282 HG13 ILE 44 1HG1 ILE 44 11.701 7.089 0.198 283 HG21 ILE 44 1HG2 ILE 44 9.071 6.925 1.927 284 HG22 ILE 44 2HG2 ILE 44 8.216 7.939 0.765 285 HG23 ILE 44 3HG2 ILE 44 9.896 8.289 1.174 286 HD11 ILE 44 3HD1 ILE 44 12.040 5.756 2.014 287 HD12 ILE 44 1HD1 ILE 44 11.205 4.386 1.280 288 HD13 ILE 44 2HD1 ILE 44 10.279 5.671 2.056 289 H CYS 45 H CYS 45 7.567 4.170 1.737 290 HA CYS 45 HA CYS 45 5.083 5.773 1.348 291 HB2 CYS 45 HB2 CYS 45 4.179 3.724 2.815 292 HB3 CYS 45 HB1 CYS 45 4.251 3.658 1.061 293 H ARG 46 H ARG 46 7.619 4.907 3.456 294 HA ARG 46 HA ARG 46 6.661 6.821 5.447 295 HB2 ARG 46 HB2 ARG 46 6.461 3.886 5.864 296 HB3 ARG 46 HB1 ARG 46 7.112 4.822 7.209 297 HG2 ARG 46 HG2 ARG 46 5.120 6.358 6.997 298 HG3 ARG 46 HG1 ARG 46 4.447 5.223 5.825 299 HD2 ARG 46 HD2 ARG 46 5.111 3.530 7.864 300 HD3 ARG 46 HD1 ARG 46 4.673 4.983 8.763 301 HE ARG 46 HE ARG 46 2.822 3.795 6.735 302 HH11 ARG 46 1HH1 ARG 46 3.430 3.764 10.014 303 HH12 ARG 46 2HH1 ARG 46 1.866 4.327 10.500 304 HH21 ARG 46 1HH2 ARG 46 0.845 5.091 7.275 305 HH22 ARG 46 2HH2 ARG 46 0.402 5.076 8.950 306 H ILE 47 H ILE 47 8.300 6.363 7.516 307 HA ILE 47 HA ILE 47 11.014 6.289 6.264 308 HB ILE 47 HB ILE 47 10.819 7.670 8.848 309 HG12 ILE 47 2HG1 ILE 47 9.871 9.735 7.408 310 HG13 ILE 47 1HG1 ILE 47 9.006 8.429 6.598 311 HG21 ILE 47 1HG2 ILE 47 11.784 8.567 6.120 312 HG22 ILE 47 2HG2 ILE 47 12.765 7.678 7.285 313 HG23 ILE 47 3HG2 ILE 47 12.191 9.299 7.672 314 HD11 ILE 47 3HD1 ILE 47 9.050 8.485 9.595 315 HD12 ILE 47 1HD1 ILE 47 7.816 7.849 8.509 316 HD13 ILE 47 2HD1 ILE 47 7.973 9.589 8.740 317 H ALA 48 H ALA 48 12.737 5.748 8.009 318 HA ALA 48 HA ALA 48 11.768 3.341 9.449 319 HB1 ALA 48 HB1 ALA 48 13.774 3.246 7.908 320 HB2 ALA 48 HB2 ALA 48 14.081 2.669 9.546 321 HB3 ALA 48 HB3 ALA 48 14.623 4.276 9.062 322 H ARG 49 H ARG 49 11.527 3.370 11.636 323 HA ARG 49 HA ARG 49 12.105 5.808 13.122 324 HB2 ARG 49 HB2 ARG 49 10.967 3.107 13.820 325 HB3 ARG 49 HB1 ARG 49 11.413 4.242 15.094 326 HG2 ARG 49 HG2 ARG 49 9.587 5.507 14.717 327 HG3 ARG 49 HG1 ARG 49 9.913 5.565 12.984 328 HD2 ARG 49 HD2 ARG 49 7.759 4.465 13.394 329 HD3 ARG 49 HD1 ARG 49 8.915 3.306 12.738 330 HE ARG 49 HE ARG 49 9.259 2.582 15.170 331 HH11 ARG 49 1HH1 ARG 49 6.696 1.527 14.077 332 HH12 ARG 49 2HH1 ARG 49 5.552 2.005 15.287 333 HH21 ARG 49 1HH2 ARG 49 7.660 4.342 16.738 334 HH22 ARG 49 2HH2 ARG 49 6.098 3.598 16.793 335 H GLY 50 H GLY 50 14.453 5.829 12.696 336 HA2 GLY 50 HA2 GLY 50 16.193 5.399 14.665 337 HA3 GLY 50 HA1 GLY 50 16.022 3.739 14.097 338 H ASP 51 H ASP 51 17.140 3.133 12.255 339 HA ASP 51 HA ASP 51 17.968 4.907 10.184 340 HB2 ASP 51 HB2 ASP 51 19.659 4.864 12.566 341 HB3 ASP 51 HB1 ASP 51 20.544 4.415 11.108 342 H TRP 52 H TRP 52 16.963 2.704 9.512 343 HA TRP 52 HA TRP 52 19.228 0.850 8.938 344 HB2 TRP 52 HB2 TRP 52 16.896 -0.728 8.934 345 HB3 TRP 52 HB1 TRP 52 18.222 -0.799 10.091 346 HD1 TRP 52 HD TRP 52 14.787 0.831 9.574 347 HE1 TRP 52 HE1 TRP 52 13.856 1.519 11.879 348 HE3 TRP 52 HE3 TRP 52 18.827 -0.234 12.510 349 HZ2 TRP 52 HZ2 TRP 52 14.714 1.603 14.609 350 HZ3 TRP 52 HZ3 TRP 52 18.744 0.159 14.955 351 HH2 TRP 52 HH TRP 52 16.695 1.078 16.007 352 H ASN 53 H ASN 53 15.851 0.553 8.007 353 HA ASN 53 HA ASN 53 16.624 1.290 5.218 354 HB2 ASN 53 HB2 ASN 53 15.838 -1.298 6.196 355 HB3 ASN 53 HB1 ASN 53 14.603 -0.699 5.088 356 HD21 ASN 53 1HD2 ASN 53 15.470 -2.490 3.618 357 HD22 ASN 53 2HD2 ASN 53 16.835 -2.151 2.668 358 H ASP 54 H ASP 54 15.099 2.514 4.137 359 HA ASP 54 HA ASP 54 12.959 3.702 5.697 360 HB2 ASP 54 HB2 ASP 54 13.467 3.868 2.710 361 HB3 ASP 54 HB1 ASP 54 12.454 4.957 3.659 362 H ASP 55 H ASP 55 10.666 3.782 4.621 363 HA ASP 55 HA ASP 55 9.787 0.993 4.350 364 HB2 ASP 55 HB2 ASP 55 8.393 3.647 4.612 365 HB3 ASP 55 HB1 ASP 55 7.493 2.220 4.094 366 H ARG 56 H ARG 56 9.250 0.015 2.454 367 HA ARG 56 HA ARG 56 9.147 1.711 -0.021 368 HB2 ARG 56 HB2 ARG 56 10.795 -0.619 0.675 369 HB3 ARG 56 HB1 ARG 56 9.897 -0.849 -0.822 370 HG2 ARG 56 HG2 ARG 56 11.856 0.201 -1.574 371 HG3 ARG 56 HG1 ARG 56 10.733 1.543 -1.418 372 HD2 ARG 56 HD2 ARG 56 13.223 1.515 -0.342 373 HD3 ARG 56 HD1 ARG 56 11.888 2.490 0.249 374 HE ARG 56 HE ARG 56 11.531 0.810 2.012 375 HH11 ARG 56 1HH2 ARG 56 12.683 -1.597 0.746 376 HH12 ARG 56 2HH2 ARG 56 14.228 -1.740 1.517 377 HH21 ARG 56 1HH1 ARG 56 14.234 1.518 2.701 378 HH22 ARG 56 2HH1 ARG 56 15.105 0.023 2.621 379 H CYS 57 H CYS 57 7.340 1.404 -1.267 380 HA CYS 57 HA CYS 57 5.227 -0.334 -0.248 381 HB2 CYS 57 HB2 CYS 57 5.482 1.684 -2.431 382 HB3 CYS 57 HB1 CYS 57 4.187 0.496 -2.556 383 H THR 58 H THR 58 4.139 -1.938 -1.583 384 HA THR 58 HA THR 58 6.023 -3.727 -2.892 385 HB THR 58 HB THR 58 4.365 -4.883 -1.700 386 HG1 THR 58 HG1 THR 58 3.112 -5.884 -3.325 387 HG21 THR 58 3HG2 THR 58 2.518 -2.810 -2.854 388 HG22 THR 58 1HG2 THR 58 2.772 -3.250 -1.165 389 HG23 THR 58 2HG2 THR 58 1.878 -4.331 -2.232 390 H GLY 59 H GLY 59 3.756 -1.306 -3.931 391 HA2 GLY 59 HA2 GLY 59 3.700 -0.348 -6.120 392 HA3 GLY 59 HA1 GLY 59 4.662 -1.705 -6.707 393 H GLN 60 H GLN 60 2.766 -3.618 -5.315 394 HA GLN 60 HA GLN 60 0.668 -3.547 -7.432 395 HB2 GLN 60 HB2 GLN 60 1.189 -5.933 -5.683 396 HB3 GLN 60 HB1 GLN 60 0.597 -5.878 -7.344 397 HG2 GLN 60 HG2 GLN 60 2.868 -5.003 -8.028 398 HG3 GLN 60 HG1 GLN 60 3.419 -5.344 -6.388 399 HE21 GLN 60 1HE2 GLN 60 3.731 -6.665 -9.306 400 HE22 GLN 60 2HE2 GLN 60 3.623 -8.319 -8.941 401 H SER 61 H SER 61 1.127 -2.933 -4.144 402 HA SER 61 HA SER 61 -1.789 -3.399 -3.622 403 HB2 SER 61 HB2 SER 61 0.058 -4.684 -2.257 404 HB3 SER 61 HB1 SER 61 0.226 -3.150 -1.407 405 HG SER 61 HG SER 61 -1.388 -4.779 -0.624 406 H ALA 62 H ALA 62 -2.703 -1.816 -1.996 407 HA ALA 62 HA ALA 62 -1.748 0.902 -2.681 408 HB1 ALA 62 HB1 ALA 62 -4.191 0.160 -1.054 409 HB2 ALA 62 HB2 ALA 62 -4.199 0.208 -2.817 410 HB3 ALA 62 HB3 ALA 62 -3.876 1.678 -1.897 411 H ASP 63 H ASP 63 -2.283 -1.168 0.149 412 HA ASP 63 HA ASP 63 -1.402 0.901 2.018 413 HB2 ASP 63 HB2 ASP 63 -2.853 -1.439 2.268 414 HB3 ASP 63 HB1 ASP 63 -1.288 -1.885 2.948 415 H CYS 64 H CYS 64 0.652 1.059 2.949 416 HA CYS 64 HA CYS 64 2.806 -0.256 1.453 417 HB2 CYS 64 HB2 CYS 64 3.195 2.044 1.956 418 HB3 CYS 64 HB1 CYS 64 2.771 1.828 3.649 419 HA PRO 65 HA PRO 65 3.179 -3.511 4.368 420 HB2 PRO 65 HB2 PRO 65 5.375 -4.617 3.163 421 HB3 PRO 65 HB1 PRO 65 3.732 -4.844 2.566 422 HG2 PRO 65 HG2 PRO 65 5.933 -3.181 1.464 423 HG3 PRO 65 HG1 PRO 65 4.530 -3.876 0.638 424 HD2 PRO 65 HD2 PRO 65 4.823 -1.181 1.455 425 HD3 PRO 65 HD1 PRO 65 3.327 -1.958 0.897 426 H ARG 66 H ARG 66 4.687 -4.117 6.067 427 HA ARG 66 HA ARG 66 6.457 -1.943 6.901 428 HB2 ARG 66 HB2 ARG 66 5.015 -3.423 8.435 429 HB3 ARG 66 HB1 ARG 66 6.238 -4.670 8.190 430 HG2 ARG 66 HG2 ARG 66 7.238 -3.689 9.988 431 HG3 ARG 66 HG1 ARG 66 7.818 -2.535 8.788 432 HD2 ARG 66 HD2 ARG 66 6.671 -0.891 9.804 433 HD3 ARG 66 HD1 ARG 66 5.166 -1.773 9.539 434 HE ARG 66 HE ARG 66 6.735 -1.739 12.029 435 HH11 ARG 66 1HH2 ARG 66 5.889 -4.568 11.095 436 HH12 ARG 66 2HH2 ARG 66 4.412 -4.757 11.980 437 HH21 ARG 66 1HH1 ARG 66 4.135 -1.386 12.753 438 HH22 ARG 66 2HH1 ARG 66 3.418 -2.955 12.918 439 H ASN 67 H ASN 67 8.375 -1.802 5.800 440 HA ASN 67 HA ASN 67 9.882 -4.345 5.326 441 HB2 ASN 67 HB2 ASN 67 9.553 -1.838 3.751 442 HB3 ASN 67 HB1 ASN 67 11.142 -2.604 3.711 443 HD21 ASN 67 1HD2 ASN 67 10.844 -3.299 1.469 444 HD22 ASN 67 2HD2 ASN 67 9.780 -4.562 1.075 445 H GLY 68 H GLY 68 9.762 -2.083 7.583 446 HA2 GLY 68 HA2 GLY 68 12.497 -1.104 7.644 447 HA3 GLY 68 HA1 GLY 68 11.335 -1.000 8.967 448 H LEU 69 H LEU 69 12.610 -1.814 10.633 449 HA LEU 69 HA LEU 69 13.745 -4.551 10.230 450 HB2 LEU 69 HB2 LEU 69 14.853 -2.173 11.371 451 HB3 LEU 69 HB1 LEU 69 14.682 -3.368 12.656 452 HG LEU 69 HG LEU 69 15.817 -4.215 10.010 453 HD11 LEU 69 1HD1 LEU 69 17.252 -2.390 10.395 454 HD12 LEU 69 2HD1 LEU 69 18.100 -3.730 11.164 455 HD13 LEU 69 3HD1 LEU 69 17.184 -2.586 12.146 456 HD21 LEU 69 3HD2 LEU 69 15.503 -6.036 11.455 457 HD22 LEU 69 1HD2 LEU 69 15.921 -5.095 12.887 458 HD23 LEU 69 2HD2 LEU 69 17.184 -5.601 11.765 459 H TYR 70 H TYR 70 10.953 -4.096 10.811 460 HA TYR 70 HA TYR 70 10.829 -5.471 13.452 461 HB2 TYR 70 HB2 TYR 70 8.884 -3.303 12.619 462 HB3 TYR 70 HB1 TYR 70 8.976 -4.114 14.183 463 HD1 TYR 70 HD1 TYR 70 10.559 -1.639 11.956 464 HD2 TYR 70 HD2 TYR 70 10.731 -3.573 15.787 465 HE1 TYR 70 HE1 TYR 70 12.181 0.063 12.741 466 HE2 TYR 70 HE2 TYR 70 12.355 -1.871 16.573 467 HH TYR 70 HH TYR 70 12.785 0.845 15.597 468 H GLY 71 H GLY 71 8.913 -6.835 13.666 469 HA2 GLY 71 HA2 GLY 71 6.721 -7.313 12.261 470 HA3 GLY 71 HA1 GLY 71 7.901 -7.719 11.014 Start of MODEL 2 1 H GLY 1 HT1 GLY 1 -19.361 -10.867 3.932 2 HA2 GLY 1 HA1 GLY 1 -16.719 -11.618 4.516 3 HA3 GLY 1 HA2 GLY 1 -16.862 -11.316 2.784 4 H LYS 2 H LYS 2 -15.812 -9.302 2.762 5 HA LYS 2 HA LYS 2 -17.082 -7.154 4.411 6 HB2 LYS 2 HB2 LYS 2 -14.317 -7.810 3.814 7 HB3 LYS 2 HB1 LYS 2 -14.695 -6.161 3.316 8 HG2 LYS 2 HG2 LYS 2 -15.940 -6.561 5.836 9 HG3 LYS 2 HG1 LYS 2 -14.292 -7.175 5.975 10 HD2 LYS 2 HD2 LYS 2 -13.400 -5.101 5.859 11 HD3 LYS 2 HD1 LYS 2 -14.435 -4.648 4.504 12 HE2 LYS 2 HE2 LYS 2 -14.916 -3.256 6.488 13 HE3 LYS 2 HE1 LYS 2 -16.308 -4.249 6.057 14 HZ1 LYS 2 HZ1 LYS 2 -14.851 -4.214 8.466 15 HZ2 LYS 2 HZ2 LYS 2 -14.721 -5.758 7.766 16 HZ3 LYS 2 HZ3 LYS 2 -16.252 -5.092 8.087 17 H GLU 3 H GLU 3 -16.203 -4.945 2.994 18 HA GLU 3 HA GLU 3 -16.634 -5.111 0.159 19 HB2 GLU 3 HB2 GLU 3 -18.891 -3.919 0.201 20 HB3 GLU 3 HB1 GLU 3 -18.923 -5.628 0.640 21 HG2 GLU 3 HG2 GLU 3 -18.559 -4.688 3.083 22 HG3 GLU 3 HG1 GLU 3 -19.244 -3.217 2.394 23 H CYS 4 H CYS 4 -14.966 -3.772 2.202 24 HA CYS 4 HA CYS 4 -15.436 -0.954 1.313 25 HB2 CYS 4 HB2 CYS 4 -14.605 -1.971 4.044 26 HB3 CYS 4 HB1 CYS 4 -14.425 -0.289 3.555 27 H ASP 5 H ASP 5 -13.897 -1.092 -0.329 28 HA ASP 5 HA ASP 5 -11.278 -2.257 0.043 29 HB2 ASP 5 HB2 ASP 5 -12.763 -1.478 -2.131 30 HB3 ASP 5 HB1 ASP 5 -11.553 -0.197 -2.048 31 H CYS 6 H CYS 6 -12.642 0.901 0.651 32 HA CYS 6 HA CYS 6 -9.888 1.918 1.222 33 HB2 CYS 6 HB2 CYS 6 -10.974 4.197 1.053 34 HB3 CYS 6 HB1 CYS 6 -10.942 3.284 -0.455 35 H SER 7 H SER 7 -9.723 3.357 3.131 36 HA SER 7 HA SER 7 -11.508 2.384 5.305 37 HB2 SER 7 HB2 SER 7 -9.099 2.061 5.662 38 HB3 SER 7 HB1 SER 7 -8.818 3.782 5.415 39 HG SER 7 HG SER 7 -9.902 2.423 7.583 40 H SER 8 H SER 8 -11.343 4.972 3.250 41 HA SER 8 HA SER 8 -12.476 6.791 5.335 42 HB2 SER 8 HB2 SER 8 -11.300 7.909 2.828 43 HB3 SER 8 HB1 SER 8 -11.373 8.612 4.441 44 HG SER 8 HG SER 8 -9.406 7.205 3.300 45 HA PRO 9 HA PRO 9 -16.035 6.521 2.676 46 HB2 PRO 9 HB2 PRO 9 -17.607 8.221 4.159 47 HB3 PRO 9 HB1 PRO 9 -17.314 6.529 4.596 48 HG2 PRO 9 HG2 PRO 9 -16.183 9.005 5.816 49 HG3 PRO 9 HG1 PRO 9 -16.448 7.414 6.548 50 HD2 PRO 9 HD2 PRO 9 -13.967 8.423 5.642 51 HD3 PRO 9 HD1 PRO 9 -14.317 6.730 6.053 52 H GLU 10 H GLU 10 -14.326 9.425 3.563 53 HA GLU 10 HA GLU 10 -15.821 11.188 1.773 54 HB2 GLU 10 HB2 GLU 10 -13.063 11.667 2.923 55 HB3 GLU 10 HB1 GLU 10 -14.241 12.872 2.404 56 HG2 GLU 10 HG2 GLU 10 -15.006 10.925 4.553 57 HG3 GLU 10 HG1 GLU 10 -13.984 12.303 4.967 58 H ASN 11 H ASN 11 -13.565 8.753 1.289 59 HA ASN 11 HA ASN 11 -11.981 9.921 -0.815 60 HB2 ASN 11 HB2 ASN 11 -11.093 7.980 0.227 61 HB3 ASN 11 HB1 ASN 11 -12.598 7.086 0.017 62 HD21 ASN 11 1HD2 ASN 11 -11.111 5.448 -1.072 63 HD22 ASN 11 2HD2 ASN 11 -10.741 5.674 -2.712 64 HA PRO 12 HA PRO 12 -15.255 9.770 -3.845 65 HB2 PRO 12 HB2 PRO 12 -13.764 10.856 -5.882 66 HB3 PRO 12 HB1 PRO 12 -14.494 11.817 -4.585 67 HG2 PRO 12 HG2 PRO 12 -11.636 11.067 -4.983 68 HG3 PRO 12 HG1 PRO 12 -12.322 12.461 -4.134 69 HD2 PRO 12 HD2 PRO 12 -11.293 10.119 -2.920 70 HD3 PRO 12 HD1 PRO 12 -12.266 11.372 -2.120 71 H CYS 13 H CYS 13 -11.961 8.605 -4.500 72 HA CYS 13 HA CYS 13 -12.393 7.172 -6.865 73 HB2 CYS 13 HB2 CYS 13 -10.251 7.540 -5.378 74 HB3 CYS 13 HB1 CYS 13 -10.710 5.983 -4.685 75 H CYS 14 H CYS 14 -12.710 5.923 -3.520 76 HA CYS 14 HA CYS 14 -14.065 3.518 -4.596 77 HB2 CYS 14 HB2 CYS 14 -13.846 2.619 -2.370 78 HB3 CYS 14 HB1 CYS 14 -12.311 3.384 -2.782 79 H ASP 15 H ASP 15 -16.241 3.251 -4.524 80 HA ASP 15 HA ASP 15 -18.046 5.356 -3.997 81 HB2 ASP 15 HB2 ASP 15 -18.384 2.998 -5.143 82 HB3 ASP 15 HB1 ASP 15 -18.874 2.513 -3.516 83 H ALA 16 H ALA 16 -18.947 6.132 -2.117 84 HA ALA 16 HA ALA 16 -17.879 5.297 0.428 85 HB1 ALA 16 HB1 ALA 16 -18.686 7.600 0.013 86 HB2 ALA 16 HB2 ALA 16 -19.522 6.870 1.385 87 HB3 ALA 16 HB3 ALA 16 -20.327 6.985 -0.180 88 H ALA 17 H ALA 17 -21.094 4.907 -1.084 89 HA ALA 17 HA ALA 17 -22.359 3.461 0.966 90 HB1 ALA 17 HB1 ALA 17 -22.608 3.384 -2.037 91 HB2 ALA 17 HB2 ALA 17 -23.732 4.054 -0.854 92 HB3 ALA 17 HB3 ALA 17 -23.572 2.306 -1.027 93 H THR 18 H THR 18 -20.520 2.102 -1.798 94 HA THR 18 HA THR 18 -20.412 -0.496 -0.367 95 HB THR 18 HB THR 18 -19.557 -1.394 -2.479 96 HG1 THR 18 HG1 THR 18 -19.330 0.053 -4.240 97 HG21 THR 18 3HG2 THR 18 -21.545 -0.146 -3.927 98 HG22 THR 18 1HG2 THR 18 -22.060 0.125 -2.263 99 HG23 THR 18 2HG2 THR 18 -21.789 -1.517 -2.844 100 H CYS 19 H CYS 19 -18.743 2.196 -0.055 101 HA CYS 19 HA CYS 19 -16.453 2.782 0.207 102 HB2 CYS 19 HB2 CYS 19 -15.435 0.969 1.869 103 HB3 CYS 19 HB1 CYS 19 -16.643 2.125 2.397 104 H LYS 20 H LYS 20 -16.815 1.162 -2.214 105 HA LYS 20 HA LYS 20 -14.100 -0.093 -2.221 106 HB2 LYS 20 HB2 LYS 20 -16.597 -1.184 -3.556 107 HB3 LYS 20 HB1 LYS 20 -14.971 -1.834 -3.767 108 HG2 LYS 20 HG2 LYS 20 -15.583 -1.550 -0.949 109 HG3 LYS 20 HG1 LYS 20 -16.816 -2.523 -1.752 110 HD2 LYS 20 HD2 LYS 20 -13.936 -3.068 -2.376 111 HD3 LYS 20 HD1 LYS 20 -14.595 -3.652 -0.847 112 HE2 LYS 20 HE2 LYS 20 -16.053 -5.121 -1.875 113 HE3 LYS 20 HE1 LYS 20 -16.190 -4.133 -3.329 114 HZ1 LYS 20 HZ1 LYS 20 -14.532 -6.329 -2.899 115 HZ2 LYS 20 HZ2 LYS 20 -13.525 -4.968 -3.035 116 HZ3 LYS 20 HZ3 LYS 20 -14.622 -5.346 -4.277 117 H LEU 21 H LEU 21 -13.224 -0.265 -4.503 118 HA LEU 21 HA LEU 21 -13.317 2.266 -5.802 119 HB2 LEU 21 HB2 LEU 21 -12.308 -0.451 -6.624 120 HB3 LEU 21 HB1 LEU 21 -12.269 0.903 -7.752 121 HG LEU 21 HG LEU 21 -11.264 1.948 -5.357 122 HD11 LEU 21 1HD1 LEU 21 -9.435 0.396 -4.786 123 HD12 LEU 21 2HD1 LEU 21 -10.069 -0.776 -5.943 124 HD13 LEU 21 3HD1 LEU 21 -11.006 -0.356 -4.509 125 HD21 LEU 21 3HD2 LEU 21 -10.597 1.875 -8.016 126 HD22 LEU 21 1HD2 LEU 21 -9.284 0.949 -7.293 127 HD23 LEU 21 2HD2 LEU 21 -9.595 2.599 -6.757 128 H ARG 22 H ARG 22 -14.982 3.082 -6.978 129 HA ARG 22 HA ARG 22 -17.097 1.330 -7.968 130 HB2 ARG 22 HB2 ARG 22 -17.069 3.925 -7.134 131 HB3 ARG 22 HB1 ARG 22 -17.052 4.139 -8.885 132 HG2 ARG 22 HG2 ARG 22 -18.913 2.063 -8.299 133 HG3 ARG 22 HG1 ARG 22 -19.261 3.411 -7.214 134 HD2 ARG 22 HD2 ARG 22 -19.351 4.953 -9.119 135 HD3 ARG 22 HD1 ARG 22 -18.939 3.641 -10.222 136 HE ARG 22 HE ARG 22 -21.384 3.291 -8.589 137 HH11 ARG 22 1HH1 ARG 22 -20.750 1.711 -11.078 138 HH12 ARG 22 2HH1 ARG 22 -21.771 2.474 -12.250 139 HH21 ARG 22 1HH2 ARG 22 -22.330 5.298 -10.319 140 HH22 ARG 22 2HH2 ARG 22 -22.665 4.504 -11.822 141 HA PRO 23 HA PRO 23 -15.338 2.756 -12.177 142 HB2 PRO 23 HB2 PRO 23 -12.972 4.154 -12.157 143 HB3 PRO 23 HB1 PRO 23 -14.565 4.923 -12.067 144 HG2 PRO 23 HG2 PRO 23 -12.543 4.548 -9.915 145 HG3 PRO 23 HG1 PRO 23 -13.825 5.764 -10.050 146 HD2 PRO 23 HD2 PRO 23 -13.880 3.426 -8.436 147 HD3 PRO 23 HD1 PRO 23 -15.247 4.508 -8.771 148 H GLY 24 H GLY 24 -12.783 2.574 -13.279 149 HA2 GLY 24 HA2 GLY 24 -12.033 -0.175 -12.504 150 HA3 GLY 24 HA1 GLY 24 -11.481 0.680 -13.945 151 H ALA 25 H ALA 25 -11.350 2.330 -10.892 152 HA ALA 25 HA ALA 25 -8.503 2.735 -11.106 153 HB1 ALA 25 HB1 ALA 25 -9.458 4.470 -9.916 154 HB2 ALA 25 HB2 ALA 25 -8.978 3.449 -8.559 155 HB3 ALA 25 HB3 ALA 25 -10.644 3.421 -9.137 156 H GLN 26 H GLN 26 -6.832 1.850 -9.706 157 HA GLN 26 HA GLN 26 -7.334 -0.934 -8.968 158 HB2 GLN 26 HB2 GLN 26 -5.038 0.742 -9.488 159 HB3 GLN 26 HB1 GLN 26 -4.824 -0.108 -7.958 160 HG2 GLN 26 HG2 GLN 26 -5.931 -1.773 -10.125 161 HG3 GLN 26 HG1 GLN 26 -4.287 -1.199 -10.410 162 HE21 GLN 26 1HE2 GLN 26 -2.811 -2.732 -9.689 163 HE22 GLN 26 2HE2 GLN 26 -2.977 -3.658 -8.277 164 H CYS 27 H CYS 27 -6.255 1.965 -7.170 165 HA CYS 27 HA CYS 27 -7.550 0.769 -4.759 166 HB2 CYS 27 HB2 CYS 27 -5.432 0.614 -3.925 167 HB3 CYS 27 HB1 CYS 27 -4.769 1.682 -5.155 168 H GLY 28 H GLY 28 -8.795 2.191 -3.569 169 HA2 GLY 28 HA2 GLY 28 -9.359 4.778 -4.849 170 HA3 GLY 28 HA1 GLY 28 -10.272 4.066 -3.517 171 H GLU 29 H GLU 29 -7.982 3.470 -1.896 172 HA GLU 29 HA GLU 29 -6.672 6.070 -1.392 173 HB2 GLU 29 HB2 GLU 29 -8.788 6.135 -0.095 174 HB3 GLU 29 HB1 GLU 29 -8.326 4.634 0.707 175 HG2 GLU 29 HG2 GLU 29 -6.345 6.859 0.750 176 HG3 GLU 29 HG1 GLU 29 -7.778 7.041 1.763 177 H GLY 30 H GLY 30 -4.754 5.798 -0.041 178 HA2 GLY 30 HA2 GLY 30 -3.896 3.578 1.355 179 HA3 GLY 30 HA1 GLY 30 -3.563 3.148 -0.324 180 H LEU 31 H LEU 31 -1.485 3.467 1.568 181 HA LEU 31 HA LEU 31 -0.321 6.077 1.593 182 HB2 LEU 31 HB2 LEU 31 0.379 3.489 2.521 183 HB3 LEU 31 HB1 LEU 31 1.716 4.042 1.514 184 HG LEU 31 HG LEU 31 1.926 4.729 3.920 185 HD11 LEU 31 1HD1 LEU 31 1.558 6.987 1.926 186 HD12 LEU 31 2HD1 LEU 31 3.018 6.017 2.116 187 HD13 LEU 31 3HD1 LEU 31 2.488 7.079 3.421 188 HD21 LEU 31 3HD2 LEU 31 0.162 6.943 3.932 189 HD22 LEU 31 1HD2 LEU 31 0.079 5.506 4.950 190 HD23 LEU 31 2HD2 LEU 31 -0.796 5.554 3.419 191 H CYS 32 H CYS 32 -0.227 3.460 -0.756 192 HA CYS 32 HA CYS 32 1.377 5.242 -2.539 193 HB2 CYS 32 HB2 CYS 32 1.321 2.216 -2.402 194 HB3 CYS 32 HB1 CYS 32 2.189 3.149 -3.625 195 H CYS 33 H CYS 33 -0.846 6.088 -3.039 196 HA CYS 33 HA CYS 33 -2.016 4.495 -5.265 197 HB2 CYS 33 HB2 CYS 33 -3.530 5.790 -2.982 198 HB3 CYS 33 HB1 CYS 33 -4.299 5.233 -4.467 199 H GLU 34 H GLU 34 -1.166 5.909 -6.825 200 HA GLU 34 HA GLU 34 -1.929 8.786 -6.577 201 HB2 GLU 34 HB2 GLU 34 0.150 7.458 -8.346 202 HB3 GLU 34 HB1 GLU 34 -0.192 9.188 -8.296 203 HG2 GLU 34 HG2 GLU 34 0.189 8.467 -5.618 204 HG3 GLU 34 HG1 GLU 34 1.442 7.592 -6.499 205 H GLN 35 H GLN 35 -3.408 9.590 -8.029 206 HA GLN 35 HA GLN 35 -4.957 9.593 -9.789 207 HB2 GLN 35 HB2 GLN 35 -2.860 9.407 -11.157 208 HB3 GLN 35 HB1 GLN 35 -3.014 7.651 -11.080 209 HG2 GLN 35 HG2 GLN 35 -4.885 7.613 -12.449 210 HG3 GLN 35 HG1 GLN 35 -5.371 9.251 -12.004 211 HE21 GLN 35 1HE2 GLN 35 -2.011 8.676 -12.841 212 HE22 GLN 35 2HE2 GLN 35 -2.061 9.435 -14.360 213 H CYS 36 H CYS 36 -5.071 7.632 -7.589 214 HA CYS 36 HA CYS 36 -6.411 5.813 -6.975 215 HB2 CYS 36 HB2 CYS 36 -7.536 6.492 -9.687 216 HB3 CYS 36 HB1 CYS 36 -8.082 5.071 -8.811 217 H LYS 37 H LYS 37 -3.891 5.652 -8.897 218 HA LYS 37 HA LYS 37 -4.334 2.818 -9.721 219 HB2 LYS 37 HB2 LYS 37 -2.911 5.075 -10.899 220 HB3 LYS 37 HB1 LYS 37 -1.885 3.645 -10.765 221 HG2 LYS 37 HG2 LYS 37 -4.168 2.494 -11.660 222 HG3 LYS 37 HG1 LYS 37 -4.313 4.082 -12.415 223 HD2 LYS 37 HD2 LYS 37 -1.898 3.767 -13.202 224 HD3 LYS 37 HD1 LYS 37 -2.070 2.079 -12.719 225 HE2 LYS 37 HE2 LYS 37 -3.449 1.584 -14.462 226 HE3 LYS 37 HE1 LYS 37 -4.288 3.133 -14.364 227 HZ1 LYS 37 HZ1 LYS 37 -2.412 4.194 -15.428 228 HZ2 LYS 37 HZ2 LYS 37 -2.989 2.926 -16.401 229 HZ3 LYS 37 HZ3 LYS 37 -1.569 2.722 -15.489 230 H PHE 38 H PHE 38 -2.336 1.416 -9.488 231 HA PHE 38 HA PHE 38 -1.394 1.568 -6.728 232 HB2 PHE 38 HB2 PHE 38 -1.195 -0.354 -8.994 233 HB3 PHE 38 HB1 PHE 38 0.087 -0.420 -7.791 234 HD1 PHE 38 HD1 PHE 38 -3.126 0.793 -6.624 235 HD2 PHE 38 HD2 PHE 38 -0.767 -2.738 -7.268 236 HE1 PHE 38 HE1 PHE 38 -4.617 -0.487 -5.113 237 HE2 PHE 38 HE2 PHE 38 -2.259 -4.013 -5.753 238 HZ PHE 38 HZ PHE 38 -4.186 -2.886 -4.674 239 H SER 39 H SER 39 0.478 2.568 -6.092 240 HA SER 39 HA SER 39 2.136 3.992 -7.941 241 HB2 SER 39 HB2 SER 39 3.148 3.092 -5.248 242 HB3 SER 39 HB1 SER 39 3.423 4.620 -6.083 243 HG SER 39 HG SER 39 1.896 5.140 -4.653 244 H ARG 40 H ARG 40 4.602 2.669 -6.338 245 HA ARG 40 HA ARG 40 4.781 0.233 -8.033 246 HB2 ARG 40 HB2 ARG 40 6.586 2.637 -8.123 247 HB3 ARG 40 HB1 ARG 40 7.252 1.039 -8.453 248 HG2 ARG 40 HG2 ARG 40 6.154 0.848 -10.443 249 HG3 ARG 40 HG1 ARG 40 4.705 1.645 -9.831 250 HD2 ARG 40 HD2 ARG 40 5.433 3.733 -10.429 251 HD3 ARG 40 HD1 ARG 40 7.123 3.350 -10.102 252 HE ARG 40 HE ARG 40 5.744 2.986 -12.656 253 HH11 ARG 40 1HH2 ARG 40 8.674 3.781 -11.901 254 HH12 ARG 40 2HH2 ARG 40 9.529 2.448 -12.603 255 HH21 ARG 40 1HH1 ARG 40 6.689 0.501 -13.012 256 HH22 ARG 40 2HH1 ARG 40 8.404 0.592 -13.234 257 H ALA 41 H ALA 41 6.535 -1.221 -7.302 258 HA ALA 41 HA ALA 41 6.685 -1.351 -4.416 259 HB1 ALA 41 HB1 ALA 41 6.943 -3.202 -6.401 260 HB2 ALA 41 HB2 ALA 41 7.506 -3.460 -4.748 261 HB3 ALA 41 HB3 ALA 41 8.638 -2.930 -5.993 262 H GLY 42 H GLY 42 8.792 -1.392 -3.216 263 HA2 GLY 42 HA2 GLY 42 10.882 -0.430 -2.684 264 HA3 GLY 42 HA1 GLY 42 11.133 -0.174 -4.413 265 H LYS 43 H LYS 43 8.209 0.954 -2.926 266 HA LYS 43 HA LYS 43 9.149 3.760 -3.375 267 HB2 LYS 43 HB2 LYS 43 7.223 3.383 -4.677 268 HB3 LYS 43 HB1 LYS 43 6.449 2.425 -3.424 269 HG2 LYS 43 HG2 LYS 43 5.283 4.340 -3.017 270 HG3 LYS 43 HG1 LYS 43 6.721 4.831 -2.141 271 HD2 LYS 43 HD2 LYS 43 7.608 5.933 -4.138 272 HD3 LYS 43 HD1 LYS 43 6.212 5.393 -5.071 273 HE2 LYS 43 HE2 LYS 43 6.191 7.291 -2.709 274 HE3 LYS 43 HE1 LYS 43 5.828 7.689 -4.388 275 HZ1 LYS 43 HZ1 LYS 43 3.768 7.404 -3.326 276 HZ2 LYS 43 HZ2 LYS 43 4.264 5.984 -2.540 277 HZ3 LYS 43 HZ3 LYS 43 4.006 5.982 -4.219 278 H ILE 44 H ILE 44 9.538 4.997 -1.601 279 HA ILE 44 HA ILE 44 9.227 4.014 1.058 280 HB ILE 44 HB ILE 44 10.822 5.797 0.528 281 HG12 ILE 44 2HG1 ILE 44 10.026 7.475 2.322 282 HG13 ILE 44 1HG1 ILE 44 8.601 6.444 2.470 283 HG21 ILE 44 1HG2 ILE 44 10.109 8.008 -0.097 284 HG22 ILE 44 2HG2 ILE 44 8.414 7.589 0.147 285 HG23 ILE 44 3HG2 ILE 44 9.314 6.877 -1.192 286 HD11 ILE 44 3HD1 ILE 44 11.255 5.092 2.515 287 HD12 ILE 44 1HD1 ILE 44 9.782 4.712 3.408 288 HD13 ILE 44 2HD1 ILE 44 10.815 6.040 3.936 289 H CYS 45 H CYS 45 7.323 3.599 1.974 290 HA CYS 45 HA CYS 45 4.943 5.244 1.285 291 HB2 CYS 45 HB2 CYS 45 3.753 3.452 2.648 292 HB3 CYS 45 HB1 CYS 45 4.498 2.905 1.148 293 H ARG 46 H ARG 46 7.269 4.754 3.757 294 HA ARG 46 HA ARG 46 6.047 6.857 5.374 295 HB2 ARG 46 HB2 ARG 46 5.405 4.163 5.963 296 HB3 ARG 46 HB1 ARG 46 6.558 4.683 7.194 297 HG2 ARG 46 HG2 ARG 46 5.165 6.384 7.973 298 HG3 ARG 46 HG1 ARG 46 4.284 6.497 6.449 299 HD2 ARG 46 HD2 ARG 46 3.119 5.349 8.483 300 HD3 ARG 46 HD1 ARG 46 3.004 4.583 6.899 301 HE ARG 46 HE ARG 46 5.217 3.711 8.667 302 HH11 ARG 46 1HH2 ARG 46 4.303 2.187 6.239 303 HH12 ARG 46 2HH2 ARG 46 3.356 0.922 6.947 304 HH21 ARG 46 1HH1 ARG 46 3.059 2.503 10.019 305 HH22 ARG 46 2HH1 ARG 46 2.653 1.101 9.087 306 H ILE 47 H ILE 47 7.518 6.187 7.766 307 HA ILE 47 HA ILE 47 10.322 6.369 6.739 308 HB ILE 47 HB ILE 47 9.881 7.726 9.296 309 HG12 ILE 47 2HG1 ILE 47 8.862 9.742 7.874 310 HG13 ILE 47 1HG1 ILE 47 8.177 8.419 6.931 311 HG21 ILE 47 1HG2 ILE 47 11.885 7.834 7.749 312 HG22 ILE 47 2HG2 ILE 47 11.259 9.401 8.263 313 HG23 ILE 47 3HG2 ILE 47 10.893 8.792 6.649 314 HD11 ILE 47 3HD1 ILE 47 7.582 9.263 9.716 315 HD12 ILE 47 1HD1 ILE 47 7.627 7.524 9.422 316 HD13 ILE 47 2HD1 ILE 47 6.519 8.545 8.506 317 H ALA 48 H ALA 48 11.941 5.813 8.517 318 HA ALA 48 HA ALA 48 10.895 3.465 10.019 319 HB1 ALA 48 HB1 ALA 48 12.744 2.607 8.993 320 HB2 ALA 48 HB2 ALA 48 13.602 3.361 10.337 321 HB3 ALA 48 HB3 ALA 48 13.486 4.193 8.785 322 H ARG 49 H ARG 49 10.503 3.753 12.152 323 HA ARG 49 HA ARG 49 11.467 6.149 13.528 324 HB2 ARG 49 HB2 ARG 49 10.010 3.775 14.719 325 HB3 ARG 49 HB1 ARG 49 10.107 5.409 15.375 326 HG2 ARG 49 HG2 ARG 49 9.085 5.996 12.957 327 HG3 ARG 49 HG1 ARG 49 8.443 4.362 13.140 328 HD2 ARG 49 HD2 ARG 49 7.997 6.756 14.923 329 HD3 ARG 49 HD1 ARG 49 6.792 5.747 14.121 330 HE ARG 49 HE ARG 49 8.363 4.180 15.963 331 HH11 ARG 49 1HH1 ARG 49 5.303 5.280 15.301 332 HH12 ARG 49 2HH1 ARG 49 4.762 5.352 16.945 333 HH21 ARG 49 1HH2 ARG 49 7.913 4.808 18.284 334 HH22 ARG 49 2HH2 ARG 49 6.240 5.082 18.633 335 H GLY 50 H GLY 50 13.754 5.863 13.630 336 HA2 GLY 50 HA2 GLY 50 15.066 5.021 15.778 337 HA3 GLY 50 HA1 GLY 50 14.746 3.449 15.046 338 H ASP 51 H ASP 51 16.230 2.725 13.592 339 HA ASP 51 HA ASP 51 17.766 4.631 11.951 340 HB2 ASP 51 HB2 ASP 51 18.832 3.502 14.385 341 HB3 ASP 51 HB1 ASP 51 19.736 2.891 12.999 342 H TRP 52 H TRP 52 15.898 2.768 11.104 343 HA TRP 52 HA TRP 52 17.647 0.758 9.754 344 HB2 TRP 52 HB2 TRP 52 15.234 -0.522 9.806 345 HB3 TRP 52 HB1 TRP 52 16.518 -0.799 10.980 346 HD1 TRP 52 HD TRP 52 13.392 1.422 10.519 347 HE1 TRP 52 HE1 TRP 52 12.425 1.947 12.849 348 HE3 TRP 52 HE3 TRP 52 16.922 -0.806 13.460 349 HZ2 TRP 52 HZ2 TRP 52 13.065 1.484 15.599 350 HZ3 TRP 52 HZ3 TRP 52 16.720 -0.748 15.930 351 HH2 TRP 52 HH TRP 52 14.798 0.394 17.001 352 H ASN 53 H ASN 53 16.581 -0.070 7.698 353 HA ASN 53 HA ASN 53 16.026 1.974 5.893 354 HB2 ASN 53 HB2 ASN 53 15.885 -0.892 5.884 355 HB3 ASN 53 HB1 ASN 53 14.456 -0.252 5.072 356 HD21 ASN 53 1HD2 ASN 53 15.306 1.959 3.732 357 HD22 ASN 53 2HD2 ASN 53 16.576 1.595 2.668 358 H ASP 54 H ASP 54 14.150 3.005 5.154 359 HA ASP 54 HA ASP 54 12.004 3.325 7.041 360 HB2 ASP 54 HB2 ASP 54 11.955 4.055 4.101 361 HB3 ASP 54 HB1 ASP 54 11.027 4.797 5.406 362 H ASP 55 H ASP 55 10.017 3.260 4.592 363 HA ASP 55 HA ASP 55 9.601 0.302 4.591 364 HB2 ASP 55 HB2 ASP 55 7.588 2.478 5.198 365 HB3 ASP 55 HB1 ASP 55 7.106 0.853 4.712 366 H ARG 56 H ARG 56 9.739 -0.311 2.496 367 HA ARG 56 HA ARG 56 8.995 1.619 0.369 368 HB2 ARG 56 HB2 ARG 56 10.216 -1.132 0.058 369 HB3 ARG 56 HB1 ARG 56 10.161 0.162 -1.138 370 HG2 ARG 56 HG2 ARG 56 11.372 1.045 1.364 371 HG3 ARG 56 HG1 ARG 56 12.242 -0.315 0.651 372 HD2 ARG 56 HD2 ARG 56 11.914 1.095 -1.581 373 HD3 ARG 56 HD1 ARG 56 11.802 2.436 -0.441 374 HE ARG 56 HE ARG 56 14.080 0.941 0.292 375 HH11 ARG 56 1HH2 ARG 56 12.922 3.304 -1.883 376 HH12 ARG 56 2HH2 ARG 56 14.454 3.566 -2.648 377 HH21 ARG 56 1HH1 ARG 56 16.059 1.035 -0.908 378 HH22 ARG 56 2HH1 ARG 56 16.228 2.284 -2.097 379 H CYS 57 H CYS 57 7.199 1.381 -0.863 380 HA CYS 57 HA CYS 57 5.138 -0.475 -0.093 381 HB2 CYS 57 HB2 CYS 57 5.495 1.664 -2.082 382 HB3 CYS 57 HB1 CYS 57 4.440 0.364 -2.621 383 H THR 58 H THR 58 4.227 -2.142 -1.538 384 HA THR 58 HA THR 58 6.369 -3.723 -2.785 385 HB THR 58 HB THR 58 3.815 -4.942 -3.118 386 HG1 THR 58 HG1 THR 58 2.925 -4.736 -1.163 387 HG21 THR 58 3HG2 THR 58 6.085 -5.422 -1.169 388 HG22 THR 58 1HG2 THR 58 5.917 -6.138 -2.772 389 HG23 THR 58 2HG2 THR 58 4.779 -6.562 -1.493 390 H GLY 59 H GLY 59 4.258 -1.343 -3.819 391 HA2 GLY 59 HA2 GLY 59 3.915 -0.570 -6.035 392 HA3 GLY 59 HA1 GLY 59 4.781 -1.989 -6.625 393 H GLN 60 H GLN 60 3.362 -4.090 -5.687 394 HA GLN 60 HA GLN 60 0.831 -3.855 -7.175 395 HB2 GLN 60 HB2 GLN 60 2.244 -6.215 -5.892 396 HB3 GLN 60 HB1 GLN 60 0.713 -6.337 -6.757 397 HG2 GLN 60 HG2 GLN 60 1.886 -6.553 -8.665 398 HG3 GLN 60 HG1 GLN 60 2.419 -4.884 -8.462 399 HE21 GLN 60 1HE2 GLN 60 4.146 -6.823 -9.657 400 HE22 GLN 60 2HE2 GLN 60 5.445 -7.113 -8.604 401 H SER 61 H SER 61 1.569 -2.872 -4.246 402 HA SER 61 HA SER 61 -1.054 -3.746 -3.125 403 HB2 SER 61 HB2 SER 61 1.294 -4.807 -2.195 404 HB3 SER 61 HB1 SER 61 1.094 -3.421 -1.130 405 HG SER 61 HG SER 61 -0.248 -4.704 -0.132 406 H ALA 62 H ALA 62 -2.103 -1.790 -3.160 407 HA ALA 62 HA ALA 62 -0.918 0.779 -2.893 408 HB1 ALA 62 HB1 ALA 62 -3.371 1.243 -1.890 409 HB2 ALA 62 HB2 ALA 62 -3.666 -0.346 -2.594 410 HB3 ALA 62 HB3 ALA 62 -3.101 0.978 -3.612 411 H ASP 63 H ASP 63 -2.095 -1.513 -0.475 412 HA ASP 63 HA ASP 63 -1.672 0.356 1.736 413 HB2 ASP 63 HB2 ASP 63 -2.587 -2.461 1.423 414 HB3 ASP 63 HB1 ASP 63 -1.862 -2.029 2.972 415 H CYS 64 H CYS 64 0.440 0.935 1.983 416 HA CYS 64 HA CYS 64 2.728 -0.502 1.313 417 HB2 CYS 64 HB2 CYS 64 3.090 1.720 1.932 418 HB3 CYS 64 HB1 CYS 64 2.170 1.573 3.420 419 HA PRO 65 HA PRO 65 2.672 -3.864 4.142 420 HB2 PRO 65 HB2 PRO 65 5.068 -4.879 3.293 421 HB3 PRO 65 HB1 PRO 65 3.561 -5.111 2.407 422 HG2 PRO 65 HG2 PRO 65 5.879 -3.362 1.776 423 HG3 PRO 65 HG1 PRO 65 4.661 -4.050 0.688 424 HD2 PRO 65 HD2 PRO 65 4.734 -1.386 1.644 425 HD3 PRO 65 HD1 PRO 65 3.382 -2.167 0.801 426 H ARG 66 H ARG 66 4.985 -4.902 5.293 427 HA ARG 66 HA ARG 66 6.043 -2.561 6.829 428 HB2 ARG 66 HB2 ARG 66 6.362 -4.123 8.708 429 HB3 ARG 66 HB1 ARG 66 4.677 -4.112 8.188 430 HG2 ARG 66 HG2 ARG 66 4.900 -6.371 8.107 431 HG3 ARG 66 HG1 ARG 66 5.739 -6.072 6.585 432 HD2 ARG 66 HD2 ARG 66 7.826 -5.713 8.171 433 HD3 ARG 66 HD1 ARG 66 6.879 -6.701 9.285 434 HE ARG 66 HE ARG 66 8.381 -7.830 7.274 435 HH11 ARG 66 1HH2 ARG 66 6.119 -9.107 9.020 436 HH12 ARG 66 2HH2 ARG 66 5.213 -9.910 7.781 437 HH21 ARG 66 1HH1 ARG 66 6.740 -8.189 5.184 438 HH22 ARG 66 2HH1 ARG 66 5.566 -9.390 5.608 439 H ASN 67 H ASN 67 8.162 -2.154 6.433 440 HA ASN 67 HA ASN 67 9.882 -4.455 5.590 441 HB2 ASN 67 HB2 ASN 67 9.555 -1.723 4.500 442 HB3 ASN 67 HB1 ASN 67 11.225 -2.265 4.671 443 HD21 ASN 67 1HD2 ASN 67 8.169 -2.908 3.006 444 HD22 ASN 67 2HD2 ASN 67 8.808 -4.013 1.885 445 H GLY 68 H GLY 68 9.450 -1.782 7.760 446 HA2 GLY 68 HA2 GLY 68 12.192 -1.556 8.634 447 HA3 GLY 68 HA1 GLY 68 10.784 -0.975 9.522 448 H LEU 69 H LEU 69 12.976 -2.275 10.784 449 HA LEU 69 HA LEU 69 11.719 -4.869 11.592 450 HB2 LEU 69 HB2 LEU 69 13.992 -5.618 12.212 451 HB3 LEU 69 HB1 LEU 69 13.911 -5.182 10.504 452 HG LEU 69 HG LEU 69 14.529 -2.807 11.929 453 HD11 LEU 69 1HD1 LEU 69 15.886 -5.272 12.954 454 HD12 LEU 69 2HD1 LEU 69 15.424 -3.807 13.820 455 HD13 LEU 69 3HD1 LEU 69 16.842 -3.801 12.772 456 HD21 LEU 69 3HD2 LEU 69 15.853 -2.659 10.112 457 HD22 LEU 69 1HD2 LEU 69 15.401 -4.311 9.691 458 HD23 LEU 69 2HD2 LEU 69 16.832 -4.014 10.679 459 H TYR 70 H TYR 70 11.114 -4.998 13.712 460 HA TYR 70 HA TYR 70 12.395 -3.157 15.670 461 HB2 TYR 70 HB2 TYR 70 9.398 -3.559 15.540 462 HB3 TYR 70 HB1 TYR 70 10.287 -2.411 16.540 463 HD1 TYR 70 HD2 TYR 70 9.602 -3.323 12.980 464 HD2 TYR 70 HD1 TYR 70 10.763 -0.246 15.744 465 HE1 TYR 70 HE2 TYR 70 9.479 -1.643 11.160 466 HE2 TYR 70 HE1 TYR 70 10.640 1.434 13.924 467 HH TYR 70 HH TYR 70 10.848 0.993 10.999 468 H GLY 71 H GLY 71 10.091 -5.852 15.234 469 HA2 GLY 71 HA2 GLY 71 11.363 -7.778 16.736 470 HA3 GLY 71 HA1 GLY 71 10.525 -6.815 17.954 Start of MODEL 3 1 H GLY 1 HT1 GLY 1 -16.534 -7.337 5.744 2 HA2 GLY 1 HA1 GLY 1 -17.595 -9.264 4.751 3 HA3 GLY 1 HA2 GLY 1 -18.715 -8.187 3.916 4 H LYS 2 H LYS 2 -17.883 -8.994 1.870 5 HA LYS 2 HA LYS 2 -15.138 -7.997 1.228 6 HB2 LYS 2 HB2 LYS 2 -15.519 -9.640 -0.798 7 HB3 LYS 2 HB1 LYS 2 -15.032 -10.281 0.772 8 HG2 LYS 2 HG2 LYS 2 -17.394 -10.739 1.322 9 HG3 LYS 2 HG1 LYS 2 -17.883 -10.103 -0.251 10 HD2 LYS 2 HD2 LYS 2 -15.863 -11.981 -0.804 11 HD3 LYS 2 HD1 LYS 2 -16.887 -12.741 0.416 12 HE2 LYS 2 HE2 LYS 2 -18.269 -11.316 -1.805 13 HE3 LYS 2 HE1 LYS 2 -17.473 -12.839 -2.205 14 HZ1 LYS 2 HZ1 LYS 2 -19.853 -12.988 -1.437 15 HZ2 LYS 2 HZ2 LYS 2 -19.298 -12.560 0.110 16 HZ3 LYS 2 HZ3 LYS 2 -18.750 -13.989 -0.627 17 H GLU 3 H GLU 3 -17.011 -6.051 1.182 18 HA GLU 3 HA GLU 3 -17.343 -5.577 -1.733 19 HB2 GLU 3 HB2 GLU 3 -19.498 -6.350 -0.216 20 HB3 GLU 3 HB1 GLU 3 -19.589 -4.593 -0.095 21 HG2 GLU 3 HG2 GLU 3 -19.284 -4.552 -2.638 22 HG3 GLU 3 HG1 GLU 3 -19.605 -6.287 -2.597 23 H CYS 4 H CYS 4 -15.597 -4.575 0.539 24 HA CYS 4 HA CYS 4 -16.223 -1.683 0.143 25 HB2 CYS 4 HB2 CYS 4 -15.796 -3.187 2.659 26 HB3 CYS 4 HB1 CYS 4 -14.943 -1.650 2.539 27 H ASP 5 H ASP 5 -14.611 -1.125 -1.293 28 HA ASP 5 HA ASP 5 -11.900 -2.239 -0.955 29 HB2 ASP 5 HB2 ASP 5 -13.404 -1.126 -3.122 30 HB3 ASP 5 HB1 ASP 5 -11.952 -0.148 -2.903 31 H CYS 6 H CYS 6 -13.498 0.022 0.685 32 HA CYS 6 HA CYS 6 -11.031 1.493 1.341 33 HB2 CYS 6 HB2 CYS 6 -12.056 3.703 1.031 34 HB3 CYS 6 HB1 CYS 6 -12.047 2.823 -0.498 35 H SER 7 H SER 7 -11.214 2.567 3.419 36 HA SER 7 HA SER 7 -13.301 1.337 5.117 37 HB2 SER 7 HB2 SER 7 -11.899 2.460 6.961 38 HB3 SER 7 HB1 SER 7 -11.135 1.151 6.064 39 HG SER 7 HG SER 7 -10.332 3.661 6.317 40 H SER 8 H SER 8 -12.441 4.435 3.760 41 HA SER 8 HA SER 8 -14.311 5.853 5.560 42 HB2 SER 8 HB2 SER 8 -12.785 7.013 3.223 43 HB3 SER 8 HB1 SER 8 -13.475 7.875 4.596 44 HG SER 8 HG SER 8 -11.222 6.181 4.476 45 HA PRO 9 HA PRO 9 -17.492 5.260 2.480 46 HB2 PRO 9 HB2 PRO 9 -19.470 6.508 3.928 47 HB3 PRO 9 HB1 PRO 9 -18.946 4.841 4.222 48 HG2 PRO 9 HG2 PRO 9 -18.382 7.294 5.819 49 HG3 PRO 9 HG1 PRO 9 -18.436 5.603 6.343 50 HD2 PRO 9 HD2 PRO 9 -16.094 7.113 5.836 51 HD3 PRO 9 HD1 PRO 9 -16.178 5.351 6.046 52 H GLU 10 H GLU 10 -15.984 8.099 3.470 53 HA GLU 10 HA GLU 10 -17.676 9.829 1.734 54 HB2 GLU 10 HB2 GLU 10 -16.872 10.452 4.157 55 HB3 GLU 10 HB1 GLU 10 -15.345 10.824 3.355 56 HG2 GLU 10 HG2 GLU 10 -16.996 12.098 1.671 57 HG3 GLU 10 HG1 GLU 10 -17.988 12.185 3.127 58 H ASN 11 H ASN 11 -15.114 7.815 1.384 59 HA ASN 11 HA ASN 11 -13.272 9.485 -0.101 60 HB2 ASN 11 HB2 ASN 11 -12.931 7.125 1.028 61 HB3 ASN 11 HB1 ASN 11 -13.490 6.523 -0.533 62 HD21 ASN 11 1HD2 ASN 11 -10.709 7.488 1.135 63 HD22 ASN 11 2HD2 ASN 11 -9.703 7.782 -0.200 64 HA PRO 12 HA PRO 12 -15.682 9.515 -3.828 65 HB2 PRO 12 HB2 PRO 12 -13.795 10.769 -5.386 66 HB3 PRO 12 HB1 PRO 12 -14.816 11.616 -4.211 67 HG2 PRO 12 HG2 PRO 12 -11.927 10.909 -4.017 68 HG3 PRO 12 HG1 PRO 12 -12.816 12.224 -3.231 69 HD2 PRO 12 HD2 PRO 12 -12.036 9.787 -2.015 70 HD3 PRO 12 HD1 PRO 12 -13.187 10.967 -1.353 71 H CYS 13 H CYS 13 -12.316 8.364 -3.793 72 HA CYS 13 HA CYS 13 -12.235 7.132 -6.330 73 HB2 CYS 13 HB2 CYS 13 -10.429 7.375 -4.394 74 HB3 CYS 13 HB1 CYS 13 -10.966 5.740 -4.007 75 H CYS 14 H CYS 14 -13.507 5.879 -3.244 76 HA CYS 14 HA CYS 14 -14.470 3.480 -4.733 77 HB2 CYS 14 HB2 CYS 14 -14.730 2.402 -2.580 78 HB3 CYS 14 HB1 CYS 14 -13.122 3.122 -2.642 79 H ASP 15 H ASP 15 -16.536 3.503 -5.358 80 HA ASP 15 HA ASP 15 -18.404 5.531 -4.873 81 HB2 ASP 15 HB2 ASP 15 -18.408 3.387 -6.461 82 HB3 ASP 15 HB1 ASP 15 -19.408 2.733 -5.167 83 H ALA 16 H ALA 16 -19.976 5.874 -3.296 84 HA ALA 16 HA ALA 16 -19.546 4.532 -0.731 85 HB1 ALA 16 HB1 ALA 16 -20.614 7.019 -1.595 86 HB2 ALA 16 HB2 ALA 16 -20.374 6.470 0.063 87 HB3 ALA 16 HB3 ALA 16 -21.910 6.173 -0.751 88 H ALA 17 H ALA 17 -22.021 4.573 -3.265 89 HA ALA 17 HA ALA 17 -24.026 3.090 -1.896 90 HB1 ALA 17 HB1 ALA 17 -23.940 4.223 -4.319 91 HB2 ALA 17 HB2 ALA 17 -25.071 2.921 -3.949 92 HB3 ALA 17 HB3 ALA 17 -23.568 2.568 -4.803 93 H THR 18 H THR 18 -21.141 2.057 -3.664 94 HA THR 18 HA THR 18 -21.748 -0.759 -2.880 95 HB THR 18 HB THR 18 -19.915 -1.284 -4.583 96 HG1 THR 18 HG1 THR 18 -20.018 0.695 -6.135 97 HG21 THR 18 3HG2 THR 18 -22.591 -1.036 -4.866 98 HG22 THR 18 1HG2 THR 18 -21.527 -1.522 -6.186 99 HG23 THR 18 2HG2 THR 18 -22.054 0.155 -6.049 100 H CYS 19 H CYS 19 -19.784 1.926 -2.159 101 HA CYS 19 HA CYS 19 -17.999 2.173 -0.652 102 HB2 CYS 19 HB2 CYS 19 -19.416 0.749 0.797 103 HB3 CYS 19 HB1 CYS 19 -18.726 -0.690 0.052 104 H LYS 20 H LYS 20 -17.639 1.026 -3.426 105 HA LYS 20 HA LYS 20 -14.932 -0.120 -2.919 106 HB2 LYS 20 HB2 LYS 20 -17.042 -1.206 -4.792 107 HB3 LYS 20 HB1 LYS 20 -15.340 -1.661 -4.890 108 HG2 LYS 20 HG2 LYS 20 -16.467 -1.826 -2.177 109 HG3 LYS 20 HG1 LYS 20 -17.212 -2.933 -3.332 110 HD2 LYS 20 HD2 LYS 20 -14.306 -2.834 -3.612 111 HD3 LYS 20 HD1 LYS 20 -14.804 -3.354 -2.002 112 HE2 LYS 20 HE2 LYS 20 -15.572 -5.339 -2.770 113 HE3 LYS 20 HE1 LYS 20 -16.398 -4.581 -4.132 114 HZ1 LYS 20 HZ1 LYS 20 -14.281 -4.429 -5.285 115 HZ2 LYS 20 HZ2 LYS 20 -14.625 -6.042 -4.876 116 HZ3 LYS 20 HZ3 LYS 20 -13.488 -5.157 -3.974 117 H LEU 21 H LEU 21 -13.647 -0.135 -5.075 118 HA LEU 21 HA LEU 21 -13.462 2.531 -6.054 119 HB2 LEU 21 HB2 LEU 21 -12.400 -0.111 -7.062 120 HB3 LEU 21 HB1 LEU 21 -12.082 1.400 -7.916 121 HG LEU 21 HG LEU 21 -11.612 1.533 -5.010 122 HD11 LEU 21 1HD1 LEU 21 -10.853 -0.834 -5.920 123 HD12 LEU 21 2HD1 LEU 21 -9.796 0.092 -4.855 124 HD13 LEU 21 3HD1 LEU 21 -9.515 0.093 -6.596 125 HD21 LEU 21 3HD2 LEU 21 -10.820 3.393 -6.143 126 HD22 LEU 21 1HD2 LEU 21 -10.391 2.462 -7.578 127 HD23 LEU 21 2HD2 LEU 21 -9.361 2.401 -6.146 128 H ARG 22 H ARG 22 -15.022 3.509 -7.260 129 HA ARG 22 HA ARG 22 -16.903 1.981 -8.859 130 HB2 ARG 22 HB2 ARG 22 -16.952 4.474 -7.708 131 HB3 ARG 22 HB1 ARG 22 -16.716 4.864 -9.412 132 HG2 ARG 22 HG2 ARG 22 -18.632 3.331 -9.959 133 HG3 ARG 22 HG1 ARG 22 -18.927 3.166 -8.228 134 HD2 ARG 22 HD2 ARG 22 -19.332 5.549 -8.012 135 HD3 ARG 22 HD1 ARG 22 -18.871 5.820 -9.692 136 HE ARG 22 HE ARG 22 -20.971 3.978 -9.800 137 HH11 ARG 22 1HH1 ARG 22 -20.923 6.886 -10.828 138 HH12 ARG 22 2HH1 ARG 22 -22.322 7.525 -10.032 139 HH21 ARG 22 1HH2 ARG 22 -22.565 4.901 -7.777 140 HH22 ARG 22 2HH2 ARG 22 -23.253 6.401 -8.304 141 HA PRO 23 HA PRO 23 -14.466 3.893 -12.488 142 HB2 PRO 23 HB2 PRO 23 -12.127 5.213 -11.895 143 HB3 PRO 23 HB1 PRO 23 -13.708 6.009 -11.982 144 HG2 PRO 23 HG2 PRO 23 -12.091 5.307 -9.581 145 HG3 PRO 23 HG1 PRO 23 -13.308 6.578 -9.779 146 HD2 PRO 23 HD2 PRO 23 -13.691 4.081 -8.491 147 HD3 PRO 23 HD1 PRO 23 -14.966 5.229 -8.951 148 H GLY 24 H GLY 24 -11.840 3.695 -13.259 149 HA2 GLY 24 HA2 GLY 24 -11.233 0.881 -12.615 150 HA3 GLY 24 HA1 GLY 24 -10.485 1.833 -13.896 151 H ALA 25 H ALA 25 -10.794 2.744 -10.480 152 HA ALA 25 HA ALA 25 -7.888 3.229 -10.389 153 HB1 ALA 25 HB1 ALA 25 -8.739 3.809 -7.884 154 HB2 ALA 25 HB2 ALA 25 -10.257 3.991 -8.764 155 HB3 ALA 25 HB3 ALA 25 -8.851 4.952 -9.224 156 H GLN 26 H GLN 26 -6.435 2.029 -9.118 157 HA GLN 26 HA GLN 26 -7.310 -0.664 -8.403 158 HB2 GLN 26 HB2 GLN 26 -4.814 0.677 -8.926 159 HB3 GLN 26 HB1 GLN 26 -4.708 -0.192 -7.394 160 HG2 GLN 26 HG2 GLN 26 -4.240 -1.980 -8.729 161 HG3 GLN 26 HG1 GLN 26 -5.992 -2.042 -8.922 162 HE21 GLN 26 1HE2 GLN 26 -6.475 -2.338 -11.102 163 HE22 GLN 26 2HE2 GLN 26 -5.680 -1.567 -12.389 164 H CYS 27 H CYS 27 -6.958 2.350 -6.726 165 HA CYS 27 HA CYS 27 -7.903 1.072 -4.269 166 HB2 CYS 27 HB2 CYS 27 -5.797 0.682 -3.502 167 HB3 CYS 27 HB1 CYS 27 -5.064 1.781 -4.662 168 H GLY 28 H GLY 28 -8.606 2.621 -2.691 169 HA2 GLY 28 HA2 GLY 28 -9.062 5.333 -3.846 170 HA3 GLY 28 HA1 GLY 28 -10.120 4.561 -2.667 171 H GLU 29 H GLU 29 -7.679 3.529 -1.236 172 HA GLU 29 HA GLU 29 -6.462 6.017 -0.215 173 HB2 GLU 29 HB2 GLU 29 -7.259 5.837 1.968 174 HB3 GLU 29 HB1 GLU 29 -8.675 5.381 1.031 175 HG2 GLU 29 HG2 GLU 29 -8.680 3.577 2.438 176 HG3 GLU 29 HG1 GLU 29 -7.497 2.955 1.287 177 H GLY 30 H GLY 30 -4.409 5.655 0.637 178 HA2 GLY 30 HA2 GLY 30 -3.230 3.482 1.795 179 HA3 GLY 30 HA1 GLY 30 -3.229 3.022 0.089 180 H LEU 31 H LEU 31 -0.852 3.612 1.736 181 HA LEU 31 HA LEU 31 0.074 6.276 1.052 182 HB2 LEU 31 HB2 LEU 31 1.192 3.861 2.353 183 HB3 LEU 31 HB1 LEU 31 2.354 4.884 1.527 184 HG LEU 31 HG LEU 31 1.738 6.799 2.824 185 HD11 LEU 31 1HD1 LEU 31 -0.119 6.608 4.525 186 HD12 LEU 31 2HD1 LEU 31 -0.552 5.065 3.787 187 HD13 LEU 31 3HD1 LEU 31 -0.664 6.554 2.848 188 HD21 LEU 31 3HD2 LEU 31 3.113 5.851 4.359 189 HD22 LEU 31 1HD2 LEU 31 2.381 4.260 4.149 190 HD23 LEU 31 2HD2 LEU 31 1.638 5.435 5.233 191 H CYS 32 H CYS 32 0.184 3.120 -0.458 192 HA CYS 32 HA CYS 32 2.019 4.123 -2.564 193 HB2 CYS 32 HB2 CYS 32 2.363 1.855 -1.548 194 HB3 CYS 32 HB1 CYS 32 0.809 1.364 -2.218 195 H CYS 33 H CYS 33 -0.873 4.969 -2.193 196 HA CYS 33 HA CYS 33 -2.021 3.920 -4.734 197 HB2 CYS 33 HB2 CYS 33 -3.287 5.525 -2.495 198 HB3 CYS 33 HB1 CYS 33 -4.129 4.989 -3.948 199 H GLU 34 H GLU 34 -0.624 5.213 -6.106 200 HA GLU 34 HA GLU 34 -0.880 8.149 -5.893 201 HB2 GLU 34 HB2 GLU 34 0.599 6.526 -7.988 202 HB3 GLU 34 HB1 GLU 34 0.797 8.243 -7.636 203 HG2 GLU 34 HG2 GLU 34 1.181 6.367 -5.358 204 HG3 GLU 34 HG1 GLU 34 2.428 6.361 -6.605 205 H GLN 35 H GLN 35 -2.521 9.144 -6.956 206 HA GLN 35 HA GLN 35 -4.209 9.526 -8.530 207 HB2 GLN 35 HB2 GLN 35 -2.640 7.512 -10.171 208 HB3 GLN 35 HB1 GLN 35 -3.929 8.545 -10.785 209 HG2 GLN 35 HG2 GLN 35 -1.841 10.017 -9.332 210 HG3 GLN 35 HG1 GLN 35 -1.253 9.203 -10.781 211 HE21 GLN 35 1HE2 GLN 35 -2.445 9.699 -12.854 212 HE22 GLN 35 2HE2 GLN 35 -3.222 11.201 -13.016 213 H CYS 36 H CYS 36 -4.412 7.480 -6.465 214 HA CYS 36 HA CYS 36 -5.968 5.857 -5.807 215 HB2 CYS 36 HB2 CYS 36 -7.137 6.961 -8.305 216 HB3 CYS 36 HB1 CYS 36 -7.705 5.370 -7.811 217 H LYS 37 H LYS 37 -3.599 5.430 -7.903 218 HA LYS 37 HA LYS 37 -4.391 2.623 -8.565 219 HB2 LYS 37 HB2 LYS 37 -2.454 4.507 -9.936 220 HB3 LYS 37 HB1 LYS 37 -2.591 2.793 -10.330 221 HG2 LYS 37 HG2 LYS 37 -4.835 3.034 -11.082 222 HG3 LYS 37 HG1 LYS 37 -4.990 4.630 -10.347 223 HD2 LYS 37 HD2 LYS 37 -4.679 5.004 -12.691 224 HD3 LYS 37 HD1 LYS 37 -3.142 5.400 -11.922 225 HE2 LYS 37 HE2 LYS 37 -2.496 4.050 -13.739 226 HE3 LYS 37 HE1 LYS 37 -2.525 2.918 -12.387 227 HZ1 LYS 37 HZ1 LYS 37 -4.580 3.294 -14.485 228 HZ2 LYS 37 HZ2 LYS 37 -4.880 2.430 -13.053 229 HZ3 LYS 37 HZ3 LYS 37 -3.688 1.894 -14.140 230 H PHE 38 H PHE 38 -2.444 1.102 -8.596 231 HA PHE 38 HA PHE 38 -1.030 1.354 -6.054 232 HB2 PHE 38 HB2 PHE 38 -1.078 -0.696 -8.263 233 HB3 PHE 38 HB1 PHE 38 0.119 -0.792 -6.977 234 HD1 PHE 38 HD2 PHE 38 -2.755 0.780 -5.675 235 HD2 PHE 38 HD1 PHE 38 -1.243 -3.082 -6.792 236 HE1 PHE 38 HE2 PHE 38 -4.419 -0.304 -4.195 237 HE2 PHE 38 HE1 PHE 38 -2.910 -4.164 -5.311 238 HZ PHE 38 HZ PHE 38 -4.500 -2.774 -4.012 239 H SER 39 H SER 39 0.756 2.653 -5.918 240 HA SER 39 HA SER 39 2.250 3.572 -8.170 241 HB2 SER 39 HB2 SER 39 3.668 3.268 -5.567 242 HB3 SER 39 HB1 SER 39 3.571 4.666 -6.633 243 HG SER 39 HG SER 39 2.111 4.091 -4.466 244 H ARG 40 H ARG 40 4.923 2.968 -7.759 245 HA ARG 40 HA ARG 40 4.939 0.113 -8.540 246 HB2 ARG 40 HB2 ARG 40 6.479 2.429 -9.247 247 HB3 ARG 40 HB1 ARG 40 7.568 1.213 -8.578 248 HG2 ARG 40 HG2 ARG 40 7.488 0.156 -10.564 249 HG3 ARG 40 HG1 ARG 40 5.795 -0.212 -10.231 250 HD2 ARG 40 HD2 ARG 40 6.831 2.285 -11.606 251 HD3 ARG 40 HD1 ARG 40 6.000 0.941 -12.390 252 HE ARG 40 HE ARG 40 4.692 2.701 -10.351 253 HH11 ARG 40 1HH2 ARG 40 4.722 2.247 -13.607 254 HH12 ARG 40 2HH2 ARG 40 3.049 1.829 -13.775 255 HH21 ARG 40 1HH1 ARG 40 2.513 1.506 -10.366 256 HH22 ARG 40 2HH1 ARG 40 1.799 1.409 -11.942 257 H ALA 41 H ALA 41 6.659 -1.303 -7.607 258 HA ALA 41 HA ALA 41 6.630 -1.214 -4.722 259 HB1 ALA 41 HB1 ALA 41 7.652 -3.306 -4.809 260 HB2 ALA 41 HB2 ALA 41 8.591 -2.899 -6.244 261 HB3 ALA 41 HB3 ALA 41 6.872 -3.253 -6.389 262 H GLY 42 H GLY 42 8.736 -1.355 -3.447 263 HA2 GLY 42 HA2 GLY 42 10.808 -0.420 -2.834 264 HA3 GLY 42 HA1 GLY 42 11.122 -0.152 -4.549 265 H LYS 43 H LYS 43 8.169 1.035 -3.137 266 HA LYS 43 HA LYS 43 9.201 3.815 -3.564 267 HB2 LYS 43 HB2 LYS 43 7.257 3.504 -4.866 268 HB3 LYS 43 HB1 LYS 43 6.439 2.613 -3.589 269 HG2 LYS 43 HG2 LYS 43 5.581 4.505 -2.725 270 HG3 LYS 43 HG1 LYS 43 7.174 5.257 -2.664 271 HD2 LYS 43 HD2 LYS 43 6.366 5.122 -5.403 272 HD3 LYS 43 HD1 LYS 43 5.035 5.812 -4.475 273 HE2 LYS 43 HE2 LYS 43 6.301 7.630 -3.752 274 HE3 LYS 43 HE1 LYS 43 7.832 6.782 -3.974 275 HZ1 LYS 43 HZ1 LYS 43 6.097 7.401 -6.279 276 HZ2 LYS 43 HZ2 LYS 43 7.768 7.089 -6.254 277 HZ3 LYS 43 HZ3 LYS 43 7.166 8.567 -5.668 278 H ILE 44 H ILE 44 9.940 4.721 -1.722 279 HA ILE 44 HA ILE 44 9.333 3.877 0.925 280 HB ILE 44 HB ILE 44 11.304 5.215 0.476 281 HG12 ILE 44 2HG1 ILE 44 10.699 7.265 2.046 282 HG13 ILE 44 1HG1 ILE 44 9.198 6.372 2.277 283 HG21 ILE 44 1HG2 ILE 44 9.782 6.556 -1.308 284 HG22 ILE 44 2HG2 ILE 44 11.297 7.196 -0.670 285 HG23 ILE 44 3HG2 ILE 44 9.759 7.710 0.025 286 HD11 ILE 44 3HD1 ILE 44 11.241 4.451 2.471 287 HD12 ILE 44 1HD1 ILE 44 10.268 5.102 3.791 288 HD13 ILE 44 2HD1 ILE 44 11.816 5.844 3.387 289 H CYS 45 H CYS 45 7.412 3.977 1.902 290 HA CYS 45 HA CYS 45 5.545 6.185 1.188 291 HB2 CYS 45 HB2 CYS 45 5.148 3.433 2.346 292 HB3 CYS 45 HB1 CYS 45 3.897 4.667 2.465 293 H ARG 46 H ARG 46 7.697 5.115 3.585 294 HA ARG 46 HA ARG 46 6.931 7.316 5.327 295 HB2 ARG 46 HB2 ARG 46 6.139 4.535 5.936 296 HB3 ARG 46 HB1 ARG 46 6.951 5.379 7.256 297 HG2 ARG 46 HG2 ARG 46 5.108 7.208 6.087 298 HG3 ARG 46 HG1 ARG 46 4.250 5.689 6.347 299 HD2 ARG 46 HD2 ARG 46 4.409 5.833 8.622 300 HD3 ARG 46 HD1 ARG 46 6.016 6.557 8.564 301 HE ARG 46 HE ARG 46 5.003 8.711 8.439 302 HH11 ARG 46 1HH1 ARG 46 2.758 6.517 7.184 303 HH12 ARG 46 2HH1 ARG 46 1.362 7.349 7.782 304 HH21 ARG 46 1HH2 ARG 46 3.195 9.637 9.637 305 HH22 ARG 46 2HH2 ARG 46 1.610 9.117 9.172 306 H ILE 47 H ILE 47 8.853 8.155 5.893 307 HA ILE 47 HA ILE 47 11.355 6.906 5.488 308 HB ILE 47 HB ILE 47 10.909 9.379 5.852 309 HG12 ILE 47 2HG1 ILE 47 13.029 9.057 7.754 310 HG13 ILE 47 1HG1 ILE 47 13.151 7.762 6.563 311 HG21 ILE 47 1HG2 ILE 47 10.938 8.498 8.755 312 HG22 ILE 47 2HG2 ILE 47 9.529 9.107 7.888 313 HG23 ILE 47 3HG2 ILE 47 10.908 10.166 8.184 314 HD11 ILE 47 3HD1 ILE 47 13.159 9.347 4.739 315 HD12 ILE 47 1HD1 ILE 47 14.373 9.865 5.910 316 HD13 ILE 47 2HD1 ILE 47 12.812 10.683 5.838 317 H ALA 48 H ALA 48 12.742 5.755 6.871 318 HA ALA 48 HA ALA 48 11.479 4.217 8.974 319 HB1 ALA 48 HB1 ALA 48 13.469 3.526 7.476 320 HB2 ALA 48 HB2 ALA 48 13.561 3.097 9.185 321 HB3 ALA 48 HB3 ALA 48 14.462 4.485 8.575 322 H ARG 49 H ARG 49 11.314 4.760 11.110 323 HA ARG 49 HA ARG 49 12.230 7.340 12.033 324 HB2 ARG 49 HB2 ARG 49 11.310 5.005 13.732 325 HB3 ARG 49 HB1 ARG 49 11.280 6.715 14.164 326 HG2 ARG 49 HG2 ARG 49 9.742 5.533 11.836 327 HG3 ARG 49 HG1 ARG 49 9.046 5.826 13.430 328 HD2 ARG 49 HD2 ARG 49 9.595 8.220 13.237 329 HD3 ARG 49 HD1 ARG 49 10.304 7.933 11.647 330 HE ARG 49 HE ARG 49 7.667 6.940 11.542 331 HH11 ARG 49 1HH2 ARG 49 9.393 9.900 11.960 332 HH12 ARG 49 2HH2 ARG 49 8.103 10.888 11.362 333 HH21 ARG 49 1HH1 ARG 49 5.957 8.219 10.806 334 HH22 ARG 49 2HH1 ARG 49 6.159 9.937 10.708 335 H GLY 50 H GLY 50 14.546 6.657 11.246 336 HA2 GLY 50 HA2 GLY 50 16.463 6.770 13.086 337 HA3 GLY 50 HA1 GLY 50 15.984 5.088 13.310 338 H ASP 51 H ASP 51 17.641 3.926 12.398 339 HA ASP 51 HA ASP 51 18.670 4.808 9.752 340 HB2 ASP 51 HB2 ASP 51 19.828 3.404 12.063 341 HB3 ASP 51 HB1 ASP 51 20.299 2.748 10.495 342 H TRP 52 H TRP 52 17.474 1.879 11.373 343 HA TRP 52 HA TRP 52 17.716 -0.057 9.468 344 HB2 TRP 52 HB2 TRP 52 15.223 -0.671 10.119 345 HB3 TRP 52 HB1 TRP 52 16.527 -0.819 11.294 346 HD1 TRP 52 HD TRP 52 13.510 1.324 10.404 347 HE1 TRP 52 HE1 TRP 52 12.963 2.860 12.401 348 HE3 TRP 52 HE3 TRP 52 17.569 0.406 13.356 349 HZ2 TRP 52 HZ2 TRP 52 14.097 3.596 14.923 350 HZ3 TRP 52 HZ3 TRP 52 17.813 1.535 15.548 351 HH2 TRP 52 HH TRP 52 16.084 3.129 16.333 352 H ASN 53 H ASN 53 16.237 -0.875 7.783 353 HA ASN 53 HA ASN 53 15.829 0.873 5.663 354 HB2 ASN 53 HB2 ASN 53 15.613 -1.723 5.788 355 HB3 ASN 53 HB1 ASN 53 13.912 -1.401 6.121 356 HD21 ASN 53 1HD2 ASN 53 16.206 -1.735 3.604 357 HD22 ASN 53 2HD2 ASN 53 15.259 -1.108 2.342 358 H ASP 54 H ASP 54 13.474 1.215 4.682 359 HA ASP 54 HA ASP 54 11.812 2.477 6.829 360 HB2 ASP 54 HB2 ASP 54 11.737 3.409 3.979 361 HB3 ASP 54 HB1 ASP 54 11.440 4.324 5.458 362 H ASP 55 H ASP 55 9.904 3.046 4.421 363 HA ASP 55 HA ASP 55 8.780 0.278 4.247 364 HB2 ASP 55 HB2 ASP 55 7.089 2.781 4.343 365 HB3 ASP 55 HB1 ASP 55 6.583 1.110 4.597 366 H ARG 56 H ARG 56 9.265 -0.224 2.130 367 HA ARG 56 HA ARG 56 8.759 1.843 0.052 368 HB2 ARG 56 HB2 ARG 56 10.126 -0.833 -0.277 369 HB3 ARG 56 HB1 ARG 56 10.131 0.518 -1.410 370 HG2 ARG 56 HG2 ARG 56 11.058 1.720 0.871 371 HG3 ARG 56 HG1 ARG 56 11.749 0.102 1.017 372 HD2 ARG 56 HD2 ARG 56 12.553 0.335 -1.373 373 HD3 ARG 56 HD1 ARG 56 12.061 2.027 -1.299 374 HE ARG 56 HE ARG 56 13.925 1.080 0.799 375 HH11 ARG 56 1HH2 ARG 56 14.961 1.265 -2.136 376 HH12 ARG 56 2HH2 ARG 56 15.708 2.826 -2.090 377 HH21 ARG 56 1HH1 ARG 56 14.171 3.766 0.874 378 HH22 ARG 56 2HH1 ARG 56 15.261 4.244 -0.384 379 H CYS 57 H CYS 57 7.153 1.570 -1.477 380 HA CYS 57 HA CYS 57 4.959 -0.126 -1.029 381 HB2 CYS 57 HB2 CYS 57 5.011 1.819 -2.639 382 HB3 CYS 57 HB1 CYS 57 5.908 0.796 -3.751 383 H THR 58 H THR 58 4.406 -2.182 -1.818 384 HA THR 58 HA THR 58 6.660 -3.936 -2.435 385 HB THR 58 HB THR 58 4.229 -5.340 -2.749 386 HG1 THR 58 HG1 THR 58 4.212 -3.615 -0.501 387 HG21 THR 58 3HG2 THR 58 5.049 -5.793 -0.158 388 HG22 THR 58 1HG2 THR 58 6.523 -5.193 -0.920 389 HG23 THR 58 2HG2 THR 58 5.700 -6.606 -1.582 390 H GLY 59 H GLY 59 4.209 -2.261 -4.220 391 HA2 GLY 59 HA2 GLY 59 4.626 -1.998 -6.658 392 HA3 GLY 59 HA1 GLY 59 5.116 -3.693 -6.684 393 H GLN 60 H GLN 60 2.867 -4.336 -4.782 394 HA GLN 60 HA GLN 60 0.543 -3.960 -6.608 395 HB2 GLN 60 HB2 GLN 60 1.100 -6.616 -5.289 396 HB3 GLN 60 HB1 GLN 60 0.021 -6.264 -6.640 397 HG2 GLN 60 HG2 GLN 60 1.814 -5.989 -8.155 398 HG3 GLN 60 HG1 GLN 60 2.993 -5.797 -6.858 399 HE21 GLN 60 1HE2 GLN 60 3.403 -7.804 -5.490 400 HE22 GLN 60 2HE2 GLN 60 3.247 -9.326 -6.228 401 H SER 61 H SER 61 1.728 -3.398 -3.642 402 HA SER 61 HA SER 61 -0.892 -3.949 -2.298 403 HB2 SER 61 HB2 SER 61 1.195 -5.061 -1.349 404 HB3 SER 61 HB1 SER 61 1.758 -3.447 -0.926 405 HG SER 61 HG SER 61 -0.176 -3.199 0.285 406 H ALA 62 H ALA 62 -2.036 -2.052 -2.494 407 HA ALA 62 HA ALA 62 -1.017 0.549 -2.780 408 HB1 ALA 62 HB1 ALA 62 -3.582 -0.638 -1.952 409 HB2 ALA 62 HB2 ALA 62 -3.270 0.719 -3.034 410 HB3 ALA 62 HB3 ALA 62 -3.293 0.970 -1.288 411 H ASP 63 H ASP 63 -1.698 -1.273 0.190 412 HA ASP 63 HA ASP 63 -0.820 0.953 1.890 413 HB2 ASP 63 HB2 ASP 63 -1.456 -1.943 2.552 414 HB3 ASP 63 HB1 ASP 63 -1.141 -0.677 3.740 415 H CYS 64 H CYS 64 1.323 1.374 1.514 416 HA CYS 64 HA CYS 64 3.383 -0.411 0.898 417 HB2 CYS 64 HB2 CYS 64 3.241 2.238 2.263 418 HB3 CYS 64 HB1 CYS 64 4.760 1.353 2.354 419 HA PRO 65 HA PRO 65 3.723 -2.852 4.510 420 HB2 PRO 65 HB2 PRO 65 6.008 -4.132 3.723 421 HB3 PRO 65 HB1 PRO 65 4.409 -4.543 3.105 422 HG2 PRO 65 HG2 PRO 65 6.644 -3.106 1.772 423 HG3 PRO 65 HG1 PRO 65 5.311 -4.023 1.051 424 HD2 PRO 65 HD2 PRO 65 5.491 -1.204 1.225 425 HD3 PRO 65 HD1 PRO 65 4.047 -2.143 0.791 426 H ARG 66 H ARG 66 5.146 -3.038 6.369 427 HA ARG 66 HA ARG 66 6.955 -0.714 6.667 428 HB2 ARG 66 HB2 ARG 66 5.429 -2.493 8.480 429 HB3 ARG 66 HB1 ARG 66 6.997 -1.960 9.087 430 HG2 ARG 66 HG2 ARG 66 5.970 0.362 8.014 431 HG3 ARG 66 HG1 ARG 66 4.532 -0.416 8.677 432 HD2 ARG 66 HD2 ARG 66 6.284 -0.838 10.708 433 HD3 ARG 66 HD1 ARG 66 6.898 0.690 10.079 434 HE ARG 66 HE ARG 66 4.474 1.513 10.348 435 HH11 ARG 66 1HH1 ARG 66 6.319 0.653 12.835 436 HH12 ARG 66 2HH1 ARG 66 5.064 0.110 13.898 437 HH21 ARG 66 1HH2 ARG 66 2.629 0.071 11.432 438 HH22 ARG 66 2HH2 ARG 66 2.974 -0.219 13.104 439 H ASN 67 H ASN 67 8.826 -1.380 5.521 440 HA ASN 67 HA ASN 67 10.051 -3.979 6.163 441 HB2 ASN 67 HB2 ASN 67 10.343 -1.948 4.092 442 HB3 ASN 67 HB1 ASN 67 11.907 -2.473 4.717 443 HD21 ASN 67 1HD2 ASN 67 11.282 -3.198 2.097 444 HD22 ASN 67 2HD2 ASN 67 10.941 -4.859 2.017 445 H GLY 68 H GLY 68 9.794 -1.344 7.946 446 HA2 GLY 68 HA2 GLY 68 12.574 -0.771 8.597 447 HA3 GLY 68 HA1 GLY 68 11.165 -0.212 9.498 448 H LEU 69 H LEU 69 12.505 -0.815 11.417 449 HA LEU 69 HA LEU 69 12.822 -3.723 11.869 450 HB2 LEU 69 HB2 LEU 69 13.847 -1.230 13.132 451 HB3 LEU 69 HB1 LEU 69 13.614 -2.616 14.199 452 HG LEU 69 HG LEU 69 15.122 -2.787 11.579 453 HD11 LEU 69 1HD1 LEU 69 17.176 -2.711 12.943 454 HD12 LEU 69 2HD1 LEU 69 16.208 -2.426 14.390 455 HD13 LEU 69 3HD1 LEU 69 16.260 -1.213 13.110 456 HD21 LEU 69 3HD2 LEU 69 14.198 -4.674 13.563 457 HD22 LEU 69 1HD2 LEU 69 15.961 -4.685 13.503 458 HD23 LEU 69 2HD2 LEU 69 15.028 -4.992 12.039 459 H TYR 70 H TYR 70 10.163 -3.091 11.612 460 HA TYR 70 HA TYR 70 9.193 -3.517 14.391 461 HB2 TYR 70 HB2 TYR 70 7.811 -1.629 12.468 462 HB3 TYR 70 HB1 TYR 70 7.441 -1.891 14.174 463 HD1 TYR 70 HD2 TYR 70 9.250 -1.329 15.903 464 HD2 TYR 70 HD1 TYR 70 9.400 -0.003 11.820 465 HE1 TYR 70 HE2 TYR 70 10.883 0.428 16.533 466 HE2 TYR 70 HE1 TYR 70 11.034 1.753 12.450 467 HH TYR 70 HH TYR 70 12.132 2.114 15.826 468 H GLY 71 H GLY 71 8.323 -5.533 14.216 469 HA2 GLY 71 HA2 GLY 71 6.327 -6.804 13.524 470 HA3 GLY 71 HA1 GLY 71 6.438 -6.017 11.949 Start of MODEL 4 1 H GLY 1 HT1 GLY 1 -17.081 -9.911 5.359 2 HA2 GLY 1 HA1 GLY 1 -16.925 -11.082 2.806 3 HA3 GLY 1 HA2 GLY 1 -17.902 -9.710 3.329 4 H LYS 2 H LYS 2 -15.448 -10.606 1.255 5 HA LYS 2 HA LYS 2 -13.811 -8.212 1.358 6 HB2 LYS 2 HB2 LYS 2 -13.784 -10.700 -0.032 7 HB3 LYS 2 HB1 LYS 2 -13.753 -9.416 -1.241 8 HG2 LYS 2 HG2 LYS 2 -11.956 -9.288 1.173 9 HG3 LYS 2 HG1 LYS 2 -11.489 -10.226 -0.246 10 HD2 LYS 2 HD2 LYS 2 -10.616 -8.234 -0.941 11 HD3 LYS 2 HD1 LYS 2 -12.279 -7.921 -1.440 12 HE2 LYS 2 HE2 LYS 2 -12.727 -6.586 0.439 13 HE3 LYS 2 HE1 LYS 2 -11.387 -7.269 1.360 14 HZ1 LYS 2 HZ1 LYS 2 -9.829 -6.122 0.024 15 HZ2 LYS 2 HZ2 LYS 2 -11.011 -4.983 0.468 16 HZ3 LYS 2 HZ3 LYS 2 -11.014 -5.651 -1.095 17 H GLU 3 H GLU 3 -15.414 -6.502 1.287 18 HA GLU 3 HA GLU 3 -16.268 -5.899 -1.487 19 HB2 GLU 3 HB2 GLU 3 -18.109 -7.081 0.017 20 HB3 GLU 3 HB1 GLU 3 -18.287 -5.454 0.677 21 HG2 GLU 3 HG2 GLU 3 -18.882 -4.541 -1.421 22 HG3 GLU 3 HG1 GLU 3 -18.271 -5.943 -2.300 23 H CYS 4 H CYS 4 -14.568 -4.875 1.032 24 HA CYS 4 HA CYS 4 -15.319 -2.012 0.572 25 HB2 CYS 4 HB2 CYS 4 -14.591 -3.374 3.179 26 HB3 CYS 4 HB1 CYS 4 -14.580 -1.626 2.977 27 H ASP 5 H ASP 5 -13.620 -1.654 -0.883 28 HA ASP 5 HA ASP 5 -10.861 -2.346 -0.018 29 HB2 ASP 5 HB2 ASP 5 -12.096 -2.442 -2.492 30 HB3 ASP 5 HB1 ASP 5 -11.188 -0.933 -2.576 31 H CYS 6 H CYS 6 -12.754 -0.041 0.912 32 HA CYS 6 HA CYS 6 -10.624 1.948 1.126 33 HB2 CYS 6 HB2 CYS 6 -11.339 2.685 -0.995 34 HB3 CYS 6 HB1 CYS 6 -13.030 2.347 -0.643 35 H SER 7 H SER 7 -10.815 2.605 3.209 36 HA SER 7 HA SER 7 -13.424 2.348 4.575 37 HB2 SER 7 HB2 SER 7 -10.808 1.935 5.393 38 HB3 SER 7 HB1 SER 7 -11.211 3.486 6.125 39 HG SER 7 HG SER 7 -12.725 1.085 6.297 40 H SER 8 H SER 8 -11.893 4.701 2.788 41 HA SER 8 HA SER 8 -12.739 6.965 4.481 42 HB2 SER 8 HB2 SER 8 -11.894 8.250 2.367 43 HB3 SER 8 HB1 SER 8 -10.718 7.463 3.415 44 HG SER 8 HG SER 8 -10.371 6.939 1.224 45 HA PRO 9 HA PRO 9 -16.651 6.820 2.283 46 HB2 PRO 9 HB2 PRO 9 -17.898 8.625 3.941 47 HB3 PRO 9 HB1 PRO 9 -17.710 6.907 4.332 48 HG2 PRO 9 HG2 PRO 9 -16.242 9.256 5.438 49 HG3 PRO 9 HG1 PRO 9 -16.560 7.679 6.181 50 HD2 PRO 9 HD2 PRO 9 -14.117 8.495 5.011 51 HD3 PRO 9 HD1 PRO 9 -14.559 6.831 5.450 52 H GLU 10 H GLU 10 -15.079 9.830 3.382 53 HA GLU 10 HA GLU 10 -16.432 11.527 1.475 54 HB2 GLU 10 HB2 GLU 10 -14.543 11.841 3.599 55 HB3 GLU 10 HB1 GLU 10 -13.872 12.604 2.157 56 HG2 GLU 10 HG2 GLU 10 -16.754 13.095 2.749 57 HG3 GLU 10 HG1 GLU 10 -15.566 13.902 3.773 58 H ASN 11 H ASN 11 -13.930 9.227 1.203 59 HA ASN 11 HA ASN 11 -12.479 10.435 -0.993 60 HB2 ASN 11 HB2 ASN 11 -11.532 8.650 0.468 61 HB3 ASN 11 HB1 ASN 11 -12.692 7.511 -0.217 62 HD21 ASN 11 1HD2 ASN 11 -10.998 6.214 -1.225 63 HD22 ASN 11 2HD2 ASN 11 -10.131 6.781 -2.569 64 HA PRO 12 HA PRO 12 -15.707 9.461 -3.931 65 HB2 PRO 12 HB2 PRO 12 -14.494 10.723 -6.050 66 HB3 PRO 12 HB1 PRO 12 -15.414 11.574 -4.796 67 HG2 PRO 12 HG2 PRO 12 -12.462 11.443 -5.194 68 HG3 PRO 12 HG1 PRO 12 -13.434 12.702 -4.415 69 HD2 PRO 12 HD2 PRO 12 -11.918 10.714 -3.085 70 HD3 PRO 12 HD1 PRO 12 -13.141 11.767 -2.343 71 H CYS 13 H CYS 13 -12.352 8.570 -4.080 72 HA CYS 13 HA CYS 13 -12.394 7.132 -6.565 73 HB2 CYS 13 HB2 CYS 13 -10.393 7.815 -4.959 74 HB3 CYS 13 HB1 CYS 13 -10.679 6.210 -4.296 75 H CYS 14 H CYS 14 -13.693 6.413 -3.438 76 HA CYS 14 HA CYS 14 -14.196 3.618 -4.374 77 HB2 CYS 14 HB2 CYS 14 -14.366 3.131 -1.844 78 HB3 CYS 14 HB1 CYS 14 -12.756 3.379 -2.521 79 H ASP 15 H ASP 15 -16.272 2.834 -4.149 80 HA ASP 15 HA ASP 15 -18.404 4.804 -3.820 81 HB2 ASP 15 HB2 ASP 15 -18.318 2.698 -5.385 82 HB3 ASP 15 HB1 ASP 15 -18.835 1.826 -3.939 83 H ALA 16 H ALA 16 -19.679 5.056 -1.991 84 HA ALA 16 HA ALA 16 -18.716 3.951 0.506 85 HB1 ALA 16 HB1 ALA 16 -20.492 6.031 -0.317 86 HB2 ALA 16 HB2 ALA 16 -19.846 5.728 1.296 87 HB3 ALA 16 HB3 ALA 16 -21.367 4.984 0.800 88 H ALA 17 H ALA 17 -21.601 3.365 -1.504 89 HA ALA 17 HA ALA 17 -22.860 1.481 0.206 90 HB1 ALA 17 HB1 ALA 17 -23.385 2.549 -2.295 91 HB2 ALA 17 HB2 ALA 17 -24.348 1.309 -1.494 92 HB3 ALA 17 HB3 ALA 17 -23.097 0.846 -2.647 93 H THR 18 H THR 18 -20.419 1.004 -2.347 94 HA THR 18 HA THR 18 -20.169 -1.832 -1.452 95 HB THR 18 HB THR 18 -19.063 -2.244 -3.591 96 HG1 THR 18 HG1 THR 18 -19.033 -0.404 -5.074 97 HG21 THR 18 3HG2 THR 18 -21.453 -0.516 -4.215 98 HG22 THR 18 1HG2 THR 18 -21.632 -2.047 -3.358 99 HG23 THR 18 2HG2 THR 18 -20.954 -2.022 -4.987 100 H CYS 19 H CYS 19 -18.894 0.961 -0.567 101 HA CYS 19 HA CYS 19 -16.716 1.750 -0.007 102 HB2 CYS 19 HB2 CYS 19 -15.592 -0.210 1.414 103 HB3 CYS 19 HB1 CYS 19 -16.958 0.706 2.025 104 H LYS 20 H LYS 20 -16.717 0.612 -2.668 105 HA LYS 20 HA LYS 20 -13.889 -0.350 -2.688 106 HB2 LYS 20 HB2 LYS 20 -16.157 -1.486 -4.350 107 HB3 LYS 20 HB1 LYS 20 -14.454 -1.922 -4.514 108 HG2 LYS 20 HG2 LYS 20 -15.186 -2.148 -1.751 109 HG3 LYS 20 HG1 LYS 20 -16.370 -3.025 -2.719 110 HD2 LYS 20 HD2 LYS 20 -13.464 -3.354 -3.363 111 HD3 LYS 20 HD1 LYS 20 -14.127 -4.209 -1.970 112 HE2 LYS 20 HE2 LYS 20 -14.427 -5.728 -3.754 113 HE3 LYS 20 HE1 LYS 20 -16.007 -4.963 -3.581 114 HZ1 LYS 20 HZ1 LYS 20 -14.130 -3.619 -5.340 115 HZ2 LYS 20 HZ2 LYS 20 -15.800 -3.878 -5.522 116 HZ3 LYS 20 HZ3 LYS 20 -14.698 -5.120 -5.888 117 H LEU 21 H LEU 21 -13.056 -0.234 -5.076 118 HA LEU 21 HA LEU 21 -13.176 2.486 -5.906 119 HB2 LEU 21 HB2 LEU 21 -12.215 -0.032 -7.273 120 HB3 LEU 21 HB1 LEU 21 -12.099 1.553 -8.040 121 HG LEU 21 HG LEU 21 -11.150 1.810 -5.360 122 HD11 LEU 21 1HD1 LEU 21 -10.835 -0.706 -5.617 123 HD12 LEU 21 2HD1 LEU 21 -9.371 0.209 -5.255 124 HD13 LEU 21 3HD1 LEU 21 -9.682 -0.342 -6.902 125 HD21 LEU 21 3HD2 LEU 21 -10.361 2.351 -8.103 126 HD22 LEU 21 1HD2 LEU 21 -8.975 1.854 -7.133 127 HD23 LEU 21 2HD2 LEU 21 -9.950 3.236 -6.635 128 H ARG 22 H ARG 22 -14.875 3.487 -6.845 129 HA ARG 22 HA ARG 22 -17.043 2.002 -8.080 130 HB2 ARG 22 HB2 ARG 22 -16.692 4.593 -7.039 131 HB3 ARG 22 HB1 ARG 22 -17.033 4.820 -8.755 132 HG2 ARG 22 HG2 ARG 22 -18.737 2.774 -7.549 133 HG3 ARG 22 HG1 ARG 22 -18.926 4.346 -6.773 134 HD2 ARG 22 HD2 ARG 22 -19.156 5.346 -9.095 135 HD3 ARG 22 HD1 ARG 22 -19.244 3.697 -9.712 136 HE ARG 22 HE ARG 22 -21.164 4.359 -7.576 137 HH11 ARG 22 1HH2 ARG 22 -20.950 2.434 -10.154 138 HH12 ARG 22 2HH2 ARG 22 -22.371 2.977 -10.981 139 HH21 ARG 22 1HH1 ARG 22 -22.793 5.773 -8.972 140 HH22 ARG 22 2HH1 ARG 22 -23.416 4.869 -10.312 141 HA PRO 23 HA PRO 23 -15.245 3.867 -12.098 142 HB2 PRO 23 HB2 PRO 23 -12.858 5.218 -11.912 143 HB3 PRO 23 HB1 PRO 23 -14.439 5.998 -11.743 144 HG2 PRO 23 HG2 PRO 23 -12.440 5.331 -9.635 145 HG3 PRO 23 HG1 PRO 23 -13.678 6.597 -9.646 146 HD2 PRO 23 HD2 PRO 23 -13.836 4.125 -8.276 147 HD3 PRO 23 HD1 PRO 23 -15.178 5.255 -8.552 148 H GLY 24 H GLY 24 -12.587 3.815 -13.112 149 HA2 GLY 24 HA2 GLY 24 -11.908 0.969 -12.601 150 HA3 GLY 24 HA1 GLY 24 -11.391 1.911 -14.000 151 H ALA 25 H ALA 25 -11.185 2.855 -10.581 152 HA ALA 25 HA ALA 25 -8.333 3.460 -10.950 153 HB1 ALA 25 HB1 ALA 25 -9.111 5.118 -9.597 154 HB2 ALA 25 HB2 ALA 25 -8.846 3.942 -8.309 155 HB3 ALA 25 HB3 ALA 25 -10.453 4.138 -9.008 156 H GLN 26 H GLN 26 -6.644 2.479 -9.686 157 HA GLN 26 HA GLN 26 -7.038 -0.339 -9.161 158 HB2 GLN 26 HB2 GLN 26 -4.694 1.405 -8.352 159 HB3 GLN 26 HB1 GLN 26 -4.693 -0.345 -8.556 160 HG2 GLN 26 HG2 GLN 26 -5.259 1.656 -10.764 161 HG3 GLN 26 HG1 GLN 26 -3.723 0.818 -10.529 162 HE21 GLN 26 1HE2 GLN 26 -3.533 -1.258 -11.436 163 HE22 GLN 26 2HE2 GLN 26 -4.825 -2.127 -12.109 164 H CYS 27 H CYS 27 -6.100 2.354 -6.975 165 HA CYS 27 HA CYS 27 -7.490 0.863 -4.787 166 HB2 CYS 27 HB2 CYS 27 -5.252 0.612 -4.158 167 HB3 CYS 27 HB1 CYS 27 -4.775 2.157 -4.848 168 H GLY 28 H GLY 28 -8.895 2.082 -3.570 169 HA2 GLY 28 HA2 GLY 28 -9.568 4.743 -4.507 170 HA3 GLY 28 HA1 GLY 28 -10.348 3.890 -3.179 171 H GLU 29 H GLU 29 -8.143 3.388 -1.535 172 HA GLU 29 HA GLU 29 -6.847 6.006 -1.047 173 HB2 GLU 29 HB2 GLU 29 -8.997 6.054 0.209 174 HB3 GLU 29 HB1 GLU 29 -8.503 4.592 1.062 175 HG2 GLU 29 HG2 GLU 29 -6.499 5.784 1.912 176 HG3 GLU 29 HG1 GLU 29 -7.046 7.251 1.098 177 H GLY 30 H GLY 30 -4.875 5.795 0.033 178 HA2 GLY 30 HA2 GLY 30 -3.917 3.857 1.721 179 HA3 GLY 30 HA1 GLY 30 -3.741 3.096 0.141 180 H LEU 31 H LEU 31 -1.386 3.418 1.247 181 HA LEU 31 HA LEU 31 -0.269 6.093 0.765 182 HB2 LEU 31 HB2 LEU 31 0.608 3.591 2.048 183 HB3 LEU 31 HB1 LEU 31 1.884 4.431 1.168 184 HG LEU 31 HG LEU 31 1.414 6.496 2.395 185 HD11 LEU 31 1HD1 LEU 31 -1.083 5.278 2.840 186 HD12 LEU 31 2HD1 LEU 31 -0.541 6.835 3.467 187 HD13 LEU 31 3HD1 LEU 31 -0.324 5.373 4.430 188 HD21 LEU 31 3HD2 LEU 31 1.530 4.999 4.803 189 HD22 LEU 31 1HD2 LEU 31 2.885 5.668 3.891 190 HD23 LEU 31 2HD2 LEU 31 2.329 4.025 3.567 191 H CYS 32 H CYS 32 -0.163 2.890 -0.763 192 HA CYS 32 HA CYS 32 1.702 3.838 -2.829 193 HB2 CYS 32 HB2 CYS 32 0.170 1.276 -3.082 194 HB3 CYS 32 HB1 CYS 32 1.835 1.627 -3.533 195 H CYS 33 H CYS 33 -1.561 4.218 -2.299 196 HA CYS 33 HA CYS 33 -2.503 3.814 -5.024 197 HB2 CYS 33 HB2 CYS 33 -3.887 5.558 -3.004 198 HB3 CYS 33 HB1 CYS 33 -4.599 4.520 -4.237 199 H GLU 34 H GLU 34 -0.934 5.109 -6.200 200 HA GLU 34 HA GLU 34 -0.985 8.029 -5.737 201 HB2 GLU 34 HB2 GLU 34 1.016 6.360 -6.567 202 HB3 GLU 34 HB1 GLU 34 0.413 6.952 -8.115 203 HG2 GLU 34 HG2 GLU 34 1.875 8.664 -7.657 204 HG3 GLU 34 HG1 GLU 34 0.476 9.282 -6.779 205 H GLN 35 H GLN 35 -2.643 9.130 -6.670 206 HA GLN 35 HA GLN 35 -4.243 9.763 -8.261 207 HB2 GLN 35 HB2 GLN 35 -1.970 9.088 -9.724 208 HB3 GLN 35 HB1 GLN 35 -3.249 8.131 -10.475 209 HG2 GLN 35 HG2 GLN 35 -4.428 10.624 -10.039 210 HG3 GLN 35 HG1 GLN 35 -2.796 11.007 -10.587 211 HE21 GLN 35 1HE2 GLN 35 -5.342 11.327 -12.116 212 HE22 GLN 35 2HE2 GLN 35 -5.164 10.379 -13.514 213 H CYS 36 H CYS 36 -4.634 7.484 -6.582 214 HA CYS 36 HA CYS 36 -6.174 5.747 -6.316 215 HB2 CYS 36 HB2 CYS 36 -7.123 6.978 -8.895 216 HB3 CYS 36 HB1 CYS 36 -7.823 5.481 -8.302 217 H LYS 37 H LYS 37 -3.568 5.569 -8.029 218 HA LYS 37 HA LYS 37 -4.228 2.944 -9.298 219 HB2 LYS 37 HB2 LYS 37 -2.281 5.115 -10.023 220 HB3 LYS 37 HB1 LYS 37 -1.918 3.446 -10.465 221 HG2 LYS 37 HG2 LYS 37 -4.684 4.167 -11.063 222 HG3 LYS 37 HG1 LYS 37 -3.528 5.195 -11.910 223 HD2 LYS 37 HD2 LYS 37 -2.465 2.611 -12.118 224 HD3 LYS 37 HD1 LYS 37 -4.197 2.409 -12.391 225 HE2 LYS 37 HE2 LYS 37 -3.797 3.095 -14.508 226 HE3 LYS 37 HE1 LYS 37 -3.591 4.707 -13.824 227 HZ1 LYS 37 HZ1 LYS 37 -1.394 2.728 -14.029 228 HZ2 LYS 37 HZ2 LYS 37 -1.268 4.376 -13.635 229 HZ3 LYS 37 HZ3 LYS 37 -1.700 3.906 -15.209 230 H PHE 38 H PHE 38 -2.495 1.291 -9.080 231 HA PHE 38 HA PHE 38 -1.459 1.251 -6.352 232 HB2 PHE 38 HB2 PHE 38 -1.527 -0.635 -8.666 233 HB3 PHE 38 HB1 PHE 38 -0.289 -0.896 -7.442 234 HD1 PHE 38 HD1 PHE 38 -3.744 0.455 -7.027 235 HD2 PHE 38 HD2 PHE 38 -1.037 -2.785 -6.248 236 HE1 PHE 38 HE1 PHE 38 -5.431 -0.601 -5.551 237 HE2 PHE 38 HE2 PHE 38 -2.724 -3.839 -4.767 238 HZ PHE 38 HZ PHE 38 -4.924 -2.747 -4.420 239 H SER 39 H SER 39 0.385 2.382 -5.861 240 HA SER 39 HA SER 39 2.255 3.325 -7.802 241 HB2 SER 39 HB2 SER 39 2.294 2.977 -4.823 242 HB3 SER 39 HB1 SER 39 3.818 3.295 -5.647 243 HG SER 39 HG SER 39 3.164 5.294 -5.555 244 H ARG 40 H ARG 40 4.594 2.521 -7.930 245 HA ARG 40 HA ARG 40 4.530 -0.365 -8.405 246 HB2 ARG 40 HB2 ARG 40 6.081 1.853 -9.321 247 HB3 ARG 40 HB1 ARG 40 7.189 0.686 -8.599 248 HG2 ARG 40 HG2 ARG 40 5.113 -0.556 -10.267 249 HG3 ARG 40 HG1 ARG 40 6.179 0.528 -11.162 250 HD2 ARG 40 HD2 ARG 40 8.043 -0.771 -10.792 251 HD3 ARG 40 HD1 ARG 40 7.459 -1.349 -9.231 252 HE ARG 40 HE ARG 40 5.750 -2.440 -11.198 253 HH11 ARG 40 1HH1 ARG 40 8.982 -2.280 -11.797 254 HH12 ARG 40 2HH1 ARG 40 9.298 -3.980 -11.690 255 HH21 ARG 40 1HH2 ARG 40 6.174 -4.747 -10.395 256 HH22 ARG 40 2HH2 ARG 40 7.708 -5.376 -10.896 257 H ALA 41 H ALA 41 6.356 -1.759 -7.516 258 HA ALA 41 HA ALA 41 6.394 -1.569 -4.626 259 HB1 ALA 41 HB1 ALA 41 8.442 -3.281 -5.891 260 HB2 ALA 41 HB2 ALA 41 6.795 -3.608 -6.428 261 HB3 ALA 41 HB3 ALA 41 7.198 -3.702 -4.714 262 H GLY 42 H GLY 42 8.490 -1.517 -3.377 263 HA2 GLY 42 HA2 GLY 42 10.539 -0.454 -2.880 264 HA3 GLY 42 HA1 GLY 42 10.814 -0.313 -4.618 265 H LYS 43 H LYS 43 7.779 0.807 -3.428 266 HA LYS 43 HA LYS 43 8.550 3.569 -4.157 267 HB2 LYS 43 HB2 LYS 43 6.458 3.479 -5.006 268 HB3 LYS 43 HB1 LYS 43 6.090 2.008 -4.118 269 HG2 LYS 43 HG2 LYS 43 4.529 3.670 -3.357 270 HG3 LYS 43 HG1 LYS 43 5.705 3.489 -2.068 271 HD2 LYS 43 HD2 LYS 43 6.883 5.483 -2.773 272 HD3 LYS 43 HD1 LYS 43 5.891 5.606 -4.226 273 HE2 LYS 43 HE2 LYS 43 3.929 6.122 -2.956 274 HE3 LYS 43 HE1 LYS 43 4.718 5.691 -1.439 275 HZ1 LYS 43 HZ1 LYS 43 6.083 7.721 -2.975 276 HZ2 LYS 43 HZ2 LYS 43 5.734 7.664 -1.312 277 HZ3 LYS 43 HZ3 LYS 43 4.551 8.185 -2.415 278 H ILE 44 H ILE 44 9.121 5.044 -2.656 279 HA ILE 44 HA ILE 44 9.255 4.412 0.126 280 HB ILE 44 HB ILE 44 9.861 6.716 -1.596 281 HG12 ILE 44 2HG1 ILE 44 11.528 5.200 -0.592 282 HG13 ILE 44 1HG1 ILE 44 11.767 6.858 -0.035 283 HG21 ILE 44 1HG2 ILE 44 8.679 7.134 1.139 284 HG22 ILE 44 2HG2 ILE 44 8.454 8.090 -0.326 285 HG23 ILE 44 3HG2 ILE 44 9.968 8.197 0.573 286 HD11 ILE 44 3HD1 ILE 44 11.373 4.570 1.570 287 HD12 ILE 44 1HD1 ILE 44 9.877 5.499 1.679 288 HD13 ILE 44 2HD1 ILE 44 11.415 6.251 2.106 289 H CYS 45 H CYS 45 7.342 3.905 1.121 290 HA CYS 45 HA CYS 45 4.935 5.532 0.632 291 HB2 CYS 45 HB2 CYS 45 3.907 3.935 2.292 292 HB3 CYS 45 HB1 CYS 45 4.602 3.145 0.878 293 H ARG 46 H ARG 46 7.491 5.210 2.938 294 HA ARG 46 HA ARG 46 6.596 7.621 4.340 295 HB2 ARG 46 HB2 ARG 46 5.553 5.293 5.312 296 HB3 ARG 46 HB1 ARG 46 7.049 5.401 6.241 297 HG2 ARG 46 HG2 ARG 46 6.417 7.361 7.297 298 HG3 ARG 46 HG1 ARG 46 5.373 7.864 5.968 299 HD2 ARG 46 HD2 ARG 46 3.826 5.964 6.574 300 HD3 ARG 46 HD1 ARG 46 4.814 5.697 8.010 301 HE ARG 46 HE ARG 46 4.139 8.413 8.066 302 HH11 ARG 46 1HH1 ARG 46 1.612 7.257 6.784 303 HH12 ARG 46 2HH1 ARG 46 0.634 6.974 8.185 304 HH21 ARG 46 1HH2 ARG 46 3.282 7.234 10.411 305 HH22 ARG 46 2HH2 ARG 46 1.580 6.961 10.240 306 H ILE 47 H ILE 47 8.227 8.207 6.086 307 HA ILE 47 HA ILE 47 10.934 7.507 5.113 308 HB ILE 47 HB ILE 47 10.299 9.897 5.513 309 HG12 ILE 47 2HG1 ILE 47 12.314 9.867 7.507 310 HG13 ILE 47 1HG1 ILE 47 12.629 8.483 6.459 311 HG21 ILE 47 1HG2 ILE 47 10.414 9.223 8.455 312 HG22 ILE 47 2HG2 ILE 47 8.887 9.232 7.572 313 HG23 ILE 47 3HG2 ILE 47 9.844 10.708 7.693 314 HD11 ILE 47 3HD1 ILE 47 13.182 9.797 4.689 315 HD12 ILE 47 1HD1 ILE 47 13.407 11.055 5.904 316 HD13 ILE 47 2HD1 ILE 47 11.886 10.945 5.018 317 H ALA 48 H ALA 48 12.068 5.927 6.123 318 HA ALA 48 HA ALA 48 11.216 4.376 8.266 319 HB1 ALA 48 HB1 ALA 48 14.054 4.636 8.512 320 HB2 ALA 48 HB2 ALA 48 13.645 4.697 6.797 321 HB3 ALA 48 HB3 ALA 48 13.141 3.319 7.777 322 H ARG 49 H ARG 49 10.848 4.835 10.376 323 HA ARG 49 HA ARG 49 11.542 7.405 11.506 324 HB2 ARG 49 HB2 ARG 49 10.295 4.880 12.559 325 HB3 ARG 49 HB1 ARG 49 10.810 6.134 13.688 326 HG2 ARG 49 HG2 ARG 49 9.252 7.662 12.921 327 HG3 ARG 49 HG1 ARG 49 9.197 6.954 11.307 328 HD2 ARG 49 HD2 ARG 49 7.283 5.942 11.951 329 HD3 ARG 49 HD1 ARG 49 8.290 4.904 12.961 330 HE ARG 49 HE ARG 49 6.954 7.396 13.936 331 HH11 ARG 49 1HH2 ARG 49 6.416 4.284 14.404 332 HH12 ARG 49 2HH2 ARG 49 6.892 4.187 16.067 333 HH21 ARG 49 1HH1 ARG 49 8.436 7.293 16.081 334 HH22 ARG 49 2HH1 ARG 49 8.037 5.891 17.016 335 H GLY 50 H GLY 50 13.849 7.510 11.330 336 HA2 GLY 50 HA2 GLY 50 15.505 7.182 13.383 337 HA3 GLY 50 HA1 GLY 50 15.406 5.501 12.861 338 H ASP 51 H ASP 51 16.698 4.862 11.181 339 HA ASP 51 HA ASP 51 17.608 6.627 9.092 340 HB2 ASP 51 HB2 ASP 51 19.954 6.808 9.696 341 HB3 ASP 51 HB1 ASP 51 18.981 7.459 11.016 342 H TRP 52 H TRP 52 16.410 4.194 8.920 343 HA TRP 52 HA TRP 52 18.638 2.448 7.967 344 HB2 TRP 52 HB2 TRP 52 16.754 0.603 8.600 345 HB3 TRP 52 HB1 TRP 52 18.031 1.090 9.713 346 HD1 TRP 52 HD TRP 52 14.536 2.474 8.757 347 HE1 TRP 52 HE1 TRP 52 13.336 3.179 10.926 348 HE3 TRP 52 HE3 TRP 52 18.153 1.331 12.171 349 HZ2 TRP 52 HZ2 TRP 52 13.848 3.255 13.739 350 HZ3 TRP 52 HZ3 TRP 52 17.773 1.735 14.586 351 HH2 TRP 52 HH TRP 52 15.629 2.693 15.373 352 H ASN 53 H ASN 53 17.134 0.483 6.748 353 HA ASN 53 HA ASN 53 16.449 1.558 4.263 354 HB2 ASN 53 HB2 ASN 53 15.350 -0.524 3.777 355 HB3 ASN 53 HB1 ASN 53 16.693 -0.900 4.858 356 HD21 ASN 53 1HD2 ASN 53 13.771 -2.045 4.407 357 HD22 ASN 53 2HD2 ASN 53 13.203 -2.224 5.997 358 H ASP 54 H ASP 54 14.792 2.840 3.594 359 HA ASP 54 HA ASP 54 12.698 3.611 5.459 360 HB2 ASP 54 HB2 ASP 54 13.043 4.213 2.504 361 HB3 ASP 54 HB1 ASP 54 11.863 4.985 3.565 362 H ASP 55 H ASP 55 10.359 3.419 4.906 363 HA ASP 55 HA ASP 55 9.679 0.685 4.264 364 HB2 ASP 55 HB2 ASP 55 7.872 3.116 4.475 365 HB3 ASP 55 HB1 ASP 55 7.353 1.430 4.521 366 H ARG 56 H ARG 56 9.001 -0.167 2.322 367 HA ARG 56 HA ARG 56 8.691 1.747 0.038 368 HB2 ARG 56 HB2 ARG 56 9.719 -1.056 -0.320 369 HB3 ARG 56 HB1 ARG 56 9.926 0.348 -1.366 370 HG2 ARG 56 HG2 ARG 56 11.037 0.994 1.183 371 HG3 ARG 56 HG1 ARG 56 11.670 -0.579 0.697 372 HD2 ARG 56 HD2 ARG 56 12.079 0.523 -1.608 373 HD3 ARG 56 HD1 ARG 56 11.865 2.054 -0.760 374 HE ARG 56 HE ARG 56 13.924 0.072 0.121 375 HH11 ARG 56 1HH2 ARG 56 13.517 2.832 -1.737 376 HH12 ARG 56 2HH2 ARG 56 14.727 3.770 -0.928 377 HH21 ARG 56 1HH1 ARG 56 15.221 1.444 1.597 378 HH22 ARG 56 2HH1 ARG 56 15.692 2.984 0.960 379 H CYS 57 H CYS 57 6.896 1.446 -1.216 380 HA CYS 57 HA CYS 57 4.794 -0.271 -0.255 381 HB2 CYS 57 HB2 CYS 57 5.189 1.523 -2.606 382 HB3 CYS 57 HB1 CYS 57 3.905 0.320 -2.704 383 H THR 58 H THR 58 3.946 -2.164 -1.256 384 HA THR 58 HA THR 58 5.942 -3.961 -2.306 385 HB THR 58 HB THR 58 3.366 -5.030 -2.785 386 HG1 THR 58 HG1 THR 58 3.319 -4.217 -0.160 387 HG21 THR 58 3HG2 THR 58 5.567 -6.010 -1.810 388 HG22 THR 58 1HG2 THR 58 4.032 -6.622 -1.189 389 HG23 THR 58 2HG2 THR 58 4.952 -5.439 -0.258 390 H GLY 59 H GLY 59 3.788 -1.720 -3.779 391 HA2 GLY 59 HA2 GLY 59 3.872 -1.128 -6.101 392 HA3 GLY 59 HA1 GLY 59 4.682 -2.658 -6.441 393 H GLN 60 H GLN 60 2.702 -4.182 -4.848 394 HA GLN 60 HA GLN 60 0.373 -3.982 -6.708 395 HB2 GLN 60 HB2 GLN 60 2.020 -6.289 -5.829 396 HB3 GLN 60 HB1 GLN 60 0.276 -6.559 -5.841 397 HG2 GLN 60 HG2 GLN 60 1.833 -5.424 -8.180 398 HG3 GLN 60 HG1 GLN 60 1.378 -7.121 -8.025 399 HE21 GLN 60 1HE2 GLN 60 -1.152 -7.330 -7.436 400 HE22 GLN 60 2HE2 GLN 60 -2.177 -6.365 -8.384 401 H SER 61 H SER 61 1.153 -3.048 -3.806 402 HA SER 61 HA SER 61 -1.461 -3.878 -2.622 403 HB2 SER 61 HB2 SER 61 0.779 -4.967 -1.671 404 HB3 SER 61 HB1 SER 61 0.885 -3.431 -0.817 405 HG SER 61 HG SER 61 -0.595 -4.163 0.469 406 H ALA 62 H ALA 62 -2.611 -2.000 -2.507 407 HA ALA 62 HA ALA 62 -1.550 0.611 -2.666 408 HB1 ALA 62 HB1 ALA 62 -3.797 0.810 -2.942 409 HB2 ALA 62 HB2 ALA 62 -3.833 0.989 -1.187 410 HB3 ALA 62 HB3 ALA 62 -4.139 -0.586 -1.921 411 H ASP 63 H ASP 63 -2.199 -1.402 0.187 412 HA ASP 63 HA ASP 63 -1.382 0.733 2.023 413 HB2 ASP 63 HB2 ASP 63 -2.205 -2.146 2.318 414 HB3 ASP 63 HB1 ASP 63 -1.417 -1.316 3.661 415 H CYS 64 H CYS 64 0.708 1.162 2.529 416 HA CYS 64 HA CYS 64 2.857 -0.456 1.454 417 HB2 CYS 64 HB2 CYS 64 3.250 1.904 1.667 418 HB3 CYS 64 HB1 CYS 64 2.814 1.884 3.375 419 HA PRO 65 HA PRO 65 3.066 -3.284 4.797 420 HB2 PRO 65 HB2 PRO 65 5.307 -4.552 3.873 421 HB3 PRO 65 HB1 PRO 65 3.697 -4.843 3.216 422 HG2 PRO 65 HG2 PRO 65 5.981 -3.345 2.042 423 HG3 PRO 65 HG1 PRO 65 4.623 -4.142 1.228 424 HD2 PRO 65 HD2 PRO 65 4.888 -1.364 1.696 425 HD3 PRO 65 HD1 PRO 65 3.418 -2.208 1.167 426 H ARG 66 H ARG 66 4.306 -3.473 6.721 427 HA ARG 66 HA ARG 66 6.170 -1.305 7.269 428 HB2 ARG 66 HB2 ARG 66 4.824 -3.447 8.798 429 HB3 ARG 66 HB1 ARG 66 6.423 -3.005 9.400 430 HG2 ARG 66 HG2 ARG 66 5.432 -0.537 8.983 431 HG3 ARG 66 HG1 ARG 66 3.922 -1.394 9.301 432 HD2 ARG 66 HD2 ARG 66 5.954 -2.223 11.184 433 HD3 ARG 66 HD1 ARG 66 5.781 -0.468 11.209 434 HE ARG 66 HE ARG 66 3.188 -1.708 11.241 435 HH11 ARG 66 1HH1 ARG 66 5.822 -0.519 13.083 436 HH12 ARG 66 2HH1 ARG 66 5.057 -0.784 14.614 437 HH21 ARG 66 1HH2 ARG 66 2.256 -2.308 13.251 438 HH22 ARG 66 2HH2 ARG 66 3.040 -1.798 14.710 439 H ASN 67 H ASN 67 8.132 -1.493 6.224 440 HA ASN 67 HA ASN 67 9.453 -4.148 6.142 441 HB2 ASN 67 HB2 ASN 67 9.318 -2.068 4.313 442 HB3 ASN 67 HB1 ASN 67 10.933 -1.893 5.003 443 HD21 ASN 67 1HD2 ASN 67 8.771 -4.466 3.686 444 HD22 ASN 67 2HD2 ASN 67 10.029 -5.367 2.988 445 H GLY 68 H GLY 68 9.258 -1.735 8.337 446 HA2 GLY 68 HA2 GLY 68 11.930 -1.063 8.997 447 HA3 GLY 68 HA1 GLY 68 10.606 -1.134 10.161 448 H LEU 69 H LEU 69 13.082 -1.941 11.021 449 HA LEU 69 HA LEU 69 12.816 -4.921 11.093 450 HB2 LEU 69 HB2 LEU 69 15.354 -4.774 11.669 451 HB3 LEU 69 HB1 LEU 69 14.862 -4.578 9.987 452 HG LEU 69 HG LEU 69 14.894 -2.096 11.607 453 HD11 LEU 69 1HD1 LEU 69 16.922 -3.132 12.463 454 HD12 LEU 69 2HD1 LEU 69 17.374 -1.879 11.307 455 HD13 LEU 69 3HD1 LEU 69 17.424 -3.577 10.832 456 HD21 LEU 69 3HD2 LEU 69 15.083 -1.171 9.544 457 HD22 LEU 69 1HD2 LEU 69 14.721 -2.785 8.928 458 HD23 LEU 69 2HD2 LEU 69 16.397 -2.257 9.089 459 H TYR 70 H TYR 70 11.320 -3.653 12.907 460 HA TYR 70 HA TYR 70 12.913 -3.262 15.374 461 HB2 TYR 70 HB2 TYR 70 9.927 -2.997 14.909 462 HB3 TYR 70 HB1 TYR 70 10.794 -2.516 16.366 463 HD1 TYR 70 HD2 TYR 70 12.278 -0.568 16.374 464 HD2 TYR 70 HD1 TYR 70 10.130 -1.720 12.837 465 HE1 TYR 70 HE2 TYR 70 12.783 1.634 15.350 466 HE2 TYR 70 HE1 TYR 70 10.635 0.481 11.813 467 HH TYR 70 HH TYR 70 11.698 2.412 12.042 468 H GLY 71 H GLY 71 9.775 -4.898 14.887 469 HA2 GLY 71 HA2 GLY 71 9.765 -7.422 15.119 470 HA3 GLY 71 HA1 GLY 71 10.882 -7.188 16.464 Start of MODEL 5 1 H GLY 1 HT1 GLY 1 -9.365 -10.076 2.443 2 HA2 GLY 1 HA1 GLY 1 -10.839 -10.046 -0.080 3 HA3 GLY 1 HA2 GLY 1 -11.256 -11.288 1.101 4 H LYS 2 H LYS 2 -10.401 -7.803 1.208 5 HA LYS 2 HA LYS 2 -12.344 -7.425 3.396 6 HB2 LYS 2 HB2 LYS 2 -10.086 -5.906 2.239 7 HB3 LYS 2 HB1 LYS 2 -11.441 -4.917 2.782 8 HG2 LYS 2 HG2 LYS 2 -11.378 -6.133 4.975 9 HG3 LYS 2 HG1 LYS 2 -9.918 -6.958 4.425 10 HD2 LYS 2 HD2 LYS 2 -9.335 -4.311 3.901 11 HD3 LYS 2 HD1 LYS 2 -10.254 -4.208 5.404 12 HE2 LYS 2 HE2 LYS 2 -8.528 -6.407 5.733 13 HE3 LYS 2 HE1 LYS 2 -7.546 -5.146 4.990 14 HZ1 LYS 2 HZ1 LYS 2 -9.128 -4.974 7.490 15 HZ2 LYS 2 HZ2 LYS 2 -8.486 -3.610 6.708 16 HZ3 LYS 2 HZ3 LYS 2 -7.449 -4.813 7.310 17 H GLU 3 H GLU 3 -14.119 -5.903 3.217 18 HA GLU 3 HA GLU 3 -15.239 -5.826 0.474 19 HB2 GLU 3 HB2 GLU 3 -16.557 -4.975 3.067 20 HB3 GLU 3 HB1 GLU 3 -17.349 -5.326 1.530 21 HG2 GLU 3 HG2 GLU 3 -16.423 -7.677 1.700 22 HG3 GLU 3 HG1 GLU 3 -15.915 -7.282 3.343 23 H CYS 4 H CYS 4 -13.311 -3.850 2.301 24 HA CYS 4 HA CYS 4 -14.382 -1.451 0.885 25 HB2 CYS 4 HB2 CYS 4 -14.915 -1.294 3.301 26 HB3 CYS 4 HB1 CYS 4 -13.203 -1.490 3.680 27 H ASP 5 H ASP 5 -12.802 -0.129 -0.052 28 HA ASP 5 HA ASP 5 -9.997 -1.148 0.164 29 HB2 ASP 5 HB2 ASP 5 -11.363 -1.266 -2.088 30 HB3 ASP 5 HB1 ASP 5 -10.972 0.452 -2.187 31 H CYS 6 H CYS 6 -12.001 1.405 0.982 32 HA CYS 6 HA CYS 6 -9.650 3.139 1.445 33 HB2 CYS 6 HB2 CYS 6 -10.605 5.072 0.388 34 HB3 CYS 6 HB1 CYS 6 -10.686 3.763 -0.791 35 H SER 7 H SER 7 -9.841 4.242 3.372 36 HA SER 7 HA SER 7 -12.208 3.668 5.015 37 HB2 SER 7 HB2 SER 7 -9.649 3.783 5.712 38 HB3 SER 7 HB1 SER 7 -10.009 5.495 5.913 39 HG SER 7 HG SER 7 -10.373 3.992 7.767 40 H SER 8 H SER 8 -11.896 5.768 2.639 41 HA SER 8 HA SER 8 -13.144 8.027 4.148 42 HB2 SER 8 HB2 SER 8 -11.035 8.602 2.963 43 HB3 SER 8 HB1 SER 8 -11.770 8.093 1.445 44 HG SER 8 HG SER 8 -12.324 10.309 3.073 45 HA PRO 9 HA PRO 9 -16.735 6.697 1.826 46 HB2 PRO 9 HB2 PRO 9 -18.476 8.412 3.085 47 HB3 PRO 9 HB1 PRO 9 -17.947 6.871 3.780 48 HG2 PRO 9 HG2 PRO 9 -17.118 9.642 4.511 49 HG3 PRO 9 HG1 PRO 9 -17.152 8.181 5.511 50 HD2 PRO 9 HD2 PRO 9 -14.849 9.317 4.330 51 HD3 PRO 9 HD1 PRO 9 -14.966 7.687 5.024 52 H GLU 10 H GLU 10 -15.711 10.053 2.319 53 HA GLU 10 HA GLU 10 -17.354 11.119 0.170 54 HB2 GLU 10 HB2 GLU 10 -15.851 13.134 0.430 55 HB3 GLU 10 HB1 GLU 10 -16.652 12.632 1.919 56 HG2 GLU 10 HG2 GLU 10 -14.700 11.819 2.861 57 HG3 GLU 10 HG1 GLU 10 -13.966 11.470 1.295 58 H ASN 11 H ASN 11 -14.483 9.302 0.285 59 HA ASN 11 HA ASN 11 -13.165 10.384 -2.050 60 HB2 ASN 11 HB2 ASN 11 -12.071 8.950 -0.284 61 HB3 ASN 11 HB1 ASN 11 -12.955 7.572 -0.943 62 HD21 ASN 11 1HD2 ASN 11 -10.312 7.186 -1.135 63 HD22 ASN 11 2HD2 ASN 11 -9.717 7.503 -2.692 64 HA PRO 12 HA PRO 12 -16.129 8.518 -4.843 65 HB2 PRO 12 HB2 PRO 12 -15.097 9.695 -7.102 66 HB3 PRO 12 HB1 PRO 12 -16.180 10.525 -5.972 67 HG2 PRO 12 HG2 PRO 12 -13.238 10.853 -6.336 68 HG3 PRO 12 HG1 PRO 12 -14.431 12.018 -5.738 69 HD2 PRO 12 HD2 PRO 12 -12.639 10.518 -4.144 70 HD3 PRO 12 HD1 PRO 12 -14.053 11.420 -3.557 71 H CYS 13 H CYS 13 -12.618 8.382 -5.098 72 HA CYS 13 HA CYS 13 -12.350 6.616 -7.286 73 HB2 CYS 13 HB2 CYS 13 -10.569 7.803 -5.685 74 HB3 CYS 13 HB1 CYS 13 -10.571 6.210 -4.929 75 H CYS 14 H CYS 14 -13.777 6.034 -4.219 76 HA CYS 14 HA CYS 14 -13.798 3.122 -4.867 77 HB2 CYS 14 HB2 CYS 14 -13.830 2.790 -2.306 78 HB3 CYS 14 HB1 CYS 14 -12.287 3.204 -3.052 79 H ASP 15 H ASP 15 -15.835 2.357 -5.024 80 HA ASP 15 HA ASP 15 -18.148 3.937 -4.703 81 HB2 ASP 15 HB2 ASP 15 -17.841 1.619 -5.857 82 HB3 ASP 15 HB1 ASP 15 -18.203 0.957 -4.263 83 H ALA 16 H ALA 16 -18.995 4.758 -2.867 84 HA ALA 16 HA ALA 16 -18.112 3.969 -0.247 85 HB1 ALA 16 HB1 ALA 16 -18.881 6.142 -0.202 86 HB2 ALA 16 HB2 ALA 16 -20.352 5.323 0.324 87 HB3 ALA 16 HB3 ALA 16 -20.172 5.820 -1.358 88 H ALA 17 H ALA 17 -20.954 3.157 -2.202 89 HA ALA 17 HA ALA 17 -22.570 1.911 -0.284 90 HB1 ALA 17 HB1 ALA 17 -22.084 1.482 -3.198 91 HB2 ALA 17 HB2 ALA 17 -23.585 1.869 -2.355 92 HB3 ALA 17 HB3 ALA 17 -22.958 0.220 -2.328 93 H THR 18 H THR 18 -19.994 0.345 -2.220 94 HA THR 18 HA THR 18 -20.015 -1.935 -0.326 95 HB THR 18 HB THR 18 -19.912 -2.606 -2.626 96 HG1 THR 18 HG1 THR 18 -17.779 -3.523 -2.698 97 HG21 THR 18 3HG2 THR 18 -18.224 -0.221 -2.824 98 HG22 THR 18 1HG2 THR 18 -19.206 -1.007 -4.061 99 HG23 THR 18 2HG2 THR 18 -17.580 -1.597 -3.719 100 H CYS 19 H CYS 19 -18.279 0.959 -0.988 101 HA CYS 19 HA CYS 19 -16.546 1.941 0.281 102 HB2 CYS 19 HB2 CYS 19 -17.497 0.272 2.092 103 HB3 CYS 19 HB1 CYS 19 -16.043 -0.650 1.712 104 H LYS 20 H LYS 20 -16.334 -0.110 -2.105 105 HA LYS 20 HA LYS 20 -13.387 -0.571 -1.803 106 HB2 LYS 20 HB2 LYS 20 -15.388 -2.012 -3.570 107 HB3 LYS 20 HB1 LYS 20 -13.651 -2.321 -3.543 108 HG2 LYS 20 HG2 LYS 20 -14.512 -2.396 -0.848 109 HG3 LYS 20 HG1 LYS 20 -15.683 -3.339 -1.770 110 HD2 LYS 20 HD2 LYS 20 -12.692 -3.693 -2.068 111 HD3 LYS 20 HD1 LYS 20 -13.659 -4.634 -0.932 112 HE2 LYS 20 HE2 LYS 20 -14.314 -4.461 -3.882 113 HE3 LYS 20 HE1 LYS 20 -13.275 -5.717 -3.208 114 HZ1 LYS 20 HZ1 LYS 20 -15.804 -5.293 -1.845 115 HZ2 LYS 20 HZ2 LYS 20 -14.997 -6.740 -2.221 116 HZ3 LYS 20 HZ3 LYS 20 -15.916 -5.944 -3.408 117 H LEU 21 H LEU 21 -12.619 -0.915 -4.386 118 HA LEU 21 HA LEU 21 -12.633 1.808 -5.402 119 HB2 LEU 21 HB2 LEU 21 -11.306 -0.759 -6.121 120 HB3 LEU 21 HB1 LEU 21 -11.454 0.454 -7.394 121 HG LEU 21 HG LEU 21 -10.571 1.504 -4.778 122 HD11 LEU 21 1HD1 LEU 21 -9.440 -0.880 -5.403 123 HD12 LEU 21 2HD1 LEU 21 -8.569 0.415 -4.583 124 HD13 LEU 21 3HD1 LEU 21 -8.400 0.202 -6.326 125 HD21 LEU 21 3HD2 LEU 21 -10.683 2.461 -7.308 126 HD22 LEU 21 1HD2 LEU 21 -9.028 1.854 -7.295 127 HD23 LEU 21 2HD2 LEU 21 -9.535 3.058 -6.110 128 H ARG 22 H ARG 22 -14.170 2.638 -6.711 129 HA ARG 22 HA ARG 22 -16.081 0.824 -8.028 130 HB2 ARG 22 HB2 ARG 22 -16.617 3.049 -6.761 131 HB3 ARG 22 HB1 ARG 22 -16.162 3.816 -8.282 132 HG2 ARG 22 HG2 ARG 22 -18.071 1.504 -8.334 133 HG3 ARG 22 HG1 ARG 22 -18.665 3.099 -7.874 134 HD2 ARG 22 HD2 ARG 22 -17.095 3.620 -10.105 135 HD3 ARG 22 HD1 ARG 22 -17.891 2.100 -10.511 136 HE ARG 22 HE ARG 22 -20.056 3.235 -10.184 137 HH11 ARG 22 1HH1 ARG 22 -17.551 5.315 -9.251 138 HH12 ARG 22 2HH1 ARG 22 -18.226 6.725 -9.997 139 HH21 ARG 22 1HH2 ARG 22 -20.798 4.996 -11.553 140 HH22 ARG 22 2HH2 ARG 22 -20.064 6.545 -11.299 141 HA PRO 23 HA PRO 23 -14.284 3.081 -11.840 142 HB2 PRO 23 HB2 PRO 23 -11.974 4.530 -11.490 143 HB3 PRO 23 HB1 PRO 23 -13.600 5.218 -11.339 144 HG2 PRO 23 HG2 PRO 23 -11.643 4.556 -9.199 145 HG3 PRO 23 HG1 PRO 23 -12.969 5.729 -9.183 146 HD2 PRO 23 HD2 PRO 23 -12.982 3.153 -7.986 147 HD3 PRO 23 HD1 PRO 23 -14.381 4.226 -8.192 148 H GLY 24 H GLY 24 -11.863 3.065 -13.022 149 HA2 GLY 24 HA2 GLY 24 -10.952 0.298 -12.625 150 HA3 GLY 24 HA1 GLY 24 -10.455 1.376 -13.928 151 H ALA 25 H ALA 25 -10.287 2.870 -10.878 152 HA ALA 25 HA ALA 25 -7.416 3.115 -11.014 153 HB1 ALA 25 HB1 ALA 25 -8.843 4.823 -9.939 154 HB2 ALA 25 HB2 ALA 25 -7.630 4.212 -8.812 155 HB3 ALA 25 HB3 ALA 25 -9.300 3.659 -8.695 156 H GLN 26 H GLN 26 -6.115 2.499 -8.832 157 HA GLN 26 HA GLN 26 -6.863 -0.330 -8.268 158 HB2 GLN 26 HB2 GLN 26 -4.603 0.721 -9.560 159 HB3 GLN 26 HB1 GLN 26 -4.048 0.289 -7.949 160 HG2 GLN 26 HG2 GLN 26 -3.814 -1.696 -9.269 161 HG3 GLN 26 HG1 GLN 26 -5.267 -1.932 -8.297 162 HE21 GLN 26 1HE2 GLN 26 -4.832 0.031 -11.279 163 HE22 GLN 26 2HE2 GLN 26 -6.015 -0.797 -12.173 164 H CYS 27 H CYS 27 -6.647 2.709 -6.977 165 HA CYS 27 HA CYS 27 -6.745 1.723 -4.240 166 HB2 CYS 27 HB2 CYS 27 -4.775 3.091 -3.507 167 HB3 CYS 27 HB1 CYS 27 -4.337 1.716 -4.523 168 H GLY 28 H GLY 28 -7.757 3.246 -2.925 169 HA2 GLY 28 HA2 GLY 28 -8.563 5.773 -4.274 170 HA3 GLY 28 HA1 GLY 28 -9.426 5.026 -2.931 171 H GLU 29 H GLU 29 -7.158 4.457 -1.325 172 HA GLU 29 HA GLU 29 -5.822 7.050 -0.876 173 HB2 GLU 29 HB2 GLU 29 -6.640 7.334 1.343 174 HB3 GLU 29 HB1 GLU 29 -8.058 7.037 0.347 175 HG2 GLU 29 HG2 GLU 29 -8.581 5.281 1.641 176 HG3 GLU 29 HG1 GLU 29 -7.075 4.499 1.158 177 H GLY 30 H GLY 30 -3.905 6.811 0.411 178 HA2 GLY 30 HA2 GLY 30 -3.055 4.763 2.019 179 HA3 GLY 30 HA1 GLY 30 -2.835 4.081 0.409 180 H LEU 31 H LEU 31 -0.537 4.270 1.666 181 HA LEU 31 HA LEU 31 0.698 6.916 1.244 182 HB2 LEU 31 HB2 LEU 31 1.164 4.879 3.051 183 HB3 LEU 31 HB1 LEU 31 2.473 4.662 1.890 184 HG LEU 31 HG LEU 31 3.150 6.209 3.682 185 HD11 LEU 31 1HD1 LEU 31 3.908 6.517 1.282 186 HD12 LEU 31 2HD1 LEU 31 3.978 7.975 2.273 187 HD13 LEU 31 3HD1 LEU 31 2.660 7.753 1.122 188 HD21 LEU 31 3HD2 LEU 31 1.458 7.449 4.550 189 HD22 LEU 31 1HD2 LEU 31 0.499 7.325 3.074 190 HD23 LEU 31 2HD2 LEU 31 1.762 8.549 3.205 191 H CYS 32 H CYS 32 -0.250 4.905 -0.956 192 HA CYS 32 HA CYS 32 2.096 5.374 -2.680 193 HB2 CYS 32 HB2 CYS 32 1.145 2.612 -2.983 194 HB3 CYS 32 HB1 CYS 32 2.792 3.232 -2.937 195 H CYS 33 H CYS 33 -0.800 6.174 -2.500 196 HA CYS 33 HA CYS 33 -1.778 4.966 -5.041 197 HB2 CYS 33 HB2 CYS 33 -3.266 4.952 -2.992 198 HB3 CYS 33 HB1 CYS 33 -3.358 6.707 -3.135 199 H GLU 34 H GLU 34 -1.312 6.120 -6.819 200 HA GLU 34 HA GLU 34 -1.257 9.107 -6.597 201 HB2 GLU 34 HB2 GLU 34 0.240 7.897 -8.834 202 HB3 GLU 34 HB1 GLU 34 0.711 9.196 -7.741 203 HG2 GLU 34 HG2 GLU 34 0.651 6.281 -6.927 204 HG3 GLU 34 HG1 GLU 34 2.096 7.091 -7.530 205 H GLN 35 H GLN 35 -2.783 10.087 -7.843 206 HA GLN 35 HA GLN 35 -4.400 10.390 -9.521 207 HB2 GLN 35 HB2 GLN 35 -2.904 8.314 -11.126 208 HB3 GLN 35 HB1 GLN 35 -3.809 9.710 -11.713 209 HG2 GLN 35 HG2 GLN 35 -2.146 11.224 -10.701 210 HG3 GLN 35 HG1 GLN 35 -1.240 9.833 -10.106 211 HE21 GLN 35 1HE2 GLN 35 -2.254 11.506 -13.094 212 HE22 GLN 35 2HE2 GLN 35 -1.064 10.807 -14.083 213 H CYS 36 H CYS 36 -4.745 8.371 -7.472 214 HA CYS 36 HA CYS 36 -6.402 6.825 -6.920 215 HB2 CYS 36 HB2 CYS 36 -7.211 7.580 -9.657 216 HB3 CYS 36 HB1 CYS 36 -7.727 6.004 -9.129 217 H LYS 37 H LYS 37 -4.168 6.187 -9.549 218 HA LYS 37 HA LYS 37 -4.510 3.272 -9.264 219 HB2 LYS 37 HB2 LYS 37 -3.040 5.091 -11.126 220 HB3 LYS 37 HB1 LYS 37 -2.371 3.480 -10.863 221 HG2 LYS 37 HG2 LYS 37 -3.815 2.911 -12.542 222 HG3 LYS 37 HG1 LYS 37 -4.983 2.848 -11.222 223 HD2 LYS 37 HD2 LYS 37 -5.935 4.893 -11.779 224 HD3 LYS 37 HD1 LYS 37 -4.468 5.476 -12.567 225 HE2 LYS 37 HE2 LYS 37 -5.977 3.131 -13.703 226 HE3 LYS 37 HE1 LYS 37 -6.483 4.781 -14.065 227 HZ1 LYS 37 HZ1 LYS 37 -4.926 4.792 -15.625 228 HZ2 LYS 37 HZ2 LYS 37 -4.284 3.309 -15.100 229 HZ3 LYS 37 HZ3 LYS 37 -3.756 4.763 -14.397 230 H PHE 38 H PHE 38 -3.142 2.051 -7.984 231 HA PHE 38 HA PHE 38 -1.424 3.624 -6.268 232 HB2 PHE 38 HB2 PHE 38 -0.930 1.501 -5.130 233 HB3 PHE 38 HB1 PHE 38 -2.627 1.828 -5.236 234 HD1 PHE 38 HD1 PHE 38 -0.185 0.235 -7.650 235 HD2 PHE 38 HD2 PHE 38 -3.773 -0.127 -5.332 236 HE1 PHE 38 HE1 PHE 38 -0.579 -1.998 -8.617 237 HE2 PHE 38 HE2 PHE 38 -4.177 -2.365 -6.301 238 HZ PHE 38 HZ PHE 38 -2.577 -3.308 -7.948 239 H SER 39 H SER 39 0.768 3.522 -6.060 240 HA SER 39 HA SER 39 2.241 3.408 -8.502 241 HB2 SER 39 HB2 SER 39 3.853 3.159 -6.065 242 HB3 SER 39 HB1 SER 39 3.854 4.426 -7.287 243 HG SER 39 HG SER 39 2.500 4.251 -4.896 244 H ARG 40 H ARG 40 4.659 2.126 -7.667 245 HA ARG 40 HA ARG 40 3.805 -0.729 -7.876 246 HB2 ARG 40 HB2 ARG 40 5.939 -1.140 -8.982 247 HB3 ARG 40 HB1 ARG 40 5.130 0.206 -9.788 248 HG2 ARG 40 HG2 ARG 40 6.465 1.790 -8.394 249 HG3 ARG 40 HG1 ARG 40 7.332 0.413 -7.712 250 HD2 ARG 40 HD2 ARG 40 8.544 0.063 -9.619 251 HD3 ARG 40 HD1 ARG 40 7.208 0.521 -10.674 252 HE ARG 40 HE ARG 40 9.317 2.265 -9.867 253 HH11 ARG 40 1HH1 ARG 40 7.263 2.663 -12.103 254 HH12 ARG 40 2HH1 ARG 40 6.472 4.108 -11.567 255 HH21 ARG 40 1HH2 ARG 40 7.714 3.906 -8.336 256 HH22 ARG 40 2HH2 ARG 40 6.728 4.812 -9.434 257 H ALA 41 H ALA 41 5.591 -2.245 -6.945 258 HA ALA 41 HA ALA 41 5.887 -1.632 -4.134 259 HB1 ALA 41 HB1 ALA 41 5.849 -3.946 -5.582 260 HB2 ALA 41 HB2 ALA 41 6.451 -3.835 -3.929 261 HB3 ALA 41 HB3 ALA 41 7.579 -3.774 -5.283 262 H GLY 42 H GLY 42 8.193 -1.947 -3.126 263 HA2 GLY 42 HA2 GLY 42 10.405 -1.145 -2.959 264 HA3 GLY 42 HA1 GLY 42 10.443 -1.056 -4.717 265 H LYS 43 H LYS 43 7.841 0.450 -2.968 266 HA LYS 43 HA LYS 43 8.935 3.102 -3.821 267 HB2 LYS 43 HB2 LYS 43 6.890 3.088 -4.838 268 HB3 LYS 43 HB1 LYS 43 6.227 1.901 -3.724 269 HG2 LYS 43 HG2 LYS 43 5.534 3.510 -2.207 270 HG3 LYS 43 HG1 LYS 43 6.796 4.646 -2.676 271 HD2 LYS 43 HD2 LYS 43 5.315 4.350 -5.004 272 HD3 LYS 43 HD1 LYS 43 4.087 4.340 -3.737 273 HE2 LYS 43 HE2 LYS 43 4.986 6.437 -2.822 274 HE3 LYS 43 HE1 LYS 43 6.251 6.444 -4.052 275 HZ1 LYS 43 HZ1 LYS 43 3.606 6.145 -5.132 276 HZ2 LYS 43 HZ2 LYS 43 4.851 7.209 -5.586 277 HZ3 LYS 43 HZ3 LYS 43 3.819 7.606 -4.296 278 H ILE 44 H ILE 44 9.769 4.319 -2.222 279 HA ILE 44 HA ILE 44 9.606 3.672 0.538 280 HB ILE 44 HB ILE 44 11.354 5.132 -0.515 281 HG12 ILE 44 2HG1 ILE 44 11.422 6.760 1.390 282 HG13 ILE 44 1HG1 ILE 44 9.784 6.267 1.823 283 HG21 ILE 44 1HG2 ILE 44 9.517 6.432 -1.787 284 HG22 ILE 44 2HG2 ILE 44 10.863 7.360 -1.125 285 HG23 ILE 44 3HG2 ILE 44 9.311 7.337 -0.287 286 HD11 ILE 44 3HD1 ILE 44 12.013 5.099 2.843 287 HD12 ILE 44 1HD1 ILE 44 11.724 4.061 1.448 288 HD13 ILE 44 2HD1 ILE 44 10.470 4.263 2.671 289 H CYS 45 H CYS 45 7.930 3.915 1.904 290 HA CYS 45 HA CYS 45 5.721 5.766 1.145 291 HB2 CYS 45 HB2 CYS 45 5.178 4.247 3.546 292 HB3 CYS 45 HB1 CYS 45 4.310 4.238 2.017 293 H ARG 46 H ARG 46 8.174 5.127 3.542 294 HA ARG 46 HA ARG 46 7.933 7.841 4.573 295 HB2 ARG 46 HB2 ARG 46 6.172 6.764 5.893 296 HB3 ARG 46 HB1 ARG 46 7.291 5.489 6.379 297 HG2 ARG 46 HG2 ARG 46 8.629 7.009 7.643 298 HG3 ARG 46 HG1 ARG 46 7.831 8.413 6.933 299 HD2 ARG 46 HD2 ARG 46 6.792 6.496 9.002 300 HD3 ARG 46 HD1 ARG 46 6.774 8.259 9.013 301 HE ARG 46 HE ARG 46 5.059 7.984 7.081 302 HH11 ARG 46 1HH1 ARG 46 5.037 6.638 10.158 303 HH12 ARG 46 2HH1 ARG 46 3.672 5.606 9.889 304 HH21 ARG 46 1HH2 ARG 46 3.516 6.254 6.486 305 HH22 ARG 46 2HH2 ARG 46 2.813 5.388 7.811 306 H ILE 47 H ILE 47 9.762 8.365 5.984 307 HA ILE 47 HA ILE 47 12.136 6.806 5.300 308 HB ILE 47 HB ILE 47 12.156 9.300 5.472 309 HG12 ILE 47 2HG1 ILE 47 14.239 9.402 6.928 310 HG13 ILE 47 1HG1 ILE 47 13.949 7.707 7.325 311 HG21 ILE 47 1HG2 ILE 47 12.253 9.101 8.445 312 HG22 ILE 47 2HG2 ILE 47 10.664 9.009 7.687 313 HG23 ILE 47 3HG2 ILE 47 11.684 10.423 7.426 314 HD11 ILE 47 3HD1 ILE 47 15.243 8.770 5.016 315 HD12 ILE 47 1HD1 ILE 47 13.741 8.014 4.485 316 HD13 ILE 47 2HD1 ILE 47 14.924 7.079 5.398 317 H ALA 48 H ALA 48 13.398 5.573 6.744 318 HA ALA 48 HA ALA 48 11.972 4.316 8.922 319 HB1 ALA 48 HB1 ALA 48 14.562 3.597 9.350 320 HB2 ALA 48 HB2 ALA 48 14.638 4.069 7.653 321 HB3 ALA 48 HB3 ALA 48 13.515 2.811 8.168 322 H ARG 49 H ARG 49 12.475 4.458 11.186 323 HA ARG 49 HA ARG 49 13.550 7.120 11.956 324 HB2 ARG 49 HB2 ARG 49 11.874 5.061 13.410 325 HB3 ARG 49 HB1 ARG 49 12.570 6.461 14.225 326 HG2 ARG 49 HG2 ARG 49 11.395 7.974 12.699 327 HG3 ARG 49 HG1 ARG 49 10.743 6.597 11.807 328 HD2 ARG 49 HD2 ARG 49 10.100 6.107 14.501 329 HD3 ARG 49 HD1 ARG 49 9.761 7.819 14.245 330 HE ARG 49 HE ARG 49 8.601 6.634 12.049 331 HH11 ARG 49 1HH1 ARG 49 7.075 7.790 14.428 332 HH12 ARG 49 2HH1 ARG 49 6.082 6.442 14.874 333 HH21 ARG 49 1HH2 ARG 49 7.931 4.140 13.055 334 HH22 ARG 49 2HH2 ARG 49 6.566 4.377 14.095 335 H GLY 50 H GLY 50 15.809 6.515 11.658 336 HA2 GLY 50 HA2 GLY 50 17.425 6.033 13.715 337 HA3 GLY 50 HA1 GLY 50 16.833 4.391 13.460 338 H ASP 51 H ASP 51 17.872 3.165 11.939 339 HA ASP 51 HA ASP 51 19.210 4.404 9.647 340 HB2 ASP 51 HB2 ASP 51 20.689 3.596 12.071 341 HB3 ASP 51 HB1 ASP 51 21.337 2.942 10.567 342 H TRP 52 H TRP 52 17.120 2.582 9.704 343 HA TRP 52 HA TRP 52 18.465 0.124 8.667 344 HB2 TRP 52 HB2 TRP 52 16.244 -1.011 9.501 345 HB3 TRP 52 HB1 TRP 52 17.556 -0.723 10.642 346 HD1 TRP 52 HD TRP 52 14.641 1.453 9.291 347 HE1 TRP 52 HE1 TRP 52 13.538 2.638 11.297 348 HE3 TRP 52 HE3 TRP 52 17.515 -0.385 13.093 349 HZ2 TRP 52 HZ2 TRP 52 13.835 2.786 14.138 350 HZ3 TRP 52 HZ3 TRP 52 17.085 0.296 15.435 351 HH2 TRP 52 HH TRP 52 15.248 1.877 15.963 352 H ASN 53 H ASN 53 16.382 -1.185 7.554 353 HA ASN 53 HA ASN 53 15.867 0.155 5.140 354 HB2 ASN 53 HB2 ASN 53 14.312 -2.029 6.546 355 HB3 ASN 53 HB1 ASN 53 13.921 -1.474 4.917 356 HD21 ASN 53 1HD2 ASN 53 14.756 -4.143 5.258 357 HD22 ASN 53 2HD2 ASN 53 16.311 -4.336 4.606 358 H ASP 54 H ASP 54 14.148 1.439 4.393 359 HA ASP 54 HA ASP 54 12.657 2.861 6.506 360 HB2 ASP 54 HB2 ASP 54 12.512 3.370 3.533 361 HB3 ASP 54 HB1 ASP 54 12.195 4.502 4.848 362 H ASP 55 H ASP 55 10.504 3.459 4.408 363 HA ASP 55 HA ASP 55 8.956 0.938 4.851 364 HB2 ASP 55 HB2 ASP 55 8.343 3.616 5.494 365 HB3 ASP 55 HB1 ASP 55 7.334 3.218 4.104 366 H ARG 56 H ARG 56 8.874 -0.225 2.981 367 HA ARG 56 HA ARG 56 8.829 1.257 0.389 368 HB2 ARG 56 HB2 ARG 56 10.424 -0.827 1.215 369 HB3 ARG 56 HB1 ARG 56 9.150 -1.667 0.331 370 HG2 ARG 56 HG2 ARG 56 10.970 -1.045 -1.189 371 HG3 ARG 56 HG1 ARG 56 9.504 -0.153 -1.593 372 HD2 ARG 56 HD2 ARG 56 11.667 1.208 -1.518 373 HD3 ARG 56 HD1 ARG 56 10.317 1.839 -0.580 374 HE ARG 56 HE ARG 56 11.434 1.046 1.450 375 HH11 ARG 56 1HH1 ARG 56 13.461 2.511 -0.498 376 HH12 ARG 56 2HH1 ARG 56 14.873 1.558 -0.186 377 HH21 ARG 56 1HH2 ARG 56 13.137 -0.970 1.431 378 HH22 ARG 56 2HH2 ARG 56 14.690 -0.410 0.906 379 H CYS 57 H CYS 57 6.965 1.286 -0.724 380 HA CYS 57 HA CYS 57 4.594 -0.022 0.270 381 HB2 CYS 57 HB2 CYS 57 5.245 1.526 -2.233 382 HB3 CYS 57 HB1 CYS 57 3.673 0.765 -2.012 383 H THR 58 H THR 58 3.434 -1.727 -0.717 384 HA THR 58 HA THR 58 5.070 -3.829 -1.849 385 HB THR 58 HB THR 58 2.429 -4.603 -2.190 386 HG1 THR 58 HG1 THR 58 1.617 -3.900 -0.048 387 HG21 THR 58 3HG2 THR 58 4.220 -4.829 0.244 388 HG22 THR 58 1HG2 THR 58 4.175 -5.936 -1.129 389 HG23 THR 58 2HG2 THR 58 2.788 -5.818 -0.047 390 H GLY 59 H GLY 59 3.107 -1.285 -3.132 391 HA2 GLY 59 HA2 GLY 59 3.213 -0.628 -5.452 392 HA3 GLY 59 HA1 GLY 59 3.712 -2.270 -5.862 393 H GLN 60 H GLN 60 1.458 -3.225 -3.983 394 HA GLN 60 HA GLN 60 -0.764 -2.755 -5.931 395 HB2 GLN 60 HB2 GLN 60 -1.524 -5.090 -5.058 396 HB3 GLN 60 HB1 GLN 60 -0.207 -5.019 -6.229 397 HG2 GLN 60 HG2 GLN 60 1.449 -5.267 -4.499 398 HG3 GLN 60 HG1 GLN 60 0.235 -5.068 -3.234 399 HE21 GLN 60 1HE2 GLN 60 2.059 -7.445 -3.942 400 HE22 GLN 60 2HE2 GLN 60 0.990 -8.758 -4.079 401 H SER 61 H SER 61 0.254 -2.563 -2.660 402 HA SER 61 HA SER 61 -2.589 -2.334 -1.763 403 HB2 SER 61 HB2 SER 61 -1.723 -3.779 -0.211 404 HB3 SER 61 HB1 SER 61 -0.072 -3.212 -0.452 405 HG SER 61 HG SER 61 -2.118 -1.713 0.828 406 H ALA 62 H ALA 62 -3.211 -0.220 -1.965 407 HA ALA 62 HA ALA 62 -1.595 2.062 -2.048 408 HB1 ALA 62 HB1 ALA 62 -4.296 1.624 -2.093 409 HB2 ALA 62 HB2 ALA 62 -3.558 3.223 -1.998 410 HB3 ALA 62 HB3 ALA 62 -4.108 2.417 -0.529 411 H ASP 63 H ASP 63 -2.836 0.327 0.783 412 HA ASP 63 HA ASP 63 -1.674 2.251 2.661 413 HB2 ASP 63 HB2 ASP 63 -2.789 -0.539 3.103 414 HB3 ASP 63 HB1 ASP 63 -2.346 0.594 4.381 415 H CYS 64 H CYS 64 0.543 2.332 2.506 416 HA CYS 64 HA CYS 64 2.280 0.259 1.766 417 HB2 CYS 64 HB2 CYS 64 3.081 2.537 1.932 418 HB3 CYS 64 HB1 CYS 64 2.769 2.564 3.668 419 HA PRO 65 HA PRO 65 2.079 -2.495 5.168 420 HB2 PRO 65 HB2 PRO 65 4.115 -4.093 4.273 421 HB3 PRO 65 HB1 PRO 65 2.480 -4.165 3.619 422 HG2 PRO 65 HG2 PRO 65 4.952 -3.027 2.421 423 HG3 PRO 65 HG1 PRO 65 3.498 -3.650 1.621 424 HD2 PRO 65 HD2 PRO 65 4.134 -0.927 2.010 425 HD3 PRO 65 HD1 PRO 65 2.552 -1.576 1.529 426 H ARG 66 H ARG 66 4.242 -3.748 6.317 427 HA ARG 66 HA ARG 66 5.863 -1.441 7.299 428 HB2 ARG 66 HB2 ARG 66 4.505 -3.604 8.628 429 HB3 ARG 66 HB1 ARG 66 6.233 -3.708 8.967 430 HG2 ARG 66 HG2 ARG 66 5.553 -0.963 9.121 431 HG3 ARG 66 HG1 ARG 66 4.308 -1.839 10.014 432 HD2 ARG 66 HD2 ARG 66 6.917 -2.948 10.590 433 HD3 ARG 66 HD1 ARG 66 6.906 -1.213 10.906 434 HE ARG 66 HE ARG 66 5.397 -1.595 12.689 435 HH11 ARG 66 1HH2 ARG 66 6.787 -4.419 12.395 436 HH12 ARG 66 2HH2 ARG 66 5.404 -5.433 12.639 437 HH21 ARG 66 1HH1 ARG 66 3.116 -2.858 12.237 438 HH22 ARG 66 2HH1 ARG 66 3.326 -4.550 12.548 439 H ASN 67 H ASN 67 7.894 -1.378 6.483 440 HA ASN 67 HA ASN 67 9.143 -3.952 5.628 441 HB2 ASN 67 HB2 ASN 67 8.842 -2.035 3.960 442 HB3 ASN 67 HB1 ASN 67 10.069 -1.171 4.887 443 HD21 ASN 67 1HD2 ASN 67 9.582 -3.595 2.467 444 HD22 ASN 67 2HD2 ASN 67 11.199 -4.091 2.332 445 H GLY 68 H GLY 68 9.199 -1.704 8.123 446 HA2 GLY 68 HA2 GLY 68 12.019 -1.540 8.655 447 HA3 GLY 68 HA1 GLY 68 10.741 -1.271 9.842 448 H LEU 69 H LEU 69 12.370 -2.491 11.236 449 HA LEU 69 HA LEU 69 11.987 -5.438 10.885 450 HB2 LEU 69 HB2 LEU 69 14.129 -5.369 12.498 451 HB3 LEU 69 HB1 LEU 69 14.283 -5.318 10.742 452 HG LEU 69 HG LEU 69 13.942 -2.758 12.277 453 HD11 LEU 69 1HD1 LEU 69 16.000 -2.840 13.197 454 HD12 LEU 69 2HD1 LEU 69 16.717 -3.384 11.681 455 HD13 LEU 69 3HD1 LEU 69 16.027 -4.559 12.801 456 HD21 LEU 69 3HD2 LEU 69 14.634 -1.786 10.318 457 HD22 LEU 69 1HD2 LEU 69 14.057 -3.302 9.624 458 HD23 LEU 69 2HD2 LEU 69 15.774 -3.083 9.959 459 H TYR 70 H TYR 70 9.974 -4.154 12.151 460 HA TYR 70 HA TYR 70 10.537 -4.303 15.069 461 HB2 TYR 70 HB2 TYR 70 7.967 -3.418 13.740 462 HB3 TYR 70 HB1 TYR 70 8.502 -3.086 15.388 463 HD1 TYR 70 HD1 TYR 70 11.392 -2.447 14.821 464 HD2 TYR 70 HD2 TYR 70 7.777 -1.206 12.862 465 HE1 TYR 70 HE1 TYR 70 12.525 -0.384 14.040 466 HE2 TYR 70 HE2 TYR 70 8.909 0.858 12.082 467 HH TYR 70 HH TYR 70 11.846 1.326 11.739 468 H GLY 71 H GLY 71 9.065 -5.563 16.431 469 HA2 GLY 71 HA2 GLY 71 8.328 -8.101 15.149 470 HA3 GLY 71 HA1 GLY 71 8.260 -7.755 16.877 Start of MODEL 6 1 H GLY 1 HT1 GLY 1 -14.397 -11.780 2.939 2 HA2 GLY 1 HA1 GLY 1 -14.014 -9.747 2.108 3 HA3 GLY 1 HA2 GLY 1 -14.985 -10.352 0.765 4 H LYS 2 H LYS 2 -14.683 -7.711 2.593 5 HA LYS 2 HA LYS 2 -17.571 -7.272 3.097 6 HB2 LYS 2 HB2 LYS 2 -15.185 -5.479 3.652 7 HB3 LYS 2 HB1 LYS 2 -16.839 -5.197 4.197 8 HG2 LYS 2 HG2 LYS 2 -15.045 -7.514 4.975 9 HG3 LYS 2 HG1 LYS 2 -15.597 -6.206 6.023 10 HD2 LYS 2 HD2 LYS 2 -17.989 -7.077 5.167 11 HD3 LYS 2 HD1 LYS 2 -17.085 -8.584 5.015 12 HE2 LYS 2 HE2 LYS 2 -16.599 -8.678 7.305 13 HE3 LYS 2 HE1 LYS 2 -16.874 -6.950 7.532 14 HZ1 LYS 2 HZ1 LYS 2 -18.858 -7.616 8.283 15 HZ2 LYS 2 HZ2 LYS 2 -18.763 -9.136 7.530 16 HZ3 LYS 2 HZ3 LYS 2 -19.263 -7.776 6.643 17 H GLU 3 H GLU 3 -18.590 -5.286 2.245 18 HA GLU 3 HA GLU 3 -17.744 -4.799 -0.551 19 HB2 GLU 3 HB2 GLU 3 -19.921 -3.715 -0.797 20 HB3 GLU 3 HB1 GLU 3 -20.138 -5.277 -0.006 21 HG2 GLU 3 HG2 GLU 3 -19.632 -3.034 1.842 22 HG3 GLU 3 HG1 GLU 3 -21.147 -2.918 0.949 23 H CYS 4 H CYS 4 -16.231 -3.697 1.767 24 HA CYS 4 HA CYS 4 -16.433 -0.830 0.969 25 HB2 CYS 4 HB2 CYS 4 -16.062 -1.986 3.741 26 HB3 CYS 4 HB1 CYS 4 -15.671 -0.312 3.357 27 H ASP 5 H ASP 5 -14.752 -1.274 -0.529 28 HA ASP 5 HA ASP 5 -12.215 -2.418 0.267 29 HB2 ASP 5 HB2 ASP 5 -13.203 -2.243 -2.108 30 HB3 ASP 5 HB1 ASP 5 -12.653 -0.567 -2.083 31 H CYS 6 H CYS 6 -13.653 0.692 0.590 32 HA CYS 6 HA CYS 6 -10.992 1.814 1.374 33 HB2 CYS 6 HB2 CYS 6 -11.838 4.025 0.708 34 HB3 CYS 6 HB1 CYS 6 -11.912 2.905 -0.653 35 H SER 7 H SER 7 -11.273 3.639 3.027 36 HA SER 7 HA SER 7 -13.489 2.935 4.910 37 HB2 SER 7 HB2 SER 7 -11.466 4.104 6.430 38 HB3 SER 7 HB1 SER 7 -11.841 2.384 6.349 39 HG SER 7 HG SER 7 -9.607 3.305 5.740 40 H SER 8 H SER 8 -12.518 5.259 2.825 41 HA SER 8 HA SER 8 -13.348 7.497 4.614 42 HB2 SER 8 HB2 SER 8 -11.738 7.417 2.062 43 HB3 SER 8 HB1 SER 8 -12.426 8.917 2.679 44 HG SER 8 HG SER 8 -11.348 8.124 4.745 45 HA PRO 9 HA PRO 9 -17.118 7.277 2.213 46 HB2 PRO 9 HB2 PRO 9 -18.454 9.172 3.694 47 HB3 PRO 9 HB1 PRO 9 -18.275 7.481 4.198 48 HG2 PRO 9 HG2 PRO 9 -16.871 9.905 5.227 49 HG3 PRO 9 HG1 PRO 9 -17.223 8.376 6.050 50 HD2 PRO 9 HD2 PRO 9 -14.726 9.128 4.957 51 HD3 PRO 9 HD1 PRO 9 -15.188 7.491 5.468 52 H GLU 10 H GLU 10 -14.771 9.589 2.206 53 HA GLU 10 HA GLU 10 -16.314 11.295 0.297 54 HB2 GLU 10 HB2 GLU 10 -14.365 12.161 2.447 55 HB3 GLU 10 HB1 GLU 10 -14.851 13.209 1.113 56 HG2 GLU 10 HG2 GLU 10 -16.806 13.693 2.119 57 HG3 GLU 10 HG1 GLU 10 -17.171 11.980 2.339 58 H ASN 11 H ASN 11 -14.607 9.010 -0.274 59 HA ASN 11 HA ASN 11 -12.217 10.340 -1.463 60 HB2 ASN 11 HB2 ASN 11 -12.350 8.052 0.022 61 HB3 ASN 11 HB1 ASN 11 -12.448 7.395 -1.612 62 HD21 ASN 11 1HD2 ASN 11 -10.218 6.508 -1.204 63 HD22 ASN 11 2HD2 ASN 11 -8.877 7.533 -1.378 64 HA PRO 12 HA PRO 12 -14.208 9.861 -5.397 65 HB2 PRO 12 HB2 PRO 12 -12.037 10.572 -6.926 66 HB3 PRO 12 HB1 PRO 12 -13.043 11.743 -6.056 67 HG2 PRO 12 HG2 PRO 12 -10.303 10.769 -5.397 68 HG3 PRO 12 HG1 PRO 12 -11.077 12.306 -4.980 69 HD2 PRO 12 HD2 PRO 12 -10.746 10.090 -3.247 70 HD3 PRO 12 HD1 PRO 12 -11.789 11.498 -2.958 71 H CYS 13 H CYS 13 -10.939 8.521 -4.899 72 HA CYS 13 HA CYS 13 -10.909 6.681 -7.056 73 HB2 CYS 13 HB2 CYS 13 -9.702 6.361 -4.289 74 HB3 CYS 13 HB1 CYS 13 -9.241 5.440 -5.718 75 H CYS 14 H CYS 14 -12.475 6.547 -3.919 76 HA CYS 14 HA CYS 14 -13.550 3.845 -4.631 77 HB2 CYS 14 HB2 CYS 14 -12.256 3.644 -2.628 78 HB3 CYS 14 HB1 CYS 14 -12.943 5.120 -1.953 79 H ASP 15 H ASP 15 -15.793 3.471 -3.968 80 HA ASP 15 HA ASP 15 -17.441 5.910 -4.302 81 HB2 ASP 15 HB2 ASP 15 -17.755 3.659 -5.582 82 HB3 ASP 15 HB1 ASP 15 -18.495 3.096 -4.080 83 H ALA 16 H ALA 16 -18.303 6.869 -2.518 84 HA ALA 16 HA ALA 16 -17.979 5.812 0.121 85 HB1 ALA 16 HB1 ALA 16 -18.358 8.257 -0.585 86 HB2 ALA 16 HB2 ALA 16 -19.196 7.711 0.868 87 HB3 ALA 16 HB3 ALA 16 -20.073 7.847 -0.656 88 H ALA 17 H ALA 17 -20.616 5.604 -2.217 89 HA ALA 17 HA ALA 17 -22.612 4.613 -0.413 90 HB1 ALA 17 HB1 ALA 17 -22.260 4.120 -3.386 91 HB2 ALA 17 HB2 ALA 17 -23.194 5.424 -2.653 92 HB3 ALA 17 HB3 ALA 17 -23.717 3.751 -2.465 93 H THR 18 H THR 18 -20.699 2.759 -2.817 94 HA THR 18 HA THR 18 -21.165 0.320 -1.199 95 HB THR 18 HB THR 18 -21.497 0.220 -3.660 96 HG1 THR 18 HG1 THR 18 -20.852 -1.658 -2.628 97 HG21 THR 18 3HG2 THR 18 -19.991 1.709 -4.625 98 HG22 THR 18 1HG2 THR 18 -19.195 0.166 -4.935 99 HG23 THR 18 2HG2 THR 18 -18.657 1.183 -3.599 100 H CYS 19 H CYS 19 -19.189 2.687 -0.705 101 HA CYS 19 HA CYS 19 -16.891 2.967 -0.167 102 HB2 CYS 19 HB2 CYS 19 -16.293 0.996 1.524 103 HB3 CYS 19 HB1 CYS 19 -17.391 2.292 1.967 104 H LYS 20 H LYS 20 -17.079 1.625 -2.684 105 HA LYS 20 HA LYS 20 -14.627 -0.066 -2.440 106 HB2 LYS 20 HB2 LYS 20 -17.132 -0.718 -4.008 107 HB3 LYS 20 HB1 LYS 20 -15.581 -1.505 -4.304 108 HG2 LYS 20 HG2 LYS 20 -15.569 -2.565 -2.212 109 HG3 LYS 20 HG1 LYS 20 -16.708 -1.416 -1.513 110 HD2 LYS 20 HD2 LYS 20 -18.032 -3.326 -1.858 111 HD3 LYS 20 HD1 LYS 20 -18.376 -2.345 -3.284 112 HE2 LYS 20 HE2 LYS 20 -16.025 -4.065 -3.617 113 HE3 LYS 20 HE1 LYS 20 -17.509 -4.972 -3.329 114 HZ1 LYS 20 HZ1 LYS 20 -18.215 -2.990 -5.084 115 HZ2 LYS 20 HZ2 LYS 20 -17.977 -4.631 -5.455 116 HZ3 LYS 20 HZ3 LYS 20 -16.705 -3.522 -5.643 117 H LEU 21 H LEU 21 -13.668 -0.381 -4.774 118 HA LEU 21 HA LEU 21 -13.020 2.190 -5.807 119 HB2 LEU 21 HB2 LEU 21 -12.644 -0.626 -6.759 120 HB3 LEU 21 HB1 LEU 21 -12.315 0.698 -7.878 121 HG LEU 21 HG LEU 21 -11.192 1.123 -5.197 122 HD11 LEU 21 1HD1 LEU 21 -10.984 -1.385 -5.516 123 HD12 LEU 21 2HD1 LEU 21 -9.457 -0.525 -5.324 124 HD13 LEU 21 3HD1 LEU 21 -9.981 -1.044 -6.927 125 HD21 LEU 21 3HD2 LEU 21 -10.689 1.749 -7.976 126 HD22 LEU 21 1HD2 LEU 21 -9.225 1.121 -7.219 127 HD23 LEU 21 2HD2 LEU 21 -10.040 2.526 -6.531 128 H ARG 22 H ARG 22 -14.305 3.534 -6.974 129 HA ARG 22 HA ARG 22 -16.714 2.472 -8.274 130 HB2 ARG 22 HB2 ARG 22 -16.026 4.928 -7.124 131 HB3 ARG 22 HB1 ARG 22 -16.154 5.263 -8.852 132 HG2 ARG 22 HG2 ARG 22 -18.305 3.524 -8.099 133 HG3 ARG 22 HG1 ARG 22 -18.275 4.897 -6.992 134 HD2 ARG 22 HD2 ARG 22 -18.003 6.346 -9.124 135 HD3 ARG 22 HD1 ARG 22 -18.551 4.914 -9.994 136 HE ARG 22 HE ARG 22 -20.671 5.058 -8.725 137 HH11 ARG 22 1HH1 ARG 22 -19.053 7.002 -6.769 138 HH12 ARG 22 2HH1 ARG 22 -19.980 8.443 -7.017 139 HH21 ARG 22 1HH2 ARG 22 -21.628 7.219 -9.812 140 HH22 ARG 22 2HH2 ARG 22 -21.439 8.567 -8.740 141 HA PRO 23 HA PRO 23 -14.462 4.040 -12.166 142 HB2 PRO 23 HB2 PRO 23 -11.922 5.048 -11.878 143 HB3 PRO 23 HB1 PRO 23 -13.386 6.041 -11.761 144 HG2 PRO 23 HG2 PRO 23 -11.577 5.104 -9.587 145 HG3 PRO 23 HG1 PRO 23 -12.637 6.522 -9.630 146 HD2 PRO 23 HD2 PRO 23 -13.168 4.072 -8.301 147 HD3 PRO 23 HD1 PRO 23 -14.328 5.385 -8.589 148 H GLY 24 H GLY 24 -12.370 3.313 -13.482 149 HA2 GLY 24 HA2 GLY 24 -11.850 0.538 -12.738 150 HA3 GLY 24 HA1 GLY 24 -11.238 1.356 -14.176 151 H ALA 25 H ALA 25 -10.872 1.797 -10.637 152 HA ALA 25 HA ALA 25 -7.955 2.201 -11.115 153 HB1 ALA 25 HB1 ALA 25 -8.130 3.907 -9.664 154 HB2 ALA 25 HB2 ALA 25 -8.737 2.812 -8.422 155 HB3 ALA 25 HB3 ALA 25 -9.861 3.598 -9.531 156 H GLN 26 H GLN 26 -6.482 1.245 -9.469 157 HA GLN 26 HA GLN 26 -7.241 -1.517 -8.915 158 HB2 GLN 26 HB2 GLN 26 -4.809 -0.003 -9.129 159 HB3 GLN 26 HB1 GLN 26 -4.819 -0.851 -7.581 160 HG2 GLN 26 HG2 GLN 26 -4.460 -2.825 -8.597 161 HG3 GLN 26 HG1 GLN 26 -5.835 -2.567 -9.663 162 HE21 GLN 26 1HE2 GLN 26 -5.412 -1.316 -11.700 163 HE22 GLN 26 2HE2 GLN 26 -3.845 -1.286 -12.351 164 H CYS 27 H CYS 27 -6.180 1.207 -6.853 165 HA CYS 27 HA CYS 27 -7.776 -0.032 -4.650 166 HB2 CYS 27 HB2 CYS 27 -5.667 -0.382 -3.798 167 HB3 CYS 27 HB1 CYS 27 -4.954 0.924 -4.736 168 H GLY 28 H GLY 28 -8.709 1.504 -3.155 169 HA2 GLY 28 HA2 GLY 28 -9.285 4.117 -4.430 170 HA3 GLY 28 HA1 GLY 28 -10.213 3.393 -3.123 171 H GLU 29 H GLU 29 -7.962 2.692 -1.512 172 HA GLU 29 HA GLU 29 -6.576 5.243 -0.985 173 HB2 GLU 29 HB2 GLU 29 -7.326 5.259 1.351 174 HB3 GLU 29 HB1 GLU 29 -8.694 5.397 0.261 175 HG2 GLU 29 HG2 GLU 29 -9.605 3.574 1.201 176 HG3 GLU 29 HG1 GLU 29 -8.225 2.626 0.645 177 H GLY 30 H GLY 30 -4.591 4.908 0.084 178 HA2 GLY 30 HA2 GLY 30 -3.741 2.860 1.713 179 HA3 GLY 30 HA1 GLY 30 -3.616 2.150 0.104 180 H LEU 31 H LEU 31 -1.383 2.710 1.852 181 HA LEU 31 HA LEU 31 -0.046 5.147 1.200 182 HB2 LEU 31 HB2 LEU 31 0.696 2.527 2.368 183 HB3 LEU 31 HB1 LEU 31 2.016 3.420 1.613 184 HG LEU 31 HG LEU 31 1.602 5.348 3.000 185 HD11 LEU 31 1HD1 LEU 31 -0.569 5.740 3.506 186 HD12 LEU 31 2HD1 LEU 31 -0.333 4.624 4.851 187 HD13 LEU 31 3HD1 LEU 31 -0.998 4.039 3.326 188 HD21 LEU 31 3HD2 LEU 31 1.239 3.439 5.181 189 HD22 LEU 31 1HD2 LEU 31 2.649 4.419 4.777 190 HD23 LEU 31 2HD2 LEU 31 2.402 2.862 3.986 191 H CYS 32 H CYS 32 -0.534 2.216 -0.599 192 HA CYS 32 HA CYS 32 1.466 3.139 -2.619 193 HB2 CYS 32 HB2 CYS 32 1.070 0.614 -1.485 194 HB3 CYS 32 HB1 CYS 32 0.350 0.492 -3.091 195 H CYS 33 H CYS 33 -1.357 4.107 -2.219 196 HA CYS 33 HA CYS 33 -2.521 3.204 -4.814 197 HB2 CYS 33 HB2 CYS 33 -3.904 4.718 -2.583 198 HB3 CYS 33 HB1 CYS 33 -4.663 3.962 -3.985 199 H GLU 34 H GLU 34 -1.574 4.568 -6.309 200 HA GLU 34 HA GLU 34 -1.643 7.496 -5.747 201 HB2 GLU 34 HB2 GLU 34 0.402 5.895 -6.725 202 HB3 GLU 34 HB1 GLU 34 -0.256 6.640 -8.182 203 HG2 GLU 34 HG2 GLU 34 0.443 8.727 -7.588 204 HG3 GLU 34 HG1 GLU 34 0.077 8.471 -5.882 205 H GLN 35 H GLN 35 -3.225 8.633 -6.759 206 HA GLN 35 HA GLN 35 -4.890 9.196 -8.309 207 HB2 GLN 35 HB2 GLN 35 -2.739 8.762 -9.807 208 HB3 GLN 35 HB1 GLN 35 -3.673 7.365 -10.343 209 HG2 GLN 35 HG2 GLN 35 -5.606 9.207 -10.518 210 HG3 GLN 35 HG1 GLN 35 -4.218 10.273 -10.736 211 HE21 GLN 35 1HE2 GLN 35 -6.285 8.072 -12.356 212 HE22 GLN 35 2HE2 GLN 35 -5.375 7.904 -13.778 213 H CYS 36 H CYS 36 -5.199 6.850 -6.567 214 HA CYS 36 HA CYS 36 -6.925 5.270 -6.273 215 HB2 CYS 36 HB2 CYS 36 -7.692 5.634 -9.168 216 HB3 CYS 36 HB1 CYS 36 -8.717 5.172 -7.805 217 H LYS 37 H LYS 37 -4.225 5.001 -7.999 218 HA LYS 37 HA LYS 37 -4.783 2.154 -8.738 219 HB2 LYS 37 HB2 LYS 37 -2.925 4.131 -10.094 220 HB3 LYS 37 HB1 LYS 37 -3.019 2.415 -10.487 221 HG2 LYS 37 HG2 LYS 37 -5.049 2.625 -11.534 222 HG3 LYS 37 HG1 LYS 37 -5.590 3.908 -10.452 223 HD2 LYS 37 HD2 LYS 37 -5.175 4.705 -12.791 224 HD3 LYS 37 HD1 LYS 37 -4.182 5.531 -11.590 225 HE2 LYS 37 HE2 LYS 37 -2.282 4.093 -12.113 226 HE3 LYS 37 HE1 LYS 37 -3.266 3.156 -13.237 227 HZ1 LYS 37 HZ1 LYS 37 -3.628 5.672 -14.115 228 HZ2 LYS 37 HZ2 LYS 37 -2.488 4.583 -14.748 229 HZ3 LYS 37 HZ3 LYS 37 -2.018 5.733 -13.587 230 H PHE 38 H PHE 38 -2.575 0.902 -8.816 231 HA PHE 38 HA PHE 38 -1.335 1.232 -6.193 232 HB2 PHE 38 HB2 PHE 38 -0.830 -0.664 -8.498 233 HB3 PHE 38 HB1 PHE 38 0.118 -0.698 -7.016 234 HD1 PHE 38 HD1 PHE 38 -2.348 0.122 -5.214 235 HD2 PHE 38 HD2 PHE 38 -1.711 -2.902 -8.201 236 HE1 PHE 38 HE1 PHE 38 -4.080 -1.296 -4.156 237 HE2 PHE 38 HE2 PHE 38 -3.446 -4.315 -7.136 238 HZ PHE 38 HZ PHE 38 -4.631 -3.512 -5.114 239 H SER 39 H SER 39 0.437 2.455 -5.785 240 HA SER 39 HA SER 39 1.732 4.018 -7.793 241 HB2 SER 39 HB2 SER 39 2.932 3.229 -5.129 242 HB3 SER 39 HB1 SER 39 3.260 4.685 -6.064 243 HG SER 39 HG SER 39 1.698 5.515 -4.934 244 H ARG 40 H ARG 40 4.522 3.389 -6.799 245 HA ARG 40 HA ARG 40 4.935 0.912 -8.427 246 HB2 ARG 40 HB2 ARG 40 6.523 3.475 -8.268 247 HB3 ARG 40 HB1 ARG 40 7.258 1.975 -8.840 248 HG2 ARG 40 HG2 ARG 40 6.394 2.417 -10.872 249 HG3 ARG 40 HG1 ARG 40 4.795 2.140 -10.180 250 HD2 ARG 40 HD2 ARG 40 4.361 4.299 -10.692 251 HD3 ARG 40 HD1 ARG 40 5.408 4.707 -9.333 252 HE ARG 40 HE ARG 40 7.295 4.664 -11.110 253 HH11 ARG 40 1HH2 ARG 40 4.522 4.281 -12.815 254 HH12 ARG 40 2HH2 ARG 40 4.620 5.755 -13.719 255 HH21 ARG 40 1HH1 ARG 40 7.205 7.063 -11.811 256 HH22 ARG 40 2HH1 ARG 40 6.139 7.330 -13.151 257 H ALA 41 H ALA 41 6.796 -0.401 -7.761 258 HA ALA 41 HA ALA 41 6.953 -0.671 -4.886 259 HB1 ALA 41 HB1 ALA 41 7.914 -2.693 -5.329 260 HB2 ALA 41 HB2 ALA 41 9.023 -2.013 -6.521 261 HB3 ALA 41 HB3 ALA 41 7.359 -2.383 -6.973 262 H GLY 42 H GLY 42 9.099 -0.700 -3.725 263 HA2 GLY 42 HA2 GLY 42 11.115 0.360 -3.121 264 HA3 GLY 42 HA1 GLY 42 11.325 0.786 -4.822 265 H LYS 43 H LYS 43 8.344 1.602 -3.235 266 HA LYS 43 HA LYS 43 9.151 4.479 -3.429 267 HB2 LYS 43 HB2 LYS 43 7.196 4.572 -4.567 268 HB3 LYS 43 HB1 LYS 43 6.686 2.994 -3.984 269 HG2 LYS 43 HG2 LYS 43 5.112 4.693 -3.206 270 HG3 LYS 43 HG1 LYS 43 6.002 4.057 -1.824 271 HD2 LYS 43 HD2 LYS 43 6.726 6.129 -1.333 272 HD3 LYS 43 HD1 LYS 43 7.499 6.237 -2.915 273 HE2 LYS 43 HE2 LYS 43 4.587 6.867 -2.340 274 HE3 LYS 43 HE1 LYS 43 5.859 8.062 -2.594 275 HZ1 LYS 43 HZ1 LYS 43 6.245 7.003 -4.795 276 HZ2 LYS 43 HZ2 LYS 43 4.729 7.755 -4.642 277 HZ3 LYS 43 HZ3 LYS 43 4.856 6.064 -4.542 278 H ILE 44 H ILE 44 9.474 5.611 -1.582 279 HA ILE 44 HA ILE 44 9.377 4.395 0.988 280 HB ILE 44 HB ILE 44 10.808 6.271 0.741 281 HG12 ILE 44 2HG1 ILE 44 10.194 7.674 2.542 282 HG13 ILE 44 1HG1 ILE 44 8.475 7.543 2.178 283 HG21 ILE 44 1HG2 ILE 44 8.621 7.239 -0.867 284 HG22 ILE 44 2HG2 ILE 44 10.296 7.793 -0.825 285 HG23 ILE 44 3HG2 ILE 44 9.111 8.481 0.286 286 HD11 ILE 44 3HD1 ILE 44 8.298 5.419 3.122 287 HD12 ILE 44 1HD1 ILE 44 9.501 6.164 4.174 288 HD13 ILE 44 2HD1 ILE 44 10.010 5.067 2.893 289 H CYS 45 H CYS 45 7.186 3.462 0.923 290 HA CYS 45 HA CYS 45 4.774 4.935 0.776 291 HB2 CYS 45 HB2 CYS 45 3.913 3.073 2.359 292 HB3 CYS 45 HB1 CYS 45 4.546 2.583 0.788 293 H ARG 46 H ARG 46 6.865 4.263 3.579 294 HA ARG 46 HA ARG 46 5.633 6.596 4.944 295 HB2 ARG 46 HB2 ARG 46 4.703 4.151 5.589 296 HB3 ARG 46 HB1 ARG 46 6.117 4.199 6.642 297 HG2 ARG 46 HG2 ARG 46 5.232 6.606 7.240 298 HG3 ARG 46 HG1 ARG 46 3.695 5.974 6.647 299 HD2 ARG 46 HD2 ARG 46 5.381 4.573 8.738 300 HD3 ARG 46 HD1 ARG 46 4.056 5.668 9.130 301 HE ARG 46 HE ARG 46 3.555 3.267 7.430 302 HH11 ARG 46 1HH1 ARG 46 3.637 2.761 10.403 303 HH12 ARG 46 2HH1 ARG 46 1.974 2.962 10.841 304 HH21 ARG 46 1HH2 ARG 46 1.121 4.591 7.899 305 HH22 ARG 46 2HH2 ARG 46 0.547 3.999 9.423 306 H ILE 47 H ILE 47 7.182 7.813 5.929 307 HA ILE 47 HA ILE 47 9.956 7.195 5.651 308 HB ILE 47 HB ILE 47 8.852 9.492 5.989 309 HG12 ILE 47 2HG1 ILE 47 10.865 10.338 7.256 310 HG13 ILE 47 1HG1 ILE 47 11.314 8.657 7.547 311 HG21 ILE 47 1HG2 ILE 47 9.310 8.997 8.914 312 HG22 ILE 47 2HG2 ILE 47 7.768 8.538 8.192 313 HG23 ILE 47 3HG2 ILE 47 8.304 10.218 8.135 314 HD11 ILE 47 3HD1 ILE 47 12.285 9.944 5.454 315 HD12 ILE 47 1HD1 ILE 47 10.726 9.530 4.741 316 HD13 ILE 47 2HD1 ILE 47 11.801 8.254 5.310 317 H ALA 48 H ALA 48 11.508 6.726 7.373 318 HA ALA 48 HA ALA 48 10.497 4.704 9.220 319 HB1 ALA 48 HB1 ALA 48 13.116 5.630 8.253 320 HB2 ALA 48 HB2 ALA 48 12.599 4.009 8.720 321 HB3 ALA 48 HB3 ALA 48 13.114 5.159 9.953 322 H ARG 49 H ARG 49 10.528 4.844 11.514 323 HA ARG 49 HA ARG 49 10.056 7.522 12.568 324 HB2 ARG 49 HB2 ARG 49 10.321 4.900 14.072 325 HB3 ARG 49 HB1 ARG 49 9.584 6.387 14.671 326 HG2 ARG 49 HG2 ARG 49 8.595 4.628 12.412 327 HG3 ARG 49 HG1 ARG 49 7.789 4.955 13.946 328 HD2 ARG 49 HD2 ARG 49 8.329 6.945 11.726 329 HD3 ARG 49 HD1 ARG 49 6.756 6.326 12.227 330 HE ARG 49 HE ARG 49 8.185 7.623 14.406 331 HH11 ARG 49 1HH1 ARG 49 5.200 7.548 13.271 332 HH12 ARG 49 2HH1 ARG 49 4.949 9.253 13.094 333 HH21 ARG 49 1HH2 ARG 49 8.302 10.052 13.475 334 HH22 ARG 49 2HH2 ARG 49 6.707 10.671 13.210 335 H GLY 50 H GLY 50 12.330 8.217 11.910 336 HA2 GLY 50 HA2 GLY 50 14.010 8.982 13.818 337 HA3 GLY 50 HA1 GLY 50 14.434 7.272 13.778 338 H ASP 51 H ASP 51 15.696 6.518 12.090 339 HA ASP 51 HA ASP 51 16.076 7.842 9.590 340 HB2 ASP 51 HB2 ASP 51 17.627 8.881 11.837 341 HB3 ASP 51 HB1 ASP 51 18.657 8.309 10.524 342 H TRP 52 H TRP 52 15.672 5.248 9.981 343 HA TRP 52 HA TRP 52 18.355 4.037 9.494 344 HB2 TRP 52 HB2 TRP 52 17.193 1.926 10.593 345 HB3 TRP 52 HB1 TRP 52 17.948 3.154 11.602 346 HD1 TRP 52 HD TRP 52 14.454 3.038 9.911 347 HE1 TRP 52 HE1 TRP 52 12.685 3.559 11.705 348 HE3 TRP 52 HE3 TRP 52 17.470 3.537 14.005 349 HZ2 TRP 52 HZ2 TRP 52 12.560 4.119 14.506 350 HZ3 TRP 52 HZ3 TRP 52 16.496 4.068 16.221 351 HH2 TRP 52 HH TRP 52 14.047 4.357 16.476 352 H ASN 53 H ASN 53 15.778 1.792 9.475 353 HA ASN 53 HA ASN 53 15.861 1.768 6.515 354 HB2 ASN 53 HB2 ASN 53 15.991 -0.281 8.277 355 HB3 ASN 53 HB1 ASN 53 14.248 -0.235 8.008 356 HD21 ASN 53 1HD2 ASN 53 15.659 -2.465 7.060 357 HD22 ASN 53 2HD2 ASN 53 15.734 -2.418 5.365 358 H ASP 54 H ASP 54 14.278 2.841 5.438 359 HA ASP 54 HA ASP 54 11.862 3.708 6.852 360 HB2 ASP 54 HB2 ASP 54 12.250 3.997 3.886 361 HB3 ASP 54 HB1 ASP 54 11.468 5.101 5.019 362 H ASP 55 H ASP 55 10.256 3.482 4.306 363 HA ASP 55 HA ASP 55 9.755 0.541 4.315 364 HB2 ASP 55 HB2 ASP 55 7.595 2.664 4.429 365 HB3 ASP 55 HB1 ASP 55 7.366 0.917 4.494 366 H ARG 56 H ARG 56 9.995 -0.123 2.245 367 HA ARG 56 HA ARG 56 9.568 1.807 0.033 368 HB2 ARG 56 HB2 ARG 56 10.625 -1.036 -0.009 369 HB3 ARG 56 HB1 ARG 56 10.637 0.096 -1.360 370 HG2 ARG 56 HG2 ARG 56 11.872 1.000 1.201 371 HG3 ARG 56 HG1 ARG 56 12.759 -0.188 0.244 372 HD2 ARG 56 HD2 ARG 56 12.164 1.454 -1.748 373 HD3 ARG 56 HD1 ARG 56 12.023 2.633 -0.444 374 HE ARG 56 HE ARG 56 14.484 1.125 -0.235 375 HH11 ARG 56 1HH1 ARG 56 12.847 3.823 -1.622 376 HH12 ARG 56 2HH1 ARG 56 14.302 4.616 -2.125 377 HH21 ARG 56 1HH2 ARG 56 16.389 2.090 -0.996 378 HH22 ARG 56 2HH2 ARG 56 16.304 3.637 -1.771 379 H CYS 57 H CYS 57 7.875 1.690 -1.345 380 HA CYS 57 HA CYS 57 5.592 0.052 -0.712 381 HB2 CYS 57 HB2 CYS 57 6.157 2.281 -2.370 382 HB3 CYS 57 HB1 CYS 57 5.516 1.024 -3.422 383 H THR 58 H THR 58 4.760 -1.709 -1.933 384 HA THR 58 HA THR 58 6.802 -3.430 -3.100 385 HB THR 58 HB THR 58 4.166 -4.438 -3.559 386 HG1 THR 58 HG1 THR 58 3.521 -4.357 -1.312 387 HG21 THR 58 3HG2 THR 58 6.650 -5.137 -2.219 388 HG22 THR 58 1HG2 THR 58 5.448 -6.192 -2.966 389 HG23 THR 58 2HG2 THR 58 5.247 -5.672 -1.293 390 H GLY 59 H GLY 59 4.456 -1.178 -4.303 391 HA2 GLY 59 HA2 GLY 59 4.282 -0.384 -6.536 392 HA3 GLY 59 HA1 GLY 59 5.410 -1.645 -7.037 393 H GLN 60 H GLN 60 2.635 -2.464 -5.100 394 HA GLN 60 HA GLN 60 0.873 -3.092 -7.310 395 HB2 GLN 60 HB2 GLN 60 2.873 -4.874 -7.196 396 HB3 GLN 60 HB1 GLN 60 1.820 -5.584 -5.970 397 HG2 GLN 60 HG2 GLN 60 0.103 -4.882 -8.075 398 HG3 GLN 60 HG1 GLN 60 1.521 -5.580 -8.858 399 HE21 GLN 60 1HE2 GLN 60 0.075 -7.469 -9.393 400 HE22 GLN 60 2HE2 GLN 60 -0.209 -8.648 -8.206 401 H SER 61 H SER 61 1.806 -3.621 -3.940 402 HA SER 61 HA SER 61 -0.988 -4.308 -3.236 403 HB2 SER 61 HB2 SER 61 1.657 -4.530 -1.937 404 HB3 SER 61 HB1 SER 61 0.335 -4.110 -0.853 405 HG SER 61 HG SER 61 0.926 -6.476 -1.749 406 H ALA 62 H ALA 62 -2.400 -2.702 -2.750 407 HA ALA 62 HA ALA 62 -1.802 0.041 -2.648 408 HB1 ALA 62 HB1 ALA 62 -3.960 -0.129 -0.961 409 HB2 ALA 62 HB2 ALA 62 -4.074 -1.659 -1.831 410 HB3 ALA 62 HB3 ALA 62 -4.072 -0.138 -2.721 411 H ASP 63 H ASP 63 -2.045 -2.280 0.050 412 HA ASP 63 HA ASP 63 -1.256 -0.252 2.006 413 HB2 ASP 63 HB2 ASP 63 -2.704 -2.000 2.797 414 HB3 ASP 63 HB1 ASP 63 -1.632 -3.252 2.171 415 H CYS 64 H CYS 64 0.810 0.153 2.695 416 HA CYS 64 HA CYS 64 3.016 -1.061 1.221 417 HB2 CYS 64 HB2 CYS 64 3.358 1.218 1.689 418 HB3 CYS 64 HB1 CYS 64 2.790 1.067 3.346 419 HA PRO 65 HA PRO 65 3.819 -4.294 4.027 420 HB2 PRO 65 HB2 PRO 65 6.297 -4.898 3.040 421 HB3 PRO 65 HB1 PRO 65 4.799 -5.371 2.240 422 HG2 PRO 65 HG2 PRO 65 6.757 -3.255 1.504 423 HG3 PRO 65 HG1 PRO 65 5.619 -4.139 0.473 424 HD2 PRO 65 HD2 PRO 65 5.286 -1.505 1.434 425 HD3 PRO 65 HD1 PRO 65 4.034 -2.514 0.681 426 H ARG 66 H ARG 66 5.101 -4.669 5.923 427 HA ARG 66 HA ARG 66 6.390 -2.299 7.026 428 HB2 ARG 66 HB2 ARG 66 5.335 -4.787 8.024 429 HB3 ARG 66 HB1 ARG 66 6.972 -4.554 8.641 430 HG2 ARG 66 HG2 ARG 66 5.449 -2.075 8.704 431 HG3 ARG 66 HG1 ARG 66 4.651 -3.349 9.627 432 HD2 ARG 66 HD2 ARG 66 7.475 -3.449 10.148 433 HD3 ARG 66 HD1 ARG 66 6.903 -1.801 10.401 434 HE ARG 66 HE ARG 66 6.124 -4.160 11.976 435 HH11 ARG 66 1HH1 ARG 66 6.801 -1.156 12.667 436 HH12 ARG 66 2HH1 ARG 66 5.277 -0.674 13.332 437 HH21 ARG 66 1HH2 ARG 66 3.575 -3.442 12.124 438 HH22 ARG 66 2HH2 ARG 66 3.449 -1.968 13.026 439 H ASN 67 H ASN 67 8.413 -1.771 6.343 440 HA ASN 67 HA ASN 67 10.442 -3.960 6.238 441 HB2 ASN 67 HB2 ASN 67 9.648 -2.049 4.117 442 HB3 ASN 67 HB1 ASN 67 11.385 -2.230 4.358 443 HD21 ASN 67 1HD2 ASN 67 10.183 -3.193 1.969 444 HD22 ASN 67 2HD2 ASN 67 10.239 -4.889 1.972 445 H GLY 68 H GLY 68 9.626 -1.647 8.128 446 HA2 GLY 68 HA2 GLY 68 11.895 0.173 8.064 447 HA3 GLY 68 HA1 GLY 68 10.706 0.048 9.361 448 H LEU 69 H LEU 69 11.883 -0.311 11.196 449 HA LEU 69 HA LEU 69 14.027 -2.392 11.080 450 HB2 LEU 69 HB2 LEU 69 14.553 0.055 11.781 451 HB3 LEU 69 HB1 LEU 69 13.731 -0.359 13.286 452 HG LEU 69 HG LEU 69 15.468 -2.514 12.757 453 HD11 LEU 69 1HD1 LEU 69 16.914 0.139 12.496 454 HD12 LEU 69 2HD1 LEU 69 16.599 -0.949 11.143 455 HD13 LEU 69 3HD1 LEU 69 17.638 -1.469 12.470 456 HD21 LEU 69 3HD2 LEU 69 15.400 -2.091 14.989 457 HD22 LEU 69 1HD2 LEU 69 15.072 -0.377 14.741 458 HD23 LEU 69 2HD2 LEU 69 16.729 -0.977 14.671 459 H TYR 70 H TYR 70 10.884 -1.852 12.116 460 HA TYR 70 HA TYR 70 11.162 -3.664 14.463 461 HB2 TYR 70 HB2 TYR 70 8.670 -2.209 13.547 462 HB3 TYR 70 HB1 TYR 70 8.979 -2.926 15.129 463 HD1 TYR 70 HD1 TYR 70 11.583 -2.059 15.914 464 HD2 TYR 70 HD2 TYR 70 8.600 0.115 13.719 465 HE1 TYR 70 HE1 TYR 70 12.569 0.077 16.693 466 HE2 TYR 70 HE2 TYR 70 9.586 2.253 14.497 467 HH TYR 70 HH TYR 70 11.064 2.908 16.676 468 H GLY 71 H GLY 71 9.111 -5.197 14.620 469 HA2 GLY 71 HA2 GLY 71 7.972 -6.149 12.141 470 HA3 GLY 71 HA1 GLY 71 9.304 -7.183 12.661 Start of MODEL 7 1 H GLY 1 HT1 GLY 1 -19.345 -8.513 6.652 2 HA2 GLY 1 HA1 GLY 1 -19.688 -7.044 4.984 3 HA3 GLY 1 HA2 GLY 1 -19.612 -5.919 6.340 4 H LYS 2 H LYS 2 -17.863 -7.204 3.581 5 HA LYS 2 HA LYS 2 -15.748 -5.138 4.033 6 HB2 LYS 2 HB2 LYS 2 -14.856 -7.422 3.933 7 HB3 LYS 2 HB1 LYS 2 -15.658 -7.683 2.383 8 HG2 LYS 2 HG2 LYS 2 -13.905 -6.773 1.310 9 HG3 LYS 2 HG1 LYS 2 -14.136 -5.268 2.200 10 HD2 LYS 2 HD2 LYS 2 -12.577 -7.671 3.196 11 HD3 LYS 2 HD1 LYS 2 -11.869 -6.182 2.569 12 HE2 LYS 2 HE2 LYS 2 -12.162 -5.117 4.534 13 HE3 LYS 2 HE1 LYS 2 -13.845 -5.632 4.634 14 HZ1 LYS 2 HZ1 LYS 2 -11.438 -7.135 5.487 15 HZ2 LYS 2 HZ2 LYS 2 -12.971 -7.853 5.338 16 HZ3 LYS 2 HZ3 LYS 2 -12.723 -6.597 6.455 17 H GLU 3 H GLU 3 -18.218 -4.334 2.945 18 HA GLU 3 HA GLU 3 -17.894 -4.249 0.011 19 HB2 GLU 3 HB2 GLU 3 -20.072 -3.975 1.838 20 HB3 GLU 3 HB1 GLU 3 -19.935 -2.466 0.933 21 HG2 GLU 3 HG2 GLU 3 -20.381 -3.475 -1.093 22 HG3 GLU 3 HG1 GLU 3 -19.695 -5.021 -0.592 23 H CYS 4 H CYS 4 -16.569 -2.599 2.559 24 HA CYS 4 HA CYS 4 -16.433 -0.037 1.020 25 HB2 CYS 4 HB2 CYS 4 -16.041 -0.659 3.962 26 HB3 CYS 4 HB1 CYS 4 -15.633 0.900 3.253 27 H ASP 5 H ASP 5 -14.720 -0.452 -0.340 28 HA ASP 5 HA ASP 5 -12.288 -1.765 0.579 29 HB2 ASP 5 HB2 ASP 5 -13.131 -1.933 -1.770 30 HB3 ASP 5 HB1 ASP 5 -12.800 -0.213 -1.981 31 H CYS 6 H CYS 6 -13.506 1.448 0.604 32 HA CYS 6 HA CYS 6 -10.772 2.444 1.303 33 HB2 CYS 6 HB2 CYS 6 -11.403 4.625 0.339 34 HB3 CYS 6 HB1 CYS 6 -11.505 3.353 -0.879 35 H SER 7 H SER 7 -10.949 4.495 2.704 36 HA SER 7 HA SER 7 -13.177 4.096 4.656 37 HB2 SER 7 HB2 SER 7 -10.869 5.705 5.517 38 HB3 SER 7 HB1 SER 7 -11.686 4.381 6.343 39 HG SER 7 HG SER 7 -9.405 4.128 5.438 40 H SER 8 H SER 8 -12.640 5.968 2.121 41 HA SER 8 HA SER 8 -13.698 8.410 3.483 42 HB2 SER 8 HB2 SER 8 -11.331 8.143 1.917 43 HB3 SER 8 HB1 SER 8 -12.483 9.090 0.980 44 HG SER 8 HG SER 8 -11.100 10.245 2.551 45 HA PRO 9 HA PRO 9 -16.991 7.438 0.592 46 HB2 PRO 9 HB2 PRO 9 -18.778 9.220 1.685 47 HB3 PRO 9 HB1 PRO 9 -18.468 7.609 2.356 48 HG2 PRO 9 HG2 PRO 9 -17.576 10.268 3.369 49 HG3 PRO 9 HG1 PRO 9 -17.848 8.761 4.260 50 HD2 PRO 9 HD2 PRO 9 -15.330 9.796 3.482 51 HD3 PRO 9 HD1 PRO 9 -15.646 8.150 4.073 52 H GLU 10 H GLU 10 -15.040 10.115 0.826 53 HA GLU 10 HA GLU 10 -16.512 11.558 -1.347 54 HB2 GLU 10 HB2 GLU 10 -15.597 12.564 1.084 55 HB3 GLU 10 HB1 GLU 10 -14.344 13.045 -0.061 56 HG2 GLU 10 HG2 GLU 10 -15.901 14.210 -1.435 57 HG3 GLU 10 HG1 GLU 10 -17.282 13.462 -0.634 58 H ASN 11 H ASN 11 -14.439 9.266 -1.268 59 HA ASN 11 HA ASN 11 -12.153 10.491 -2.661 60 HB2 ASN 11 HB2 ASN 11 -12.365 8.317 -1.034 61 HB3 ASN 11 HB1 ASN 11 -12.439 7.546 -2.618 62 HD21 ASN 11 1HD2 ASN 11 -10.228 6.660 -1.999 63 HD22 ASN 11 2HD2 ASN 11 -8.867 7.640 -2.249 64 HA PRO 12 HA PRO 12 -14.043 9.799 -6.617 65 HB2 PRO 12 HB2 PRO 12 -11.845 10.488 -8.116 66 HB3 PRO 12 HB1 PRO 12 -12.903 11.672 -7.329 67 HG2 PRO 12 HG2 PRO 12 -10.159 10.804 -6.555 68 HG3 PRO 12 HG1 PRO 12 -10.988 12.332 -6.221 69 HD2 PRO 12 HD2 PRO 12 -10.644 10.190 -4.397 70 HD3 PRO 12 HD1 PRO 12 -11.716 11.588 -4.182 71 H CYS 13 H CYS 13 -11.568 7.985 -5.218 72 HA CYS 13 HA CYS 13 -11.106 6.264 -7.584 73 HB2 CYS 13 HB2 CYS 13 -10.055 5.987 -4.752 74 HB3 CYS 13 HB1 CYS 13 -9.471 5.130 -6.179 75 H CYS 14 H CYS 14 -12.897 6.311 -4.575 76 HA CYS 14 HA CYS 14 -14.012 3.639 -5.311 77 HB2 CYS 14 HB2 CYS 14 -14.118 3.028 -2.980 78 HB3 CYS 14 HB1 CYS 14 -12.475 3.581 -3.304 79 H ASP 15 H ASP 15 -16.230 3.512 -5.279 80 HA ASP 15 HA ASP 15 -17.812 5.891 -5.257 81 HB2 ASP 15 HB2 ASP 15 -18.331 3.563 -6.287 82 HB3 ASP 15 HB1 ASP 15 -18.914 3.145 -4.672 83 H ALA 16 H ALA 16 -18.931 6.885 -3.589 84 HA ALA 16 HA ALA 16 -18.192 6.217 -0.864 85 HB1 ALA 16 HB1 ALA 16 -19.113 8.240 -0.317 86 HB2 ALA 16 HB2 ALA 16 -20.531 7.984 -1.333 87 HB3 ALA 16 HB3 ALA 16 -19.012 8.508 -2.057 88 H ALA 17 H ALA 17 -21.157 5.865 -2.807 89 HA ALA 17 HA ALA 17 -22.842 4.886 -0.738 90 HB1 ALA 17 HB1 ALA 17 -23.393 3.529 -3.220 91 HB2 ALA 17 HB2 ALA 17 -22.990 5.215 -3.549 92 HB3 ALA 17 HB3 ALA 17 -24.308 4.822 -2.444 93 H THR 18 H THR 18 -20.695 3.128 -2.985 94 HA THR 18 HA THR 18 -21.122 0.669 -1.355 95 HB THR 18 HB THR 18 -20.176 -0.546 -3.236 96 HG1 THR 18 HG1 THR 18 -19.709 0.897 -5.138 97 HG21 THR 18 3HG2 THR 18 -21.946 -0.264 -4.721 98 HG22 THR 18 1HG2 THR 18 -21.927 1.493 -4.569 99 HG23 THR 18 2HG2 THR 18 -22.588 0.502 -3.269 100 H CYS 19 H CYS 19 -19.177 3.232 -1.208 101 HA CYS 19 HA CYS 19 -16.898 3.612 -0.698 102 HB2 CYS 19 HB2 CYS 19 -16.276 1.933 1.273 103 HB3 CYS 19 HB1 CYS 19 -17.394 3.264 1.512 104 H LYS 20 H LYS 20 -17.125 1.850 -2.969 105 HA LYS 20 HA LYS 20 -14.614 0.283 -2.533 106 HB2 LYS 20 HB2 LYS 20 -17.134 -0.613 -3.944 107 HB3 LYS 20 HB1 LYS 20 -15.564 -1.366 -4.235 108 HG2 LYS 20 HG2 LYS 20 -16.061 -1.113 -1.394 109 HG3 LYS 20 HG1 LYS 20 -17.368 -1.997 -2.181 110 HD2 LYS 20 HD2 LYS 20 -15.921 -3.649 -3.015 111 HD3 LYS 20 HD1 LYS 20 -14.494 -2.634 -2.811 112 HE2 LYS 20 HE2 LYS 20 -15.210 -2.724 -0.258 113 HE3 LYS 20 HE1 LYS 20 -16.004 -4.213 -0.770 114 HZ1 LYS 20 HZ1 LYS 20 -14.011 -5.139 -0.494 115 HZ2 LYS 20 HZ2 LYS 20 -13.205 -3.642 -0.462 116 HZ3 LYS 20 HZ3 LYS 20 -13.577 -4.378 -1.948 117 H LEU 21 H LEU 21 -13.666 -0.303 -4.817 118 HA LEU 21 HA LEU 21 -13.156 2.140 -6.206 119 HB2 LEU 21 HB2 LEU 21 -12.477 -0.718 -6.563 120 HB3 LEU 21 HB1 LEU 21 -12.463 0.246 -8.039 121 HG LEU 21 HG LEU 21 -11.129 1.958 -6.527 122 HD11 LEU 21 1HD1 LEU 21 -10.896 1.090 -4.429 123 HD12 LEU 21 2HD1 LEU 21 -9.579 0.176 -5.163 124 HD13 LEU 21 3HD1 LEU 21 -11.169 -0.563 -4.978 125 HD21 LEU 21 3HD2 LEU 21 -10.197 0.979 -8.529 126 HD22 LEU 21 1HD2 LEU 21 -10.012 -0.585 -7.735 127 HD23 LEU 21 2HD2 LEU 21 -9.016 0.781 -7.237 128 H ARG 22 H ARG 22 -14.438 3.192 -7.631 129 HA ARG 22 HA ARG 22 -16.805 1.828 -8.727 130 HB2 ARG 22 HB2 ARG 22 -16.236 4.454 -7.955 131 HB3 ARG 22 HB1 ARG 22 -16.373 4.527 -9.712 132 HG2 ARG 22 HG2 ARG 22 -18.427 2.857 -8.424 133 HG3 ARG 22 HG1 ARG 22 -18.508 4.563 -7.982 134 HD2 ARG 22 HD2 ARG 22 -18.098 4.783 -10.656 135 HD3 ARG 22 HD1 ARG 22 -18.996 3.265 -10.603 136 HE ARG 22 HE ARG 22 -20.069 5.911 -10.001 137 HH11 ARG 22 1HH1 ARG 22 -20.959 2.880 -10.885 138 HH12 ARG 22 2HH1 ARG 22 -22.333 2.746 -9.837 139 HH21 ARG 22 1HH2 ARG 22 -21.556 5.592 -8.016 140 HH22 ARG 22 2HH2 ARG 22 -22.669 4.280 -8.213 141 HA PRO 23 HA PRO 23 -14.641 2.956 -12.826 142 HB2 PRO 23 HB2 PRO 23 -12.127 4.061 -12.697 143 HB3 PRO 23 HB1 PRO 23 -13.620 5.015 -12.707 144 HG2 PRO 23 HG2 PRO 23 -11.780 4.434 -10.437 145 HG3 PRO 23 HG1 PRO 23 -12.880 5.802 -10.666 146 HD2 PRO 23 HD2 PRO 23 -13.339 3.551 -9.010 147 HD3 PRO 23 HD1 PRO 23 -14.544 4.769 -9.480 148 H GLY 24 H GLY 24 -12.155 2.404 -13.859 149 HA2 GLY 24 HA2 GLY 24 -11.738 -0.374 -12.954 150 HA3 GLY 24 HA1 GLY 24 -11.080 0.343 -14.424 151 H ALA 25 H ALA 25 -10.823 1.871 -11.260 152 HA ALA 25 HA ALA 25 -7.941 2.081 -11.526 153 HB1 ALA 25 HB1 ALA 25 -10.017 3.090 -9.739 154 HB2 ALA 25 HB2 ALA 25 -8.460 3.804 -10.158 155 HB3 ALA 25 HB3 ALA 25 -8.564 2.615 -8.860 156 H GLN 26 H GLN 26 -6.447 1.234 -9.773 157 HA GLN 26 HA GLN 26 -7.105 -1.603 -9.283 158 HB2 GLN 26 HB2 GLN 26 -4.706 -0.095 -9.754 159 HB3 GLN 26 HB1 GLN 26 -4.556 -0.935 -8.211 160 HG2 GLN 26 HG2 GLN 26 -3.832 -2.588 -9.678 161 HG3 GLN 26 HG1 GLN 26 -5.550 -2.969 -9.569 162 HE21 GLN 26 1HE2 GLN 26 -3.507 -0.680 -11.497 163 HE22 GLN 26 2HE2 GLN 26 -4.276 -1.017 -12.972 164 H CYS 27 H CYS 27 -6.728 1.398 -7.517 165 HA CYS 27 HA CYS 27 -7.660 -0.016 -5.081 166 HB2 CYS 27 HB2 CYS 27 -5.965 1.231 -3.711 167 HB3 CYS 27 HB1 CYS 27 -5.250 0.030 -4.789 168 H GLY 28 H GLY 28 -8.360 1.597 -3.390 169 HA2 GLY 28 HA2 GLY 28 -9.540 3.986 -4.725 170 HA3 GLY 28 HA1 GLY 28 -10.206 3.209 -3.294 171 H GLU 29 H GLU 29 -7.946 2.934 -1.743 172 HA GLU 29 HA GLU 29 -6.680 5.595 -1.583 173 HB2 GLU 29 HB2 GLU 29 -7.373 5.874 0.755 174 HB3 GLU 29 HB1 GLU 29 -8.772 5.808 -0.303 175 HG2 GLU 29 HG2 GLU 29 -9.543 3.931 0.677 176 HG3 GLU 29 HG1 GLU 29 -7.961 3.155 0.587 177 H GLY 30 H GLY 30 -4.904 5.574 0.082 178 HA2 GLY 30 HA2 GLY 30 -3.973 3.473 1.595 179 HA3 GLY 30 HA1 GLY 30 -3.477 3.025 -0.035 180 H LEU 31 H LEU 31 -1.274 3.285 1.097 181 HA LEU 31 HA LEU 31 -0.444 6.109 1.421 182 HB2 LEU 31 HB2 LEU 31 0.355 3.655 2.586 183 HB3 LEU 31 HB1 LEU 31 1.725 4.221 1.628 184 HG LEU 31 HG LEU 31 1.719 6.355 2.754 185 HD11 LEU 31 1HD1 LEU 31 -0.079 6.258 4.820 186 HD12 LEU 31 2HD1 LEU 31 -0.982 5.454 3.536 187 HD13 LEU 31 3HD1 LEU 31 -0.367 7.090 3.292 188 HD21 LEU 31 3HD2 LEU 31 1.472 3.955 4.575 189 HD22 LEU 31 1HD2 LEU 31 1.933 5.545 5.183 190 HD23 LEU 31 2HD2 LEU 31 2.944 4.730 3.990 191 H CYS 32 H CYS 32 0.371 3.258 -0.553 192 HA CYS 32 HA CYS 32 1.896 5.067 -2.361 193 HB2 CYS 32 HB2 CYS 32 1.923 2.043 -2.214 194 HB3 CYS 32 HB1 CYS 32 2.983 3.051 -3.203 195 H CYS 33 H CYS 33 -0.757 5.406 -2.655 196 HA CYS 33 HA CYS 33 -1.287 3.992 -5.232 197 HB2 CYS 33 HB2 CYS 33 -2.895 3.957 -2.792 198 HB3 CYS 33 HB1 CYS 33 -3.809 4.533 -4.186 199 H GLU 34 H GLU 34 -1.256 5.543 -6.770 200 HA GLU 34 HA GLU 34 -2.451 8.201 -6.095 201 HB2 GLU 34 HB2 GLU 34 -0.260 7.672 -8.123 202 HB3 GLU 34 HB1 GLU 34 -0.853 9.243 -7.584 203 HG2 GLU 34 HG2 GLU 34 -0.166 8.016 -5.206 204 HG3 GLU 34 HG1 GLU 34 1.084 7.442 -6.311 205 H GLN 35 H GLN 35 -3.724 9.170 -7.769 206 HA GLN 35 HA GLN 35 -5.227 9.128 -9.568 207 HB2 GLN 35 HB2 GLN 35 -2.815 8.373 -10.603 208 HB3 GLN 35 HB1 GLN 35 -3.805 6.967 -10.999 209 HG2 GLN 35 HG2 GLN 35 -4.037 8.475 -12.841 210 HG3 GLN 35 HG1 GLN 35 -5.534 8.602 -11.915 211 HE21 GLN 35 1HE2 GLN 35 -6.083 10.661 -11.109 212 HE22 GLN 35 2HE2 GLN 35 -5.057 12.012 -11.168 213 H CYS 36 H CYS 36 -5.209 7.019 -7.304 214 HA CYS 36 HA CYS 36 -6.723 5.322 -6.696 215 HB2 CYS 36 HB2 CYS 36 -7.817 5.439 -9.514 216 HB3 CYS 36 HB1 CYS 36 -8.645 4.924 -8.040 217 H LYS 37 H LYS 37 -4.135 5.027 -8.402 218 HA LYS 37 HA LYS 37 -4.628 2.165 -9.120 219 HB2 LYS 37 HB2 LYS 37 -3.034 4.294 -10.531 220 HB3 LYS 37 HB1 LYS 37 -2.614 2.591 -10.725 221 HG2 LYS 37 HG2 LYS 37 -4.971 2.125 -11.399 222 HG3 LYS 37 HG1 LYS 37 -5.308 3.854 -11.308 223 HD2 LYS 37 HD2 LYS 37 -2.925 3.366 -12.883 224 HD3 LYS 37 HD1 LYS 37 -4.290 2.451 -13.522 225 HE2 LYS 37 HE2 LYS 37 -5.465 4.866 -12.975 226 HE3 LYS 37 HE1 LYS 37 -3.847 5.365 -13.466 227 HZ1 LYS 37 HZ1 LYS 37 -4.124 4.552 -15.555 228 HZ2 LYS 37 HZ2 LYS 37 -5.742 4.940 -15.213 229 HZ3 LYS 37 HZ3 LYS 37 -5.204 3.335 -15.075 230 H PHE 38 H PHE 38 -2.451 0.925 -9.115 231 HA PHE 38 HA PHE 38 -1.248 1.304 -6.484 232 HB2 PHE 38 HB2 PHE 38 -0.817 -0.676 -8.726 233 HB3 PHE 38 HB1 PHE 38 0.161 -0.693 -7.257 234 HD1 PHE 38 HD1 PHE 38 -1.741 0.010 -5.162 235 HD2 PHE 38 HD2 PHE 38 -2.273 -2.510 -8.598 236 HE1 PHE 38 HE1 PHE 38 -3.541 -1.221 -3.982 237 HE2 PHE 38 HE2 PHE 38 -4.074 -3.739 -7.420 238 HZ PHE 38 HZ PHE 38 -4.710 -3.093 -5.111 239 H SER 39 H SER 39 0.534 2.519 -6.083 240 HA SER 39 HA SER 39 1.923 3.954 -8.126 241 HB2 SER 39 HB2 SER 39 3.000 3.278 -5.373 242 HB3 SER 39 HB1 SER 39 3.433 4.656 -6.382 243 HG SER 39 HG SER 39 1.765 5.660 -5.617 244 H ARG 40 H ARG 40 4.652 3.168 -6.844 245 HA ARG 40 HA ARG 40 5.028 0.674 -8.455 246 HB2 ARG 40 HB2 ARG 40 7.159 1.491 -9.202 247 HB3 ARG 40 HB1 ARG 40 6.008 2.803 -9.460 248 HG2 ARG 40 HG2 ARG 40 6.686 3.703 -7.188 249 HG3 ARG 40 HG1 ARG 40 7.991 2.516 -7.191 250 HD2 ARG 40 HD2 ARG 40 8.640 3.491 -9.482 251 HD3 ARG 40 HD1 ARG 40 7.574 4.837 -9.077 252 HE ARG 40 HE ARG 40 9.121 5.508 -7.380 253 HH11 ARG 40 1HH1 ARG 40 10.937 4.283 -9.625 254 HH12 ARG 40 2HH1 ARG 40 12.085 3.439 -8.640 255 HH21 ARG 40 1HH2 ARG 40 10.166 3.649 -5.759 256 HH22 ARG 40 2HH2 ARG 40 11.649 3.081 -6.450 257 H ALA 41 H ALA 41 6.809 -0.709 -7.670 258 HA ALA 41 HA ALA 41 6.817 -0.922 -4.783 259 HB1 ALA 41 HB1 ALA 41 7.348 -2.664 -6.851 260 HB2 ALA 41 HB2 ALA 41 7.722 -2.978 -5.156 261 HB3 ALA 41 HB3 ALA 41 8.966 -2.333 -6.228 262 H GLY 42 H GLY 42 8.973 -1.004 -3.559 263 HA2 GLY 42 HA2 GLY 42 10.966 0.083 -2.914 264 HA3 GLY 42 HA1 GLY 42 11.189 0.543 -4.603 265 H LYS 43 H LYS 43 8.133 1.254 -3.178 266 HA LYS 43 HA LYS 43 8.731 4.149 -3.404 267 HB2 LYS 43 HB2 LYS 43 6.671 3.783 -4.396 268 HB3 LYS 43 HB1 LYS 43 6.261 2.465 -3.307 269 HG2 LYS 43 HG2 LYS 43 4.813 4.286 -2.731 270 HG3 LYS 43 HG1 LYS 43 6.027 4.226 -1.467 271 HD2 LYS 43 HD2 LYS 43 7.030 6.183 -2.145 272 HD3 LYS 43 HD1 LYS 43 6.627 5.920 -3.843 273 HE2 LYS 43 HE2 LYS 43 4.401 6.402 -1.893 274 HE3 LYS 43 HE1 LYS 43 5.361 7.776 -2.442 275 HZ1 LYS 43 HZ1 LYS 43 4.939 6.835 -4.763 276 HZ2 LYS 43 HZ2 LYS 43 3.653 7.629 -3.986 277 HZ3 LYS 43 HZ3 LYS 43 3.700 5.931 -4.040 278 H ILE 44 H ILE 44 9.300 5.310 -1.643 279 HA ILE 44 HA ILE 44 9.377 4.178 0.985 280 HB ILE 44 HB ILE 44 10.055 6.738 -0.284 281 HG12 ILE 44 2HG1 ILE 44 11.693 5.072 0.472 282 HG13 ILE 44 1HG1 ILE 44 11.903 6.581 1.363 283 HG21 ILE 44 1HG2 ILE 44 8.819 6.694 2.463 284 HG22 ILE 44 2HG2 ILE 44 8.605 7.877 1.173 285 HG23 ILE 44 3HG2 ILE 44 10.112 7.836 2.090 286 HD11 ILE 44 3HD1 ILE 44 11.507 4.041 2.474 287 HD12 ILE 44 1HD1 ILE 44 9.955 4.856 2.659 288 HD13 ILE 44 2HD1 ILE 44 11.416 5.583 3.324 289 H CYS 45 H CYS 45 7.458 3.541 1.868 290 HA CYS 45 HA CYS 45 5.042 5.201 1.594 291 HB2 CYS 45 HB2 CYS 45 4.027 3.388 3.018 292 HB3 CYS 45 HB1 CYS 45 4.710 2.828 1.496 293 H ARG 46 H ARG 46 7.648 4.793 3.769 294 HA ARG 46 HA ARG 46 6.572 6.862 5.536 295 HB2 ARG 46 HB2 ARG 46 6.236 4.068 6.202 296 HB3 ARG 46 HB1 ARG 46 7.294 4.848 7.378 297 HG2 ARG 46 HG2 ARG 46 5.542 6.727 7.460 298 HG3 ARG 46 HG1 ARG 46 4.471 5.605 6.619 299 HD2 ARG 46 HD2 ARG 46 4.863 3.933 8.430 300 HD3 ARG 46 HD1 ARG 46 5.826 5.136 9.290 301 HE ARG 46 HE ARG 46 2.888 5.328 8.812 302 HH11 ARG 46 1HH1 ARG 46 4.548 5.032 11.466 303 HH12 ARG 46 2HH1 ARG 46 4.330 6.622 12.117 304 HH21 ARG 46 1HH2 ARG 46 3.136 7.960 9.149 305 HH22 ARG 46 2HH2 ARG 46 3.530 8.280 10.806 306 H ILE 47 H ILE 47 8.224 7.236 7.393 307 HA ILE 47 HA ILE 47 10.944 6.959 6.212 308 HB ILE 47 HB ILE 47 9.997 9.239 6.851 309 HG12 ILE 47 2HG1 ILE 47 12.174 9.771 8.242 310 HG13 ILE 47 1HG1 ILE 47 12.585 8.097 7.865 311 HG21 ILE 47 1HG2 ILE 47 9.811 9.823 9.151 312 HG22 ILE 47 2HG2 ILE 47 10.616 8.342 9.671 313 HG23 ILE 47 3HG2 ILE 47 8.984 8.271 9.006 314 HD11 ILE 47 3HD1 ILE 47 11.666 9.120 5.441 315 HD12 ILE 47 1HD1 ILE 47 13.353 8.862 5.884 316 HD13 ILE 47 2HD1 ILE 47 12.609 10.442 6.127 317 H ALA 48 H ALA 48 12.658 6.090 7.473 318 HA ALA 48 HA ALA 48 11.987 3.978 9.261 319 HB1 ALA 48 HB1 ALA 48 14.600 4.648 9.913 320 HB2 ALA 48 HB2 ALA 48 14.437 5.239 8.260 321 HB3 ALA 48 HB3 ALA 48 14.117 3.543 8.626 322 H ARG 49 H ARG 49 11.796 3.912 11.486 323 HA ARG 49 HA ARG 49 12.073 6.529 12.907 324 HB2 ARG 49 HB2 ARG 49 10.152 4.228 13.333 325 HB3 ARG 49 HB1 ARG 49 10.374 5.520 14.515 326 HG2 ARG 49 HG2 ARG 49 10.018 6.637 11.871 327 HG3 ARG 49 HG1 ARG 49 8.679 5.556 12.261 328 HD2 ARG 49 HD2 ARG 49 9.443 7.250 14.521 329 HD3 ARG 49 HD1 ARG 49 8.932 8.186 13.116 330 HE ARG 49 HE ARG 49 6.986 6.231 13.339 331 HH11 ARG 49 1HH2 ARG 49 7.530 9.297 14.445 332 HH12 ARG 49 2HH2 ARG 49 6.492 9.200 15.827 333 HH21 ARG 49 1HH1 ARG 49 6.012 5.776 15.560 334 HH22 ARG 49 2HH1 ARG 49 5.633 7.208 16.459 335 H GLY 50 H GLY 50 14.366 5.895 13.274 336 HA2 GLY 50 HA2 GLY 50 15.180 5.218 15.708 337 HA3 GLY 50 HA1 GLY 50 14.741 3.615 15.136 338 H ASP 51 H ASP 51 15.628 3.594 12.576 339 HA ASP 51 HA ASP 51 18.063 4.738 11.888 340 HB2 ASP 51 HB2 ASP 51 18.345 2.965 14.144 341 HB3 ASP 51 HB1 ASP 51 19.266 2.349 12.771 342 H TRP 52 H TRP 52 16.691 1.481 12.192 343 HA TRP 52 HA TRP 52 17.768 0.207 9.996 344 HB2 TRP 52 HB2 TRP 52 15.469 -0.887 9.710 345 HB3 TRP 52 HB1 TRP 52 16.202 -1.014 11.308 346 HD1 TRP 52 HD TRP 52 13.552 1.020 9.405 347 HE1 TRP 52 HE1 TRP 52 11.866 1.959 11.115 348 HE3 TRP 52 HE3 TRP 52 15.803 -0.436 13.743 349 HZ2 TRP 52 HZ2 TRP 52 11.520 2.074 13.953 350 HZ3 TRP 52 HZ3 TRP 52 14.778 0.098 15.935 351 HH2 TRP 52 HH TRP 52 12.642 1.351 16.046 352 H ASN 53 H ASN 53 16.828 -0.131 7.776 353 HA ASN 53 HA ASN 53 16.619 2.342 6.371 354 HB2 ASN 53 HB2 ASN 53 16.279 -0.539 5.695 355 HB3 ASN 53 HB1 ASN 53 15.561 0.628 4.586 356 HD21 ASN 53 1HD2 ASN 53 16.968 1.490 3.047 357 HD22 ASN 53 2HD2 ASN 53 18.662 1.475 3.163 358 H ASP 54 H ASP 54 14.776 3.290 5.329 359 HA ASP 54 HA ASP 54 12.400 3.374 6.905 360 HB2 ASP 54 HB2 ASP 54 12.620 4.128 3.980 361 HB3 ASP 54 HB1 ASP 54 11.498 4.782 5.174 362 H ASP 55 H ASP 55 10.390 3.227 4.818 363 HA ASP 55 HA ASP 55 10.307 0.261 4.428 364 HB2 ASP 55 HB2 ASP 55 8.033 2.207 4.932 365 HB3 ASP 55 HB1 ASP 55 7.825 0.494 4.566 366 H ARG 56 H ARG 56 9.384 -0.479 2.433 367 HA ARG 56 HA ARG 56 8.997 1.626 0.345 368 HB2 ARG 56 HB2 ARG 56 10.592 -0.938 0.069 369 HB3 ARG 56 HB1 ARG 56 10.215 0.170 -1.249 370 HG2 ARG 56 HG2 ARG 56 11.488 1.324 1.189 371 HG3 ARG 56 HG1 ARG 56 12.505 0.353 0.125 372 HD2 ARG 56 HD2 ARG 56 11.764 1.757 -1.801 373 HD3 ARG 56 HD1 ARG 56 10.860 2.771 -0.676 374 HE ARG 56 HE ARG 56 13.148 3.190 0.428 375 HH11 ARG 56 1HH1 ARG 56 12.814 4.859 -1.992 376 HH12 ARG 56 2HH1 ARG 56 14.238 4.494 -2.909 377 HH21 ARG 56 1HH2 ARG 56 14.966 1.607 -1.132 378 HH22 ARG 56 2HH2 ARG 56 15.456 2.654 -2.422 379 H CYS 57 H CYS 57 7.215 1.268 -0.931 380 HA CYS 57 HA CYS 57 5.450 -0.938 -0.239 381 HB2 CYS 57 HB2 CYS 57 5.322 1.336 -2.197 382 HB3 CYS 57 HB1 CYS 57 4.154 0.019 -2.290 383 H THR 58 H THR 58 4.650 -2.510 -1.807 384 HA THR 58 HA THR 58 6.827 -3.653 -3.369 385 HB THR 58 HB THR 58 5.530 -5.285 -2.284 386 HG1 THR 58 HG1 THR 58 4.216 -6.158 -4.144 387 HG21 THR 58 3HG2 THR 58 3.321 -3.437 -2.946 388 HG22 THR 58 1HG2 THR 58 3.554 -4.452 -1.523 389 HG23 THR 58 2HG2 THR 58 2.909 -5.151 -3.009 390 H GLY 59 H GLY 59 4.456 -1.356 -4.018 391 HA2 GLY 59 HA2 GLY 59 4.146 -0.238 -6.102 392 HA3 GLY 59 HA1 GLY 59 5.023 -1.542 -6.900 393 H GLN 60 H GLN 60 3.127 -3.380 -5.209 394 HA GLN 60 HA GLN 60 0.847 -3.200 -7.133 395 HB2 GLN 60 HB2 GLN 60 1.706 -5.719 -5.704 396 HB3 GLN 60 HB1 GLN 60 0.713 -5.567 -7.153 397 HG2 GLN 60 HG2 GLN 60 2.672 -4.686 -8.390 398 HG3 GLN 60 HG1 GLN 60 3.663 -4.895 -6.946 399 HE21 GLN 60 1HE2 GLN 60 3.410 -7.298 -5.996 400 HE22 GLN 60 2HE2 GLN 60 3.497 -8.534 -7.155 401 H SER 61 H SER 61 1.770 -2.942 -3.879 402 HA SER 61 HA SER 61 -1.050 -3.490 -3.019 403 HB2 SER 61 HB2 SER 61 0.618 -4.966 -1.941 404 HB3 SER 61 HB1 SER 61 1.483 -3.550 -1.351 405 HG SER 61 HG SER 61 -0.783 -3.028 -0.493 406 H ALA 62 H ALA 62 -2.178 -1.669 -2.571 407 HA ALA 62 HA ALA 62 -0.996 0.947 -2.437 408 HB1 ALA 62 HB1 ALA 62 -3.447 0.326 -2.951 409 HB2 ALA 62 HB2 ALA 62 -3.186 1.732 -1.920 410 HB3 ALA 62 HB3 ALA 62 -3.656 0.190 -1.206 411 H ASP 63 H ASP 63 -2.022 -1.382 0.038 412 HA ASP 63 HA ASP 63 -1.290 0.409 2.230 413 HB2 ASP 63 HB2 ASP 63 -2.538 -2.225 1.931 414 HB3 ASP 63 HB1 ASP 63 -1.379 -2.177 3.261 415 H CYS 64 H CYS 64 0.848 0.864 2.414 416 HA CYS 64 HA CYS 64 2.988 -0.549 1.340 417 HB2 CYS 64 HB2 CYS 64 3.351 1.639 2.207 418 HB3 CYS 64 HB1 CYS 64 2.847 1.166 3.824 419 HA PRO 65 HA PRO 65 3.156 -4.229 3.684 420 HB2 PRO 65 HB2 PRO 65 5.523 -5.083 2.615 421 HB3 PRO 65 HB1 PRO 65 3.988 -5.194 1.755 422 HG2 PRO 65 HG2 PRO 65 6.275 -3.349 1.315 423 HG3 PRO 65 HG1 PRO 65 5.023 -3.879 0.179 424 HD2 PRO 65 HD2 PRO 65 5.118 -1.389 1.523 425 HD3 PRO 65 HD1 PRO 65 3.743 -2.047 0.611 426 H ARG 66 H ARG 66 5.462 -5.422 4.602 427 HA ARG 66 HA ARG 66 6.480 -3.407 6.549 428 HB2 ARG 66 HB2 ARG 66 7.129 -5.372 7.913 429 HB3 ARG 66 HB1 ARG 66 5.407 -5.398 7.529 430 HG2 ARG 66 HG2 ARG 66 5.689 -7.442 6.634 431 HG3 ARG 66 HG1 ARG 66 6.699 -6.708 5.387 432 HD2 ARG 66 HD2 ARG 66 8.553 -7.641 6.258 433 HD3 ARG 66 HD1 ARG 66 8.192 -6.969 7.849 434 HE ARG 66 HE ARG 66 7.492 -9.126 8.460 435 HH11 ARG 66 1HH2 ARG 66 8.031 -9.092 5.124 436 HH12 ARG 66 2HH2 ARG 66 7.027 -10.461 4.780 437 HH21 ARG 66 1HH1 ARG 66 5.786 -10.695 8.010 438 HH22 ARG 66 2HH1 ARG 66 5.755 -11.370 6.415 439 H ASN 67 H ASN 67 8.434 -2.576 5.976 440 HA ASN 67 HA ASN 67 10.387 -4.425 4.663 441 HB2 ASN 67 HB2 ASN 67 9.512 -1.691 3.986 442 HB3 ASN 67 HB1 ASN 67 11.263 -1.915 3.993 443 HD21 ASN 67 1HD2 ASN 67 8.442 -3.924 2.939 444 HD22 ASN 67 2HD2 ASN 67 9.104 -4.313 1.426 445 H GLY 68 H GLY 68 9.730 -3.006 7.523 446 HA2 GLY 68 HA2 GLY 68 12.610 -2.437 8.099 447 HA3 GLY 68 HA1 GLY 68 11.272 -1.691 8.975 448 H LEU 69 H LEU 69 11.009 -2.574 10.960 449 HA LEU 69 HA LEU 69 11.539 -5.504 11.268 450 HB2 LEU 69 HB2 LEU 69 11.927 -3.327 13.348 451 HB3 LEU 69 HB1 LEU 69 12.291 -5.043 13.551 452 HG LEU 69 HG LEU 69 13.798 -4.727 11.445 453 HD11 LEU 69 1HD1 LEU 69 14.549 -2.070 12.125 454 HD12 LEU 69 2HD1 LEU 69 12.803 -2.065 11.865 455 HD13 LEU 69 3HD1 LEU 69 13.882 -2.646 10.597 456 HD21 LEU 69 3HD2 LEU 69 15.559 -3.577 13.084 457 HD22 LEU 69 1HD2 LEU 69 14.997 -5.226 13.364 458 HD23 LEU 69 2HD2 LEU 69 14.296 -3.888 14.275 459 H TYR 70 H TYR 70 9.019 -3.950 10.674 460 HA TYR 70 HA TYR 70 7.443 -4.993 12.986 461 HB2 TYR 70 HB2 TYR 70 6.730 -2.476 11.466 462 HB3 TYR 70 HB1 TYR 70 6.026 -3.068 12.972 463 HD1 TYR 70 HD2 TYR 70 7.505 -3.211 15.040 464 HD2 TYR 70 HD1 TYR 70 8.666 -1.108 11.480 465 HE1 TYR 70 HE2 TYR 70 9.221 -1.971 16.332 466 HE2 TYR 70 HE1 TYR 70 10.381 0.132 12.771 467 HH TYR 70 HH TYR 70 10.600 0.770 15.394 468 H GLY 71 H GLY 71 6.548 -6.782 12.013 469 HA2 GLY 71 HA2 GLY 71 4.491 -6.397 10.024 470 HA3 GLY 71 HA1 GLY 71 5.914 -7.157 9.313 Start of MODEL 8 1 H GLY 1 HT1 GLY 1 -14.704 -10.970 -3.621 2 HA2 GLY 1 HA1 GLY 1 -15.585 -9.360 -5.306 3 HA3 GLY 1 HA2 GLY 1 -17.187 -9.967 -4.887 4 H LYS 2 H LYS 2 -14.788 -7.728 -4.051 5 HA LYS 2 HA LYS 2 -15.401 -7.515 -1.212 6 HB2 LYS 2 HB2 LYS 2 -14.240 -5.284 -2.871 7 HB3 LYS 2 HB1 LYS 2 -13.904 -5.700 -1.190 8 HG2 LYS 2 HG2 LYS 2 -12.136 -6.902 -1.889 9 HG3 LYS 2 HG1 LYS 2 -13.254 -7.993 -2.710 10 HD2 LYS 2 HD2 LYS 2 -13.258 -6.269 -4.623 11 HD3 LYS 2 HD1 LYS 2 -11.840 -5.575 -3.837 12 HE2 LYS 2 HE2 LYS 2 -11.690 -8.492 -4.099 13 HE3 LYS 2 HE1 LYS 2 -11.799 -7.664 -5.652 14 HZ1 LYS 2 HZ1 LYS 2 -9.611 -7.377 -5.384 15 HZ2 LYS 2 HZ2 LYS 2 -9.663 -7.671 -3.710 16 HZ3 LYS 2 HZ3 LYS 2 -10.045 -6.131 -4.317 17 H GLU 3 H GLU 3 -16.299 -5.335 -0.365 18 HA GLU 3 HA GLU 3 -18.476 -4.382 -2.174 19 HB2 GLU 3 HB2 GLU 3 -19.143 -6.009 -0.248 20 HB3 GLU 3 HB1 GLU 3 -18.874 -4.615 0.800 21 HG2 GLU 3 HG2 GLU 3 -20.379 -3.621 -1.351 22 HG3 GLU 3 HG1 GLU 3 -21.117 -5.173 -0.955 23 H CYS 4 H CYS 4 -15.959 -3.559 0.036 24 HA CYS 4 HA CYS 4 -16.457 -0.741 -0.561 25 HB2 CYS 4 HB2 CYS 4 -17.875 -0.971 1.394 26 HB3 CYS 4 HB1 CYS 4 -16.569 -1.747 2.291 27 H ASP 5 H ASP 5 -14.422 -0.563 -1.452 28 HA ASP 5 HA ASP 5 -12.069 -1.383 0.164 29 HB2 ASP 5 HB2 ASP 5 -12.625 -0.999 -2.690 30 HB3 ASP 5 HB1 ASP 5 -11.123 -0.226 -2.180 31 H CYS 6 H CYS 6 -14.032 1.172 0.184 32 HA CYS 6 HA CYS 6 -11.878 3.006 1.033 33 HB2 CYS 6 HB2 CYS 6 -13.680 3.433 -1.324 34 HB3 CYS 6 HB1 CYS 6 -13.215 4.826 -0.349 35 H SER 7 H SER 7 -12.584 4.319 2.714 36 HA SER 7 HA SER 7 -15.474 4.060 3.436 37 HB2 SER 7 HB2 SER 7 -13.974 4.990 5.659 38 HB3 SER 7 HB1 SER 7 -14.739 3.416 5.460 39 HG SER 7 HG SER 7 -12.685 2.840 5.599 40 H SER 8 H SER 8 -14.235 6.088 1.633 41 HA SER 8 HA SER 8 -14.964 8.507 3.229 42 HB2 SER 8 HB2 SER 8 -13.072 8.710 0.917 43 HB3 SER 8 HB1 SER 8 -13.199 9.731 2.346 44 HG SER 8 HG SER 8 -12.592 7.554 3.408 45 HA PRO 9 HA PRO 9 -17.928 8.803 -0.096 46 HB2 PRO 9 HB2 PRO 9 -19.202 11.026 0.898 47 HB3 PRO 9 HB1 PRO 9 -19.484 9.385 1.505 48 HG2 PRO 9 HG2 PRO 9 -17.945 11.611 2.760 49 HG3 PRO 9 HG1 PRO 9 -18.779 10.250 3.528 50 HD2 PRO 9 HD2 PRO 9 -15.990 10.452 3.097 51 HD3 PRO 9 HD1 PRO 9 -16.872 8.977 3.547 52 H GLU 10 H GLU 10 -15.439 10.986 0.728 53 HA GLU 10 HA GLU 10 -16.083 12.768 -1.581 54 HB2 GLU 10 HB2 GLU 10 -15.210 13.359 1.008 55 HB3 GLU 10 HB1 GLU 10 -13.763 13.533 0.013 56 HG2 GLU 10 HG2 GLU 10 -16.318 14.709 -1.004 57 HG3 GLU 10 HG1 GLU 10 -15.476 15.549 0.299 58 H ASN 11 H ASN 11 -14.915 10.009 -1.713 59 HA ASN 11 HA ASN 11 -12.218 10.667 -2.797 60 HB2 ASN 11 HB2 ASN 11 -12.754 8.767 -1.023 61 HB3 ASN 11 HB1 ASN 11 -13.182 7.853 -2.470 62 HD21 ASN 11 1HD2 ASN 11 -10.878 7.223 -0.811 63 HD22 ASN 11 2HD2 ASN 11 -9.488 7.477 -1.751 64 HA PRO 12 HA PRO 12 -14.249 10.110 -6.750 65 HB2 PRO 12 HB2 PRO 12 -12.076 10.893 -8.241 66 HB3 PRO 12 HB1 PRO 12 -13.182 12.033 -7.454 67 HG2 PRO 12 HG2 PRO 12 -10.411 11.258 -6.664 68 HG3 PRO 12 HG1 PRO 12 -11.289 12.763 -6.346 69 HD2 PRO 12 HD2 PRO 12 -10.888 10.661 -4.498 70 HD3 PRO 12 HD1 PRO 12 -12.036 12.004 -4.316 71 H CYS 13 H CYS 13 -11.628 8.444 -5.384 72 HA CYS 13 HA CYS 13 -10.970 6.775 -7.655 73 HB2 CYS 13 HB2 CYS 13 -9.180 7.036 -6.138 74 HB3 CYS 13 HB1 CYS 13 -10.223 6.878 -4.734 75 H CYS 14 H CYS 14 -12.664 6.398 -4.568 76 HA CYS 14 HA CYS 14 -13.854 3.888 -5.634 77 HB2 CYS 14 HB2 CYS 14 -13.819 4.798 -2.764 78 HB3 CYS 14 HB1 CYS 14 -14.058 3.173 -3.393 79 H ASP 15 H ASP 15 -16.005 3.722 -5.875 80 HA ASP 15 HA ASP 15 -17.686 6.057 -5.781 81 HB2 ASP 15 HB2 ASP 15 -17.853 3.729 -7.103 82 HB3 ASP 15 HB1 ASP 15 -18.863 3.313 -5.721 83 H ALA 16 H ALA 16 -18.904 6.803 -4.075 84 HA ALA 16 HA ALA 16 -18.520 5.716 -1.436 85 HB1 ALA 16 HB1 ALA 16 -19.065 8.128 -1.985 86 HB2 ALA 16 HB2 ALA 16 -20.044 7.430 -0.695 87 HB3 ALA 16 HB3 ALA 16 -20.717 7.607 -2.316 88 H ALA 17 H ALA 17 -21.412 5.806 -3.552 89 HA ALA 17 HA ALA 17 -23.166 4.342 -1.933 90 HB1 ALA 17 HB1 ALA 17 -24.091 3.458 -4.171 91 HB2 ALA 17 HB2 ALA 17 -22.815 4.406 -4.934 92 HB3 ALA 17 HB3 ALA 17 -24.048 5.209 -3.963 93 H THR 18 H THR 18 -20.907 3.023 -4.376 94 HA THR 18 HA THR 18 -21.374 0.285 -3.485 95 HB THR 18 HB THR 18 -19.945 -0.350 -5.222 96 HG1 THR 18 HG1 THR 18 -18.139 0.707 -5.705 97 HG21 THR 18 3HG2 THR 18 -21.755 1.698 -5.740 98 HG22 THR 18 1HG2 THR 18 -20.991 0.663 -6.946 99 HG23 THR 18 2HG2 THR 18 -20.279 2.227 -6.549 100 H CYS 19 H CYS 19 -19.153 2.866 -2.724 101 HA CYS 19 HA CYS 19 -17.628 3.031 -0.935 102 HB2 CYS 19 HB2 CYS 19 -19.406 1.247 0.020 103 HB3 CYS 19 HB1 CYS 19 -18.009 0.185 -0.130 104 H LYS 20 H LYS 20 -17.268 1.444 -3.675 105 HA LYS 20 HA LYS 20 -14.539 0.469 -2.927 106 HB2 LYS 20 HB2 LYS 20 -15.954 -0.862 -5.185 107 HB3 LYS 20 HB1 LYS 20 -14.762 -1.516 -4.066 108 HG2 LYS 20 HG2 LYS 20 -16.371 -1.810 -2.344 109 HG3 LYS 20 HG1 LYS 20 -17.541 -0.761 -3.144 110 HD2 LYS 20 HD2 LYS 20 -16.637 -3.508 -4.043 111 HD3 LYS 20 HD1 LYS 20 -18.248 -3.041 -3.498 112 HE2 LYS 20 HE2 LYS 20 -18.128 -1.314 -5.463 113 HE3 LYS 20 HE1 LYS 20 -16.863 -2.374 -6.082 114 HZ1 LYS 20 HZ1 LYS 20 -18.747 -4.143 -5.421 115 HZ2 LYS 20 HZ2 LYS 20 -18.593 -3.463 -6.971 116 HZ3 LYS 20 HZ3 LYS 20 -19.717 -2.824 -5.869 117 H LEU 21 H LEU 21 -13.415 -0.086 -5.235 118 HA LEU 21 HA LEU 21 -12.948 2.492 -6.446 119 HB2 LEU 21 HB2 LEU 21 -12.034 -0.319 -7.059 120 HB3 LEU 21 HB1 LEU 21 -11.577 1.049 -8.077 121 HG LEU 21 HG LEU 21 -11.077 1.999 -5.532 122 HD11 LEU 21 1HD1 LEU 21 -11.470 -0.363 -4.711 123 HD12 LEU 21 2HD1 LEU 21 -9.877 0.290 -4.330 124 HD13 LEU 21 3HD1 LEU 21 -10.066 -0.854 -5.659 125 HD21 LEU 21 3HD2 LEU 21 -9.742 1.798 -7.840 126 HD22 LEU 21 1HD2 LEU 21 -8.905 0.527 -6.951 127 HD23 LEU 21 2HD2 LEU 21 -8.919 2.176 -6.326 128 H ARG 22 H ARG 22 -14.225 3.405 -7.984 129 HA ARG 22 HA ARG 22 -16.121 1.711 -9.478 130 HB2 ARG 22 HB2 ARG 22 -16.222 4.310 -8.459 131 HB3 ARG 22 HB1 ARG 22 -16.137 4.521 -10.210 132 HG2 ARG 22 HG2 ARG 22 -18.107 2.750 -8.731 133 HG3 ARG 22 HG1 ARG 22 -18.480 4.297 -9.493 134 HD2 ARG 22 HD2 ARG 22 -18.243 3.446 -11.651 135 HD3 ARG 22 HD1 ARG 22 -17.194 2.130 -11.125 136 HE ARG 22 HE ARG 22 -19.727 1.718 -9.926 137 HH11 ARG 22 1HH2 ARG 22 -17.883 0.264 -12.137 138 HH12 ARG 22 2HH2 ARG 22 -19.135 -0.155 -13.259 139 HH21 ARG 22 1HH1 ARG 22 -21.521 1.864 -11.756 140 HH22 ARG 22 2HH1 ARG 22 -21.195 0.750 -13.043 141 HA PRO 23 HA PRO 23 -13.660 3.631 -13.095 142 HB2 PRO 23 HB2 PRO 23 -11.322 4.944 -12.493 143 HB3 PRO 23 HB1 PRO 23 -12.901 5.739 -12.598 144 HG2 PRO 23 HG2 PRO 23 -11.302 5.064 -10.181 145 HG3 PRO 23 HG1 PRO 23 -12.533 6.319 -10.396 146 HD2 PRO 23 HD2 PRO 23 -12.885 3.813 -9.107 147 HD3 PRO 23 HD1 PRO 23 -14.170 4.958 -9.549 148 H GLY 24 H GLY 24 -11.275 3.276 -14.085 149 HA2 GLY 24 HA2 GLY 24 -10.539 0.536 -13.333 150 HA3 GLY 24 HA1 GLY 24 -9.907 1.439 -14.709 151 H ALA 25 H ALA 25 -9.800 1.466 -11.139 152 HA ALA 25 HA ALA 25 -6.970 2.424 -11.321 153 HB1 ALA 25 HB1 ALA 25 -9.017 3.608 -10.000 154 HB2 ALA 25 HB2 ALA 25 -7.318 3.731 -9.544 155 HB3 ALA 25 HB3 ALA 25 -8.355 2.557 -8.747 156 H GLN 26 H GLN 26 -6.721 1.747 -8.394 157 HA GLN 26 HA GLN 26 -6.893 -1.213 -8.435 158 HB2 GLN 26 HB2 GLN 26 -4.514 0.066 -9.031 159 HB3 GLN 26 HB1 GLN 26 -4.368 -0.250 -7.300 160 HG2 GLN 26 HG2 GLN 26 -4.383 -2.529 -7.572 161 HG3 GLN 26 HG1 GLN 26 -5.441 -2.457 -8.976 162 HE21 GLN 26 1HE2 GLN 26 -2.938 -3.983 -8.864 163 HE22 GLN 26 2HE2 GLN 26 -1.899 -3.316 -10.030 164 H CYS 27 H CYS 27 -6.004 1.681 -6.532 165 HA CYS 27 HA CYS 27 -7.599 0.606 -4.284 166 HB2 CYS 27 HB2 CYS 27 -5.504 -0.271 -3.607 167 HB3 CYS 27 HB1 CYS 27 -4.623 1.145 -4.170 168 H GLY 28 H GLY 28 -8.256 2.296 -2.810 169 HA2 GLY 28 HA2 GLY 28 -7.890 5.016 -3.972 170 HA3 GLY 28 HA1 GLY 28 -9.334 4.506 -3.119 171 H GLU 29 H GLU 29 -7.364 3.136 -1.156 172 HA GLU 29 HA GLU 29 -6.270 5.567 0.110 173 HB2 GLU 29 HB2 GLU 29 -7.437 5.051 2.221 174 HB3 GLU 29 HB1 GLU 29 -8.562 5.429 0.923 175 HG2 GLU 29 HG2 GLU 29 -9.584 3.479 1.420 176 HG3 GLU 29 HG1 GLU 29 -8.194 2.690 0.673 177 H GLY 30 H GLY 30 -4.268 5.079 0.732 178 HA2 GLY 30 HA2 GLY 30 -3.388 3.137 2.477 179 HA3 GLY 30 HA1 GLY 30 -3.343 2.321 0.911 180 H LEU 31 H LEU 31 -0.966 2.913 2.412 181 HA LEU 31 HA LEU 31 0.269 5.352 1.558 182 HB2 LEU 31 HB2 LEU 31 1.102 2.889 2.903 183 HB3 LEU 31 HB1 LEU 31 2.354 3.544 1.849 184 HG LEU 31 HG LEU 31 2.300 5.668 2.959 185 HD11 LEU 31 1HD1 LEU 31 -0.374 4.805 3.645 186 HD12 LEU 31 2HD1 LEU 31 0.320 6.426 3.718 187 HD13 LEU 31 3HD1 LEU 31 0.484 5.334 5.093 188 HD21 LEU 31 3HD2 LEU 31 1.972 3.810 5.295 189 HD22 LEU 31 1HD2 LEU 31 3.195 5.051 5.021 190 HD23 LEU 31 2HD2 LEU 31 3.280 3.521 4.148 191 H CYS 32 H CYS 32 -0.648 2.621 -0.205 192 HA CYS 32 HA CYS 32 1.247 3.386 -2.378 193 HB2 CYS 32 HB2 CYS 32 0.976 0.874 -1.123 194 HB3 CYS 32 HB1 CYS 32 0.205 0.709 -2.701 195 H CYS 33 H CYS 33 -1.355 4.547 -1.938 196 HA CYS 33 HA CYS 33 -2.788 3.471 -4.337 197 HB2 CYS 33 HB2 CYS 33 -4.112 4.847 -1.985 198 HB3 CYS 33 HB1 CYS 33 -4.897 3.983 -3.306 199 H GLU 34 H GLU 34 -1.921 4.968 -5.799 200 HA GLU 34 HA GLU 34 -2.460 7.847 -5.192 201 HB2 GLU 34 HB2 GLU 34 -0.527 6.853 -7.285 202 HB3 GLU 34 HB1 GLU 34 -0.589 8.438 -6.516 203 HG2 GLU 34 HG2 GLU 34 0.005 5.878 -5.011 204 HG3 GLU 34 HG1 GLU 34 1.257 6.937 -5.661 205 H GLN 35 H GLN 35 -3.957 8.826 -6.472 206 HA GLN 35 HA GLN 35 -5.467 9.161 -8.235 207 HB2 GLN 35 HB2 GLN 35 -3.193 8.949 -9.494 208 HB3 GLN 35 HB1 GLN 35 -3.772 7.343 -9.938 209 HG2 GLN 35 HG2 GLN 35 -4.413 8.909 -11.685 210 HG3 GLN 35 HG1 GLN 35 -5.865 8.401 -10.820 211 HE21 GLN 35 1HE2 GLN 35 -7.182 10.081 -10.094 212 HE22 GLN 35 2HE2 GLN 35 -6.676 11.685 -9.869 213 H CYS 36 H CYS 36 -5.663 6.828 -6.398 214 HA CYS 36 HA CYS 36 -7.295 5.150 -6.156 215 HB2 CYS 36 HB2 CYS 36 -8.460 6.474 -8.078 216 HB3 CYS 36 HB1 CYS 36 -7.843 5.240 -9.108 217 H LYS 37 H LYS 37 -4.507 5.064 -7.985 218 HA LYS 37 HA LYS 37 -4.794 2.143 -8.540 219 HB2 LYS 37 HB2 LYS 37 -3.444 4.360 -9.901 220 HB3 LYS 37 HB1 LYS 37 -2.434 2.924 -9.725 221 HG2 LYS 37 HG2 LYS 37 -3.694 1.711 -11.169 222 HG3 LYS 37 HG1 LYS 37 -5.207 2.354 -10.533 223 HD2 LYS 37 HD2 LYS 37 -5.291 4.027 -12.073 224 HD3 LYS 37 HD1 LYS 37 -3.555 4.321 -11.986 225 HE2 LYS 37 HE2 LYS 37 -3.177 3.066 -13.816 226 HE3 LYS 37 HE1 LYS 37 -4.098 1.719 -13.146 227 HZ1 LYS 37 HZ1 LYS 37 -5.816 3.843 -13.911 228 HZ2 LYS 37 HZ2 LYS 37 -5.819 2.222 -14.422 229 HZ3 LYS 37 HZ3 LYS 37 -4.848 3.366 -15.220 230 H PHE 38 H PHE 38 -2.693 0.899 -8.321 231 HA PHE 38 HA PHE 38 -1.677 1.206 -5.600 232 HB2 PHE 38 HB2 PHE 38 -1.233 -0.723 -7.864 233 HB3 PHE 38 HB1 PHE 38 -0.112 -0.713 -6.509 234 HD1 PHE 38 HD1 PHE 38 -2.498 0.117 -4.492 235 HD2 PHE 38 HD2 PHE 38 -1.885 -3.014 -7.374 236 HE1 PHE 38 HE1 PHE 38 -4.047 -1.355 -3.238 237 HE2 PHE 38 HE2 PHE 38 -3.437 -4.474 -6.115 238 HZ PHE 38 HZ PHE 38 -4.518 -3.644 -4.047 239 H SER 39 H SER 39 0.162 2.337 -5.060 240 HA SER 39 HA SER 39 1.647 3.826 -6.999 241 HB2 SER 39 HB2 SER 39 1.804 3.342 -4.122 242 HB3 SER 39 HB1 SER 39 3.397 3.452 -4.859 243 HG SER 39 HG SER 39 2.704 5.423 -5.815 244 H ARG 40 H ARG 40 4.141 3.439 -7.251 245 HA ARG 40 HA ARG 40 4.446 0.688 -8.239 246 HB2 ARG 40 HB2 ARG 40 6.005 3.236 -8.480 247 HB3 ARG 40 HB1 ARG 40 6.831 1.707 -8.784 248 HG2 ARG 40 HG2 ARG 40 5.646 1.291 -10.696 249 HG3 ARG 40 HG1 ARG 40 4.170 2.021 -10.063 250 HD2 ARG 40 HD2 ARG 40 4.960 3.456 -11.827 251 HD3 ARG 40 HD1 ARG 40 5.303 4.275 -10.303 252 HE ARG 40 HE ARG 40 7.596 4.075 -10.792 253 HH11 ARG 40 1HH1 ARG 40 5.697 1.861 -12.641 254 HH12 ARG 40 2HH1 ARG 40 7.042 1.279 -13.563 255 HH21 ARG 40 1HH2 ARG 40 9.360 3.305 -11.971 256 HH22 ARG 40 2HH2 ARG 40 9.112 2.096 -13.185 257 H ALA 41 H ALA 41 6.298 -0.647 -7.616 258 HA ALA 41 HA ALA 41 6.673 -0.752 -4.755 259 HB1 ALA 41 HB1 ALA 41 7.841 -2.743 -5.147 260 HB2 ALA 41 HB2 ALA 41 8.482 -2.177 -6.689 261 HB3 ALA 41 HB3 ALA 41 6.792 -2.667 -6.563 262 H GLY 42 H GLY 42 8.955 -0.786 -3.798 263 HA2 GLY 42 HA2 GLY 42 11.019 0.304 -3.446 264 HA3 GLY 42 HA1 GLY 42 11.038 0.683 -5.169 265 H LYS 43 H LYS 43 8.227 1.495 -3.302 266 HA LYS 43 HA LYS 43 8.926 4.376 -3.696 267 HB2 LYS 43 HB2 LYS 43 6.845 4.377 -4.575 268 HB3 LYS 43 HB1 LYS 43 6.468 2.804 -3.888 269 HG2 LYS 43 HG2 LYS 43 4.916 4.367 -2.928 270 HG3 LYS 43 HG1 LYS 43 6.087 3.995 -1.665 271 HD2 LYS 43 HD2 LYS 43 6.327 6.241 -1.482 272 HD3 LYS 43 HD1 LYS 43 7.277 6.115 -2.962 273 HE2 LYS 43 HE2 LYS 43 4.759 6.163 -3.992 274 HE3 LYS 43 HE1 LYS 43 4.541 7.169 -2.560 275 HZ1 LYS 43 HZ1 LYS 43 6.950 7.910 -3.736 276 HZ2 LYS 43 HZ2 LYS 43 5.513 8.815 -3.647 277 HZ3 LYS 43 HZ3 LYS 43 5.811 7.816 -4.988 278 H ILE 44 H ILE 44 9.506 5.571 -1.964 279 HA ILE 44 HA ILE 44 9.719 4.502 0.663 280 HB ILE 44 HB ILE 44 11.078 6.395 0.062 281 HG12 ILE 44 2HG1 ILE 44 10.379 8.089 1.823 282 HG13 ILE 44 1HG1 ILE 44 8.930 7.118 2.075 283 HG21 ILE 44 1HG2 ILE 44 8.946 8.399 -0.039 284 HG22 ILE 44 2HG2 ILE 44 8.835 7.213 -1.339 285 HG23 ILE 44 3HG2 ILE 44 10.310 8.157 -1.129 286 HD11 ILE 44 3HD1 ILE 44 11.758 6.059 2.305 287 HD12 ILE 44 1HD1 ILE 44 10.274 5.185 2.683 288 HD13 ILE 44 2HD1 ILE 44 10.765 6.559 3.674 289 H CYS 45 H CYS 45 7.626 3.583 1.099 290 HA CYS 45 HA CYS 45 5.208 5.163 1.120 291 HB2 CYS 45 HB2 CYS 45 4.385 3.261 2.641 292 HB3 CYS 45 HB1 CYS 45 4.910 2.797 1.023 293 H ARG 46 H ARG 46 7.688 4.428 3.522 294 HA ARG 46 HA ARG 46 6.616 6.622 5.199 295 HB2 ARG 46 HB2 ARG 46 5.657 4.325 5.913 296 HB3 ARG 46 HB1 ARG 46 7.292 3.973 6.476 297 HG2 ARG 46 HG2 ARG 46 7.259 5.853 7.983 298 HG3 ARG 46 HG1 ARG 46 5.740 6.439 7.302 299 HD2 ARG 46 HD2 ARG 46 4.538 5.085 8.642 300 HD3 ARG 46 HD1 ARG 46 5.488 3.679 8.160 301 HE ARG 46 HE ARG 46 7.063 4.209 9.972 302 HH11 ARG 46 1HH1 ARG 46 3.826 4.884 10.410 303 HH12 ARG 46 2HH1 ARG 46 4.034 5.904 11.794 304 HH21 ARG 46 1HH2 ARG 46 7.488 6.027 11.515 305 HH22 ARG 46 2HH2 ARG 46 6.107 6.552 12.419 306 H ILE 47 H ILE 47 8.219 7.294 6.855 307 HA ILE 47 HA ILE 47 10.962 6.954 5.810 308 HB ILE 47 HB ILE 47 10.129 9.224 6.370 309 HG12 ILE 47 2HG1 ILE 47 12.048 9.823 7.940 310 HG13 ILE 47 1HG1 ILE 47 12.392 8.094 8.035 311 HG21 ILE 47 1HG2 ILE 47 9.640 9.842 8.648 312 HG22 ILE 47 2HG2 ILE 47 10.152 8.262 9.242 313 HG23 ILE 47 3HG2 ILE 47 8.681 8.410 8.281 314 HD11 ILE 47 3HD1 ILE 47 12.950 7.952 5.753 315 HD12 ILE 47 1HD1 ILE 47 13.653 9.493 6.244 316 HD13 ILE 47 2HD1 ILE 47 12.124 9.461 5.364 317 H ALA 48 H ALA 48 12.705 6.222 7.149 318 HA ALA 48 HA ALA 48 11.960 4.110 8.995 319 HB1 ALA 48 HB1 ALA 48 14.455 3.943 9.338 320 HB2 ALA 48 HB2 ALA 48 14.636 5.324 8.257 321 HB3 ALA 48 HB3 ALA 48 13.949 3.817 7.653 322 H ARG 49 H ARG 49 12.778 4.021 11.255 323 HA ARG 49 HA ARG 49 12.319 6.609 12.602 324 HB2 ARG 49 HB2 ARG 49 12.684 3.788 13.661 325 HB3 ARG 49 HB1 ARG 49 12.391 5.197 14.682 326 HG2 ARG 49 HG2 ARG 49 10.454 5.226 12.586 327 HG3 ARG 49 HG1 ARG 49 10.472 3.605 13.282 328 HD2 ARG 49 HD2 ARG 49 9.948 6.233 14.667 329 HD3 ARG 49 HD1 ARG 49 8.940 4.786 14.641 330 HE ARG 49 HE ARG 49 11.395 4.072 15.858 331 HH11 ARG 49 1HH1 ARG 49 8.785 3.599 17.183 332 HH12 ARG 49 2HH1 ARG 49 8.847 4.671 18.542 333 HH21 ARG 49 1HH2 ARG 49 11.452 6.570 17.264 334 HH22 ARG 49 2HH2 ARG 49 10.357 6.353 18.588 335 H GLY 50 H GLY 50 14.428 7.425 11.685 336 HA2 GLY 50 HA2 GLY 50 16.426 7.981 13.350 337 HA3 GLY 50 HA1 GLY 50 16.837 6.304 13.001 338 H ASP 51 H ASP 51 17.758 5.812 11.014 339 HA ASP 51 HA ASP 51 17.667 7.472 8.695 340 HB2 ASP 51 HB2 ASP 51 19.585 8.259 10.742 341 HB3 ASP 51 HB1 ASP 51 20.384 7.862 9.221 342 H TRP 52 H TRP 52 17.364 4.814 8.843 343 HA TRP 52 HA TRP 52 19.916 3.773 7.696 344 HB2 TRP 52 HB2 TRP 52 18.923 1.493 8.665 345 HB3 TRP 52 HB1 TRP 52 19.925 2.552 9.651 346 HD1 TRP 52 HD TRP 52 16.142 2.626 8.764 347 HE1 TRP 52 HE1 TRP 52 14.825 2.937 10.957 348 HE3 TRP 52 HE3 TRP 52 20.003 2.711 12.110 349 HZ2 TRP 52 HZ2 TRP 52 15.339 3.189 13.760 350 HZ3 TRP 52 HZ3 TRP 52 19.559 2.991 14.532 351 HH2 TRP 52 HH TRP 52 17.235 3.229 15.360 352 H ASN 53 H ASN 53 17.306 1.543 7.852 353 HA ASN 53 HA ASN 53 16.954 1.834 4.929 354 HB2 ASN 53 HB2 ASN 53 17.063 -0.367 6.685 355 HB3 ASN 53 HB1 ASN 53 15.392 -0.290 6.126 356 HD21 ASN 53 1HD2 ASN 53 16.602 -2.463 5.143 357 HD22 ASN 53 2HD2 ASN 53 17.122 -2.257 3.540 358 H ASP 54 H ASP 54 15.286 3.058 4.208 359 HA ASP 54 HA ASP 54 13.149 3.930 5.970 360 HB2 ASP 54 HB2 ASP 54 12.998 4.130 2.973 361 HB3 ASP 54 HB1 ASP 54 12.455 5.282 4.194 362 H ASP 55 H ASP 55 11.028 3.722 3.916 363 HA ASP 55 HA ASP 55 10.493 0.785 4.058 364 HB2 ASP 55 HB2 ASP 55 8.551 3.059 4.573 365 HB3 ASP 55 HB1 ASP 55 8.100 1.357 4.467 366 H ARG 56 H ARG 56 10.514 0.106 1.976 367 HA ARG 56 HA ARG 56 9.683 1.948 -0.189 368 HB2 ARG 56 HB2 ARG 56 10.758 -0.877 -0.378 369 HB3 ARG 56 HB1 ARG 56 10.636 0.301 -1.682 370 HG2 ARG 56 HG2 ARG 56 12.082 1.374 0.611 371 HG3 ARG 56 HG1 ARG 56 12.845 -0.085 -0.025 372 HD2 ARG 56 HD2 ARG 56 12.899 0.875 -2.269 373 HD3 ARG 56 HD1 ARG 56 12.033 2.305 -1.706 374 HE ARG 56 HE ARG 56 14.095 2.652 -0.185 375 HH11 ARG 56 1HH1 ARG 56 14.719 0.139 -2.274 376 HH12 ARG 56 2HH1 ARG 56 16.127 0.839 -2.999 377 HH21 ARG 56 1HH2 ARG 56 15.671 3.942 -1.524 378 HH22 ARG 56 2HH2 ARG 56 16.667 2.990 -2.574 379 H CYS 57 H CYS 57 7.859 1.684 -1.397 380 HA CYS 57 HA CYS 57 5.705 0.060 -0.369 381 HB2 CYS 57 HB2 CYS 57 5.988 2.175 -2.225 382 HB3 CYS 57 HB1 CYS 57 5.314 0.824 -3.129 383 H THR 58 H THR 58 4.874 -1.865 -1.229 384 HA THR 58 HA THR 58 6.755 -3.640 -2.496 385 HB THR 58 HB THR 58 4.095 -4.635 -2.780 386 HG1 THR 58 HG1 THR 58 4.108 -4.240 -0.176 387 HG21 THR 58 3HG2 THR 58 5.535 -6.297 -2.188 388 HG22 THR 58 1HG2 THR 58 5.105 -5.829 -0.543 389 HG23 THR 58 2HG2 THR 58 6.578 -5.201 -1.282 390 H GLY 59 H GLY 59 4.230 -1.522 -3.680 391 HA2 GLY 59 HA2 GLY 59 4.330 -0.762 -6.008 392 HA3 GLY 59 HA1 GLY 59 4.960 -2.346 -6.453 393 H GLN 60 H GLN 60 3.072 -3.924 -4.973 394 HA GLN 60 HA GLN 60 0.578 -3.291 -6.503 395 HB2 GLN 60 HB2 GLN 60 0.248 -5.875 -6.237 396 HB3 GLN 60 HB1 GLN 60 1.358 -5.274 -7.470 397 HG2 GLN 60 HG2 GLN 60 3.261 -5.826 -6.210 398 HG3 GLN 60 HG1 GLN 60 2.359 -5.878 -4.695 399 HE21 GLN 60 1HE2 GLN 60 2.143 -7.997 -3.977 400 HE22 GLN 60 2HE2 GLN 60 1.912 -9.350 -4.976 401 H SER 61 H SER 61 1.836 -3.329 -3.437 402 HA SER 61 HA SER 61 -0.737 -4.234 -2.223 403 HB2 SER 61 HB2 SER 61 1.867 -4.864 -1.532 404 HB3 SER 61 HB1 SER 61 1.457 -3.593 -0.383 405 HG SER 61 HG SER 61 -0.257 -5.779 -0.940 406 H ALA 62 H ALA 62 -2.108 -2.555 -1.870 407 HA ALA 62 HA ALA 62 -1.369 0.190 -1.865 408 HB1 ALA 62 HB1 ALA 62 -3.778 -1.371 -1.107 409 HB2 ALA 62 HB2 ALA 62 -3.634 0.043 -2.148 410 HB3 ALA 62 HB3 ALA 62 -3.643 0.236 -0.396 411 H ASP 63 H ASP 63 -1.475 -2.201 0.707 412 HA ASP 63 HA ASP 63 -0.907 -0.126 2.744 413 HB2 ASP 63 HB2 ASP 63 -1.677 -3.020 2.795 414 HB3 ASP 63 HB1 ASP 63 -0.791 -2.369 4.176 415 H CYS 64 H CYS 64 1.207 0.532 2.507 416 HA CYS 64 HA CYS 64 3.405 -0.952 1.596 417 HB2 CYS 64 HB2 CYS 64 3.772 1.366 1.906 418 HB3 CYS 64 HB1 CYS 64 3.173 1.328 3.562 419 HA PRO 65 HA PRO 65 4.036 -3.926 4.726 420 HB2 PRO 65 HB2 PRO 65 6.507 -4.707 3.852 421 HB3 PRO 65 HB1 PRO 65 5.011 -5.208 3.068 422 HG2 PRO 65 HG2 PRO 65 7.057 -3.246 2.171 423 HG3 PRO 65 HG1 PRO 65 5.903 -4.185 1.208 424 HD2 PRO 65 HD2 PRO 65 5.655 -1.457 1.911 425 HD3 PRO 65 HD1 PRO 65 4.382 -2.484 1.218 426 H ARG 66 H ARG 66 6.407 -4.550 5.954 427 HA ARG 66 HA ARG 66 7.287 -1.933 7.108 428 HB2 ARG 66 HB2 ARG 66 5.990 -3.582 8.599 429 HB3 ARG 66 HB1 ARG 66 7.432 -4.595 8.530 430 HG2 ARG 66 HG2 ARG 66 8.621 -3.213 9.889 431 HG3 ARG 66 HG1 ARG 66 7.967 -1.759 9.137 432 HD2 ARG 66 HD2 ARG 66 6.588 -3.506 11.194 433 HD3 ARG 66 HD1 ARG 66 7.182 -1.863 11.434 434 HE ARG 66 HE ARG 66 5.424 -1.518 9.377 435 HH11 ARG 66 1HH2 ARG 66 4.816 -4.085 11.402 436 HH12 ARG 66 2HH2 ARG 66 3.315 -3.487 12.025 437 HH21 ARG 66 1HH1 ARG 66 3.670 -0.346 10.600 438 HH22 ARG 66 2HH1 ARG 66 2.666 -1.369 11.571 439 H ASN 67 H ASN 67 9.301 -1.457 6.378 440 HA ASN 67 HA ASN 67 11.168 -3.702 5.795 441 HB2 ASN 67 HB2 ASN 67 10.618 -1.191 4.531 442 HB3 ASN 67 HB1 ASN 67 12.292 -1.179 5.087 443 HD21 ASN 67 1HD2 ASN 67 10.169 -3.785 3.756 444 HD22 ASN 67 2HD2 ASN 67 11.267 -4.264 2.555 445 H GLY 68 H GLY 68 10.455 -1.494 8.231 446 HA2 GLY 68 HA2 GLY 68 13.089 -0.766 9.114 447 HA3 GLY 68 HA1 GLY 68 11.644 -0.778 10.125 448 H LEU 69 H LEU 69 14.581 -1.947 10.251 449 HA LEU 69 HA LEU 69 14.135 -4.803 10.592 450 HB2 LEU 69 HB2 LEU 69 16.435 -4.695 11.673 451 HB3 LEU 69 HB1 LEU 69 16.359 -4.100 10.015 452 HG LEU 69 HG LEU 69 15.757 -1.992 11.928 453 HD11 LEU 69 1HD1 LEU 69 18.038 -1.802 12.858 454 HD12 LEU 69 2HD1 LEU 69 18.470 -3.338 12.105 455 HD13 LEU 69 3HD1 LEU 69 17.259 -3.293 13.386 456 HD21 LEU 69 3HD2 LEU 69 17.003 -0.739 10.441 457 HD22 LEU 69 1HD2 LEU 69 16.621 -2.106 9.393 458 HD23 LEU 69 2HD2 LEU 69 18.190 -2.020 10.196 459 H TYR 70 H TYR 70 12.368 -4.876 12.114 460 HA TYR 70 HA TYR 70 13.266 -4.724 14.906 461 HB2 TYR 70 HB2 TYR 70 11.028 -2.979 13.843 462 HB3 TYR 70 HB1 TYR 70 11.263 -3.322 15.558 463 HD1 TYR 70 HD1 TYR 70 13.689 -2.894 16.487 464 HD2 TYR 70 HD2 TYR 70 12.125 -1.148 12.886 465 HE1 TYR 70 HE1 TYR 70 15.393 -1.097 16.617 466 HE2 TYR 70 HE2 TYR 70 13.829 0.648 13.017 467 HH TYR 70 HH TYR 70 15.900 1.015 15.823 468 H GLY 71 H GLY 71 12.448 -6.885 13.188 469 HA2 GLY 71 HA2 GLY 71 11.199 -8.861 13.599 470 HA3 GLY 71 HA1 GLY 71 10.331 -8.009 14.876 Start of MODEL 9 1 H GLY 1 HT1 GLY 1 -13.807 -8.412 5.840 2 HA2 GLY 1 HA1 GLY 1 -12.748 -8.436 3.072 3 HA3 GLY 1 HA2 GLY 1 -13.421 -9.865 3.858 4 H LYS 2 H LYS 2 -14.617 -6.624 4.499 5 HA LYS 2 HA LYS 2 -17.298 -7.455 3.648 6 HB2 LYS 2 HB2 LYS 2 -16.447 -4.696 4.553 7 HB3 LYS 2 HB1 LYS 2 -18.057 -5.412 4.629 8 HG2 LYS 2 HG2 LYS 2 -16.058 -7.042 6.002 9 HG3 LYS 2 HG1 LYS 2 -16.179 -5.418 6.680 10 HD2 LYS 2 HD2 LYS 2 -18.274 -5.776 7.488 11 HD3 LYS 2 HD1 LYS 2 -18.774 -6.679 6.058 12 HE2 LYS 2 HE2 LYS 2 -16.927 -7.794 8.187 13 HE3 LYS 2 HE1 LYS 2 -18.670 -8.064 8.165 14 HZ1 LYS 2 HZ1 LYS 2 -18.466 -9.078 5.995 15 HZ2 LYS 2 HZ2 LYS 2 -17.450 -9.872 7.102 16 HZ3 LYS 2 HZ3 LYS 2 -16.796 -8.782 5.975 17 H GLU 3 H GLU 3 -18.379 -5.158 2.579 18 HA GLU 3 HA GLU 3 -17.010 -5.053 -0.064 19 HB2 GLU 3 HB2 GLU 3 -19.831 -4.639 0.875 20 HB3 GLU 3 HB1 GLU 3 -19.306 -3.869 -0.621 21 HG2 GLU 3 HG2 GLU 3 -20.268 -6.061 -1.125 22 HG3 GLU 3 HG1 GLU 3 -18.535 -6.086 -1.456 23 H CYS 4 H CYS 4 -15.801 -3.539 1.973 24 HA CYS 4 HA CYS 4 -16.380 -0.774 0.993 25 HB2 CYS 4 HB2 CYS 4 -15.899 -1.692 3.838 26 HB3 CYS 4 HB1 CYS 4 -15.722 -0.011 3.347 27 H ASP 5 H ASP 5 -14.602 -0.934 -0.436 28 HA ASP 5 HA ASP 5 -11.978 -1.802 0.404 29 HB2 ASP 5 HB2 ASP 5 -12.992 -1.559 -2.007 30 HB3 ASP 5 HB1 ASP 5 -12.420 0.105 -1.881 31 H CYS 6 H CYS 6 -13.730 1.173 0.703 32 HA CYS 6 HA CYS 6 -11.228 2.475 1.700 33 HB2 CYS 6 HB2 CYS 6 -12.153 4.631 0.965 34 HB3 CYS 6 HB1 CYS 6 -12.030 3.519 -0.399 35 H SER 7 H SER 7 -11.420 3.631 3.643 36 HA SER 7 HA SER 7 -13.853 2.999 5.217 37 HB2 SER 7 HB2 SER 7 -11.600 2.504 6.170 38 HB3 SER 7 HB1 SER 7 -11.223 4.224 6.107 39 HG SER 7 HG SER 7 -13.246 4.444 7.388 40 H SER 8 H SER 8 -13.101 5.368 3.156 41 HA SER 8 HA SER 8 -14.343 7.479 4.872 42 HB2 SER 8 HB2 SER 8 -12.540 7.970 2.493 43 HB3 SER 8 HB1 SER 8 -13.100 9.150 3.675 44 HG SER 8 HG SER 8 -11.549 6.866 4.330 45 HA PRO 9 HA PRO 9 -17.515 7.126 1.754 46 HB2 PRO 9 HB2 PRO 9 -19.211 8.957 2.907 47 HB3 PRO 9 HB1 PRO 9 -19.051 7.283 3.467 48 HG2 PRO 9 HG2 PRO 9 -18.006 9.786 4.708 49 HG3 PRO 9 HG1 PRO 9 -18.433 8.247 5.475 50 HD2 PRO 9 HD2 PRO 9 -15.811 9.127 4.878 51 HD3 PRO 9 HD1 PRO 9 -16.279 7.474 5.328 52 H GLU 10 H GLU 10 -15.832 10.023 2.721 53 HA GLU 10 HA GLU 10 -16.995 11.700 0.618 54 HB2 GLU 10 HB2 GLU 10 -16.088 12.567 2.833 55 HB3 GLU 10 HB1 GLU 10 -14.474 12.221 2.211 56 HG2 GLU 10 HG2 GLU 10 -14.483 14.059 0.899 57 HG3 GLU 10 HG1 GLU 10 -16.094 13.692 0.280 58 H ASN 11 H ASN 11 -14.751 9.216 0.674 59 HA ASN 11 HA ASN 11 -12.850 10.262 -1.255 60 HB2 ASN 11 HB2 ASN 11 -12.539 8.313 0.421 61 HB3 ASN 11 HB1 ASN 11 -13.411 7.340 -0.762 62 HD21 ASN 11 1HD2 ASN 11 -10.761 6.648 -0.249 63 HD22 ASN 11 2HD2 ASN 11 -9.781 7.074 -1.568 64 HA PRO 12 HA PRO 12 -15.721 9.590 -4.629 65 HB2 PRO 12 HB2 PRO 12 -14.109 10.740 -6.541 66 HB3 PRO 12 HB1 PRO 12 -15.128 11.670 -5.428 67 HG2 PRO 12 HG2 PRO 12 -12.170 11.280 -5.384 68 HG3 PRO 12 HG1 PRO 12 -13.134 12.628 -4.761 69 HD2 PRO 12 HD2 PRO 12 -12.013 10.550 -3.209 70 HD3 PRO 12 HD1 PRO 12 -13.262 11.694 -2.671 71 H CYS 13 H CYS 13 -12.290 8.741 -4.626 72 HA CYS 13 HA CYS 13 -12.103 7.156 -6.927 73 HB2 CYS 13 HB2 CYS 13 -10.689 7.404 -4.381 74 HB3 CYS 13 HB1 CYS 13 -10.644 5.759 -5.018 75 H CYS 14 H CYS 14 -13.495 6.353 -3.767 76 HA CYS 14 HA CYS 14 -14.285 3.695 -4.881 77 HB2 CYS 14 HB2 CYS 14 -14.445 2.908 -2.604 78 HB3 CYS 14 HB1 CYS 14 -12.893 3.731 -2.776 79 H ASP 15 H ASP 15 -16.439 3.098 -4.853 80 HA ASP 15 HA ASP 15 -18.435 5.159 -4.904 81 HB2 ASP 15 HB2 ASP 15 -18.425 2.757 -5.964 82 HB3 ASP 15 HB1 ASP 15 -19.079 2.264 -4.399 83 H ALA 16 H ALA 16 -19.739 5.919 -3.254 84 HA ALA 16 HA ALA 16 -19.033 5.264 -0.517 85 HB1 ALA 16 HB1 ALA 16 -20.201 7.145 0.005 86 HB2 ALA 16 HB2 ALA 16 -21.599 6.650 -0.950 87 HB3 ALA 16 HB3 ALA 16 -20.222 7.421 -1.737 88 H ALA 17 H ALA 17 -21.880 4.625 -2.574 89 HA ALA 17 HA ALA 17 -23.448 3.268 -0.646 90 HB1 ALA 17 HB1 ALA 17 -24.168 3.933 -2.980 91 HB2 ALA 17 HB2 ALA 17 -24.642 2.302 -2.505 92 HB3 ALA 17 HB3 ALA 17 -23.266 2.542 -3.581 93 H THR 18 H THR 18 -20.942 2.005 -2.848 94 HA THR 18 HA THR 18 -21.065 -0.582 -1.363 95 HB THR 18 HB THR 18 -20.057 -1.610 -3.260 96 HG1 THR 18 HG1 THR 18 -19.478 -0.006 -5.035 97 HG21 THR 18 3HG2 THR 18 -22.402 -0.044 -3.517 98 HG22 THR 18 1HG2 THR 18 -21.953 -1.469 -4.456 99 HG23 THR 18 2HG2 THR 18 -21.505 0.141 -5.024 100 H CYS 19 H CYS 19 -19.540 2.196 -0.962 101 HA CYS 19 HA CYS 19 -17.338 2.877 -0.373 102 HB2 CYS 19 HB2 CYS 19 -16.510 1.143 1.479 103 HB3 CYS 19 HB1 CYS 19 -17.804 2.283 1.793 104 H LYS 20 H LYS 20 -17.336 1.109 -2.741 105 HA LYS 20 HA LYS 20 -14.616 -0.071 -2.308 106 HB2 LYS 20 HB2 LYS 20 -16.884 -1.188 -3.981 107 HB3 LYS 20 HB1 LYS 20 -15.230 -1.800 -4.015 108 HG2 LYS 20 HG2 LYS 20 -15.427 -2.824 -1.984 109 HG3 LYS 20 HG1 LYS 20 -16.434 -1.539 -1.319 110 HD2 LYS 20 HD2 LYS 20 -17.721 -3.630 -1.565 111 HD3 LYS 20 HD1 LYS 20 -18.358 -2.371 -2.623 112 HE2 LYS 20 HE2 LYS 20 -18.227 -4.134 -4.124 113 HE3 LYS 20 HE1 LYS 20 -16.632 -3.416 -4.347 114 HZ1 LYS 20 HZ1 LYS 20 -17.207 -5.998 -3.550 115 HZ2 LYS 20 HZ2 LYS 20 -16.607 -5.217 -2.166 116 HZ3 LYS 20 HZ3 LYS 20 -15.684 -5.252 -3.592 117 H LEU 21 H LEU 21 -13.503 -0.397 -4.545 118 HA LEU 21 HA LEU 21 -13.222 2.150 -5.781 119 HB2 LEU 21 HB2 LEU 21 -12.331 -0.633 -6.444 120 HB3 LEU 21 HB1 LEU 21 -12.152 0.628 -7.665 121 HG LEU 21 HG LEU 21 -11.284 1.683 -5.149 122 HD11 LEU 21 1HD1 LEU 21 -10.954 -1.041 -5.096 123 HD12 LEU 21 2HD1 LEU 21 -9.932 0.105 -4.227 124 HD13 LEU 21 3HD1 LEU 21 -9.426 -0.511 -5.800 125 HD21 LEU 21 3HD2 LEU 21 -10.625 2.225 -7.578 126 HD22 LEU 21 1HD2 LEU 21 -9.551 0.831 -7.473 127 HD23 LEU 21 2HD2 LEU 21 -9.323 2.204 -6.390 128 H ARG 22 H ARG 22 -14.870 3.108 -6.864 129 HA ARG 22 HA ARG 22 -16.826 1.521 -8.361 130 HB2 ARG 22 HB2 ARG 22 -17.072 3.838 -7.022 131 HB3 ARG 22 HB1 ARG 22 -16.751 4.484 -8.632 132 HG2 ARG 22 HG2 ARG 22 -18.603 2.328 -8.912 133 HG3 ARG 22 HG1 ARG 22 -19.193 3.385 -7.628 134 HD2 ARG 22 HD2 ARG 22 -18.394 5.227 -9.476 135 HD3 ARG 22 HD1 ARG 22 -18.920 3.911 -10.526 136 HE ARG 22 HE ARG 22 -21.073 4.018 -9.009 137 HH11 ARG 22 1HH1 ARG 22 -19.684 6.283 -11.034 138 HH12 ARG 22 2HH1 ARG 22 -20.651 7.620 -10.507 139 HH21 ARG 22 1HH2 ARG 22 -22.062 5.895 -7.853 140 HH22 ARG 22 2HH2 ARG 22 -21.996 7.400 -8.707 141 HA PRO 23 HA PRO 23 -14.747 3.810 -12.009 142 HB2 PRO 23 HB2 PRO 23 -12.354 5.073 -11.514 143 HB3 PRO 23 HB1 PRO 23 -13.932 5.869 -11.394 144 HG2 PRO 23 HG2 PRO 23 -12.117 4.971 -9.212 145 HG3 PRO 23 HG1 PRO 23 -13.344 6.247 -9.196 146 HD2 PRO 23 HD2 PRO 23 -13.616 3.650 -8.099 147 HD3 PRO 23 HD1 PRO 23 -14.928 4.824 -8.344 148 H GLY 24 H GLY 24 -12.273 3.661 -13.094 149 HA2 GLY 24 HA2 GLY 24 -11.612 0.811 -12.776 150 HA3 GLY 24 HA1 GLY 24 -10.996 1.883 -14.031 151 H ALA 25 H ALA 25 -10.828 3.008 -10.750 152 HA ALA 25 HA ALA 25 -7.938 3.180 -10.901 153 HB1 ALA 25 HB1 ALA 25 -8.219 3.809 -8.416 154 HB2 ALA 25 HB2 ALA 25 -9.953 3.721 -8.716 155 HB3 ALA 25 HB3 ALA 25 -8.962 4.879 -9.603 156 H GLN 26 H GLN 26 -6.482 2.141 -9.241 157 HA GLN 26 HA GLN 26 -7.259 -0.697 -8.922 158 HB2 GLN 26 HB2 GLN 26 -4.904 0.458 -9.674 159 HB3 GLN 26 HB1 GLN 26 -4.612 0.202 -7.953 160 HG2 GLN 26 HG2 GLN 26 -4.639 -2.079 -8.148 161 HG3 GLN 26 HG1 GLN 26 -5.869 -2.058 -9.411 162 HE21 GLN 26 1HE2 GLN 26 -3.255 -3.521 -9.436 163 HE22 GLN 26 2HE2 GLN 26 -2.422 -2.948 -10.799 164 H CYS 27 H CYS 27 -6.378 2.115 -6.949 165 HA CYS 27 HA CYS 27 -7.528 0.701 -4.602 166 HB2 CYS 27 HB2 CYS 27 -5.328 0.307 -4.021 167 HB3 CYS 27 HB1 CYS 27 -4.725 1.694 -4.917 168 H GLY 28 H GLY 28 -8.770 2.050 -3.346 169 HA2 GLY 28 HA2 GLY 28 -9.084 4.834 -4.270 170 HA3 GLY 28 HA1 GLY 28 -10.143 4.000 -3.139 171 H GLU 29 H GLU 29 -7.822 3.012 -1.595 172 HA GLU 29 HA GLU 29 -6.633 5.501 -0.547 173 HB2 GLU 29 HB2 GLU 29 -7.441 5.122 1.689 174 HB3 GLU 29 HB1 GLU 29 -8.828 5.154 0.615 175 HG2 GLU 29 HG2 GLU 29 -9.338 3.217 1.737 176 HG3 GLU 29 HG1 GLU 29 -8.281 2.527 0.504 177 H GLY 30 H GLY 30 -4.584 5.115 0.266 178 HA2 GLY 30 HA2 GLY 30 -3.553 2.950 1.610 179 HA3 GLY 30 HA1 GLY 30 -3.489 2.426 -0.073 180 H LEU 31 H LEU 31 -1.219 2.985 1.701 181 HA LEU 31 HA LEU 31 -0.052 5.535 1.117 182 HB2 LEU 31 HB2 LEU 31 0.835 2.971 2.268 183 HB3 LEU 31 HB1 LEU 31 2.108 3.870 1.446 184 HG LEU 31 HG LEU 31 1.856 4.444 3.890 185 HD11 LEU 31 1HD1 LEU 31 2.037 6.193 1.603 186 HD12 LEU 31 2HD1 LEU 31 2.845 6.330 3.165 187 HD13 LEU 31 3HD1 LEU 31 1.245 7.035 2.935 188 HD21 LEU 31 3HD2 LEU 31 -0.426 6.199 3.452 189 HD22 LEU 31 1HD2 LEU 31 -0.155 5.025 4.740 190 HD23 LEU 31 2HD2 LEU 31 -0.861 4.508 3.208 191 H CYS 32 H CYS 32 -0.075 2.462 -0.623 192 HA CYS 32 HA CYS 32 1.731 3.617 -2.687 193 HB2 CYS 32 HB2 CYS 32 0.610 0.862 -2.948 194 HB3 CYS 32 HB1 CYS 32 2.215 1.460 -3.356 195 H CYS 33 H CYS 33 -0.792 4.823 -2.539 196 HA CYS 33 HA CYS 33 -2.092 3.748 -5.009 197 HB2 CYS 33 HB2 CYS 33 -3.470 5.249 -2.765 198 HB3 CYS 33 HB1 CYS 33 -4.238 4.486 -4.156 199 H GLU 34 H GLU 34 -0.877 5.143 -6.367 200 HA GLU 34 HA GLU 34 -1.179 8.069 -5.918 201 HB2 GLU 34 HB2 GLU 34 1.089 6.990 -6.454 202 HB3 GLU 34 HB1 GLU 34 0.452 6.705 -8.074 203 HG2 GLU 34 HG2 GLU 34 1.176 8.789 -8.567 204 HG3 GLU 34 HG1 GLU 34 -0.183 9.366 -7.602 205 H GLN 35 H GLN 35 -2.710 9.147 -7.099 206 HA GLN 35 HA GLN 35 -4.342 9.536 -8.741 207 HB2 GLN 35 HB2 GLN 35 -2.202 8.023 -10.161 208 HB3 GLN 35 HB1 GLN 35 -3.777 8.093 -10.952 209 HG2 GLN 35 HG2 GLN 35 -3.142 10.699 -9.928 210 HG3 GLN 35 HG1 GLN 35 -1.779 10.113 -10.883 211 HE21 GLN 35 1HE2 GLN 35 -2.170 9.615 -13.171 212 HE22 GLN 35 2HE2 GLN 35 -3.554 10.192 -13.966 213 H CYS 36 H CYS 36 -4.427 7.258 -6.814 214 HA CYS 36 HA CYS 36 -5.955 5.554 -6.314 215 HB2 CYS 36 HB2 CYS 36 -7.301 7.108 -8.190 216 HB3 CYS 36 HB1 CYS 36 -7.364 5.484 -8.867 217 H LYS 37 H LYS 37 -3.496 5.392 -8.259 218 HA LYS 37 HA LYS 37 -4.130 2.690 -9.365 219 HB2 LYS 37 HB2 LYS 37 -2.678 4.969 -10.403 220 HB3 LYS 37 HB1 LYS 37 -1.623 3.558 -10.328 221 HG2 LYS 37 HG2 LYS 37 -2.812 2.417 -11.908 222 HG3 LYS 37 HG1 LYS 37 -4.359 3.058 -11.351 223 HD2 LYS 37 HD2 LYS 37 -3.948 5.176 -12.453 224 HD3 LYS 37 HD1 LYS 37 -2.308 4.685 -12.878 225 HE2 LYS 37 HE2 LYS 37 -4.195 2.700 -13.792 226 HE3 LYS 37 HE1 LYS 37 -4.655 4.289 -14.399 227 HZ1 LYS 37 HZ1 LYS 37 -2.675 4.540 -15.510 228 HZ2 LYS 37 HZ2 LYS 37 -2.945 2.872 -15.695 229 HZ3 LYS 37 HZ3 LYS 37 -1.844 3.435 -14.529 230 H PHE 38 H PHE 38 -2.182 1.163 -9.286 231 HA PHE 38 HA PHE 38 -1.204 1.057 -6.535 232 HB2 PHE 38 HB2 PHE 38 -1.114 -0.705 -8.928 233 HB3 PHE 38 HB1 PHE 38 0.194 -0.895 -7.769 234 HD1 PHE 38 HD1 PHE 38 -2.940 0.345 -6.437 235 HD2 PHE 38 HD2 PHE 38 -0.724 -3.214 -7.370 236 HE1 PHE 38 HE1 PHE 38 -4.426 -0.974 -4.956 237 HE2 PHE 38 HE2 PHE 38 -2.213 -4.529 -5.888 238 HZ PHE 38 HZ PHE 38 -4.065 -3.409 -4.680 239 H SER 39 H SER 39 0.558 2.246 -5.921 240 HA SER 39 HA SER 39 2.366 3.481 -7.757 241 HB2 SER 39 HB2 SER 39 2.574 2.788 -4.819 242 HB3 SER 39 HB1 SER 39 3.897 3.570 -5.679 243 HG SER 39 HG SER 39 2.733 5.252 -5.004 244 H ARG 40 H ARG 40 4.885 2.815 -7.529 245 HA ARG 40 HA ARG 40 4.930 -0.046 -8.311 246 HB2 ARG 40 HB2 ARG 40 6.772 2.295 -8.735 247 HB3 ARG 40 HB1 ARG 40 7.408 0.656 -8.871 248 HG2 ARG 40 HG2 ARG 40 6.720 1.056 -11.062 249 HG3 ARG 40 HG1 ARG 40 5.290 0.272 -10.388 250 HD2 ARG 40 HD2 ARG 40 4.256 2.121 -11.277 251 HD3 ARG 40 HD1 ARG 40 4.722 2.816 -9.725 252 HE ARG 40 HE ARG 40 6.075 3.328 -12.319 253 HH11 ARG 40 1HH1 ARG 40 4.769 5.208 -10.149 254 HH12 ARG 40 2HH1 ARG 40 6.197 5.998 -9.568 255 HH21 ARG 40 1HH2 ARG 40 8.369 3.732 -11.043 256 HH22 ARG 40 2HH2 ARG 40 8.236 5.162 -10.075 257 H ALA 41 H ALA 41 6.939 -1.299 -7.521 258 HA ALA 41 HA ALA 41 6.964 -1.252 -4.626 259 HB1 ALA 41 HB1 ALA 41 7.630 -3.113 -6.579 260 HB2 ALA 41 HB2 ALA 41 7.911 -3.301 -4.848 261 HB3 ALA 41 HB3 ALA 41 9.193 -2.680 -5.887 262 H GLY 42 H GLY 42 9.082 -1.105 -3.391 263 HA2 GLY 42 HA2 GLY 42 11.030 0.094 -2.826 264 HA3 GLY 42 HA1 GLY 42 11.262 0.408 -4.545 265 H LYS 43 H LYS 43 8.187 1.185 -3.130 266 HA LYS 43 HA LYS 43 8.774 4.056 -3.625 267 HB2 LYS 43 HB2 LYS 43 6.672 4.021 -4.436 268 HB3 LYS 43 HB1 LYS 43 6.446 2.373 -3.871 269 HG2 LYS 43 HG2 LYS 43 4.733 3.674 -2.809 270 HG3 LYS 43 HG1 LYS 43 5.932 3.376 -1.569 271 HD2 LYS 43 HD2 LYS 43 5.095 5.767 -1.707 272 HD3 LYS 43 HD1 LYS 43 6.844 5.585 -1.798 273 HE2 LYS 43 HE2 LYS 43 6.927 6.144 -4.037 274 HE3 LYS 43 HE1 LYS 43 5.304 5.534 -4.357 275 HZ1 LYS 43 HZ1 LYS 43 5.592 8.026 -4.355 276 HZ2 LYS 43 HZ2 LYS 43 5.794 7.917 -2.672 277 HZ3 LYS 43 HZ3 LYS 43 4.337 7.419 -3.390 278 H ILE 44 H ILE 44 9.213 5.429 -1.971 279 HA ILE 44 HA ILE 44 9.387 4.522 0.736 280 HB ILE 44 HB ILE 44 9.673 7.113 -0.688 281 HG12 ILE 44 2HG1 ILE 44 11.559 5.616 -0.099 282 HG13 ILE 44 1HG1 ILE 44 11.706 7.182 0.702 283 HG21 ILE 44 1HG2 ILE 44 8.084 7.791 1.056 284 HG22 ILE 44 2HG2 ILE 44 9.695 8.390 1.451 285 HG23 ILE 44 3HG2 ILE 44 9.054 6.973 2.281 286 HD11 ILE 44 3HD1 ILE 44 10.155 5.659 2.457 287 HD12 ILE 44 1HD1 ILE 44 11.863 6.050 2.650 288 HD13 ILE 44 2HD1 ILE 44 11.386 4.536 1.881 289 H CYS 45 H CYS 45 7.672 3.928 1.890 290 HA CYS 45 HA CYS 45 5.122 5.452 1.565 291 HB2 CYS 45 HB2 CYS 45 4.198 3.309 2.753 292 HB3 CYS 45 HB1 CYS 45 4.568 3.250 1.035 293 H ARG 46 H ARG 46 7.651 4.551 3.678 294 HA ARG 46 HA ARG 46 6.500 6.231 5.790 295 HB2 ARG 46 HB2 ARG 46 5.801 3.640 5.967 296 HB3 ARG 46 HB1 ARG 46 7.372 3.557 6.765 297 HG2 ARG 46 HG2 ARG 46 6.692 4.833 8.547 298 HG3 ARG 46 HG1 ARG 46 5.591 5.801 7.567 299 HD2 ARG 46 HD2 ARG 46 4.368 3.397 7.378 300 HD3 ARG 46 HD1 ARG 46 5.112 3.226 8.967 301 HE ARG 46 HE ARG 46 3.597 5.719 8.501 302 HH11 ARG 46 1HH1 ARG 46 4.367 4.304 11.148 303 HH12 ARG 46 2HH1 ARG 46 2.810 3.749 11.664 304 HH21 ARG 46 1HH2 ARG 46 1.315 4.243 8.574 305 HH22 ARG 46 2HH2 ARG 46 1.081 3.715 10.207 306 H ILE 47 H ILE 47 8.085 6.965 7.268 307 HA ILE 47 HA ILE 47 10.822 6.845 6.267 308 HB ILE 47 HB ILE 47 9.786 8.892 7.306 309 HG12 ILE 47 2HG1 ILE 47 11.843 9.095 9.027 310 HG13 ILE 47 1HG1 ILE 47 12.366 7.655 8.151 311 HG21 ILE 47 1HG2 ILE 47 9.812 8.889 9.851 312 HG22 ILE 47 2HG2 ILE 47 9.960 7.134 9.766 313 HG23 ILE 47 3HG2 ILE 47 8.530 7.930 9.111 314 HD11 ILE 47 3HD1 ILE 47 12.975 8.894 6.376 315 HD12 ILE 47 1HD1 ILE 47 12.608 10.343 7.314 316 HD13 ILE 47 2HD1 ILE 47 11.370 9.621 6.287 317 H ALA 48 H ALA 48 12.582 5.810 7.281 318 HA ALA 48 HA ALA 48 11.970 3.409 8.760 319 HB1 ALA 48 HB1 ALA 48 14.336 4.681 7.600 320 HB2 ALA 48 HB2 ALA 48 13.967 2.968 7.796 321 HB3 ALA 48 HB3 ALA 48 14.684 3.874 9.129 322 H ARG 49 H ARG 49 12.430 2.942 10.965 323 HA ARG 49 HA ARG 49 12.237 5.279 12.745 324 HB2 ARG 49 HB2 ARG 49 12.445 2.360 13.528 325 HB3 ARG 49 HB1 ARG 49 11.800 3.688 14.493 326 HG2 ARG 49 HG2 ARG 49 10.538 3.249 11.835 327 HG3 ARG 49 HG1 ARG 49 10.218 2.031 13.070 328 HD2 ARG 49 HD2 ARG 49 9.125 3.530 14.465 329 HD3 ARG 49 HD1 ARG 49 9.987 4.924 13.815 330 HE ARG 49 HE ARG 49 8.249 3.683 11.841 331 HH11 ARG 49 1HH2 ARG 49 7.586 5.011 14.846 332 HH12 ARG 49 2HH2 ARG 49 6.587 6.296 14.257 333 HH21 ARG 49 1HH1 ARG 49 7.321 5.696 10.922 334 HH22 ARG 49 2HH1 ARG 49 6.436 6.685 12.035 335 H GLY 50 H GLY 50 14.462 6.021 12.082 336 HA2 GLY 50 HA2 GLY 50 16.409 6.029 13.891 337 HA3 GLY 50 HA1 GLY 50 16.667 4.410 13.239 338 H ASP 51 H ASP 51 17.953 4.251 11.448 339 HA ASP 51 HA ASP 51 18.121 6.470 9.526 340 HB2 ASP 51 HB2 ASP 51 20.132 6.021 11.612 341 HB3 ASP 51 HB1 ASP 51 20.814 6.024 9.985 342 H TRP 52 H TRP 52 17.198 3.837 9.179 343 HA TRP 52 HA TRP 52 19.381 2.705 7.477 344 HB2 TRP 52 HB2 TRP 52 18.090 0.469 7.966 345 HB3 TRP 52 HB1 TRP 52 19.235 1.089 9.155 346 HD1 TRP 52 HD TRP 52 15.500 1.802 8.400 347 HE1 TRP 52 HE1 TRP 52 14.213 1.772 10.634 348 HE3 TRP 52 HE3 TRP 52 19.336 0.777 11.603 349 HZ2 TRP 52 HZ2 TRP 52 14.747 1.372 13.417 350 HZ3 TRP 52 HZ3 TRP 52 18.924 0.581 14.038 351 HH2 TRP 52 HH TRP 52 16.637 0.876 14.949 352 H ASN 53 H ASN 53 17.943 0.782 6.136 353 HA ASN 53 HA ASN 53 16.704 2.125 4.041 354 HB2 ASN 53 HB2 ASN 53 16.138 -0.647 5.124 355 HB3 ASN 53 HB1 ASN 53 15.492 -0.052 3.594 356 HD21 ASN 53 1HD2 ASN 53 18.484 -0.986 5.264 357 HD22 ASN 53 2HD2 ASN 53 19.445 -1.061 3.867 358 H ASP 54 H ASP 54 14.697 3.009 3.687 359 HA ASP 54 HA ASP 54 12.888 3.201 6.015 360 HB2 ASP 54 HB2 ASP 54 12.993 4.580 3.324 361 HB3 ASP 54 HB1 ASP 54 11.644 4.793 4.440 362 H ASP 55 H ASP 55 10.442 3.085 5.398 363 HA ASP 55 HA ASP 55 9.887 0.419 4.475 364 HB2 ASP 55 HB2 ASP 55 8.189 2.823 5.120 365 HB3 ASP 55 HB1 ASP 55 7.462 1.384 4.406 366 H ARG 56 H ARG 56 9.280 -0.301 2.444 367 HA ARG 56 HA ARG 56 9.014 1.772 0.301 368 HB2 ARG 56 HB2 ARG 56 10.529 -0.850 0.210 369 HB3 ARG 56 HB1 ARG 56 10.180 0.139 -1.206 370 HG2 ARG 56 HG2 ARG 56 11.446 1.490 1.135 371 HG3 ARG 56 HG1 ARG 56 12.459 0.420 0.164 372 HD2 ARG 56 HD2 ARG 56 11.829 1.660 -1.872 373 HD3 ARG 56 HD1 ARG 56 10.808 2.728 -0.908 374 HE ARG 56 HE ARG 56 12.841 3.623 0.133 375 HH11 ARG 56 1HH1 ARG 56 13.031 2.927 -3.064 376 HH12 ARG 56 2HH1 ARG 56 14.752 2.749 -3.142 377 HH21 ARG 56 1HH2 ARG 56 15.176 2.747 0.299 378 HH22 ARG 56 2HH2 ARG 56 15.966 2.646 -1.240 379 H CYS 57 H CYS 57 7.166 1.553 -0.862 380 HA CYS 57 HA CYS 57 5.211 -0.432 -0.266 381 HB2 CYS 57 HB2 CYS 57 5.579 1.577 -2.453 382 HB3 CYS 57 HB1 CYS 57 4.347 0.335 -2.650 383 H THR 58 H THR 58 4.492 -2.211 -1.591 384 HA THR 58 HA THR 58 6.695 -3.698 -2.797 385 HB THR 58 HB THR 58 4.260 -5.026 -3.308 386 HG1 THR 58 HG1 THR 58 3.139 -3.737 -1.942 387 HG21 THR 58 3HG2 THR 58 6.717 -5.439 -1.972 388 HG22 THR 58 1HG2 THR 58 5.496 -6.649 -2.366 389 HG23 THR 58 2HG2 THR 58 5.449 -5.827 -0.807 390 H GLY 59 H GLY 59 4.301 -1.530 -3.909 391 HA2 GLY 59 HA2 GLY 59 4.183 -0.675 -6.139 392 HA3 GLY 59 HA1 GLY 59 5.117 -2.063 -6.697 393 H GLN 60 H GLN 60 3.579 -4.134 -5.569 394 HA GLN 60 HA GLN 60 1.151 -3.961 -7.277 395 HB2 GLN 60 HB2 GLN 60 2.830 -6.207 -6.207 396 HB3 GLN 60 HB1 GLN 60 1.143 -6.521 -6.613 397 HG2 GLN 60 HG2 GLN 60 1.567 -6.449 -8.831 398 HG3 GLN 60 HG1 GLN 60 2.503 -4.962 -8.676 399 HE21 GLN 60 1HE2 GLN 60 3.213 -8.046 -7.006 400 HE22 GLN 60 2HE2 GLN 60 4.704 -8.303 -7.774 401 H SER 61 H SER 61 1.840 -3.152 -4.239 402 HA SER 61 HA SER 61 -0.792 -4.155 -3.227 403 HB2 SER 61 HB2 SER 61 1.384 -3.634 -1.262 404 HB3 SER 61 HB1 SER 61 0.100 -4.839 -1.222 405 HG SER 61 HG SER 61 1.951 -5.943 -1.658 406 H ALA 62 H ALA 62 -2.111 -2.458 -2.778 407 HA ALA 62 HA ALA 62 -1.253 0.263 -2.897 408 HB1 ALA 62 HB1 ALA 62 -3.582 0.296 -1.374 409 HB2 ALA 62 HB2 ALA 62 -3.739 -1.176 -2.333 410 HB3 ALA 62 HB3 ALA 62 -3.502 0.377 -3.135 411 H ASP 63 H ASP 63 -1.828 -1.920 -0.149 412 HA ASP 63 HA ASP 63 -1.163 0.148 1.809 413 HB2 ASP 63 HB2 ASP 63 -1.859 -2.762 1.893 414 HB3 ASP 63 HB1 ASP 63 -1.016 -2.067 3.278 415 H CYS 64 H CYS 64 0.862 0.583 2.596 416 HA CYS 64 HA CYS 64 3.157 -0.649 1.326 417 HB2 CYS 64 HB2 CYS 64 3.423 1.633 1.923 418 HB3 CYS 64 HB1 CYS 64 2.840 1.363 3.561 419 HA PRO 65 HA PRO 65 3.455 -3.998 4.171 420 HB2 PRO 65 HB2 PRO 65 5.640 -5.092 2.940 421 HB3 PRO 65 HB1 PRO 65 3.994 -5.299 2.342 422 HG2 PRO 65 HG2 PRO 65 6.207 -3.630 1.267 423 HG3 PRO 65 HG1 PRO 65 4.793 -4.294 0.430 424 HD2 PRO 65 HD2 PRO 65 5.118 -1.620 1.311 425 HD3 PRO 65 HD1 PRO 65 3.615 -2.363 0.726 426 H ARG 66 H ARG 66 5.485 -5.013 5.375 427 HA ARG 66 HA ARG 66 6.996 -2.740 6.532 428 HB2 ARG 66 HB2 ARG 66 6.220 -5.468 7.424 429 HB3 ARG 66 HB1 ARG 66 7.780 -4.877 7.999 430 HG2 ARG 66 HG2 ARG 66 5.960 -2.717 8.242 431 HG3 ARG 66 HG1 ARG 66 5.145 -4.139 8.892 432 HD2 ARG 66 HD2 ARG 66 7.853 -4.203 9.790 433 HD3 ARG 66 HD1 ARG 66 7.222 -2.587 10.100 434 HE ARG 66 HE ARG 66 5.330 -4.605 10.929 435 HH11 ARG 66 1HH1 ARG 66 8.482 -3.488 11.695 436 HH12 ARG 66 2HH1 ARG 66 8.229 -3.516 13.408 437 HH21 ARG 66 1HH2 ARG 66 4.895 -4.441 13.167 438 HH22 ARG 66 2HH2 ARG 66 6.198 -4.056 14.241 439 H ASN 67 H ASN 67 8.939 -2.302 5.599 440 HA ASN 67 HA ASN 67 10.526 -4.619 4.562 441 HB2 ASN 67 HB2 ASN 67 9.722 -2.154 3.294 442 HB3 ASN 67 HB1 ASN 67 11.483 -2.231 3.389 443 HD21 ASN 67 1HD2 ASN 67 8.640 -3.689 1.918 444 HD22 ASN 67 2HD2 ASN 67 9.482 -4.763 0.907 445 H GLY 68 H GLY 68 10.464 -3.118 7.263 446 HA2 GLY 68 HA2 GLY 68 12.939 -1.665 7.470 447 HA3 GLY 68 HA1 GLY 68 12.044 -2.354 8.825 448 H LEU 69 H LEU 69 14.186 -2.989 9.682 449 HA LEU 69 HA LEU 69 15.535 -5.179 8.196 450 HB2 LEU 69 HB2 LEU 69 16.310 -3.752 10.761 451 HB3 LEU 69 HB1 LEU 69 17.291 -4.957 9.925 452 HG LEU 69 HG LEU 69 16.385 -2.812 8.150 453 HD11 LEU 69 1HD1 LEU 69 17.084 -1.971 10.722 454 HD12 LEU 69 2HD1 LEU 69 17.071 -0.974 9.266 455 HD13 LEU 69 3HD1 LEU 69 18.562 -1.764 9.782 456 HD21 LEU 69 3HD2 LEU 69 18.698 -2.900 7.436 457 HD22 LEU 69 1HD2 LEU 69 18.159 -4.558 7.714 458 HD23 LEU 69 2HD2 LEU 69 19.169 -3.747 8.911 459 H TYR 70 H TYR 70 13.209 -4.724 10.634 460 HA TYR 70 HA TYR 70 13.455 -7.600 11.383 461 HB2 TYR 70 HB2 TYR 70 12.543 -6.616 13.716 462 HB3 TYR 70 HB1 TYR 70 14.265 -6.806 13.385 463 HD1 TYR 70 HD2 TYR 70 15.477 -4.796 12.272 464 HD2 TYR 70 HD1 TYR 70 11.673 -4.497 14.242 465 HE1 TYR 70 HE2 TYR 70 15.800 -2.350 12.523 466 HE2 TYR 70 HE1 TYR 70 11.994 -2.051 14.494 467 HH TYR 70 HH TYR 70 14.733 -0.535 14.369 468 H GLY 71 H GLY 71 11.379 -8.455 12.273 469 HA2 GLY 71 HA2 GLY 71 9.131 -7.468 10.703 470 HA3 GLY 71 HA1 GLY 71 9.093 -8.834 11.820 Start of MODEL 10 1 H GLY 1 HT1 GLY 1 -15.767 -6.580 8.221 2 HA2 GLY 1 HA1 GLY 1 -15.106 -7.615 6.342 3 HA3 GLY 1 HA2 GLY 1 -16.637 -6.959 5.764 4 H LYS 2 H LYS 2 -14.876 -7.369 3.809 5 HA LYS 2 HA LYS 2 -13.276 -4.913 3.388 6 HB2 LYS 2 HB2 LYS 2 -13.060 -7.625 2.549 7 HB3 LYS 2 HB1 LYS 2 -13.289 -6.646 1.100 8 HG2 LYS 2 HG2 LYS 2 -11.513 -5.098 2.455 9 HG3 LYS 2 HG1 LYS 2 -11.020 -6.701 3.002 10 HD2 LYS 2 HD2 LYS 2 -11.262 -7.264 0.407 11 HD3 LYS 2 HD1 LYS 2 -10.953 -5.534 0.252 12 HE2 LYS 2 HE2 LYS 2 -8.760 -6.056 0.431 13 HE3 LYS 2 HE1 LYS 2 -9.088 -6.343 2.140 14 HZ1 LYS 2 HZ1 LYS 2 -9.264 -8.604 1.818 15 HZ2 LYS 2 HZ2 LYS 2 -8.021 -8.200 0.733 16 HZ3 LYS 2 HZ3 LYS 2 -9.599 -8.464 0.161 17 H GLU 3 H GLU 3 -15.988 -4.343 3.472 18 HA GLU 3 HA GLU 3 -16.910 -4.213 0.655 19 HB2 GLU 3 HB2 GLU 3 -18.229 -3.513 3.292 20 HB3 GLU 3 HB1 GLU 3 -18.980 -3.207 1.725 21 HG2 GLU 3 HG2 GLU 3 -18.100 -5.906 2.792 22 HG3 GLU 3 HG1 GLU 3 -19.765 -5.351 2.605 23 H CYS 4 H CYS 4 -15.258 -2.324 2.964 24 HA CYS 4 HA CYS 4 -15.750 0.130 1.315 25 HB2 CYS 4 HB2 CYS 4 -15.251 -0.174 4.289 26 HB3 CYS 4 HB1 CYS 4 -15.094 1.369 3.458 27 H ASP 5 H ASP 5 -13.977 -0.243 -0.057 28 HA ASP 5 HA ASP 5 -11.343 -0.930 0.924 29 HB2 ASP 5 HB2 ASP 5 -11.958 -1.424 -1.386 30 HB3 ASP 5 HB1 ASP 5 -12.255 0.285 -1.704 31 H CYS 6 H CYS 6 -13.127 2.030 0.603 32 HA CYS 6 HA CYS 6 -10.697 3.521 1.499 33 HB2 CYS 6 HB2 CYS 6 -11.331 5.411 0.131 34 HB3 CYS 6 HB1 CYS 6 -11.296 3.986 -0.908 35 H SER 7 H SER 7 -11.451 5.725 2.491 36 HA SER 7 HA SER 7 -13.949 5.235 4.062 37 HB2 SER 7 HB2 SER 7 -12.500 5.128 5.814 38 HB3 SER 7 HB1 SER 7 -11.204 5.906 4.911 39 HG SER 7 HG SER 7 -13.318 7.038 6.378 40 H SER 8 H SER 8 -12.389 7.262 1.862 41 HA SER 8 HA SER 8 -13.836 9.685 2.782 42 HB2 SER 8 HB2 SER 8 -11.364 9.278 1.502 43 HB3 SER 8 HB1 SER 8 -12.405 10.007 0.285 44 HG SER 8 HG SER 8 -12.431 11.037 2.889 45 HA PRO 9 HA PRO 9 -16.978 8.648 -0.212 46 HB2 PRO 9 HB2 PRO 9 -18.605 10.783 0.377 47 HB3 PRO 9 HB1 PRO 9 -18.527 9.313 1.365 48 HG2 PRO 9 HG2 PRO 9 -17.401 12.014 1.929 49 HG3 PRO 9 HG1 PRO 9 -17.887 10.742 3.062 50 HD2 PRO 9 HD2 PRO 9 -15.229 11.357 2.284 51 HD3 PRO 9 HD1 PRO 9 -15.754 9.911 3.172 52 H GLU 10 H GLU 10 -15.462 11.833 0.107 53 HA GLU 10 HA GLU 10 -16.402 12.821 -2.460 54 HB2 GLU 10 HB2 GLU 10 -15.478 14.146 -0.389 55 HB3 GLU 10 HB1 GLU 10 -13.904 13.825 -1.117 56 HG2 GLU 10 HG2 GLU 10 -15.586 14.667 -3.227 57 HG3 GLU 10 HG1 GLU 10 -15.882 15.778 -1.889 58 H ASN 11 H ASN 11 -14.007 10.602 -1.490 59 HA ASN 11 HA ASN 11 -12.101 11.052 -3.619 60 HB2 ASN 11 HB2 ASN 11 -11.659 9.792 -1.464 61 HB3 ASN 11 HB1 ASN 11 -12.614 8.466 -2.128 62 HD21 ASN 11 1HD2 ASN 11 -9.876 8.051 -1.549 63 HD22 ASN 11 2HD2 ASN 11 -9.019 7.875 -3.004 64 HA PRO 12 HA PRO 12 -14.763 9.172 -6.688 65 HB2 PRO 12 HB2 PRO 12 -13.117 9.739 -8.814 66 HB3 PRO 12 HB1 PRO 12 -14.213 10.923 -8.082 67 HG2 PRO 12 HG2 PRO 12 -11.249 10.719 -7.848 68 HG3 PRO 12 HG1 PRO 12 -12.292 12.140 -7.683 69 HD2 PRO 12 HD2 PRO 12 -11.139 10.662 -5.555 70 HD3 PRO 12 HD1 PRO 12 -12.416 11.889 -5.409 71 H CYS 13 H CYS 13 -11.525 8.333 -5.835 72 HA CYS 13 HA CYS 13 -10.941 6.272 -7.696 73 HB2 CYS 13 HB2 CYS 13 -10.256 6.367 -4.739 74 HB3 CYS 13 HB1 CYS 13 -9.454 5.368 -5.946 75 H CYS 14 H CYS 14 -13.007 6.290 -4.832 76 HA CYS 14 HA CYS 14 -13.805 3.487 -5.514 77 HB2 CYS 14 HB2 CYS 14 -14.365 3.294 -3.043 78 HB3 CYS 14 HB1 CYS 14 -12.644 3.411 -3.413 79 H ASP 15 H ASP 15 -16.045 2.985 -4.631 80 HA ASP 15 HA ASP 15 -17.893 5.137 -5.439 81 HB2 ASP 15 HB2 ASP 15 -18.152 2.742 -6.213 82 HB3 ASP 15 HB1 ASP 15 -18.516 2.309 -4.540 83 H ALA 16 H ALA 16 -19.136 6.268 -3.978 84 HA ALA 16 HA ALA 16 -18.517 6.101 -1.162 85 HB1 ALA 16 HB1 ALA 16 -19.178 8.245 -1.791 86 HB2 ALA 16 HB2 ALA 16 -20.670 7.626 -1.083 87 HB3 ALA 16 HB3 ALA 16 -20.469 7.651 -2.835 88 H ALA 17 H ALA 17 -21.048 4.763 -3.206 89 HA ALA 17 HA ALA 17 -22.799 3.986 -1.036 90 HB1 ALA 17 HB1 ALA 17 -22.620 2.609 -3.721 91 HB2 ALA 17 HB2 ALA 17 -23.392 4.183 -3.532 92 HB3 ALA 17 HB3 ALA 17 -24.030 2.779 -2.676 93 H THR 18 H THR 18 -20.420 2.172 -3.004 94 HA THR 18 HA THR 18 -20.540 -0.006 -0.979 95 HB THR 18 HB THR 18 -19.260 -1.316 -2.681 96 HG1 THR 18 HG1 THR 18 -18.684 -0.405 -4.528 97 HG21 THR 18 3HG2 THR 18 -21.135 -1.777 -4.017 98 HG22 THR 18 1HG2 THR 18 -21.660 -0.092 -4.024 99 HG23 THR 18 2HG2 THR 18 -21.846 -1.068 -2.567 100 H CYS 19 H CYS 19 -18.982 2.753 -1.128 101 HA CYS 19 HA CYS 19 -16.771 3.512 -0.700 102 HB2 CYS 19 HB2 CYS 19 -15.900 2.135 1.404 103 HB3 CYS 19 HB1 CYS 19 -17.207 3.291 1.549 104 H LYS 20 H LYS 20 -16.701 1.604 -2.814 105 HA LYS 20 HA LYS 20 -14.038 0.396 -2.209 106 HB2 LYS 20 HB2 LYS 20 -16.359 -0.991 -3.569 107 HB3 LYS 20 HB1 LYS 20 -14.708 -1.615 -3.548 108 HG2 LYS 20 HG2 LYS 20 -15.626 -0.841 -0.885 109 HG3 LYS 20 HG1 LYS 20 -16.648 -2.084 -1.607 110 HD2 LYS 20 HD2 LYS 20 -13.664 -2.359 -1.770 111 HD3 LYS 20 HD1 LYS 20 -14.492 -2.786 -0.273 112 HE2 LYS 20 HE2 LYS 20 -14.387 -4.795 -1.570 113 HE3 LYS 20 HE1 LYS 20 -16.050 -4.220 -1.688 114 HZ1 LYS 20 HZ1 LYS 20 -14.839 -4.906 -3.821 115 HZ2 LYS 20 HZ2 LYS 20 -14.031 -3.418 -3.682 116 HZ3 LYS 20 HZ3 LYS 20 -15.723 -3.457 -3.831 117 H LEU 21 H LEU 21 -13.059 -0.423 -4.438 118 HA LEU 21 HA LEU 21 -12.689 1.879 -6.064 119 HB2 LEU 21 HB2 LEU 21 -12.082 -1.047 -6.449 120 HB3 LEU 21 HB1 LEU 21 -11.761 0.117 -7.736 121 HG LEU 21 HG LEU 21 -10.732 1.345 -5.456 122 HD11 LEU 21 1HD1 LEU 21 -11.039 -0.992 -4.411 123 HD12 LEU 21 2HD1 LEU 21 -9.439 -0.261 -4.281 124 HD13 LEU 21 3HD1 LEU 21 -9.742 -1.509 -5.489 125 HD21 LEU 21 3HD2 LEU 21 -9.912 0.649 -7.998 126 HD22 LEU 21 1HD2 LEU 21 -8.813 -0.284 -6.982 127 HD23 LEU 21 2HD2 LEU 21 -8.905 1.469 -6.804 128 H ARG 22 H ARG 22 -14.229 2.793 -7.324 129 HA ARG 22 HA ARG 22 -16.380 1.117 -8.449 130 HB2 ARG 22 HB2 ARG 22 -16.351 3.695 -7.510 131 HB3 ARG 22 HB1 ARG 22 -16.276 3.950 -9.253 132 HG2 ARG 22 HG2 ARG 22 -18.281 2.095 -7.953 133 HG3 ARG 22 HG1 ARG 22 -18.621 3.792 -8.299 134 HD2 ARG 22 HD2 ARG 22 -17.843 3.247 -10.708 135 HD3 ARG 22 HD1 ARG 22 -18.056 1.559 -10.243 136 HE ARG 22 HE ARG 22 -20.406 3.084 -9.575 137 HH11 ARG 22 1HH2 ARG 22 -19.380 3.642 -12.506 138 HH12 ARG 22 2HH2 ARG 22 -20.426 2.568 -13.375 139 HH21 ARG 22 1HH1 ARG 22 -21.444 0.844 -10.546 140 HH22 ARG 22 2HH1 ARG 22 -21.594 0.984 -12.265 141 HA PRO 23 HA PRO 23 -14.354 2.671 -12.467 142 HB2 PRO 23 HB2 PRO 23 -12.068 4.181 -12.265 143 HB3 PRO 23 HB1 PRO 23 -13.699 4.874 -12.257 144 HG2 PRO 23 HG2 PRO 23 -11.791 4.563 -10.002 145 HG3 PRO 23 HG1 PRO 23 -13.148 5.688 -10.174 146 HD2 PRO 23 HD2 PRO 23 -13.106 3.270 -8.653 147 HD3 PRO 23 HD1 PRO 23 -14.513 4.307 -8.966 148 H GLY 24 H GLY 24 -12.349 2.006 -13.767 149 HA2 GLY 24 HA2 GLY 24 -11.265 -0.450 -12.738 150 HA3 GLY 24 HA1 GLY 24 -10.728 0.362 -14.210 151 H ALA 25 H ALA 25 -10.519 0.704 -10.654 152 HA ALA 25 HA ALA 25 -7.777 1.834 -11.048 153 HB1 ALA 25 HB1 ALA 25 -9.994 2.472 -9.186 154 HB2 ALA 25 HB2 ALA 25 -8.726 3.518 -9.826 155 HB3 ALA 25 HB3 ALA 25 -8.384 2.446 -8.468 156 H GLN 26 H GLN 26 -6.273 1.288 -9.165 157 HA GLN 26 HA GLN 26 -6.643 -1.592 -8.478 158 HB2 GLN 26 HB2 GLN 26 -4.378 0.015 -9.328 159 HB3 GLN 26 HB1 GLN 26 -4.031 -0.808 -7.806 160 HG2 GLN 26 HG2 GLN 26 -3.524 -2.575 -9.152 161 HG3 GLN 26 HG1 GLN 26 -5.273 -2.800 -9.197 162 HE21 GLN 26 1HE2 GLN 26 -4.918 -3.731 -11.426 163 HE22 GLN 26 2HE2 GLN 26 -4.724 -2.673 -12.738 164 H CYS 27 H CYS 27 -7.036 1.416 -7.120 165 HA CYS 27 HA CYS 27 -7.283 0.361 -4.441 166 HB2 CYS 27 HB2 CYS 27 -5.504 1.883 -3.466 167 HB3 CYS 27 HB1 CYS 27 -4.892 0.490 -4.354 168 H GLY 28 H GLY 28 -8.009 2.064 -2.930 169 HA2 GLY 28 HA2 GLY 28 -9.217 4.361 -4.400 170 HA3 GLY 28 HA1 GLY 28 -9.895 3.651 -2.940 171 H GLU 29 H GLU 29 -7.665 3.462 -1.345 172 HA GLU 29 HA GLU 29 -6.375 6.112 -1.320 173 HB2 GLU 29 HB2 GLU 29 -7.113 6.532 1.004 174 HB3 GLU 29 HB1 GLU 29 -8.462 6.502 -0.119 175 HG2 GLU 29 HG2 GLU 29 -9.285 4.515 0.697 176 HG3 GLU 29 HG1 GLU 29 -7.691 3.927 1.173 177 H GLY 30 H GLY 30 -4.529 6.159 0.152 178 HA2 GLY 30 HA2 GLY 30 -3.648 4.297 1.966 179 HA3 GLY 30 HA1 GLY 30 -3.287 3.524 0.422 180 H LEU 31 H LEU 31 -1.059 3.932 1.692 181 HA LEU 31 HA LEU 31 0.000 6.646 1.296 182 HB2 LEU 31 HB2 LEU 31 1.765 4.308 1.916 183 HB3 LEU 31 HB1 LEU 31 1.833 5.954 2.539 184 HG LEU 31 HG LEU 31 -0.133 3.787 3.298 185 HD11 LEU 31 1HD1 LEU 31 0.853 4.763 5.606 186 HD12 LEU 31 2HD1 LEU 31 2.225 5.103 4.549 187 HD13 LEU 31 3HD1 LEU 31 1.633 3.450 4.724 188 HD21 LEU 31 3HD2 LEU 31 -1.541 5.636 3.331 189 HD22 LEU 31 1HD2 LEU 31 -0.218 6.765 3.618 190 HD23 LEU 31 2HD2 LEU 31 -0.823 5.763 4.936 191 H CYS 32 H CYS 32 0.136 3.502 -0.278 192 HA CYS 32 HA CYS 32 2.079 4.578 -2.259 193 HB2 CYS 32 HB2 CYS 32 2.567 2.364 -1.262 194 HB3 CYS 32 HB1 CYS 32 1.035 1.756 -1.889 195 H CYS 33 H CYS 33 -1.189 4.592 -1.906 196 HA CYS 33 HA CYS 33 -1.792 3.806 -4.693 197 HB2 CYS 33 HB2 CYS 33 -3.386 3.145 -2.940 198 HB3 CYS 33 HB1 CYS 33 -3.631 4.837 -2.513 199 H GLU 34 H GLU 34 -1.548 5.279 -6.266 200 HA GLU 34 HA GLU 34 -2.135 8.143 -5.631 201 HB2 GLU 34 HB2 GLU 34 0.332 7.631 -5.923 202 HB3 GLU 34 HB1 GLU 34 -0.031 7.174 -7.587 203 HG2 GLU 34 HG2 GLU 34 0.597 9.441 -7.764 204 HG3 GLU 34 HG1 GLU 34 -1.166 9.500 -7.757 205 H GLN 35 H GLN 35 -3.677 8.998 -6.967 206 HA GLN 35 HA GLN 35 -5.084 9.249 -8.838 207 HB2 GLN 35 HB2 GLN 35 -2.649 8.517 -9.918 208 HB3 GLN 35 HB1 GLN 35 -3.729 7.269 -10.539 209 HG2 GLN 35 HG2 GLN 35 -5.198 8.911 -11.509 210 HG3 GLN 35 HG1 GLN 35 -4.350 10.229 -10.696 211 HE21 GLN 35 1HE2 GLN 35 -2.383 11.003 -11.642 212 HE22 GLN 35 2HE2 GLN 35 -1.784 10.428 -13.122 213 H CYS 36 H CYS 36 -5.272 7.051 -6.792 214 HA CYS 36 HA CYS 36 -6.828 5.335 -6.381 215 HB2 CYS 36 HB2 CYS 36 -7.688 5.414 -9.265 216 HB3 CYS 36 HB1 CYS 36 -8.648 5.041 -7.829 217 H LYS 37 H LYS 37 -4.149 5.173 -8.170 218 HA LYS 37 HA LYS 37 -4.520 2.257 -8.736 219 HB2 LYS 37 HB2 LYS 37 -3.414 4.436 -10.393 220 HB3 LYS 37 HB1 LYS 37 -2.426 2.975 -10.345 221 HG2 LYS 37 HG2 LYS 37 -3.947 1.761 -11.517 222 HG3 LYS 37 HG1 LYS 37 -5.312 2.465 -10.650 223 HD2 LYS 37 HD2 LYS 37 -4.669 4.629 -12.021 224 HD3 LYS 37 HD1 LYS 37 -3.911 3.463 -13.106 225 HE2 LYS 37 HE2 LYS 37 -6.021 3.427 -14.014 226 HE3 LYS 37 HE1 LYS 37 -6.270 2.224 -12.750 227 HZ1 LYS 37 HZ1 LYS 37 -6.988 4.094 -11.292 228 HZ2 LYS 37 HZ2 LYS 37 -8.024 3.786 -12.602 229 HZ3 LYS 37 HZ3 LYS 37 -6.955 5.106 -12.652 230 H PHE 38 H PHE 38 -2.360 1.064 -8.694 231 HA PHE 38 HA PHE 38 -1.004 1.708 -6.188 232 HB2 PHE 38 HB2 PHE 38 -0.599 -0.467 -8.259 233 HB3 PHE 38 HB1 PHE 38 0.378 -0.333 -6.797 234 HD1 PHE 38 HD1 PHE 38 -1.671 0.600 -4.846 235 HD2 PHE 38 HD2 PHE 38 -1.876 -2.424 -7.889 236 HE1 PHE 38 HE1 PHE 38 -3.431 -0.579 -3.558 237 HE2 PHE 38 HE2 PHE 38 -3.637 -3.602 -6.600 238 HZ PHE 38 HZ PHE 38 -4.413 -2.679 -4.433 239 H SER 39 H SER 39 0.814 2.942 -6.024 240 HA SER 39 HA SER 39 1.994 4.226 -8.286 241 HB2 SER 39 HB2 SER 39 3.263 3.772 -5.565 242 HB3 SER 39 HB1 SER 39 3.704 5.011 -6.736 243 HG SER 39 HG SER 39 2.329 6.007 -5.367 244 H ARG 40 H ARG 40 4.742 3.202 -6.762 245 HA ARG 40 HA ARG 40 5.026 0.800 -8.506 246 HB2 ARG 40 HB2 ARG 40 6.646 3.303 -8.460 247 HB3 ARG 40 HB1 ARG 40 7.525 1.784 -8.631 248 HG2 ARG 40 HG2 ARG 40 5.160 1.823 -10.320 249 HG3 ARG 40 HG1 ARG 40 6.221 3.187 -10.674 250 HD2 ARG 40 HD2 ARG 40 8.115 1.357 -10.568 251 HD3 ARG 40 HD1 ARG 40 6.781 0.248 -10.889 252 HE ARG 40 HE ARG 40 6.373 1.487 -12.993 253 HH11 ARG 40 1HH1 ARG 40 8.094 3.855 -11.841 254 HH12 ARG 40 2HH1 ARG 40 9.440 3.781 -12.930 255 HH21 ARG 40 1HH2 ARG 40 8.620 0.642 -14.151 256 HH22 ARG 40 2HH2 ARG 40 9.737 1.963 -14.237 257 H ALA 41 H ALA 41 6.619 -0.726 -7.710 258 HA ALA 41 HA ALA 41 6.702 -0.908 -4.829 259 HB1 ALA 41 HB1 ALA 41 7.418 -3.040 -5.204 260 HB2 ALA 41 HB2 ALA 41 8.661 -2.520 -6.342 261 HB3 ALA 41 HB3 ALA 41 6.993 -2.708 -6.883 262 H GLY 42 H GLY 42 8.783 -1.069 -3.596 263 HA2 GLY 42 HA2 GLY 42 10.876 -0.181 -2.974 264 HA3 GLY 42 HA1 GLY 42 11.184 0.128 -4.685 265 H LYS 43 H LYS 43 8.295 1.263 -3.072 266 HA LYS 43 HA LYS 43 9.319 4.068 -3.437 267 HB2 LYS 43 HB2 LYS 43 7.408 3.653 -4.842 268 HB3 LYS 43 HB1 LYS 43 6.515 2.925 -3.511 269 HG2 LYS 43 HG2 LYS 43 5.610 5.081 -3.590 270 HG3 LYS 43 HG1 LYS 43 6.851 5.251 -2.354 271 HD2 LYS 43 HD2 LYS 43 8.431 6.054 -4.136 272 HD3 LYS 43 HD1 LYS 43 7.082 6.031 -5.274 273 HE2 LYS 43 HE2 LYS 43 5.861 7.503 -3.510 274 HE3 LYS 43 HE1 LYS 43 7.474 7.789 -2.859 275 HZ1 LYS 43 HZ1 LYS 43 6.459 9.299 -4.737 276 HZ2 LYS 43 HZ2 LYS 43 7.095 8.086 -5.743 277 HZ3 LYS 43 HZ3 LYS 43 8.115 8.943 -4.688 278 H ILE 44 H ILE 44 9.791 5.106 -1.538 279 HA ILE 44 HA ILE 44 9.177 4.036 1.036 280 HB ILE 44 HB ILE 44 10.965 5.636 0.873 281 HG12 ILE 44 2HG1 ILE 44 10.170 7.453 2.454 282 HG13 ILE 44 1HG1 ILE 44 8.542 6.795 2.282 283 HG21 ILE 44 1HG2 ILE 44 10.134 8.100 0.338 284 HG22 ILE 44 2HG2 ILE 44 8.871 7.235 -0.537 285 HG23 ILE 44 3HG2 ILE 44 10.565 6.986 -0.959 286 HD11 ILE 44 3HD1 ILE 44 10.580 4.762 2.876 287 HD12 ILE 44 1HD1 ILE 44 8.998 5.017 3.611 288 HD13 ILE 44 2HD1 ILE 44 10.383 5.964 4.152 289 H CYS 45 H CYS 45 7.010 3.549 1.208 290 HA CYS 45 HA CYS 45 5.116 5.853 1.089 291 HB2 CYS 45 HB2 CYS 45 3.433 3.761 1.085 292 HB3 CYS 45 HB1 CYS 45 4.104 4.428 -0.399 293 H ARG 46 H ARG 46 6.939 4.651 3.288 294 HA ARG 46 HA ARG 46 4.983 5.068 5.402 295 HB2 ARG 46 HB2 ARG 46 5.625 2.384 4.574 296 HB3 ARG 46 HB1 ARG 46 6.191 2.653 6.223 297 HG2 ARG 46 HG2 ARG 46 3.869 3.710 6.641 298 HG3 ARG 46 HG1 ARG 46 3.387 2.921 5.140 299 HD2 ARG 46 HD2 ARG 46 3.776 0.760 6.012 300 HD3 ARG 46 HD1 ARG 46 4.759 1.378 7.338 301 HE ARG 46 HE ARG 46 1.899 2.157 7.283 302 HH11 ARG 46 1HH2 ARG 46 3.913 2.322 9.616 303 HH12 ARG 46 2HH2 ARG 46 3.338 1.032 10.619 304 HH21 ARG 46 1HH1 ARG 46 1.392 -0.394 8.128 305 HH22 ARG 46 2HH1 ARG 46 1.911 -0.505 9.777 306 H ILE 47 H ILE 47 5.995 6.140 7.001 307 HA ILE 47 HA ILE 47 8.922 6.354 6.947 308 HB ILE 47 HB ILE 47 7.401 8.317 7.377 309 HG12 ILE 47 2HG1 ILE 47 8.832 8.447 9.849 310 HG13 ILE 47 1HG1 ILE 47 9.822 7.552 8.694 311 HG21 ILE 47 1HG2 ILE 47 7.095 7.229 10.167 312 HG22 ILE 47 2HG2 ILE 47 5.922 6.814 8.918 313 HG23 ILE 47 3HG2 ILE 47 6.171 8.501 9.369 314 HD11 ILE 47 3HD1 ILE 47 8.829 10.377 8.544 315 HD12 ILE 47 1HD1 ILE 47 9.107 9.488 7.046 316 HD13 ILE 47 2HD1 ILE 47 10.432 9.737 8.184 317 H ALA 48 H ALA 48 10.304 5.615 8.582 318 HA ALA 48 HA ALA 48 9.452 3.252 10.009 319 HB1 ALA 48 HB1 ALA 48 11.909 4.492 10.997 320 HB2 ALA 48 HB2 ALA 48 11.886 4.348 9.238 321 HB3 ALA 48 HB3 ALA 48 11.674 2.915 10.244 322 H ARG 49 H ARG 49 8.848 3.038 12.146 323 HA ARG 49 HA ARG 49 7.950 5.398 13.561 324 HB2 ARG 49 HB2 ARG 49 8.324 2.623 14.716 325 HB3 ARG 49 HB1 ARG 49 7.209 3.876 15.264 326 HG2 ARG 49 HG2 ARG 49 6.779 3.341 12.459 327 HG3 ARG 49 HG1 ARG 49 6.689 1.837 13.379 328 HD2 ARG 49 HD2 ARG 49 4.506 3.163 13.169 329 HD3 ARG 49 HD1 ARG 49 4.977 2.690 14.802 330 HE ARG 49 HE ARG 49 5.960 5.333 14.051 331 HH11 ARG 49 1HH2 ARG 49 2.927 3.897 14.509 332 HH12 ARG 49 2HH2 ARG 49 2.398 5.019 15.718 333 HH21 ARG 49 1HH1 ARG 49 5.466 6.618 15.956 334 HH22 ARG 49 2HH1 ARG 49 3.836 6.558 16.538 335 H GLY 50 H GLY 50 10.222 6.391 13.434 336 HA2 GLY 50 HA2 GLY 50 11.446 6.952 15.731 337 HA3 GLY 50 HA1 GLY 50 12.078 5.325 15.486 338 H ASP 51 H ASP 51 13.750 5.046 14.033 339 HA ASP 51 HA ASP 51 14.333 6.836 11.867 340 HB2 ASP 51 HB2 ASP 51 15.235 7.686 14.459 341 HB3 ASP 51 HB1 ASP 51 16.638 7.272 13.472 342 H TRP 52 H TRP 52 14.222 4.192 11.692 343 HA TRP 52 HA TRP 52 17.086 3.354 11.621 344 HB2 TRP 52 HB2 TRP 52 15.889 0.958 11.846 345 HB3 TRP 52 HB1 TRP 52 16.406 1.891 13.245 346 HD1 TRP 52 HD TRP 52 13.227 2.007 11.005 347 HE1 TRP 52 HE1 TRP 52 11.176 2.094 12.559 348 HE3 TRP 52 HE3 TRP 52 15.553 1.895 15.553 349 HZ2 TRP 52 HZ2 TRP 52 10.594 2.116 15.358 350 HZ3 TRP 52 HZ3 TRP 52 14.225 1.959 17.643 351 HH2 TRP 52 HH TRP 52 11.752 2.071 17.553 352 H ASN 53 H ASN 53 14.720 1.122 10.464 353 HA ASN 53 HA ASN 53 15.724 1.541 7.727 354 HB2 ASN 53 HB2 ASN 53 14.036 -0.568 9.067 355 HB3 ASN 53 HB1 ASN 53 14.172 -0.495 7.310 356 HD21 ASN 53 1HD2 ASN 53 15.859 -1.354 10.254 357 HD22 ASN 53 2HD2 ASN 53 17.286 -1.895 9.511 358 H ASP 54 H ASP 54 14.035 1.454 5.917 359 HA ASP 54 HA ASP 54 11.714 3.188 6.675 360 HB2 ASP 54 HB2 ASP 54 11.913 3.599 4.020 361 HB3 ASP 54 HB1 ASP 54 12.814 4.558 5.193 362 H ASP 55 H ASP 55 10.155 2.957 4.442 363 HA ASP 55 HA ASP 55 9.716 0.026 4.078 364 HB2 ASP 55 HB2 ASP 55 7.413 1.925 4.502 365 HB3 ASP 55 HB1 ASP 55 7.428 0.166 4.639 366 H ARG 56 H ARG 56 9.698 -0.365 1.922 367 HA ARG 56 HA ARG 56 8.985 1.872 0.085 368 HB2 ARG 56 HB2 ARG 56 10.237 -0.746 -0.725 369 HB3 ARG 56 HB1 ARG 56 10.298 0.808 -1.551 370 HG2 ARG 56 HG2 ARG 56 11.345 1.151 1.089 371 HG3 ARG 56 HG1 ARG 56 12.151 -0.227 0.339 372 HD2 ARG 56 HD2 ARG 56 12.218 1.449 -1.749 373 HD3 ARG 56 HD1 ARG 56 12.178 2.647 -0.457 374 HE ARG 56 HE ARG 56 14.528 1.487 -1.169 375 HH11 ARG 56 1HH2 ARG 56 12.872 2.125 1.692 376 HH12 ARG 56 2HH2 ARG 56 13.964 1.259 2.719 377 HH21 ARG 56 1HH1 ARG 56 15.778 -0.094 0.093 378 HH22 ARG 56 2HH1 ARG 56 15.613 0.002 1.813 379 H CYS 57 H CYS 57 7.368 1.657 -1.431 380 HA CYS 57 HA CYS 57 5.136 0.022 -0.924 381 HB2 CYS 57 HB2 CYS 57 5.240 2.044 -2.472 382 HB3 CYS 57 HB1 CYS 57 5.979 0.987 -3.665 383 H THR 58 H THR 58 4.552 -2.020 -1.643 384 HA THR 58 HA THR 58 6.707 -3.785 -2.493 385 HB THR 58 HB THR 58 4.337 -5.218 -2.694 386 HG1 THR 58 HG1 THR 58 3.395 -4.496 -0.603 387 HG21 THR 58 3HG2 THR 58 6.508 -4.833 -0.713 388 HG22 THR 58 1HG2 THR 58 5.923 -6.316 -1.469 389 HG23 THR 58 2HG2 THR 58 5.047 -5.615 -0.109 390 H GLY 59 H GLY 59 4.449 -1.820 -4.099 391 HA2 GLY 59 HA2 GLY 59 4.451 -1.499 -6.482 392 HA3 GLY 59 HA1 GLY 59 5.166 -3.099 -6.671 393 H GLN 60 H GLN 60 3.005 -3.957 -4.578 394 HA GLN 60 HA GLN 60 0.730 -4.074 -6.515 395 HB2 GLN 60 HB2 GLN 60 1.478 -6.330 -4.648 396 HB3 GLN 60 HB1 GLN 60 0.375 -6.378 -6.024 397 HG2 GLN 60 HG2 GLN 60 2.415 -5.745 -7.461 398 HG3 GLN 60 HG1 GLN 60 3.387 -6.171 -6.052 399 HE21 GLN 60 1HE2 GLN 60 3.478 -8.430 -5.417 400 HE22 GLN 60 2HE2 GLN 60 2.879 -9.665 -6.416 401 H SER 61 H SER 61 1.757 -3.164 -3.436 402 HA SER 61 HA SER 61 -1.042 -3.401 -2.383 403 HB2 SER 61 HB2 SER 61 0.496 -4.635 -0.982 404 HB3 SER 61 HB1 SER 61 1.611 -3.274 -0.924 405 HG SER 61 HG SER 61 -0.194 -3.751 0.804 406 H ALA 62 H ALA 62 -2.065 -1.534 -1.688 407 HA ALA 62 HA ALA 62 -0.867 1.018 -2.485 408 HB1 ALA 62 HB1 ALA 62 -3.532 0.061 -1.608 409 HB2 ALA 62 HB2 ALA 62 -3.112 1.247 -2.844 410 HB3 ALA 62 HB3 ALA 62 -3.135 1.714 -1.144 411 H ASP 63 H ASP 63 -1.823 -0.560 0.568 412 HA ASP 63 HA ASP 63 -0.771 1.659 2.172 413 HB2 ASP 63 HB2 ASP 63 -2.408 -0.642 2.635 414 HB3 ASP 63 HB1 ASP 63 -1.005 -0.760 3.697 415 H CYS 64 H CYS 64 1.404 1.923 2.371 416 HA CYS 64 HA CYS 64 3.376 0.163 1.473 417 HB2 CYS 64 HB2 CYS 64 3.432 2.636 2.557 418 HB3 CYS 64 HB1 CYS 64 4.065 1.708 3.907 419 HA PRO 65 HA PRO 65 3.120 -3.112 4.383 420 HB2 PRO 65 HB2 PRO 65 5.189 -4.524 3.278 421 HB3 PRO 65 HB1 PRO 65 3.559 -4.518 2.607 422 HG2 PRO 65 HG2 PRO 65 6.023 -3.183 1.615 423 HG3 PRO 65 HG1 PRO 65 4.578 -3.683 0.719 424 HD2 PRO 65 HD2 PRO 65 5.197 -1.051 1.542 425 HD3 PRO 65 HD1 PRO 65 3.629 -1.619 0.932 426 H ARG 66 H ARG 66 4.243 -3.631 6.290 427 HA ARG 66 HA ARG 66 6.485 -1.901 7.024 428 HB2 ARG 66 HB2 ARG 66 4.656 -2.574 8.621 429 HB3 ARG 66 HB1 ARG 66 5.293 -4.218 8.575 430 HG2 ARG 66 HG2 ARG 66 7.470 -2.411 9.051 431 HG3 ARG 66 HG1 ARG 66 6.177 -2.050 10.195 432 HD2 ARG 66 HD2 ARG 66 6.543 -4.921 9.872 433 HD3 ARG 66 HD1 ARG 66 8.030 -4.132 10.403 434 HE ARG 66 HE ARG 66 6.983 -4.036 12.503 435 HH11 ARG 66 1HH1 ARG 66 4.509 -5.034 10.587 436 HH12 ARG 66 2HH1 ARG 66 3.259 -4.120 11.363 437 HH21 ARG 66 1HH2 ARG 66 5.459 -2.217 13.254 438 HH22 ARG 66 2HH2 ARG 66 3.796 -2.524 12.874 439 H ASN 67 H ASN 67 8.426 -2.457 6.085 440 HA ASN 67 HA ASN 67 9.276 -5.314 6.365 441 HB2 ASN 67 HB2 ASN 67 8.861 -4.837 4.008 442 HB3 ASN 67 HB1 ASN 67 9.869 -3.391 4.097 443 HD21 ASN 67 1HD2 ASN 67 11.251 -4.438 2.388 444 HD22 ASN 67 2HD2 ASN 67 12.380 -5.619 2.847 445 H GLY 68 H GLY 68 9.874 -2.112 7.222 446 HA2 GLY 68 HA2 GLY 68 12.764 -2.705 7.720 447 HA3 GLY 68 HA1 GLY 68 12.117 -1.077 7.527 448 H LEU 69 H LEU 69 9.839 -2.722 9.250 449 HA LEU 69 HA LEU 69 11.057 -1.869 11.847 450 HB2 LEU 69 HB2 LEU 69 8.377 -1.466 10.660 451 HB3 LEU 69 HB1 LEU 69 8.373 -1.962 12.353 452 HG LEU 69 HG LEU 69 8.463 0.540 11.991 453 HD11 LEU 69 1HD1 LEU 69 9.431 -0.847 13.994 454 HD12 LEU 69 2HD1 LEU 69 9.855 0.859 13.848 455 HD13 LEU 69 3HD1 LEU 69 10.996 -0.381 13.328 456 HD21 LEU 69 3HD2 LEU 69 11.364 0.326 11.394 457 HD22 LEU 69 1HD2 LEU 69 10.193 1.530 10.859 458 HD23 LEU 69 2HD2 LEU 69 10.275 -0.037 10.056 459 H TYR 70 H TYR 70 9.662 -3.082 13.701 460 HA TYR 70 HA TYR 70 9.710 -5.980 12.958 461 HB2 TYR 70 HB2 TYR 70 9.953 -6.054 15.647 462 HB3 TYR 70 HB1 TYR 70 11.344 -5.959 14.568 463 HD1 TYR 70 HD2 TYR 70 12.112 -3.556 13.873 464 HD2 TYR 70 HD1 TYR 70 9.634 -4.401 17.280 465 HE1 TYR 70 HE2 TYR 70 12.737 -1.374 14.871 466 HE2 TYR 70 HE1 TYR 70 10.260 -2.217 18.275 467 HH TYR 70 HH TYR 70 12.007 -0.568 18.135 468 H GLY 71 H GLY 71 7.608 -6.593 12.695 469 HA2 GLY 71 HA2 GLY 71 5.608 -5.571 14.667 470 HA3 GLY 71 HA1 GLY 71 5.205 -6.099 13.033 Start of MODEL 11 1 H GLY 1 HT1 GLY 1 -11.020 -5.259 -0.020 2 HA2 GLY 1 HA1 GLY 1 -12.207 -6.585 1.441 3 HA3 GLY 1 HA2 GLY 1 -13.085 -5.055 1.450 4 H LYS 2 H LYS 2 -14.511 -7.255 2.176 5 HA LYS 2 HA LYS 2 -15.810 -8.537 -0.085 6 HB2 LYS 2 HB2 LYS 2 -16.020 -8.612 2.858 7 HB3 LYS 2 HB1 LYS 2 -17.542 -8.887 2.007 8 HG2 LYS 2 HG2 LYS 2 -16.890 -10.935 1.323 9 HG3 LYS 2 HG1 LYS 2 -15.336 -10.322 0.756 10 HD2 LYS 2 HD2 LYS 2 -14.358 -10.517 2.928 11 HD3 LYS 2 HD1 LYS 2 -15.929 -10.785 3.686 12 HE2 LYS 2 HE2 LYS 2 -15.263 -12.695 1.536 13 HE3 LYS 2 HE1 LYS 2 -14.218 -12.790 2.954 14 HZ1 LYS 2 HZ1 LYS 2 -17.135 -13.168 2.780 15 HZ2 LYS 2 HZ2 LYS 2 -16.413 -12.718 4.250 16 HZ3 LYS 2 HZ3 LYS 2 -15.971 -14.173 3.493 17 H GLU 3 H GLU 3 -16.010 -5.452 1.188 18 HA GLU 3 HA GLU 3 -18.234 -4.726 -0.477 19 HB2 GLU 3 HB2 GLU 3 -18.812 -5.545 2.291 20 HB3 GLU 3 HB1 GLU 3 -19.454 -3.957 1.868 21 HG2 GLU 3 HG2 GLU 3 -20.126 -5.342 -0.364 22 HG3 GLU 3 HG1 GLU 3 -20.199 -6.636 0.832 23 H CYS 4 H CYS 4 -15.491 -3.878 0.350 24 HA CYS 4 HA CYS 4 -15.863 -1.074 0.196 25 HB2 CYS 4 HB2 CYS 4 -16.691 -1.221 2.501 26 HB3 CYS 4 HB1 CYS 4 -15.229 -2.078 2.986 27 H ASP 5 H ASP 5 -13.951 -0.237 -0.532 28 HA ASP 5 HA ASP 5 -11.475 -1.830 0.006 29 HB2 ASP 5 HB2 ASP 5 -12.414 -1.777 -2.403 30 HB3 ASP 5 HB1 ASP 5 -11.886 -0.094 -2.429 31 H CYS 6 H CYS 6 -13.046 1.100 0.511 32 HA CYS 6 HA CYS 6 -10.493 2.343 1.371 33 HB2 CYS 6 HB2 CYS 6 -10.971 4.441 0.292 34 HB3 CYS 6 HB1 CYS 6 -11.106 3.189 -0.942 35 H SER 7 H SER 7 -10.752 3.633 3.216 36 HA SER 7 HA SER 7 -13.384 3.381 4.543 37 HB2 SER 7 HB2 SER 7 -12.048 4.437 6.482 38 HB3 SER 7 HB1 SER 7 -11.596 2.809 5.987 39 HG SER 7 HG SER 7 -9.721 3.945 6.059 40 H SER 8 H SER 8 -12.147 5.505 2.402 41 HA SER 8 HA SER 8 -13.194 7.909 3.815 42 HB2 SER 8 HB2 SER 8 -12.122 8.689 1.342 43 HB3 SER 8 HB1 SER 8 -11.369 8.873 2.923 44 HG SER 8 HG SER 8 -11.024 6.877 0.976 45 HA PRO 9 HA PRO 9 -16.745 7.323 1.146 46 HB2 PRO 9 HB2 PRO 9 -18.256 9.288 2.335 47 HB3 PRO 9 HB1 PRO 9 -18.075 7.655 3.000 48 HG2 PRO 9 HG2 PRO 9 -16.839 10.205 3.927 49 HG3 PRO 9 HG1 PRO 9 -17.210 8.738 4.848 50 HD2 PRO 9 HD2 PRO 9 -14.654 9.496 3.898 51 HD3 PRO 9 HD1 PRO 9 -15.104 7.894 4.522 52 H GLU 10 H GLU 10 -15.065 10.355 1.794 53 HA GLU 10 HA GLU 10 -16.308 11.659 -0.553 54 HB2 GLU 10 HB2 GLU 10 -15.655 12.777 1.739 55 HB3 GLU 10 HB1 GLU 10 -14.045 12.850 1.023 56 HG2 GLU 10 HG2 GLU 10 -15.424 13.795 -1.061 57 HG3 GLU 10 HG1 GLU 10 -16.544 14.272 0.217 58 H ASN 11 H ASN 11 -14.501 9.278 -0.777 59 HA ASN 11 HA ASN 11 -12.169 10.469 -2.181 60 HB2 ASN 11 HB2 ASN 11 -11.860 8.591 -0.521 61 HB3 ASN 11 HB1 ASN 11 -12.749 7.547 -1.630 62 HD21 ASN 11 1HD2 ASN 11 -9.792 7.579 -0.780 63 HD22 ASN 11 2HD2 ASN 11 -8.942 7.588 -2.248 64 HA PRO 12 HA PRO 12 -14.423 9.723 -5.956 65 HB2 PRO 12 HB2 PRO 12 -12.459 10.677 -7.628 66 HB3 PRO 12 HB1 PRO 12 -13.567 11.724 -6.723 67 HG2 PRO 12 HG2 PRO 12 -10.687 11.144 -6.204 68 HG3 PRO 12 HG1 PRO 12 -11.637 12.579 -5.784 69 HD2 PRO 12 HD2 PRO 12 -10.916 10.496 -4.011 70 HD3 PRO 12 HD1 PRO 12 -12.138 11.749 -3.706 71 H CYS 13 H CYS 13 -11.658 8.171 -4.820 72 HA CYS 13 HA CYS 13 -11.094 6.611 -7.244 73 HB2 CYS 13 HB2 CYS 13 -10.095 6.422 -4.388 74 HB3 CYS 13 HB1 CYS 13 -9.565 5.344 -5.676 75 H CYS 14 H CYS 14 -13.195 6.405 -4.495 76 HA CYS 14 HA CYS 14 -14.046 3.708 -5.431 77 HB2 CYS 14 HB2 CYS 14 -14.424 3.168 -2.944 78 HB3 CYS 14 HB1 CYS 14 -12.760 3.136 -3.528 79 H ASP 15 H ASP 15 -16.219 3.132 -4.664 80 HA ASP 15 HA ASP 15 -17.978 5.516 -4.663 81 HB2 ASP 15 HB2 ASP 15 -18.184 3.361 -6.175 82 HB3 ASP 15 HB1 ASP 15 -18.962 2.683 -4.747 83 H ALA 16 H ALA 16 -19.202 6.057 -2.885 84 HA ALA 16 HA ALA 16 -18.610 4.756 -0.348 85 HB1 ALA 16 HB1 ALA 16 -19.037 7.225 -0.608 86 HB2 ALA 16 HB2 ALA 16 -20.030 6.458 0.631 87 HB3 ALA 16 HB3 ALA 16 -20.726 6.844 -0.943 88 H ALA 17 H ALA 17 -21.322 4.795 -2.622 89 HA ALA 17 HA ALA 17 -23.335 3.610 -1.073 90 HB1 ALA 17 HB1 ALA 17 -22.679 3.752 -3.929 91 HB2 ALA 17 HB2 ALA 17 -24.248 3.866 -3.132 92 HB3 ALA 17 HB3 ALA 17 -23.558 2.285 -3.498 93 H THR 18 H THR 18 -20.469 2.145 -2.509 94 HA THR 18 HA THR 18 -21.193 -0.415 -1.138 95 HB THR 18 HB THR 18 -20.077 -1.627 -2.853 96 HG1 THR 18 HG1 THR 18 -19.229 0.623 -4.235 97 HG21 THR 18 3HG2 THR 18 -21.468 0.722 -4.173 98 HG22 THR 18 1HG2 THR 18 -22.261 -0.730 -3.563 99 HG23 THR 18 2HG2 THR 18 -21.151 -0.839 -4.930 100 H CYS 19 H CYS 19 -18.972 2.188 -1.374 101 HA CYS 19 HA CYS 19 -17.104 2.660 -0.001 102 HB2 CYS 19 HB2 CYS 19 -18.438 1.080 1.617 103 HB3 CYS 19 HB1 CYS 19 -17.249 -0.126 1.129 104 H LYS 20 H LYS 20 -17.288 0.774 -2.540 105 HA LYS 20 HA LYS 20 -14.480 -0.253 -2.320 106 HB2 LYS 20 HB2 LYS 20 -16.543 -1.203 -4.313 107 HB3 LYS 20 HB1 LYS 20 -15.047 -2.001 -3.828 108 HG2 LYS 20 HG2 LYS 20 -15.948 -2.343 -1.561 109 HG3 LYS 20 HG1 LYS 20 -17.441 -1.525 -2.025 110 HD2 LYS 20 HD2 LYS 20 -18.032 -3.758 -2.341 111 HD3 LYS 20 HD1 LYS 20 -17.478 -3.315 -3.957 112 HE2 LYS 20 HE2 LYS 20 -15.123 -4.067 -2.824 113 HE3 LYS 20 HE1 LYS 20 -16.241 -5.130 -1.969 114 HZ1 LYS 20 HZ1 LYS 20 -15.279 -5.401 -4.565 115 HZ2 LYS 20 HZ2 LYS 20 -16.935 -5.048 -4.692 116 HZ3 LYS 20 HZ3 LYS 20 -16.414 -6.378 -3.771 117 H LEU 21 H LEU 21 -13.589 -0.505 -4.749 118 HA LEU 21 HA LEU 21 -13.164 2.134 -5.733 119 HB2 LEU 21 HB2 LEU 21 -12.612 -0.626 -6.749 120 HB3 LEU 21 HB1 LEU 21 -12.456 0.727 -7.871 121 HG LEU 21 HG LEU 21 -11.155 1.751 -5.729 122 HD11 LEU 21 1HD1 LEU 21 -11.335 -1.135 -5.309 123 HD12 LEU 21 2HD1 LEU 21 -10.786 0.125 -4.203 124 HD13 LEU 21 3HD1 LEU 21 -9.665 -0.574 -5.372 125 HD21 LEU 21 3HD2 LEU 21 -10.518 1.031 -8.278 126 HD22 LEU 21 1HD2 LEU 21 -9.490 -0.075 -7.365 127 HD23 LEU 21 2HD2 LEU 21 -9.348 1.665 -7.122 128 H ARG 22 H ARG 22 -14.296 3.351 -7.231 129 HA ARG 22 HA ARG 22 -16.871 2.247 -8.138 130 HB2 ARG 22 HB2 ARG 22 -17.318 4.384 -7.463 131 HB3 ARG 22 HB1 ARG 22 -15.702 4.964 -7.839 132 HG2 ARG 22 HG2 ARG 22 -16.289 4.870 -10.273 133 HG3 ARG 22 HG1 ARG 22 -17.931 4.410 -9.823 134 HD2 ARG 22 HD2 ARG 22 -16.532 7.038 -9.462 135 HD3 ARG 22 HD1 ARG 22 -18.167 6.712 -10.035 136 HE ARG 22 HE ARG 22 -17.500 6.215 -7.172 137 HH11 ARG 22 1HH2 ARG 22 -20.239 6.183 -8.713 138 HH12 ARG 22 2HH2 ARG 22 -20.943 7.627 -8.066 139 HH21 ARG 22 1HH1 ARG 22 -17.962 8.802 -6.739 140 HH22 ARG 22 2HH1 ARG 22 -19.654 9.110 -6.948 141 HA PRO 23 HA PRO 23 -15.011 3.156 -12.421 142 HB2 PRO 23 HB2 PRO 23 -12.492 4.246 -12.563 143 HB3 PRO 23 HB1 PRO 23 -13.974 5.217 -12.496 144 HG2 PRO 23 HG2 PRO 23 -11.973 4.690 -10.340 145 HG3 PRO 23 HG1 PRO 23 -13.015 6.103 -10.584 146 HD2 PRO 23 HD2 PRO 23 -13.486 4.050 -8.724 147 HD3 PRO 23 HD1 PRO 23 -14.691 5.219 -9.303 148 H GLY 24 H GLY 24 -12.555 2.545 -13.567 149 HA2 GLY 24 HA2 GLY 24 -12.102 -0.180 -12.518 150 HA3 GLY 24 HA1 GLY 24 -11.515 0.443 -14.061 151 H ALA 25 H ALA 25 -11.164 1.794 -10.784 152 HA ALA 25 HA ALA 25 -8.327 2.289 -11.256 153 HB1 ALA 25 HB1 ALA 25 -8.927 3.924 -9.807 154 HB2 ALA 25 HB2 ALA 25 -8.767 2.697 -8.553 155 HB3 ALA 25 HB3 ALA 25 -10.346 3.030 -9.262 156 H GLN 26 H GLN 26 -6.772 1.591 -9.387 157 HA GLN 26 HA GLN 26 -7.202 -1.331 -8.937 158 HB2 GLN 26 HB2 GLN 26 -4.963 0.214 -9.870 159 HB3 GLN 26 HB1 GLN 26 -4.519 -0.591 -8.365 160 HG2 GLN 26 HG2 GLN 26 -4.213 -2.474 -9.565 161 HG3 GLN 26 HG1 GLN 26 -5.958 -2.514 -9.815 162 HE21 GLN 26 1HE2 GLN 26 -2.889 -1.913 -11.365 163 HE22 GLN 26 2HE2 GLN 26 -3.510 -1.528 -12.897 164 H CYS 27 H CYS 27 -7.495 1.536 -7.323 165 HA CYS 27 HA CYS 27 -7.540 0.279 -4.723 166 HB2 CYS 27 HB2 CYS 27 -5.680 1.595 -3.730 167 HB3 CYS 27 HB1 CYS 27 -5.111 0.448 -4.942 168 H GLY 28 H GLY 28 -8.365 1.734 -3.102 169 HA2 GLY 28 HA2 GLY 28 -9.588 4.183 -4.264 170 HA3 GLY 28 HA1 GLY 28 -10.154 3.362 -2.814 171 H GLU 29 H GLU 29 -7.734 3.020 -1.501 172 HA GLU 29 HA GLU 29 -6.475 5.680 -1.296 173 HB2 GLU 29 HB2 GLU 29 -6.978 5.857 1.087 174 HB3 GLU 29 HB1 GLU 29 -8.471 5.770 0.168 175 HG2 GLU 29 HG2 GLU 29 -9.072 4.019 1.443 176 HG3 GLU 29 HG1 GLU 29 -7.772 3.102 0.680 177 H GLY 30 H GLY 30 -4.967 5.314 0.968 178 HA2 GLY 30 HA2 GLY 30 -3.710 3.368 2.028 179 HA3 GLY 30 HA1 GLY 30 -3.535 2.747 0.386 180 H LEU 31 H LEU 31 -1.240 3.125 1.803 181 HA LEU 31 HA LEU 31 -0.112 5.783 1.354 182 HB2 LEU 31 HB2 LEU 31 1.101 3.134 2.190 183 HB3 LEU 31 HB1 LEU 31 2.041 4.614 2.016 184 HG LEU 31 HG LEU 31 0.027 5.537 3.560 185 HD11 LEU 31 1HD1 LEU 31 -1.121 3.913 4.620 186 HD12 LEU 31 2HD1 LEU 31 0.381 3.156 5.151 187 HD13 LEU 31 3HD1 LEU 31 -0.319 2.729 3.588 188 HD21 LEU 31 3HD2 LEU 31 2.161 5.985 4.343 189 HD22 LEU 31 1HD2 LEU 31 2.694 4.316 4.144 190 HD23 LEU 31 2HD2 LEU 31 1.671 4.757 5.510 191 H CYS 32 H CYS 32 -0.519 2.917 -0.500 192 HA CYS 32 HA CYS 32 1.561 3.856 -2.427 193 HB2 CYS 32 HB2 CYS 32 1.215 1.352 -1.318 194 HB3 CYS 32 HB1 CYS 32 0.434 1.191 -2.893 195 H CYS 33 H CYS 33 -1.665 4.141 -1.951 196 HA CYS 33 HA CYS 33 -2.472 3.530 -4.724 197 HB2 CYS 33 HB2 CYS 33 -4.036 3.063 -2.854 198 HB3 CYS 33 HB1 CYS 33 -4.082 4.783 -2.477 199 H GLU 34 H GLU 34 -2.121 4.999 -6.290 200 HA GLU 34 HA GLU 34 -2.243 7.898 -5.553 201 HB2 GLU 34 HB2 GLU 34 0.086 7.206 -5.987 202 HB3 GLU 34 HB1 GLU 34 -0.394 6.574 -7.561 203 HG2 GLU 34 HG2 GLU 34 -0.393 8.630 -8.500 204 HG3 GLU 34 HG1 GLU 34 -1.278 9.332 -7.145 205 H GLN 35 H GLN 35 -3.890 8.879 -6.619 206 HA GLN 35 HA GLN 35 -5.458 9.366 -8.297 207 HB2 GLN 35 HB2 GLN 35 -3.049 8.488 -9.667 208 HB3 GLN 35 HB1 GLN 35 -4.494 8.036 -10.572 209 HG2 GLN 35 HG2 GLN 35 -3.750 10.809 -9.598 210 HG3 GLN 35 HG1 GLN 35 -3.842 10.260 -11.272 211 HE21 GLN 35 1HE2 GLN 35 -6.026 9.758 -12.142 212 HE22 GLN 35 2HE2 GLN 35 -7.404 10.432 -11.417 213 H CYS 36 H CYS 36 -5.742 6.971 -6.662 214 HA CYS 36 HA CYS 36 -7.211 5.141 -6.566 215 HB2 CYS 36 HB2 CYS 36 -8.021 5.647 -9.419 216 HB3 CYS 36 HB1 CYS 36 -9.003 5.059 -8.073 217 H LYS 37 H LYS 37 -4.431 5.124 -7.866 218 HA LYS 37 HA LYS 37 -4.743 2.441 -9.142 219 HB2 LYS 37 HB2 LYS 37 -3.011 4.753 -10.057 220 HB3 LYS 37 HB1 LYS 37 -2.783 3.096 -10.620 221 HG2 LYS 37 HG2 LYS 37 -5.519 3.515 -10.916 222 HG3 LYS 37 HG1 LYS 37 -4.807 5.054 -11.403 223 HD2 LYS 37 HD2 LYS 37 -3.478 2.597 -12.427 224 HD3 LYS 37 HD1 LYS 37 -5.064 2.978 -13.103 225 HE2 LYS 37 HE2 LYS 37 -4.304 5.212 -13.726 226 HE3 LYS 37 HE1 LYS 37 -2.744 4.927 -12.955 227 HZ1 LYS 37 HZ1 LYS 37 -2.225 3.257 -14.529 228 HZ2 LYS 37 HZ2 LYS 37 -2.789 4.592 -15.415 229 HZ3 LYS 37 HZ3 LYS 37 -3.799 3.250 -15.161 230 H PHE 38 H PHE 38 -2.660 1.176 -9.042 231 HA PHE 38 HA PHE 38 -1.520 1.426 -6.354 232 HB2 PHE 38 HB2 PHE 38 -1.213 -0.545 -8.616 233 HB3 PHE 38 HB1 PHE 38 -0.134 -0.593 -7.223 234 HD1 PHE 38 HD1 PHE 38 -1.902 0.178 -5.013 235 HD2 PHE 38 HD2 PHE 38 -2.654 -2.391 -8.371 236 HE1 PHE 38 HE1 PHE 38 -3.626 -1.030 -3.705 237 HE2 PHE 38 HE2 PHE 38 -4.380 -3.599 -7.061 238 HZ PHE 38 HZ PHE 38 -4.865 -2.918 -4.727 239 H SER 39 H SER 39 0.330 2.533 -5.903 240 HA SER 39 HA SER 39 1.808 3.926 -7.919 241 HB2 SER 39 HB2 SER 39 2.817 3.174 -5.160 242 HB3 SER 39 HB1 SER 39 3.339 4.531 -6.154 243 HG SER 39 HG SER 39 1.763 5.015 -4.463 244 H ARG 40 H ARG 40 4.486 3.001 -6.644 245 HA ARG 40 HA ARG 40 4.712 0.458 -8.203 246 HB2 ARG 40 HB2 ARG 40 7.031 1.219 -8.811 247 HB3 ARG 40 HB1 ARG 40 5.755 2.223 -9.502 248 HG2 ARG 40 HG2 ARG 40 6.133 3.974 -7.976 249 HG3 ARG 40 HG1 ARG 40 6.988 2.925 -6.844 250 HD2 ARG 40 HD2 ARG 40 8.644 2.629 -8.900 251 HD3 ARG 40 HD1 ARG 40 7.972 4.190 -9.372 252 HE ARG 40 HE ARG 40 8.796 4.170 -6.590 253 HH11 ARG 40 1HH2 ARG 40 10.808 3.289 -8.991 254 HH12 ARG 40 2HH2 ARG 40 11.787 4.717 -9.003 255 HH21 ARG 40 1HH1 ARG 40 9.637 6.528 -6.973 256 HH22 ARG 40 2HH1 ARG 40 11.124 6.552 -7.860 257 H ALA 41 H ALA 41 6.530 -0.924 -7.463 258 HA ALA 41 HA ALA 41 6.656 -1.002 -4.555 259 HB1 ALA 41 HB1 ALA 41 7.377 -3.148 -4.840 260 HB2 ALA 41 HB2 ALA 41 8.543 -2.692 -6.081 261 HB3 ALA 41 HB3 ALA 41 6.846 -2.916 -6.505 262 H GLY 42 H GLY 42 8.806 -1.141 -3.422 263 HA2 GLY 42 HA2 GLY 42 10.926 -0.232 -2.942 264 HA3 GLY 42 HA1 GLY 42 11.144 0.012 -4.678 265 H LYS 43 H LYS 43 8.280 1.222 -3.140 266 HA LYS 43 HA LYS 43 9.307 3.998 -3.603 267 HB2 LYS 43 HB2 LYS 43 7.360 4.164 -4.741 268 HB3 LYS 43 HB1 LYS 43 6.766 2.652 -4.081 269 HG2 LYS 43 HG2 LYS 43 5.204 3.953 -3.078 270 HG3 LYS 43 HG1 LYS 43 6.458 4.350 -1.922 271 HD2 LYS 43 HD2 LYS 43 6.100 5.888 -4.496 272 HD3 LYS 43 HD1 LYS 43 5.254 6.327 -3.012 273 HE2 LYS 43 HE2 LYS 43 7.804 6.046 -2.091 274 HE3 LYS 43 HE1 LYS 43 8.103 6.647 -3.721 275 HZ1 LYS 43 HZ1 LYS 43 7.832 8.426 -2.058 276 HZ2 LYS 43 HZ2 LYS 43 6.239 7.903 -1.781 277 HZ3 LYS 43 HZ3 LYS 43 6.684 8.511 -3.304 278 H ILE 44 H ILE 44 9.825 5.189 -1.837 279 HA ILE 44 HA ILE 44 9.632 4.184 0.805 280 HB ILE 44 HB ILE 44 11.224 5.924 0.305 281 HG12 ILE 44 2HG1 ILE 44 10.425 7.730 1.993 282 HG13 ILE 44 1HG1 ILE 44 9.009 6.702 2.204 283 HG21 ILE 44 1HG2 ILE 44 10.663 7.544 -1.139 284 HG22 ILE 44 2HG2 ILE 44 9.588 8.233 0.080 285 HG23 ILE 44 3HG2 ILE 44 8.975 7.043 -1.067 286 HD11 ILE 44 3HD1 ILE 44 10.292 4.902 3.035 287 HD12 ILE 44 1HD1 ILE 44 11.012 6.320 3.797 288 HD13 ILE 44 2HD1 ILE 44 11.798 5.572 2.407 289 H CYS 45 H CYS 45 7.628 3.572 1.459 290 HA CYS 45 HA CYS 45 5.337 5.435 1.183 291 HB2 CYS 45 HB2 CYS 45 4.111 3.475 2.319 292 HB3 CYS 45 HB1 CYS 45 4.680 3.226 0.670 293 H ARG 46 H ARG 46 7.702 4.492 3.473 294 HA ARG 46 HA ARG 46 6.483 6.281 5.467 295 HB2 ARG 46 HB2 ARG 46 6.548 3.321 5.745 296 HB3 ARG 46 HB1 ARG 46 7.047 4.248 7.160 297 HG2 ARG 46 HG2 ARG 46 4.926 4.892 7.592 298 HG3 ARG 46 HG1 ARG 46 4.664 5.377 5.917 299 HD2 ARG 46 HD2 ARG 46 3.804 3.328 5.309 300 HD3 ARG 46 HD1 ARG 46 4.769 2.452 6.497 301 HE ARG 46 HE ARG 46 2.094 3.323 6.914 302 HH11 ARG 46 1HH1 ARG 46 5.178 3.001 8.411 303 HH12 ARG 46 2HH1 ARG 46 4.562 3.163 10.021 304 HH21 ARG 46 1HH2 ARG 46 1.288 3.682 9.007 305 HH22 ARG 46 2HH2 ARG 46 2.362 3.547 10.359 306 H ILE 47 H ILE 47 8.008 6.524 7.376 307 HA ILE 47 HA ILE 47 10.799 6.438 6.337 308 HB ILE 47 HB ILE 47 10.326 7.947 8.815 309 HG12 ILE 47 2HG1 ILE 47 8.137 8.341 7.728 310 HG13 ILE 47 1HG1 ILE 47 9.123 9.803 7.704 311 HG21 ILE 47 1HG2 ILE 47 11.787 8.145 6.247 312 HG22 ILE 47 2HG2 ILE 47 12.317 8.543 7.881 313 HG23 ILE 47 3HG2 ILE 47 11.314 9.678 6.977 314 HD11 ILE 47 3HD1 ILE 47 7.898 8.766 5.499 315 HD12 ILE 47 1HD1 ILE 47 9.489 8.015 5.378 316 HD13 ILE 47 2HD1 ILE 47 9.346 9.772 5.437 317 H ALA 48 H ALA 48 12.464 5.554 7.620 318 HA ALA 48 HA ALA 48 11.820 3.319 9.244 319 HB1 ALA 48 HB1 ALA 48 14.372 4.808 9.734 320 HB2 ALA 48 HB2 ALA 48 14.098 4.137 8.126 321 HB3 ALA 48 HB3 ALA 48 14.108 3.076 9.534 322 H ARG 49 H ARG 49 13.351 3.684 11.615 323 HA ARG 49 HA ARG 49 12.091 5.988 12.974 324 HB2 ARG 49 HB2 ARG 49 11.712 3.143 13.955 325 HB3 ARG 49 HB1 ARG 49 11.170 4.603 14.776 326 HG2 ARG 49 HG2 ARG 49 10.308 3.932 11.957 327 HG3 ARG 49 HG1 ARG 49 9.408 3.393 13.375 328 HD2 ARG 49 HD2 ARG 49 9.517 5.908 14.087 329 HD3 ARG 49 HD1 ARG 49 9.862 6.197 12.381 330 HE ARG 49 HE ARG 49 7.487 4.538 12.931 331 HH11 ARG 49 1HH2 ARG 49 7.949 6.131 10.413 332 HH12 ARG 49 2HH2 ARG 49 6.876 7.471 10.639 333 HH21 ARG 49 1HH1 ARG 49 6.476 6.923 14.038 334 HH22 ARG 49 2HH1 ARG 49 6.042 7.919 12.688 335 H GLY 50 H GLY 50 14.881 4.387 12.400 336 HA2 GLY 50 HA2 GLY 50 16.589 5.632 14.008 337 HA3 GLY 50 HA1 GLY 50 15.848 4.582 15.198 338 H ASP 51 H ASP 51 18.090 4.785 12.594 339 HA ASP 51 HA ASP 51 19.978 3.428 12.247 340 HB2 ASP 51 HB2 ASP 51 19.043 2.480 14.674 341 HB3 ASP 51 HB1 ASP 51 19.107 1.038 13.661 342 H TRP 52 H TRP 52 16.745 2.169 11.813 343 HA TRP 52 HA TRP 52 17.853 0.229 9.844 344 HB2 TRP 52 HB2 TRP 52 15.266 -0.395 9.786 345 HB3 TRP 52 HB1 TRP 52 16.335 -1.008 11.047 346 HD1 TRP 52 HD TRP 52 13.525 1.449 10.424 347 HE1 TRP 52 HE1 TRP 52 12.635 2.300 12.677 348 HE3 TRP 52 HE3 TRP 52 17.047 -0.507 13.547 349 HZ2 TRP 52 HZ2 TRP 52 13.334 2.192 15.449 350 HZ3 TRP 52 HZ3 TRP 52 16.923 -0.097 15.986 351 HH2 TRP 52 HH TRP 52 15.071 1.239 16.943 352 H ASN 53 H ASN 53 16.710 0.045 7.741 353 HA ASN 53 HA ASN 53 16.643 2.547 6.375 354 HB2 ASN 53 HB2 ASN 53 15.748 -0.241 5.663 355 HB3 ASN 53 HB1 ASN 53 15.477 1.106 4.557 356 HD21 ASN 53 1HD2 ASN 53 17.232 -0.985 3.798 357 HD22 ASN 53 2HD2 ASN 53 18.823 -0.393 3.779 358 H ASP 54 H ASP 54 14.608 3.099 4.958 359 HA ASP 54 HA ASP 54 12.440 3.685 6.835 360 HB2 ASP 54 HB2 ASP 54 12.528 4.270 3.866 361 HB3 ASP 54 HB1 ASP 54 11.560 5.087 5.094 362 H ASP 55 H ASP 55 10.528 3.543 4.382 363 HA ASP 55 HA ASP 55 10.071 0.588 4.481 364 HB2 ASP 55 HB2 ASP 55 8.030 2.815 4.741 365 HB3 ASP 55 HB1 ASP 55 7.614 1.116 4.514 366 H ARG 56 H ARG 56 9.940 -0.275 2.461 367 HA ARG 56 HA ARG 56 9.663 1.572 0.144 368 HB2 ARG 56 HB2 ARG 56 10.430 -1.361 0.304 369 HB3 ARG 56 HB1 ARG 56 10.388 -0.404 -1.177 370 HG2 ARG 56 HG2 ARG 56 12.005 0.494 1.200 371 HG3 ARG 56 HG1 ARG 56 12.665 -0.653 0.035 372 HD2 ARG 56 HD2 ARG 56 11.740 1.168 -1.697 373 HD3 ARG 56 HD1 ARG 56 12.002 2.234 -0.316 374 HE ARG 56 HE ARG 56 14.096 0.835 -1.842 375 HH11 ARG 56 1HH2 ARG 56 13.709 1.228 1.416 376 HH12 ARG 56 2HH2 ARG 56 15.058 2.286 1.653 377 HH21 ARG 56 1HH1 ARG 56 15.609 2.779 -1.734 378 HH22 ARG 56 2HH1 ARG 56 16.135 3.165 -0.130 379 H CYS 57 H CYS 57 7.999 1.442 -1.285 380 HA CYS 57 HA CYS 57 5.521 0.225 -0.402 381 HB2 CYS 57 HB2 CYS 57 6.334 2.190 -2.266 382 HB3 CYS 57 HB1 CYS 57 5.485 0.955 -3.184 383 H THR 58 H THR 58 4.424 -1.510 -1.420 384 HA THR 58 HA THR 58 6.152 -3.590 -2.506 385 HB THR 58 HB THR 58 3.400 -4.248 -2.846 386 HG1 THR 58 HG1 THR 58 3.759 -3.499 -0.205 387 HG21 THR 58 3HG2 THR 58 4.264 -6.110 -1.933 388 HG22 THR 58 1HG2 THR 58 4.475 -5.272 -0.396 389 HG23 THR 58 2HG2 THR 58 5.761 -5.238 -1.603 390 H GLY 59 H GLY 59 3.984 -1.173 -3.790 391 HA2 GLY 59 HA2 GLY 59 3.919 -0.455 -6.061 392 HA3 GLY 59 HA1 GLY 59 4.833 -1.891 -6.517 393 H GLN 60 H GLN 60 2.794 -3.490 -4.824 394 HA GLN 60 HA GLN 60 0.600 -3.429 -6.859 395 HB2 GLN 60 HB2 GLN 60 1.999 -5.779 -5.572 396 HB3 GLN 60 HB1 GLN 60 0.422 -5.937 -6.349 397 HG2 GLN 60 HG2 GLN 60 1.321 -5.838 -8.421 398 HG3 GLN 60 HG1 GLN 60 2.337 -4.460 -7.996 399 HE21 GLN 60 1HE2 GLN 60 3.691 -6.184 -9.534 400 HE22 GLN 60 2HE2 GLN 60 4.725 -7.187 -8.637 401 H SER 61 H SER 61 1.310 -2.864 -3.674 402 HA SER 61 HA SER 61 -1.431 -3.704 -2.810 403 HB2 SER 61 HB2 SER 61 1.158 -4.037 -1.569 404 HB3 SER 61 HB1 SER 61 0.115 -3.066 -0.533 405 HG SER 61 HG SER 61 0.069 -5.598 -0.647 406 H ALA 62 H ALA 62 -2.803 -2.088 -2.161 407 HA ALA 62 HA ALA 62 -2.158 0.657 -2.635 408 HB1 ALA 62 HB1 ALA 62 -4.289 0.411 -0.709 409 HB2 ALA 62 HB2 ALA 62 -4.470 -0.831 -1.948 410 HB3 ALA 62 HB3 ALA 62 -4.388 0.869 -2.409 411 H ASP 63 H ASP 63 -2.354 -1.235 0.378 412 HA ASP 63 HA ASP 63 -1.484 1.056 1.985 413 HB2 ASP 63 HB2 ASP 63 -1.469 -0.591 3.848 414 HB3 ASP 63 HB1 ASP 63 -2.998 -0.607 2.968 415 H CYS 64 H CYS 64 0.513 0.798 3.397 416 HA CYS 64 HA CYS 64 2.705 -0.353 1.738 417 HB2 CYS 64 HB2 CYS 64 3.182 1.920 2.046 418 HB3 CYS 64 HB1 CYS 64 2.566 1.939 3.691 419 HA PRO 65 HA PRO 65 3.326 -3.426 4.776 420 HB2 PRO 65 HB2 PRO 65 5.737 -4.267 3.801 421 HB3 PRO 65 HB1 PRO 65 4.198 -4.701 3.063 422 HG2 PRO 65 HG2 PRO 65 6.274 -2.782 2.136 423 HG3 PRO 65 HG1 PRO 65 5.061 -3.664 1.193 424 HD2 PRO 65 HD2 PRO 65 4.919 -0.947 1.951 425 HD3 PRO 65 HD1 PRO 65 3.590 -1.926 1.298 426 H ARG 66 H ARG 66 5.683 -4.196 5.895 427 HA ARG 66 HA ARG 66 6.906 -1.688 6.970 428 HB2 ARG 66 HB2 ARG 66 5.223 -3.002 8.492 429 HB3 ARG 66 HB1 ARG 66 6.556 -4.142 8.675 430 HG2 ARG 66 HG2 ARG 66 6.659 -2.498 10.476 431 HG3 ARG 66 HG1 ARG 66 8.025 -2.252 9.387 432 HD2 ARG 66 HD2 ARG 66 7.362 -0.109 9.177 433 HD3 ARG 66 HD1 ARG 66 5.951 -0.703 8.303 434 HE ARG 66 HE ARG 66 5.922 0.391 10.965 435 HH11 ARG 66 1HH1 ARG 66 3.743 -0.232 8.745 436 HH12 ARG 66 2HH1 ARG 66 2.638 -1.157 9.706 437 HH21 ARG 66 1HH2 ARG 66 4.873 -1.611 12.317 438 HH22 ARG 66 2HH2 ARG 66 3.277 -1.937 11.728 439 H ASN 67 H ASN 67 8.893 -1.796 5.959 440 HA ASN 67 HA ASN 67 10.416 -4.355 6.268 441 HB2 ASN 67 HB2 ASN 67 9.826 -2.963 3.924 442 HB3 ASN 67 HB1 ASN 67 11.485 -2.490 4.291 443 HD21 ASN 67 1HD2 ASN 67 9.513 -5.046 3.059 444 HD22 ASN 67 2HD2 ASN 67 10.732 -6.221 2.937 445 H GLY 68 H GLY 68 10.279 -0.988 6.981 446 HA2 GLY 68 HA2 GLY 68 13.154 -0.788 7.575 447 HA3 GLY 68 HA1 GLY 68 11.964 0.493 7.793 448 H LEU 69 H LEU 69 10.197 -1.538 9.218 449 HA LEU 69 HA LEU 69 11.563 -1.294 11.857 450 HB2 LEU 69 HB2 LEU 69 8.829 -0.934 10.945 451 HB3 LEU 69 HB1 LEU 69 8.901 -2.102 12.264 452 HG LEU 69 HG LEU 69 8.640 0.199 13.127 453 HD11 LEU 69 1HD1 LEU 69 9.752 -1.016 14.741 454 HD12 LEU 69 2HD1 LEU 69 10.999 0.181 14.386 455 HD13 LEU 69 3HD1 LEU 69 11.087 -1.425 13.663 456 HD21 LEU 69 3HD2 LEU 69 11.008 0.618 11.348 457 HD22 LEU 69 1HD2 LEU 69 10.924 1.550 12.843 458 HD23 LEU 69 2HD2 LEU 69 9.631 1.678 11.650 459 H TYR 70 H TYR 70 10.436 -3.189 13.371 460 HA TYR 70 HA TYR 70 11.058 -5.735 11.926 461 HB2 TYR 70 HB2 TYR 70 11.351 -6.367 14.577 462 HB3 TYR 70 HB1 TYR 70 12.676 -5.887 13.519 463 HD1 TYR 70 HD1 TYR 70 10.051 -4.440 15.772 464 HD2 TYR 70 HD2 TYR 70 13.952 -3.988 14.027 465 HE1 TYR 70 HE1 TYR 70 10.442 -2.422 17.161 466 HE2 TYR 70 HE2 TYR 70 14.340 -1.971 15.417 467 HH TYR 70 HH TYR 70 13.340 -1.140 17.768 468 H GLY 71 H GLY 71 9.890 -7.664 12.833 469 HA2 GLY 71 HA2 GLY 71 7.853 -8.728 13.307 470 HA3 GLY 71 HA1 GLY 71 7.658 -7.503 14.559 Start of MODEL 12 1 H GLY 1 HT1 GLY 1 -11.019 -4.490 1.523 2 HA2 GLY 1 HA1 GLY 1 -10.787 -6.734 3.414 3 HA3 GLY 1 HA2 GLY 1 -11.925 -5.387 3.423 4 H LYS 2 H LYS 2 -13.944 -6.122 2.975 5 HA LYS 2 HA LYS 2 -14.241 -8.430 1.124 6 HB2 LYS 2 HB2 LYS 2 -16.006 -7.230 3.245 7 HB3 LYS 2 HB1 LYS 2 -16.667 -8.315 2.021 8 HG2 LYS 2 HG2 LYS 2 -14.185 -9.171 3.449 9 HG3 LYS 2 HG1 LYS 2 -15.712 -9.251 4.329 10 HD2 LYS 2 HD2 LYS 2 -15.825 -10.303 1.573 11 HD3 LYS 2 HD1 LYS 2 -14.799 -11.225 2.671 12 HE2 LYS 2 HE2 LYS 2 -16.641 -12.165 3.554 13 HE3 LYS 2 HE1 LYS 2 -17.155 -10.572 4.110 14 HZ1 LYS 2 HZ1 LYS 2 -17.591 -11.270 1.299 15 HZ2 LYS 2 HZ2 LYS 2 -18.512 -10.277 2.324 16 HZ3 LYS 2 HZ3 LYS 2 -18.612 -11.968 2.460 17 H GLU 3 H GLU 3 -16.966 -6.386 1.553 18 HA GLU 3 HA GLU 3 -16.912 -5.728 -1.316 19 HB2 GLU 3 HB2 GLU 3 -18.956 -6.444 0.263 20 HB3 GLU 3 HB1 GLU 3 -19.058 -4.696 0.480 21 HG2 GLU 3 HG2 GLU 3 -19.177 -4.371 -1.943 22 HG3 GLU 3 HG1 GLU 3 -18.992 -6.106 -2.205 23 H CYS 4 H CYS 4 -15.240 -4.389 0.997 24 HA CYS 4 HA CYS 4 -15.840 -1.622 0.056 25 HB2 CYS 4 HB2 CYS 4 -16.503 -1.993 2.457 26 HB3 CYS 4 HB1 CYS 4 -14.810 -2.334 2.814 27 H ASP 5 H ASP 5 -14.101 -0.590 -0.822 28 HA ASP 5 HA ASP 5 -11.455 -1.948 -0.578 29 HB2 ASP 5 HB2 ASP 5 -12.812 -1.251 -2.846 30 HB3 ASP 5 HB1 ASP 5 -11.798 0.173 -2.614 31 H CYS 6 H CYS 6 -13.180 0.957 0.163 32 HA CYS 6 HA CYS 6 -10.612 2.170 1.093 33 HB2 CYS 6 HB2 CYS 6 -11.256 4.294 0.338 34 HB3 CYS 6 HB1 CYS 6 -11.877 3.252 -0.936 35 H SER 7 H SER 7 -11.746 4.271 2.598 36 HA SER 7 HA SER 7 -13.525 2.833 4.515 37 HB2 SER 7 HB2 SER 7 -12.202 3.775 6.383 38 HB3 SER 7 HB1 SER 7 -11.219 2.727 5.364 39 HG SER 7 HG SER 7 -10.000 4.386 4.992 40 H SER 8 H SER 8 -12.476 5.868 3.080 41 HA SER 8 HA SER 8 -14.337 7.445 4.712 42 HB2 SER 8 HB2 SER 8 -12.073 7.985 3.039 43 HB3 SER 8 HB1 SER 8 -13.443 8.918 2.446 44 HG SER 8 HG SER 8 -12.621 8.785 5.163 45 HA PRO 9 HA PRO 9 -17.643 6.726 1.820 46 HB2 PRO 9 HB2 PRO 9 -19.470 8.331 3.100 47 HB3 PRO 9 HB1 PRO 9 -19.056 6.697 3.646 48 HG2 PRO 9 HG2 PRO 9 -18.264 9.323 4.814 49 HG3 PRO 9 HG1 PRO 9 -18.413 7.743 5.602 50 HD2 PRO 9 HD2 PRO 9 -15.994 8.982 4.791 51 HD3 PRO 9 HD1 PRO 9 -16.188 7.291 5.297 52 H GLU 10 H GLU 10 -16.183 9.768 2.598 53 HA GLU 10 HA GLU 10 -17.709 11.225 0.521 54 HB2 GLU 10 HB2 GLU 10 -16.358 13.179 1.269 55 HB3 GLU 10 HB1 GLU 10 -17.218 12.417 2.607 56 HG2 GLU 10 HG2 GLU 10 -14.577 11.240 2.133 57 HG3 GLU 10 HG1 GLU 10 -14.502 12.953 2.546 58 H ASN 11 H ASN 11 -15.416 9.023 0.300 59 HA ASN 11 HA ASN 11 -13.562 10.513 -1.463 60 HB2 ASN 11 HB2 ASN 11 -12.659 8.857 0.156 61 HB3 ASN 11 HB1 ASN 11 -13.583 7.589 -0.650 62 HD21 ASN 11 1HD2 ASN 11 -10.615 7.808 -0.446 63 HD22 ASN 11 2HD2 ASN 11 -10.043 7.858 -2.043 64 HA PRO 12 HA PRO 12 -16.026 9.203 -4.936 65 HB2 PRO 12 HB2 PRO 12 -14.391 10.302 -6.858 66 HB3 PRO 12 HB1 PRO 12 -15.548 11.245 -5.901 67 HG2 PRO 12 HG2 PRO 12 -12.577 11.108 -5.656 68 HG3 PRO 12 HG1 PRO 12 -13.681 12.423 -5.219 69 HD2 PRO 12 HD2 PRO 12 -12.499 10.595 -3.415 70 HD3 PRO 12 HD1 PRO 12 -13.862 11.676 -3.057 71 H CYS 13 H CYS 13 -12.517 8.722 -4.757 72 HA CYS 13 HA CYS 13 -12.115 6.905 -6.843 73 HB2 CYS 13 HB2 CYS 13 -10.800 7.564 -4.306 74 HB3 CYS 13 HB1 CYS 13 -10.555 5.886 -4.798 75 H CYS 14 H CYS 14 -13.853 6.451 -3.851 76 HA CYS 14 HA CYS 14 -14.320 3.615 -4.665 77 HB2 CYS 14 HB2 CYS 14 -14.342 2.953 -2.309 78 HB3 CYS 14 HB1 CYS 14 -12.798 3.704 -2.707 79 H ASP 15 H ASP 15 -16.408 3.457 -5.237 80 HA ASP 15 HA ASP 15 -18.450 5.317 -4.651 81 HB2 ASP 15 HB2 ASP 15 -18.316 3.138 -6.236 82 HB3 ASP 15 HB1 ASP 15 -19.221 2.451 -4.889 83 H ALA 16 H ALA 16 -19.373 5.787 -2.712 84 HA ALA 16 HA ALA 16 -18.841 4.237 -0.341 85 HB1 ALA 16 HB1 ALA 16 -19.280 6.410 0.263 86 HB2 ALA 16 HB2 ALA 16 -20.918 5.773 0.427 87 HB3 ALA 16 HB3 ALA 16 -20.451 6.643 -1.035 88 H ALA 17 H ALA 17 -21.596 4.450 -2.560 89 HA ALA 17 HA ALA 17 -23.537 3.034 -1.117 90 HB1 ALA 17 HB1 ALA 17 -24.173 2.107 -3.468 91 HB2 ALA 17 HB2 ALA 17 -22.860 3.131 -4.052 92 HB3 ALA 17 HB3 ALA 17 -24.234 3.852 -3.213 93 H THR 18 H THR 18 -20.753 1.782 -2.924 94 HA THR 18 HA THR 18 -21.409 -0.943 -1.892 95 HB THR 18 HB THR 18 -20.430 -1.855 -3.767 96 HG1 THR 18 HG1 THR 18 -18.910 0.337 -4.502 97 HG21 THR 18 3HG2 THR 18 -22.193 -0.035 -4.386 98 HG22 THR 18 1HG2 THR 18 -21.195 -0.718 -5.670 99 HG23 THR 18 2HG2 THR 18 -20.804 0.864 -4.997 100 H CYS 19 H CYS 19 -19.234 1.701 -1.622 101 HA CYS 19 HA CYS 19 -17.490 2.005 -0.059 102 HB2 CYS 19 HB2 CYS 19 -18.886 0.015 1.091 103 HB3 CYS 19 HB1 CYS 19 -17.426 -0.882 0.681 104 H LYS 20 H LYS 20 -17.415 0.525 -2.877 105 HA LYS 20 HA LYS 20 -14.552 -0.317 -2.600 106 HB2 LYS 20 HB2 LYS 20 -16.631 -1.302 -4.573 107 HB3 LYS 20 HB1 LYS 20 -14.934 -1.784 -4.557 108 HG2 LYS 20 HG2 LYS 20 -15.841 -2.156 -1.916 109 HG3 LYS 20 HG1 LYS 20 -17.124 -2.790 -2.949 110 HD2 LYS 20 HD2 LYS 20 -14.210 -3.489 -3.364 111 HD3 LYS 20 HD1 LYS 20 -15.280 -4.443 -2.336 112 HE2 LYS 20 HE2 LYS 20 -16.640 -3.951 -4.799 113 HE3 LYS 20 HE1 LYS 20 -15.022 -4.539 -5.182 114 HZ1 LYS 20 HZ1 LYS 20 -17.238 -5.952 -4.099 115 HZ2 LYS 20 HZ2 LYS 20 -15.886 -6.084 -3.079 116 HZ3 LYS 20 HZ3 LYS 20 -15.775 -6.556 -4.707 117 H LEU 21 H LEU 21 -13.602 -0.292 -5.049 118 HA LEU 21 HA LEU 21 -13.381 2.490 -5.735 119 HB2 LEU 21 HB2 LEU 21 -12.487 -0.061 -7.077 120 HB3 LEU 21 HB1 LEU 21 -12.203 1.522 -7.805 121 HG LEU 21 HG LEU 21 -11.477 1.243 -4.937 122 HD11 LEU 21 1HD1 LEU 21 -10.719 -0.858 -6.390 123 HD12 LEU 21 2HD1 LEU 21 -9.630 -0.113 -5.220 124 HD13 LEU 21 3HD1 LEU 21 -9.478 0.269 -6.935 125 HD21 LEU 21 3HD2 LEU 21 -10.282 3.093 -5.442 126 HD22 LEU 21 1HD2 LEU 21 -11.079 3.072 -7.014 127 HD23 LEU 21 2HD2 LEU 21 -9.509 2.294 -6.811 128 H ARG 22 H ARG 22 -14.787 3.677 -6.922 129 HA ARG 22 HA ARG 22 -17.000 2.393 -8.314 130 HB2 ARG 22 HB2 ARG 22 -17.787 4.381 -7.514 131 HB3 ARG 22 HB1 ARG 22 -16.210 5.155 -7.578 132 HG2 ARG 22 HG2 ARG 22 -16.434 5.421 -10.021 133 HG3 ARG 22 HG1 ARG 22 -18.005 4.621 -9.967 134 HD2 ARG 22 HD2 ARG 22 -17.586 6.957 -8.156 135 HD3 ARG 22 HD1 ARG 22 -17.787 7.286 -9.877 136 HE ARG 22 HE ARG 22 -19.864 5.545 -9.271 137 HH11 ARG 22 1HH1 ARG 22 -18.981 8.800 -8.963 138 HH12 ARG 22 2HH1 ARG 22 -20.393 9.267 -8.075 139 HH21 ARG 22 1HH2 ARG 22 -21.576 6.027 -7.737 140 HH22 ARG 22 2HH2 ARG 22 -21.862 7.698 -7.381 141 HA PRO 23 HA PRO 23 -14.741 4.067 -12.184 142 HB2 PRO 23 HB2 PRO 23 -12.233 5.133 -11.829 143 HB3 PRO 23 HB1 PRO 23 -13.724 6.090 -11.776 144 HG2 PRO 23 HG2 PRO 23 -11.979 5.203 -9.524 145 HG3 PRO 23 HG1 PRO 23 -13.040 6.617 -9.631 146 HD2 PRO 23 HD2 PRO 23 -13.624 4.223 -8.257 147 HD3 PRO 23 HD1 PRO 23 -14.794 5.489 -8.685 148 H GLY 24 H GLY 24 -12.067 3.712 -13.036 149 HA2 GLY 24 HA2 GLY 24 -11.739 0.812 -12.496 150 HA3 GLY 24 HA1 GLY 24 -11.053 1.682 -13.865 151 H ALA 25 H ALA 25 -10.832 2.983 -10.619 152 HA ALA 25 HA ALA 25 -7.926 3.040 -10.807 153 HB1 ALA 25 HB1 ALA 25 -8.138 3.916 -8.415 154 HB2 ALA 25 HB2 ALA 25 -9.886 3.812 -8.630 155 HB3 ALA 25 HB3 ALA 25 -8.931 4.881 -9.658 156 H GLN 26 H GLN 26 -6.467 1.902 -9.364 157 HA GLN 26 HA GLN 26 -7.397 -0.803 -8.741 158 HB2 GLN 26 HB2 GLN 26 -4.860 0.521 -9.173 159 HB3 GLN 26 HB1 GLN 26 -4.805 -0.448 -7.699 160 HG2 GLN 26 HG2 GLN 26 -4.284 -2.084 -9.246 161 HG3 GLN 26 HG1 GLN 26 -6.042 -2.226 -9.252 162 HE21 GLN 26 1HE2 GLN 26 -3.668 -0.005 -10.844 163 HE22 GLN 26 2HE2 GLN 26 -4.352 -0.153 -12.389 164 H CYS 27 H CYS 27 -6.408 2.078 -6.920 165 HA CYS 27 HA CYS 27 -7.719 0.920 -4.532 166 HB2 CYS 27 HB2 CYS 27 -5.617 1.938 -3.245 167 HB3 CYS 27 HB1 CYS 27 -5.614 0.278 -3.837 168 H GLY 28 H GLY 28 -8.490 2.526 -3.085 169 HA2 GLY 28 HA2 GLY 28 -8.609 5.233 -4.291 170 HA3 GLY 28 HA1 GLY 28 -9.710 4.614 -3.067 171 H GLU 29 H GLU 29 -7.418 3.542 -1.468 172 HA GLU 29 HA GLU 29 -6.016 6.030 -0.702 173 HB2 GLU 29 HB2 GLU 29 -6.817 6.042 1.527 174 HB3 GLU 29 HB1 GLU 29 -8.248 5.855 0.527 175 HG2 GLU 29 HG2 GLU 29 -8.695 4.099 1.904 176 HG3 GLU 29 HG1 GLU 29 -7.534 3.248 0.887 177 H GLY 30 H GLY 30 -4.093 5.638 0.463 178 HA2 GLY 30 HA2 GLY 30 -3.142 3.509 1.849 179 HA3 GLY 30 HA1 GLY 30 -3.052 2.899 0.196 180 H LEU 31 H LEU 31 -0.716 3.265 1.720 181 HA LEU 31 HA LEU 31 0.472 5.846 0.950 182 HB2 LEU 31 HB2 LEU 31 1.126 3.673 2.777 183 HB3 LEU 31 HB1 LEU 31 2.523 4.173 1.830 184 HG LEU 31 HG LEU 31 2.226 6.483 2.505 185 HD11 LEU 31 1HD1 LEU 31 -0.224 5.475 3.988 186 HD12 LEU 31 2HD1 LEU 31 -0.244 6.484 2.542 187 HD13 LEU 31 3HD1 LEU 31 0.406 7.121 4.051 188 HD21 LEU 31 3HD2 LEU 31 3.509 5.179 4.068 189 HD22 LEU 31 1HD2 LEU 31 2.049 4.484 4.774 190 HD23 LEU 31 2HD2 LEU 31 2.422 6.191 5.020 191 H CYS 32 H CYS 32 -0.339 3.409 -0.901 192 HA CYS 32 HA CYS 32 2.093 3.695 -2.586 193 HB2 CYS 32 HB2 CYS 32 0.697 1.037 -2.294 194 HB3 CYS 32 HB1 CYS 32 2.290 1.369 -2.974 195 H CYS 33 H CYS 33 -0.708 4.788 -2.601 196 HA CYS 33 HA CYS 33 -1.517 3.679 -5.261 197 HB2 CYS 33 HB2 CYS 33 -3.087 3.424 -3.167 198 HB3 CYS 33 HB1 CYS 33 -3.459 5.119 -3.479 199 H GLU 34 H GLU 34 -0.845 5.111 -6.768 200 HA GLU 34 HA GLU 34 -1.102 8.028 -6.175 201 HB2 GLU 34 HB2 GLU 34 1.170 7.454 -6.750 202 HB3 GLU 34 HB1 GLU 34 0.637 6.509 -8.140 203 HG2 GLU 34 HG2 GLU 34 1.388 8.599 -9.023 204 HG3 GLU 34 HG1 GLU 34 -0.375 8.668 -9.054 205 H GLN 35 H GLN 35 -2.727 9.076 -7.237 206 HA GLN 35 HA GLN 35 -4.345 9.547 -8.880 207 HB2 GLN 35 HB2 GLN 35 -2.214 8.647 -10.330 208 HB3 GLN 35 HB1 GLN 35 -3.427 7.435 -10.742 209 HG2 GLN 35 HG2 GLN 35 -4.889 9.750 -10.915 210 HG3 GLN 35 HG1 GLN 35 -3.303 10.288 -11.471 211 HE21 GLN 35 1HE2 GLN 35 -6.140 9.103 -12.670 212 HE22 GLN 35 2HE2 GLN 35 -5.560 8.276 -14.035 213 H CYS 36 H CYS 36 -4.366 7.248 -6.886 214 HA CYS 36 HA CYS 36 -6.080 5.783 -6.211 215 HB2 CYS 36 HB2 CYS 36 -7.388 7.233 -8.122 216 HB3 CYS 36 HB1 CYS 36 -7.422 5.624 -8.830 217 H LYS 37 H LYS 37 -3.849 5.394 -8.641 218 HA LYS 37 HA LYS 37 -4.544 2.532 -9.076 219 HB2 LYS 37 HB2 LYS 37 -3.066 4.578 -10.603 220 HB3 LYS 37 HB1 LYS 37 -2.296 2.990 -10.577 221 HG2 LYS 37 HG2 LYS 37 -4.364 1.942 -11.361 222 HG3 LYS 37 HG1 LYS 37 -5.191 3.498 -11.317 223 HD2 LYS 37 HD2 LYS 37 -3.011 4.109 -12.847 224 HD3 LYS 37 HD1 LYS 37 -3.297 2.432 -13.313 225 HE2 LYS 37 HE2 LYS 37 -5.809 3.841 -13.149 226 HE3 LYS 37 HE1 LYS 37 -4.701 4.712 -14.208 227 HZ1 LYS 37 HZ1 LYS 37 -6.162 2.508 -14.874 228 HZ2 LYS 37 HZ2 LYS 37 -4.601 1.886 -14.616 229 HZ3 LYS 37 HZ3 LYS 37 -4.846 3.133 -15.744 230 H PHE 38 H PHE 38 -2.518 1.052 -9.058 231 HA PHE 38 HA PHE 38 -1.258 1.350 -6.444 232 HB2 PHE 38 HB2 PHE 38 -1.078 -0.701 -8.649 233 HB3 PHE 38 HB1 PHE 38 -0.004 -0.762 -7.254 234 HD1 PHE 38 HD1 PHE 38 -1.716 0.157 -5.066 235 HD2 PHE 38 HD2 PHE 38 -2.626 -2.452 -8.354 236 HE1 PHE 38 HE1 PHE 38 -3.503 -0.913 -3.722 237 HE2 PHE 38 HE2 PHE 38 -4.413 -3.523 -7.009 238 HZ PHE 38 HZ PHE 38 -4.853 -2.753 -4.693 239 H SER 39 H SER 39 0.556 2.545 -6.123 240 HA SER 39 HA SER 39 2.109 3.672 -8.239 241 HB2 SER 39 HB2 SER 39 3.380 3.163 -5.573 242 HB3 SER 39 HB1 SER 39 3.416 4.614 -6.571 243 HG SER 39 HG SER 39 2.064 4.662 -4.611 244 H ARG 40 H ARG 40 4.797 2.979 -7.328 245 HA ARG 40 HA ARG 40 4.912 0.219 -8.468 246 HB2 ARG 40 HB2 ARG 40 6.653 2.632 -8.717 247 HB3 ARG 40 HB1 ARG 40 7.450 1.058 -8.721 248 HG2 ARG 40 HG2 ARG 40 5.281 0.664 -10.402 249 HG3 ARG 40 HG1 ARG 40 5.794 2.307 -10.788 250 HD2 ARG 40 HD2 ARG 40 7.165 1.060 -12.201 251 HD3 ARG 40 HD1 ARG 40 8.203 1.248 -10.787 252 HE ARG 40 HE ARG 40 6.819 -1.106 -10.297 253 HH11 ARG 40 1HH1 ARG 40 7.356 -0.556 -13.469 254 HH12 ARG 40 2HH1 ARG 40 8.568 -1.772 -13.702 255 HH21 ARG 40 1HH2 ARG 40 8.991 -2.376 -10.313 256 HH22 ARG 40 2HH2 ARG 40 9.493 -2.802 -11.915 257 H ALA 41 H ALA 41 6.695 -1.166 -7.578 258 HA ALA 41 HA ALA 41 6.640 -1.165 -4.683 259 HB1 ALA 41 HB1 ALA 41 7.703 -3.218 -4.838 260 HB2 ALA 41 HB2 ALA 41 8.717 -2.708 -6.188 261 HB3 ALA 41 HB3 ALA 41 7.025 -3.121 -6.463 262 H GLY 42 H GLY 42 8.830 -1.318 -3.457 263 HA2 GLY 42 HA2 GLY 42 10.866 -0.294 -2.849 264 HA3 GLY 42 HA1 GLY 42 11.071 0.161 -4.540 265 H LYS 43 H LYS 43 8.092 1.007 -2.943 266 HA LYS 43 HA LYS 43 8.763 3.869 -3.317 267 HB2 LYS 43 HB2 LYS 43 6.477 2.855 -3.841 268 HB3 LYS 43 HB1 LYS 43 6.247 2.750 -2.098 269 HG2 LYS 43 HG2 LYS 43 6.949 5.328 -3.504 270 HG3 LYS 43 HG1 LYS 43 5.297 4.830 -3.150 271 HD2 LYS 43 HD2 LYS 43 6.121 4.544 -0.714 272 HD3 LYS 43 HD1 LYS 43 7.487 5.541 -1.219 273 HE2 LYS 43 HE2 LYS 43 5.869 7.067 -0.357 274 HE3 LYS 43 HE1 LYS 43 5.769 7.205 -2.111 275 HZ1 LYS 43 HZ1 LYS 43 3.668 6.559 -2.047 276 HZ2 LYS 43 HZ2 LYS 43 3.729 6.561 -0.350 277 HZ3 LYS 43 HZ3 LYS 43 4.071 5.138 -1.212 278 H ILE 44 H ILE 44 9.780 4.952 -1.721 279 HA ILE 44 HA ILE 44 10.054 3.975 0.959 280 HB ILE 44 HB ILE 44 11.502 5.664 -0.369 281 HG12 ILE 44 2HG1 ILE 44 12.202 5.181 1.830 282 HG13 ILE 44 1HG1 ILE 44 12.029 6.935 1.820 283 HG21 ILE 44 1HG2 ILE 44 10.854 7.836 -0.547 284 HG22 ILE 44 2HG2 ILE 44 9.956 7.806 0.971 285 HG23 ILE 44 3HG2 ILE 44 9.247 7.114 -0.489 286 HD11 ILE 44 3HD1 ILE 44 9.814 6.744 2.850 287 HD12 ILE 44 1HD1 ILE 44 11.016 5.921 3.839 288 HD13 ILE 44 2HD1 ILE 44 9.932 4.985 2.813 289 H CYS 45 H CYS 45 7.540 3.585 0.887 290 HA CYS 45 HA CYS 45 5.567 5.540 1.202 291 HB2 CYS 45 HB2 CYS 45 4.571 3.820 2.892 292 HB3 CYS 45 HB1 CYS 45 4.804 3.316 1.220 293 H ARG 46 H ARG 46 8.100 4.615 3.406 294 HA ARG 46 HA ARG 46 7.523 6.942 5.090 295 HB2 ARG 46 HB2 ARG 46 6.173 4.647 5.767 296 HB3 ARG 46 HB1 ARG 46 7.629 4.513 6.752 297 HG2 ARG 46 HG2 ARG 46 6.420 7.206 6.706 298 HG3 ARG 46 HG1 ARG 46 5.425 5.964 7.468 299 HD2 ARG 46 HD2 ARG 46 7.998 5.459 8.427 300 HD3 ARG 46 HD1 ARG 46 7.867 7.218 8.441 301 HE ARG 46 HE ARG 46 5.639 6.766 9.705 302 HH11 ARG 46 1HH2 ARG 46 8.583 6.241 10.891 303 HH12 ARG 46 2HH2 ARG 46 8.188 4.935 11.957 304 HH21 ARG 46 1HH1 ARG 46 5.043 4.422 10.589 305 HH22 ARG 46 2HH1 ARG 46 6.182 3.905 11.787 306 H ILE 47 H ILE 47 9.355 7.600 6.196 307 HA ILE 47 HA ILE 47 11.874 6.343 5.494 308 HB ILE 47 HB ILE 47 11.467 8.832 5.920 309 HG12 ILE 47 2HG1 ILE 47 13.695 8.300 7.705 310 HG13 ILE 47 1HG1 ILE 47 13.721 7.201 6.324 311 HG21 ILE 47 1HG2 ILE 47 12.101 8.586 8.752 312 HG22 ILE 47 2HG2 ILE 47 10.542 7.856 8.372 313 HG23 ILE 47 3HG2 ILE 47 10.846 9.546 7.968 314 HD11 ILE 47 3HD1 ILE 47 13.503 10.222 6.169 315 HD12 ILE 47 1HD1 ILE 47 13.514 9.125 4.788 316 HD13 ILE 47 2HD1 ILE 47 14.946 9.276 5.808 317 H ALA 48 H ALA 48 13.284 5.195 6.888 318 HA ALA 48 HA ALA 48 11.960 3.668 8.992 319 HB1 ALA 48 HB1 ALA 48 14.303 3.393 7.377 320 HB2 ALA 48 HB2 ALA 48 13.575 2.197 8.450 321 HB3 ALA 48 HB3 ALA 48 14.795 3.309 9.069 322 H ARG 49 H ARG 49 12.255 3.870 11.207 323 HA ARG 49 HA ARG 49 13.341 6.431 12.149 324 HB2 ARG 49 HB2 ARG 49 12.080 4.092 13.615 325 HB3 ARG 49 HB1 ARG 49 12.562 5.605 14.383 326 HG2 ARG 49 HG2 ARG 49 11.048 6.378 12.150 327 HG3 ARG 49 HG1 ARG 49 10.169 5.018 12.851 328 HD2 ARG 49 HD2 ARG 49 10.789 6.354 15.113 329 HD3 ARG 49 HD1 ARG 49 10.711 7.710 13.987 330 HE ARG 49 HE ARG 49 8.441 5.782 14.274 331 HH11 ARG 49 1HH1 ARG 49 8.909 8.433 15.917 332 HH12 ARG 49 2HH1 ARG 49 7.777 9.466 15.109 333 HH21 ARG 49 1HH2 ARG 49 7.349 7.326 12.413 334 HH22 ARG 49 2HH2 ARG 49 6.894 8.838 13.124 335 H GLY 50 H GLY 50 15.540 6.542 12.356 336 HA2 GLY 50 HA2 GLY 50 17.326 5.746 14.015 337 HA3 GLY 50 HA1 GLY 50 16.946 4.129 13.429 338 H ASP 51 H ASP 51 17.943 3.423 11.579 339 HA ASP 51 HA ASP 51 18.943 5.155 9.512 340 HB2 ASP 51 HB2 ASP 51 21.349 4.894 9.913 341 HB3 ASP 51 HB1 ASP 51 20.592 5.701 11.286 342 H TRP 52 H TRP 52 17.390 2.946 9.312 343 HA TRP 52 HA TRP 52 19.253 0.945 8.113 344 HB2 TRP 52 HB2 TRP 52 17.113 -0.603 8.809 345 HB3 TRP 52 HB1 TRP 52 18.571 -0.447 9.786 346 HD1 TRP 52 HD TRP 52 15.253 1.520 9.368 347 HE1 TRP 52 HE1 TRP 52 14.467 2.264 11.707 348 HE3 TRP 52 HE3 TRP 52 19.076 -0.313 12.200 349 HZ2 TRP 52 HZ2 TRP 52 15.351 2.102 14.428 350 HZ3 TRP 52 HZ3 TRP 52 19.085 0.004 14.659 351 HH2 TRP 52 HH TRP 52 17.229 1.206 15.774 352 H ASN 53 H ASN 53 17.373 -0.714 6.952 353 HA ASN 53 HA ASN 53 16.681 0.595 4.568 354 HB2 ASN 53 HB2 ASN 53 15.811 -1.912 5.921 355 HB3 ASN 53 HB1 ASN 53 14.783 -1.315 4.618 356 HD21 ASN 53 1HD2 ASN 53 15.480 -3.167 3.262 357 HD22 ASN 53 2HD2 ASN 53 17.013 -3.163 2.533 358 H ASP 54 H ASP 54 14.847 1.713 3.865 359 HA ASP 54 HA ASP 54 13.096 2.756 6.004 360 HB2 ASP 54 HB2 ASP 54 12.691 3.522 3.147 361 HB3 ASP 54 HB1 ASP 54 12.649 4.527 4.596 362 H ASP 55 H ASP 55 10.710 3.173 4.717 363 HA ASP 55 HA ASP 55 9.706 0.397 4.454 364 HB2 ASP 55 HB2 ASP 55 8.151 3.000 4.559 365 HB3 ASP 55 HB1 ASP 55 7.495 1.372 4.738 366 H ARG 56 H ARG 56 9.667 -0.420 2.417 367 HA ARG 56 HA ARG 56 9.289 1.459 0.127 368 HB2 ARG 56 HB2 ARG 56 10.464 -1.318 0.341 369 HB3 ARG 56 HB1 ARG 56 10.117 -0.547 -1.204 370 HG2 ARG 56 HG2 ARG 56 11.826 0.747 0.932 371 HG3 ARG 56 HG1 ARG 56 12.497 -0.247 -0.361 372 HD2 ARG 56 HD2 ARG 56 11.896 1.279 -2.027 373 HD3 ARG 56 HD1 ARG 56 10.641 2.019 -1.035 374 HE ARG 56 HE ARG 56 12.284 3.461 -0.164 375 HH11 ARG 56 1HH1 ARG 56 13.846 2.563 -2.707 376 HH12 ARG 56 2HH1 ARG 56 15.402 2.260 -2.008 377 HH21 ARG 56 1HH2 ARG 56 14.225 2.228 1.253 378 HH22 ARG 56 2HH2 ARG 56 15.616 2.071 0.234 379 H CYS 57 H CYS 57 7.421 1.266 -1.152 380 HA CYS 57 HA CYS 57 5.278 -0.458 -0.214 381 HB2 CYS 57 HB2 CYS 57 5.567 1.272 -2.668 382 HB3 CYS 57 HB1 CYS 57 4.166 0.247 -2.412 383 H THR 58 H THR 58 4.301 -2.174 -1.447 384 HA THR 58 HA THR 58 6.243 -3.973 -2.630 385 HB THR 58 HB THR 58 4.610 -5.576 -2.476 386 HG1 THR 58 HG1 THR 58 2.894 -5.324 -3.623 387 HG21 THR 58 3HG2 THR 58 2.791 -3.883 -0.923 388 HG22 THR 58 1HG2 THR 58 4.478 -3.725 -0.440 389 HG23 THR 58 2HG2 THR 58 3.704 -5.307 -0.425 390 H GLY 59 H GLY 59 4.025 -1.587 -3.835 391 HA2 GLY 59 HA2 GLY 59 4.181 -0.662 -6.051 392 HA3 GLY 59 HA1 GLY 59 4.990 -2.136 -6.584 393 H GLN 60 H GLN 60 2.864 -3.752 -5.127 394 HA GLN 60 HA GLN 60 0.738 -3.410 -7.204 395 HB2 GLN 60 HB2 GLN 60 1.471 -5.933 -5.689 396 HB3 GLN 60 HB1 GLN 60 0.333 -5.800 -7.030 397 HG2 GLN 60 HG2 GLN 60 3.149 -4.851 -7.426 398 HG3 GLN 60 HG1 GLN 60 2.820 -6.583 -7.469 399 HE21 GLN 60 1HE2 GLN 60 2.441 -3.579 -9.222 400 HE22 GLN 60 2HE2 GLN 60 1.660 -4.239 -10.577 401 H SER 61 H SER 61 1.420 -3.295 -3.855 402 HA SER 61 HA SER 61 -1.475 -3.620 -3.192 403 HB2 SER 61 HB2 SER 61 -0.033 -5.037 -1.848 404 HB3 SER 61 HB1 SER 61 1.003 -3.670 -1.445 405 HG SER 61 HG SER 61 -0.302 -3.404 0.174 406 H ALA 62 H ALA 62 -2.468 -1.991 -1.829 407 HA ALA 62 HA ALA 62 -1.447 0.712 -2.407 408 HB1 ALA 62 HB1 ALA 62 -3.746 0.711 -0.674 409 HB2 ALA 62 HB2 ALA 62 -4.008 -0.440 -1.984 410 HB3 ALA 62 HB3 ALA 62 -3.634 1.244 -2.351 411 H ASP 63 H ASP 63 -1.844 -1.457 0.342 412 HA ASP 63 HA ASP 63 -1.021 0.625 2.252 413 HB2 ASP 63 HB2 ASP 63 -2.169 -2.063 2.385 414 HB3 ASP 63 HB1 ASP 63 -0.869 -1.831 3.554 415 H CYS 64 H CYS 64 1.043 0.949 2.913 416 HA CYS 64 HA CYS 64 3.203 -0.504 1.590 417 HB2 CYS 64 HB2 CYS 64 3.735 1.754 1.864 418 HB3 CYS 64 HB1 CYS 64 2.983 1.845 3.451 419 HA PRO 65 HA PRO 65 3.676 -3.511 4.751 420 HB2 PRO 65 HB2 PRO 65 5.999 -4.544 3.748 421 HB3 PRO 65 HB1 PRO 65 4.415 -4.919 3.071 422 HG2 PRO 65 HG2 PRO 65 6.569 -3.165 2.006 423 HG3 PRO 65 HG1 PRO 65 5.297 -4.037 1.139 424 HD2 PRO 65 HD2 PRO 65 5.294 -1.281 1.733 425 HD3 PRO 65 HD1 PRO 65 3.896 -2.229 1.189 426 H ARG 66 H ARG 66 4.973 -3.704 6.659 427 HA ARG 66 HA ARG 66 6.716 -1.421 7.229 428 HB2 ARG 66 HB2 ARG 66 5.162 -2.460 8.928 429 HB3 ARG 66 HB1 ARG 66 6.217 -3.875 8.941 430 HG2 ARG 66 HG2 ARG 66 7.415 -2.808 10.531 431 HG3 ARG 66 HG1 ARG 66 7.980 -1.742 9.244 432 HD2 ARG 66 HD2 ARG 66 5.697 -1.301 11.170 433 HD3 ARG 66 HD1 ARG 66 7.099 -0.271 10.882 434 HE ARG 66 HE ARG 66 5.859 -0.263 8.437 435 HH11 ARG 66 1HH1 ARG 66 5.154 0.656 11.663 436 HH12 ARG 66 2HH1 ARG 66 3.726 1.545 11.249 437 HH21 ARG 66 1HH2 ARG 66 3.848 0.692 7.890 438 HH22 ARG 66 2HH2 ARG 66 2.986 1.564 9.114 439 H ASN 67 H ASN 67 8.705 -1.516 6.242 440 HA ASN 67 HA ASN 67 10.116 -4.127 6.129 441 HB2 ASN 67 HB2 ASN 67 9.965 -2.637 4.095 442 HB3 ASN 67 HB1 ASN 67 10.979 -1.473 4.947 443 HD21 ASN 67 1HD2 ASN 67 10.963 -4.912 3.878 444 HD22 ASN 67 2HD2 ASN 67 12.646 -5.019 3.698 445 H GLY 68 H GLY 68 9.864 -1.594 8.259 446 HA2 GLY 68 HA2 GLY 68 12.625 -1.138 8.948 447 HA3 GLY 68 HA1 GLY 68 11.242 -0.793 9.987 448 H LEU 69 H LEU 69 13.164 -1.722 11.459 449 HA LEU 69 HA LEU 69 13.130 -4.683 11.516 450 HB2 LEU 69 HB2 LEU 69 14.597 -2.711 13.297 451 HB3 LEU 69 HB1 LEU 69 14.844 -4.456 13.259 452 HG LEU 69 HG LEU 69 15.039 -3.435 10.582 453 HD11 LEU 69 1HD1 LEU 69 17.384 -2.286 11.632 454 HD12 LEU 69 2HD1 LEU 69 16.070 -1.658 12.627 455 HD13 LEU 69 3HD1 LEU 69 16.036 -1.436 10.878 456 HD21 LEU 69 3HD2 LEU 69 17.576 -4.194 11.464 457 HD22 LEU 69 1HD2 LEU 69 16.373 -5.256 10.729 458 HD23 LEU 69 2HD2 LEU 69 16.476 -5.121 12.485 459 H TYR 70 H TYR 70 10.647 -3.375 12.079 460 HA TYR 70 HA TYR 70 10.256 -4.328 14.867 461 HB2 TYR 70 HB2 TYR 70 9.095 -1.722 13.846 462 HB3 TYR 70 HB1 TYR 70 8.981 -2.369 15.483 463 HD1 TYR 70 HD1 TYR 70 11.140 -2.709 16.810 464 HD2 TYR 70 HD2 TYR 70 10.947 -0.404 13.191 465 HE1 TYR 70 HE1 TYR 70 13.280 -1.603 17.401 466 HE2 TYR 70 HE2 TYR 70 13.086 0.704 13.782 467 HH TYR 70 HH TYR 70 15.214 -0.410 15.875 468 H GLY 71 H GLY 71 7.785 -4.459 15.305 469 HA2 GLY 71 HA2 GLY 71 6.582 -6.140 13.358 470 HA3 GLY 71 HA1 GLY 71 5.715 -5.375 14.689 Start of MODEL 13 1 H GLY 1 HT1 GLY 1 -19.165 -9.384 5.564 2 HA2 GLY 1 HA1 GLY 1 -18.440 -9.823 3.478 3 HA3 GLY 1 HA2 GLY 1 -19.432 -8.402 3.149 4 H LYS 2 H LYS 2 -16.637 -9.615 2.221 5 HA LYS 2 HA LYS 2 -14.846 -7.346 2.698 6 HB2 LYS 2 HB2 LYS 2 -14.609 -10.038 1.720 7 HB3 LYS 2 HB1 LYS 2 -13.914 -8.935 0.531 8 HG2 LYS 2 HG2 LYS 2 -12.099 -9.302 1.956 9 HG3 LYS 2 HG1 LYS 2 -12.787 -7.822 2.625 10 HD2 LYS 2 HD2 LYS 2 -14.234 -9.766 3.929 11 HD3 LYS 2 HD1 LYS 2 -12.645 -10.518 3.795 12 HE2 LYS 2 HE2 LYS 2 -12.113 -9.302 5.633 13 HE3 LYS 2 HE1 LYS 2 -12.007 -7.937 4.522 14 HZ1 LYS 2 HZ1 LYS 2 -13.495 -7.656 6.526 15 HZ2 LYS 2 HZ2 LYS 2 -14.559 -8.750 5.779 16 HZ3 LYS 2 HZ3 LYS 2 -14.182 -7.276 5.022 17 H GLU 3 H GLU 3 -17.023 -6.190 1.656 18 HA GLU 3 HA GLU 3 -16.426 -5.823 -1.251 19 HB2 GLU 3 HB2 GLU 3 -18.929 -5.924 0.312 20 HB3 GLU 3 HB1 GLU 3 -18.852 -4.614 -0.867 21 HG2 GLU 3 HG2 GLU 3 -17.827 -7.121 -1.954 22 HG3 GLU 3 HG1 GLU 3 -19.500 -7.270 -1.413 23 H CYS 4 H CYS 4 -15.243 -4.498 1.271 24 HA CYS 4 HA CYS 4 -15.936 -1.684 0.543 25 HB2 CYS 4 HB2 CYS 4 -15.317 -3.020 3.108 26 HB3 CYS 4 HB1 CYS 4 -14.532 -1.460 2.875 27 H ASP 5 H ASP 5 -14.405 -0.757 -0.735 28 HA ASP 5 HA ASP 5 -11.636 -1.824 -0.655 29 HB2 ASP 5 HB2 ASP 5 -13.037 -1.312 -2.819 30 HB3 ASP 5 HB1 ASP 5 -12.554 0.358 -2.513 31 H CYS 6 H CYS 6 -13.502 0.829 0.478 32 HA CYS 6 HA CYS 6 -10.983 2.194 1.325 33 HB2 CYS 6 HB2 CYS 6 -12.064 4.366 0.979 34 HB3 CYS 6 HB1 CYS 6 -12.066 3.453 -0.530 35 H SER 7 H SER 7 -11.441 3.687 3.246 36 HA SER 7 HA SER 7 -13.413 2.335 5.038 37 HB2 SER 7 HB2 SER 7 -12.028 3.189 6.896 38 HB3 SER 7 HB1 SER 7 -11.070 2.212 5.789 39 HG SER 7 HG SER 7 -9.870 3.982 5.945 40 H SER 8 H SER 8 -13.246 4.995 3.144 41 HA SER 8 HA SER 8 -14.840 6.614 5.087 42 HB2 SER 8 HB2 SER 8 -13.787 8.262 2.994 43 HB3 SER 8 HB1 SER 8 -13.466 8.355 4.723 44 HG SER 8 HG SER 8 -11.607 7.445 4.382 45 HA PRO 9 HA PRO 9 -17.940 6.126 1.942 46 HB2 PRO 9 HB2 PRO 9 -19.842 7.679 3.175 47 HB3 PRO 9 HB1 PRO 9 -19.470 6.016 3.663 48 HG2 PRO 9 HG2 PRO 9 -18.757 8.571 5.019 49 HG3 PRO 9 HG1 PRO 9 -18.950 6.951 5.708 50 HD2 PRO 9 HD2 PRO 9 -16.488 8.237 5.113 51 HD3 PRO 9 HD1 PRO 9 -16.706 6.525 5.536 52 H GLU 10 H GLU 10 -16.539 9.132 2.961 53 HA GLU 10 HA GLU 10 -17.965 10.732 0.947 54 HB2 GLU 10 HB2 GLU 10 -15.752 11.341 2.916 55 HB3 GLU 10 HB1 GLU 10 -16.308 12.518 1.724 56 HG2 GLU 10 HG2 GLU 10 -18.686 11.672 2.766 57 HG3 GLU 10 HG1 GLU 10 -17.639 11.554 4.180 58 H ASN 11 H ASN 11 -15.305 8.649 0.983 59 HA ASN 11 HA ASN 11 -13.586 10.012 -0.888 60 HB2 ASN 11 HB2 ASN 11 -13.049 7.998 0.653 61 HB3 ASN 11 HB1 ASN 11 -13.776 7.016 -0.619 62 HD21 ASN 11 1HD2 ASN 11 -11.030 6.691 -0.060 63 HD22 ASN 11 2HD2 ASN 11 -10.116 7.319 -1.346 64 HA PRO 12 HA PRO 12 -16.319 9.226 -4.349 65 HB2 PRO 12 HB2 PRO 12 -14.852 10.702 -6.147 66 HB3 PRO 12 HB1 PRO 12 -15.988 11.414 -4.988 67 HG2 PRO 12 HG2 PRO 12 -13.007 11.403 -4.927 68 HG3 PRO 12 HG1 PRO 12 -14.140 12.565 -4.217 69 HD2 PRO 12 HD2 PRO 12 -12.766 10.529 -2.815 70 HD3 PRO 12 HD1 PRO 12 -14.145 11.468 -2.204 71 H CYS 13 H CYS 13 -12.992 8.393 -3.976 72 HA CYS 13 HA CYS 13 -12.625 7.134 -6.563 73 HB2 CYS 13 HB2 CYS 13 -11.092 7.486 -4.098 74 HB3 CYS 13 HB1 CYS 13 -10.873 5.881 -4.799 75 H CYS 14 H CYS 14 -14.254 6.271 -3.667 76 HA CYS 14 HA CYS 14 -14.586 3.497 -4.727 77 HB2 CYS 14 HB2 CYS 14 -14.645 2.646 -2.440 78 HB3 CYS 14 HB1 CYS 14 -13.139 3.530 -2.690 79 H ASP 15 H ASP 15 -16.650 3.210 -5.305 80 HA ASP 15 HA ASP 15 -18.786 4.963 -4.894 81 HB2 ASP 15 HB2 ASP 15 -18.498 2.660 -6.261 82 HB3 ASP 15 HB1 ASP 15 -19.419 2.061 -4.889 83 H ALA 16 H ALA 16 -19.971 5.485 -3.120 84 HA ALA 16 HA ALA 16 -19.431 4.302 -0.548 85 HB1 ALA 16 HB1 ALA 16 -21.235 6.393 -1.634 86 HB2 ALA 16 HB2 ALA 16 -20.222 6.421 -0.192 87 HB3 ALA 16 HB3 ALA 16 -21.785 5.604 -0.157 88 H ALA 17 H ALA 17 -21.908 3.812 -3.013 89 HA ALA 17 HA ALA 17 -23.741 2.267 -1.483 90 HB1 ALA 17 HB1 ALA 17 -24.336 1.233 -3.720 91 HB2 ALA 17 HB2 ALA 17 -23.004 2.152 -4.422 92 HB3 ALA 17 HB3 ALA 17 -24.372 2.997 -3.697 93 H THR 18 H THR 18 -21.378 0.942 -3.831 94 HA THR 18 HA THR 18 -21.423 -1.635 -2.448 95 HB THR 18 HB THR 18 -21.171 -1.739 -4.829 96 HG1 THR 18 HG1 THR 18 -19.783 -3.247 -4.467 97 HG21 THR 18 3HG2 THR 18 -19.099 -0.637 -5.870 98 HG22 THR 18 1HG2 THR 18 -18.989 0.294 -4.378 99 HG23 THR 18 2HG2 THR 18 -20.418 0.435 -5.401 100 H CYS 19 H CYS 19 -19.846 1.271 -1.894 101 HA CYS 19 HA CYS 19 -18.024 1.844 -0.522 102 HB2 CYS 19 HB2 CYS 19 -19.238 0.370 1.063 103 HB3 CYS 19 HB1 CYS 19 -18.379 -1.024 0.409 104 H LYS 20 H LYS 20 -17.577 0.561 -3.208 105 HA LYS 20 HA LYS 20 -14.772 -0.323 -2.676 106 HB2 LYS 20 HB2 LYS 20 -16.854 -1.602 -4.429 107 HB3 LYS 20 HB1 LYS 20 -15.138 -1.802 -4.784 108 HG2 LYS 20 HG2 LYS 20 -15.537 -2.217 -1.980 109 HG3 LYS 20 HG1 LYS 20 -16.706 -3.203 -2.860 110 HD2 LYS 20 HD2 LYS 20 -15.102 -4.596 -3.633 111 HD3 LYS 20 HD1 LYS 20 -14.045 -3.256 -4.079 112 HE2 LYS 20 HE2 LYS 20 -13.293 -3.030 -1.767 113 HE3 LYS 20 HE1 LYS 20 -14.416 -4.288 -1.252 114 HZ1 LYS 20 HZ1 LYS 20 -13.254 -5.864 -2.650 115 HZ2 LYS 20 HZ2 LYS 20 -12.171 -5.146 -1.556 116 HZ3 LYS 20 HZ3 LYS 20 -12.190 -4.656 -3.183 117 H LEU 21 H LEU 21 -13.535 -0.291 -4.908 118 HA LEU 21 HA LEU 21 -13.481 2.417 -5.805 119 HB2 LEU 21 HB2 LEU 21 -12.206 -0.144 -6.683 120 HB3 LEU 21 HB1 LEU 21 -12.124 1.249 -7.762 121 HG LEU 21 HG LEU 21 -11.536 1.940 -4.979 122 HD11 LEU 21 1HD1 LEU 21 -10.555 -0.534 -5.721 123 HD12 LEU 21 2HD1 LEU 21 -9.839 0.515 -4.498 124 HD13 LEU 21 3HD1 LEU 21 -9.231 0.548 -6.153 125 HD21 LEU 21 3HD2 LEU 21 -10.877 3.585 -6.448 126 HD22 LEU 21 1HD2 LEU 21 -10.519 2.435 -7.736 127 HD23 LEU 21 2HD2 LEU 21 -9.375 2.660 -6.414 128 H ARG 22 H ARG 22 -14.912 3.405 -7.136 129 HA ARG 22 HA ARG 22 -16.694 1.772 -8.816 130 HB2 ARG 22 HB2 ARG 22 -17.857 3.517 -7.755 131 HB3 ARG 22 HB1 ARG 22 -16.590 4.693 -8.079 132 HG2 ARG 22 HG2 ARG 22 -17.900 3.404 -10.431 133 HG3 ARG 22 HG1 ARG 22 -18.835 4.603 -9.535 134 HD2 ARG 22 HD2 ARG 22 -16.423 5.866 -9.723 135 HD3 ARG 22 HD1 ARG 22 -16.447 4.965 -11.239 136 HE ARG 22 HE ARG 22 -18.846 6.570 -10.561 137 HH11 ARG 22 1HH2 ARG 22 -15.743 6.731 -11.951 138 HH12 ARG 22 2HH2 ARG 22 -16.258 7.564 -13.379 139 HH21 ARG 22 1HH1 ARG 22 -19.631 7.360 -12.602 140 HH22 ARG 22 2HH1 ARG 22 -18.458 7.920 -13.747 141 HA PRO 23 HA PRO 23 -14.403 4.254 -12.196 142 HB2 PRO 23 HB2 PRO 23 -12.116 5.592 -11.468 143 HB3 PRO 23 HB1 PRO 23 -13.729 6.326 -11.450 144 HG2 PRO 23 HG2 PRO 23 -12.053 5.428 -9.160 145 HG3 PRO 23 HG1 PRO 23 -13.336 6.649 -9.201 146 HD2 PRO 23 HD2 PRO 23 -13.568 3.996 -8.219 147 HD3 PRO 23 HD1 PRO 23 -14.900 5.134 -8.506 148 H GLY 24 H GLY 24 -11.788 4.274 -13.000 149 HA2 GLY 24 HA2 GLY 24 -11.032 1.438 -12.710 150 HA3 GLY 24 HA1 GLY 24 -10.338 2.584 -13.858 151 H ALA 25 H ALA 25 -10.690 2.919 -10.332 152 HA ALA 25 HA ALA 25 -7.788 3.522 -10.183 153 HB1 ALA 25 HB1 ALA 25 -10.191 4.158 -8.548 154 HB2 ALA 25 HB2 ALA 25 -8.795 5.165 -8.934 155 HB3 ALA 25 HB3 ALA 25 -8.679 3.945 -7.666 156 H GLN 26 H GLN 26 -6.352 2.204 -9.067 157 HA GLN 26 HA GLN 26 -7.291 -0.488 -8.381 158 HB2 GLN 26 HB2 GLN 26 -4.873 0.598 -9.263 159 HB3 GLN 26 HB1 GLN 26 -4.554 0.128 -7.593 160 HG2 GLN 26 HG2 GLN 26 -4.289 -1.976 -8.364 161 HG3 GLN 26 HG1 GLN 26 -6.035 -2.000 -8.612 162 HE21 GLN 26 1HE2 GLN 26 -4.081 -3.391 -10.311 163 HE22 GLN 26 2HE2 GLN 26 -4.212 -2.718 -11.863 164 H CYS 27 H CYS 27 -7.187 2.429 -6.748 165 HA CYS 27 HA CYS 27 -7.804 1.206 -4.213 166 HB2 CYS 27 HB2 CYS 27 -5.607 0.815 -3.656 167 HB3 CYS 27 HB1 CYS 27 -4.994 2.038 -4.760 168 H GLY 28 H GLY 28 -8.965 2.658 -3.023 169 HA2 GLY 28 HA2 GLY 28 -9.206 5.405 -4.098 170 HA3 GLY 28 HA1 GLY 28 -10.297 4.661 -2.931 171 H GLU 29 H GLU 29 -8.028 3.631 -1.361 172 HA GLU 29 HA GLU 29 -6.695 6.078 -0.394 173 HB2 GLU 29 HB2 GLU 29 -7.557 5.940 1.808 174 HB3 GLU 29 HB1 GLU 29 -8.964 5.768 0.770 175 HG2 GLU 29 HG2 GLU 29 -9.396 3.895 1.969 176 HG3 GLU 29 HG1 GLU 29 -8.113 3.164 1.005 177 H GLY 30 H GLY 30 -4.719 5.590 0.631 178 HA2 GLY 30 HA2 GLY 30 -3.859 3.286 1.876 179 HA3 GLY 30 HA1 GLY 30 -3.698 2.892 0.163 180 H LEU 31 H LEU 31 -1.441 3.035 1.821 181 HA LEU 31 HA LEU 31 -0.180 5.637 1.687 182 HB2 LEU 31 HB2 LEU 31 0.487 2.977 2.659 183 HB3 LEU 31 HB1 LEU 31 1.854 3.720 1.830 184 HG LEU 31 HG LEU 31 1.953 4.372 4.159 185 HD11 LEU 31 1HD1 LEU 31 2.176 6.678 3.861 186 HD12 LEU 31 2HD1 LEU 31 0.738 6.786 2.847 187 HD13 LEU 31 3HD1 LEU 31 2.226 6.097 2.196 188 HD21 LEU 31 3HD2 LEU 31 -0.127 4.159 5.130 189 HD22 LEU 31 1HD2 LEU 31 -0.967 4.809 3.721 190 HD23 LEU 31 2HD2 LEU 31 -0.147 5.899 4.841 191 H CYS 32 H CYS 32 0.115 2.659 -0.253 192 HA CYS 32 HA CYS 32 1.820 4.109 -2.194 193 HB2 CYS 32 HB2 CYS 32 2.406 1.783 -1.514 194 HB3 CYS 32 HB1 CYS 32 0.882 1.226 -2.205 195 H CYS 33 H CYS 33 -0.634 5.264 -2.196 196 HA CYS 33 HA CYS 33 -1.920 4.124 -4.642 197 HB2 CYS 33 HB2 CYS 33 -3.205 5.598 -2.332 198 HB3 CYS 33 HB1 CYS 33 -4.043 5.147 -3.815 199 H GLU 34 H GLU 34 -0.704 5.459 -6.065 200 HA GLU 34 HA GLU 34 -0.814 8.387 -5.671 201 HB2 GLU 34 HB2 GLU 34 1.268 7.153 -6.508 202 HB3 GLU 34 HB1 GLU 34 0.388 6.890 -8.014 203 HG2 GLU 34 HG2 GLU 34 0.413 9.132 -8.587 204 HG3 GLU 34 HG1 GLU 34 0.489 9.668 -6.908 205 H GLN 35 H GLN 35 -2.659 9.359 -6.355 206 HA GLN 35 HA GLN 35 -4.452 9.926 -7.755 207 HB2 GLN 35 HB2 GLN 35 -3.088 8.171 -9.817 208 HB3 GLN 35 HB1 GLN 35 -4.278 9.436 -10.122 209 HG2 GLN 35 HG2 GLN 35 -2.577 11.005 -8.930 210 HG3 GLN 35 HG1 GLN 35 -1.409 9.722 -9.250 211 HE21 GLN 35 1HE2 GLN 35 -1.610 12.475 -10.499 212 HE22 GLN 35 2HE2 GLN 35 -1.717 12.193 -12.169 213 H CYS 36 H CYS 36 -4.501 7.622 -5.992 214 HA CYS 36 HA CYS 36 -5.943 5.846 -5.497 215 HB2 CYS 36 HB2 CYS 36 -7.319 7.190 -7.798 216 HB3 CYS 36 HB1 CYS 36 -7.894 5.608 -7.266 217 H LYS 37 H LYS 37 -3.551 5.435 -7.094 218 HA LYS 37 HA LYS 37 -4.372 2.901 -8.434 219 HB2 LYS 37 HB2 LYS 37 -3.439 5.192 -9.794 220 HB3 LYS 37 HB1 LYS 37 -2.074 4.077 -9.745 221 HG2 LYS 37 HG2 LYS 37 -4.543 2.669 -10.342 222 HG3 LYS 37 HG1 LYS 37 -4.259 3.967 -11.503 223 HD2 LYS 37 HD2 LYS 37 -1.800 3.025 -11.519 224 HD3 LYS 37 HD1 LYS 37 -2.565 1.560 -10.906 225 HE2 LYS 37 HE2 LYS 37 -3.206 1.038 -12.997 226 HE3 LYS 37 HE1 LYS 37 -4.175 2.510 -13.050 227 HZ1 LYS 37 HZ1 LYS 37 -1.324 2.216 -13.809 228 HZ2 LYS 37 HZ2 LYS 37 -2.116 3.713 -13.678 229 HZ3 LYS 37 HZ3 LYS 37 -2.625 2.577 -14.835 230 H PHE 38 H PHE 38 -2.484 1.373 -8.606 231 HA PHE 38 HA PHE 38 -0.952 1.420 -6.121 232 HB2 PHE 38 HB2 PHE 38 -0.967 -0.455 -8.496 233 HB3 PHE 38 HB1 PHE 38 0.091 -0.679 -7.109 234 HD1 PHE 38 HD2 PHE 38 -2.579 0.797 -5.593 235 HD2 PHE 38 HD1 PHE 38 -1.620 -2.870 -7.617 236 HE1 PHE 38 HE2 PHE 38 -4.395 -0.357 -4.372 237 HE2 PHE 38 HE1 PHE 38 -3.442 -4.020 -6.392 238 HZ PHE 38 HZ PHE 38 -4.831 -2.762 -4.768 239 H SER 39 H SER 39 0.733 2.866 -6.031 240 HA SER 39 HA SER 39 2.216 3.779 -8.295 241 HB2 SER 39 HB2 SER 39 3.583 3.574 -5.646 242 HB3 SER 39 HB1 SER 39 3.525 4.926 -6.774 243 HG SER 39 HG SER 39 2.254 5.322 -4.925 244 H ARG 40 H ARG 40 4.885 3.295 -7.922 245 HA ARG 40 HA ARG 40 5.042 0.447 -8.667 246 HB2 ARG 40 HB2 ARG 40 7.010 2.745 -8.722 247 HB3 ARG 40 HB1 ARG 40 7.511 1.085 -9.048 248 HG2 ARG 40 HG2 ARG 40 6.201 0.933 -10.989 249 HG3 ARG 40 HG1 ARG 40 5.155 2.267 -10.501 250 HD2 ARG 40 HD2 ARG 40 6.512 3.800 -11.452 251 HD3 ARG 40 HD1 ARG 40 7.948 3.089 -10.715 252 HE ARG 40 HE ARG 40 7.280 1.329 -12.763 253 HH11 ARG 40 1HH2 ARG 40 6.743 4.581 -13.184 254 HH12 ARG 40 2HH2 ARG 40 7.907 4.808 -14.445 255 HH21 ARG 40 1HH1 ARG 40 9.303 1.656 -14.085 256 HH22 ARG 40 2HH1 ARG 40 9.356 3.152 -14.956 257 H ALA 41 H ALA 41 6.707 -0.958 -7.665 258 HA ALA 41 HA ALA 41 6.583 -0.865 -4.781 259 HB1 ALA 41 HB1 ALA 41 6.882 -2.915 -6.410 260 HB2 ALA 41 HB2 ALA 41 7.656 -2.941 -4.827 261 HB3 ALA 41 HB3 ALA 41 8.597 -2.536 -6.261 262 H GLY 42 H GLY 42 8.652 -0.978 -3.439 263 HA2 GLY 42 HA2 GLY 42 10.686 -0.004 -2.766 264 HA3 GLY 42 HA1 GLY 42 11.056 0.244 -4.476 265 H LYS 43 H LYS 43 8.027 1.385 -3.241 266 HA LYS 43 HA LYS 43 9.040 4.187 -3.605 267 HB2 LYS 43 HB2 LYS 43 7.175 3.844 -5.019 268 HB3 LYS 43 HB1 LYS 43 6.297 2.950 -3.787 269 HG2 LYS 43 HG2 LYS 43 5.332 4.837 -3.049 270 HG3 LYS 43 HG1 LYS 43 6.911 5.565 -2.771 271 HD2 LYS 43 HD2 LYS 43 6.242 5.445 -5.610 272 HD3 LYS 43 HD1 LYS 43 5.064 6.375 -4.683 273 HE2 LYS 43 HE2 LYS 43 6.609 7.976 -4.061 274 HE3 LYS 43 HE1 LYS 43 7.961 6.844 -4.121 275 HZ1 LYS 43 HZ1 LYS 43 8.179 8.300 -5.955 276 HZ2 LYS 43 HZ2 LYS 43 6.552 8.103 -6.407 277 HZ3 LYS 43 HZ3 LYS 43 7.649 6.817 -6.583 278 H ILE 44 H ILE 44 9.098 5.586 -1.877 279 HA ILE 44 HA ILE 44 8.918 4.596 0.774 280 HB ILE 44 HB ILE 44 9.179 7.283 -0.488 281 HG12 ILE 44 2HG1 ILE 44 11.129 5.939 0.143 282 HG13 ILE 44 1HG1 ILE 44 11.051 7.387 1.150 283 HG21 ILE 44 1HG2 ILE 44 7.430 7.808 1.123 284 HG22 ILE 44 2HG2 ILE 44 8.967 8.391 1.761 285 HG23 ILE 44 3HG2 ILE 44 8.263 6.897 2.381 286 HD11 ILE 44 3HD1 ILE 44 9.487 5.360 2.415 287 HD12 ILE 44 1HD1 ILE 44 10.979 6.101 2.994 288 HD13 ILE 44 2HD1 ILE 44 11.047 4.652 1.990 289 H CYS 45 H CYS 45 7.213 4.090 1.946 290 HA CYS 45 HA CYS 45 4.571 5.293 1.249 291 HB2 CYS 45 HB2 CYS 45 3.742 3.177 2.551 292 HB3 CYS 45 HB1 CYS 45 4.284 2.997 0.884 293 H ARG 46 H ARG 46 6.961 4.767 3.689 294 HA ARG 46 HA ARG 46 5.582 6.619 5.461 295 HB2 ARG 46 HB2 ARG 46 5.136 3.827 5.809 296 HB3 ARG 46 HB1 ARG 46 6.169 4.367 7.133 297 HG2 ARG 46 HG2 ARG 46 4.523 5.628 8.063 298 HG3 ARG 46 HG1 ARG 46 3.961 6.214 6.498 299 HD2 ARG 46 HD2 ARG 46 2.257 4.797 7.619 300 HD3 ARG 46 HD1 ARG 46 2.798 4.094 6.094 301 HE ARG 46 HE ARG 46 4.470 2.918 7.938 302 HH11 ARG 46 1HH2 ARG 46 1.275 2.693 6.865 303 HH12 ARG 46 2HH2 ARG 46 0.780 1.535 8.054 304 HH21 ARG 46 1HH1 ARG 46 3.752 1.698 9.834 305 HH22 ARG 46 2HH1 ARG 46 2.183 0.972 9.734 306 H ILE 47 H ILE 47 6.946 7.130 7.384 307 HA ILE 47 HA ILE 47 9.784 7.075 6.621 308 HB ILE 47 HB ILE 47 8.529 9.095 7.598 309 HG12 ILE 47 2HG1 ILE 47 10.827 8.727 9.386 310 HG13 ILE 47 1HG1 ILE 47 11.179 8.300 7.710 311 HG21 ILE 47 1HG2 ILE 47 8.294 9.192 10.003 312 HG22 ILE 47 2HG2 ILE 47 9.058 7.614 10.190 313 HG23 ILE 47 3HG2 ILE 47 7.466 7.739 9.442 314 HD11 ILE 47 3HD1 ILE 47 10.143 10.934 8.774 315 HD12 ILE 47 1HD1 ILE 47 10.086 10.516 7.061 316 HD13 ILE 47 2HD1 ILE 47 11.640 10.636 7.890 317 H ALA 48 H ALA 48 11.449 6.358 8.179 318 HA ALA 48 HA ALA 48 10.454 4.073 9.830 319 HB1 ALA 48 HB1 ALA 48 11.971 2.865 8.681 320 HB2 ALA 48 HB2 ALA 48 13.234 3.811 9.467 321 HB3 ALA 48 HB3 ALA 48 12.601 4.315 7.900 322 H ARG 49 H ARG 49 11.446 3.756 11.912 323 HA ARG 49 HA ARG 49 12.109 6.247 13.265 324 HB2 ARG 49 HB2 ARG 49 11.964 3.356 14.123 325 HB3 ARG 49 HB1 ARG 49 12.538 4.615 15.217 326 HG2 ARG 49 HG2 ARG 49 10.134 5.534 13.955 327 HG3 ARG 49 HG1 ARG 49 9.843 3.924 14.615 328 HD2 ARG 49 HD2 ARG 49 9.677 4.832 16.665 329 HD3 ARG 49 HD1 ARG 49 11.367 5.324 16.551 330 HE ARG 49 HE ARG 49 9.294 7.089 15.351 331 HH11 ARG 49 1HH2 ARG 49 10.234 6.605 18.451 332 HH12 ARG 49 2HH2 ARG 49 10.999 8.141 18.688 333 HH21 ARG 49 1HH1 ARG 49 10.922 8.996 15.328 334 HH22 ARG 49 2HH1 ARG 49 11.390 9.494 16.920 335 H GLY 50 H GLY 50 14.119 7.085 13.425 336 HA2 GLY 50 HA2 GLY 50 16.479 7.006 13.880 337 HA3 GLY 50 HA1 GLY 50 16.468 5.283 13.501 338 H ASP 51 H ASP 51 14.828 5.872 11.067 339 HA ASP 51 HA ASP 51 15.108 6.588 8.832 340 HB2 ASP 51 HB2 ASP 51 16.717 8.403 10.232 341 HB3 ASP 51 HB1 ASP 51 17.786 7.707 9.014 342 H TRP 52 H TRP 52 15.394 4.136 8.891 343 HA TRP 52 HA TRP 52 18.091 3.498 7.794 344 HB2 TRP 52 HB2 TRP 52 17.643 1.146 8.833 345 HB3 TRP 52 HB1 TRP 52 18.223 2.440 9.875 346 HD1 TRP 52 HD TRP 52 14.582 1.940 8.657 347 HE1 TRP 52 HE1 TRP 52 13.079 1.696 10.732 348 HE3 TRP 52 HE3 TRP 52 18.125 1.965 12.333 349 HZ2 TRP 52 HZ2 TRP 52 13.336 1.504 13.567 350 HZ3 TRP 52 HZ3 TRP 52 17.463 1.760 14.707 351 HH2 TRP 52 HH TRP 52 15.078 1.526 15.333 352 H ASN 53 H ASN 53 16.074 0.770 7.969 353 HA ASN 53 HA ASN 53 15.715 0.787 5.079 354 HB2 ASN 53 HB2 ASN 53 15.269 -1.117 7.313 355 HB3 ASN 53 HB1 ASN 53 14.201 -1.304 5.921 356 HD21 ASN 53 1HD2 ASN 53 15.948 -0.582 3.813 357 HD22 ASN 53 2HD2 ASN 53 17.218 -1.705 3.735 358 H ASP 54 H ASP 54 14.388 2.803 5.032 359 HA ASP 54 HA ASP 54 11.859 3.068 6.286 360 HB2 ASP 54 HB2 ASP 54 13.002 4.149 3.711 361 HB3 ASP 54 HB1 ASP 54 11.344 4.513 4.193 362 H ASP 55 H ASP 55 9.729 2.597 5.508 363 HA ASP 55 HA ASP 55 9.471 0.057 4.175 364 HB2 ASP 55 HB2 ASP 55 7.309 2.140 4.588 365 HB3 ASP 55 HB1 ASP 55 7.088 0.403 4.373 366 H ARG 56 H ARG 56 8.781 -0.385 2.041 367 HA ARG 56 HA ARG 56 8.606 1.969 0.218 368 HB2 ARG 56 HB2 ARG 56 10.002 -0.583 -0.568 369 HB3 ARG 56 HB1 ARG 56 10.072 0.994 -1.355 370 HG2 ARG 56 HG2 ARG 56 10.909 1.445 1.293 371 HG3 ARG 56 HG1 ARG 56 11.720 -0.038 0.789 372 HD2 ARG 56 HD2 ARG 56 12.486 1.116 -1.278 373 HD3 ARG 56 HD1 ARG 56 11.738 2.605 -0.699 374 HE ARG 56 HE ARG 56 13.383 2.624 1.140 375 HH11 ARG 56 1HH1 ARG 56 13.706 -0.408 -0.165 376 HH12 ARG 56 2HH1 ARG 56 15.425 -0.350 -0.372 377 HH21 ARG 56 1HH2 ARG 56 15.660 3.033 0.355 378 HH22 ARG 56 2HH2 ARG 56 16.532 1.600 -0.077 379 H CYS 57 H CYS 57 7.101 1.777 -1.440 380 HA CYS 57 HA CYS 57 4.865 0.118 -1.157 381 HB2 CYS 57 HB2 CYS 57 4.994 2.083 -2.705 382 HB3 CYS 57 HB1 CYS 57 5.991 1.116 -3.788 383 H THR 58 H THR 58 4.317 -1.916 -1.952 384 HA THR 58 HA THR 58 6.517 -3.739 -2.505 385 HB THR 58 HB THR 58 3.950 -4.918 -3.020 386 HG1 THR 58 HG1 THR 58 3.346 -4.408 -0.677 387 HG21 THR 58 3HG2 THR 58 4.562 -6.227 -0.999 388 HG22 THR 58 1HG2 THR 58 5.889 -5.103 -0.698 389 HG23 THR 58 2HG2 THR 58 5.897 -6.112 -2.145 390 H GLY 59 H GLY 59 4.146 -2.016 -4.402 391 HA2 GLY 59 HA2 GLY 59 4.851 -1.702 -6.807 392 HA3 GLY 59 HA1 GLY 59 5.161 -3.438 -6.830 393 H GLN 60 H GLN 60 2.806 -4.162 -5.294 394 HA GLN 60 HA GLN 60 0.626 -3.315 -7.148 395 HB2 GLN 60 HB2 GLN 60 1.114 -6.163 -6.229 396 HB3 GLN 60 HB1 GLN 60 -0.137 -5.615 -7.345 397 HG2 GLN 60 HG2 GLN 60 1.482 -5.018 -9.009 398 HG3 GLN 60 HG1 GLN 60 2.816 -5.218 -7.871 399 HE21 GLN 60 1HE2 GLN 60 3.703 -6.830 -9.476 400 HE22 GLN 60 2HE2 GLN 60 3.085 -8.410 -9.481 401 H SER 61 H SER 61 1.658 -3.461 -4.006 402 HA SER 61 HA SER 61 -1.108 -3.934 -2.970 403 HB2 SER 61 HB2 SER 61 0.084 -5.291 -1.582 404 HB3 SER 61 HB1 SER 61 1.601 -4.463 -1.919 405 HG SER 61 HG SER 61 1.309 -3.521 -0.071 406 H ALA 62 H ALA 62 -2.224 -2.071 -2.638 407 HA ALA 62 HA ALA 62 -0.982 0.522 -2.526 408 HB1 ALA 62 HB1 ALA 62 -3.394 0.971 -1.370 409 HB2 ALA 62 HB2 ALA 62 -3.723 -0.566 -2.169 410 HB3 ALA 62 HB3 ALA 62 -3.177 0.819 -3.113 411 H ASP 63 H ASP 63 -2.041 -1.787 -0.074 412 HA ASP 63 HA ASP 63 -1.496 0.047 2.135 413 HB2 ASP 63 HB2 ASP 63 -2.105 -2.915 1.986 414 HB3 ASP 63 HB1 ASP 63 -1.760 -2.093 3.508 415 H CYS 64 H CYS 64 0.643 0.657 2.113 416 HA CYS 64 HA CYS 64 2.879 -0.819 1.352 417 HB2 CYS 64 HB2 CYS 64 3.094 1.517 1.879 418 HB3 CYS 64 HB1 CYS 64 2.595 1.248 3.545 419 HA PRO 65 HA PRO 65 3.011 -4.031 4.327 420 HB2 PRO 65 HB2 PRO 65 5.373 -5.071 3.422 421 HB3 PRO 65 HB1 PRO 65 3.826 -5.354 2.626 422 HG2 PRO 65 HG2 PRO 65 6.097 -3.624 1.796 423 HG3 PRO 65 HG1 PRO 65 4.835 -4.372 0.802 424 HD2 PRO 65 HD2 PRO 65 4.929 -1.664 1.619 425 HD3 PRO 65 HD1 PRO 65 3.539 -2.496 0.889 426 H ARG 66 H ARG 66 5.027 -4.993 5.696 427 HA ARG 66 HA ARG 66 6.270 -2.628 7.014 428 HB2 ARG 66 HB2 ARG 66 4.933 -4.100 8.463 429 HB3 ARG 66 HB1 ARG 66 5.916 -5.484 7.983 430 HG2 ARG 66 HG2 ARG 66 7.427 -4.982 9.569 431 HG3 ARG 66 HG1 ARG 66 7.668 -3.389 8.850 432 HD2 ARG 66 HD2 ARG 66 5.452 -2.760 10.062 433 HD3 ARG 66 HD1 ARG 66 5.757 -4.200 11.034 434 HE ARG 66 HE ARG 66 7.368 -2.931 12.177 435 HH11 ARG 66 1HH2 ARG 66 9.303 -2.766 9.956 436 HH12 ARG 66 2HH2 ARG 66 9.422 -1.062 9.669 437 HH21 ARG 66 1HH1 ARG 66 6.506 -0.299 11.382 438 HH22 ARG 66 2HH1 ARG 66 7.840 0.334 10.477 439 H ASN 67 H ASN 67 8.271 -2.230 6.158 440 HA ASN 67 HA ASN 67 10.037 -4.591 5.639 441 HB2 ASN 67 HB2 ASN 67 9.354 -2.358 3.983 442 HB3 ASN 67 HB1 ASN 67 11.066 -2.239 4.390 443 HD21 ASN 67 1HD2 ASN 67 11.096 -2.771 1.884 444 HD22 ASN 67 2HD2 ASN 67 11.180 -4.419 1.485 445 H GLY 68 H GLY 68 10.014 -3.861 8.222 446 HA2 GLY 68 HA2 GLY 68 12.016 -1.777 8.748 447 HA3 GLY 68 HA1 GLY 68 11.213 -2.771 9.963 448 H LEU 69 H LEU 69 13.710 -2.665 10.580 449 HA LEU 69 HA LEU 69 15.288 -4.705 9.129 450 HB2 LEU 69 HB2 LEU 69 15.890 -2.763 11.361 451 HB3 LEU 69 HB1 LEU 69 17.003 -4.072 10.962 452 HG LEU 69 HG LEU 69 16.215 -2.821 8.520 453 HD11 LEU 69 1HD1 LEU 69 17.601 -0.625 9.525 454 HD12 LEU 69 2HD1 LEU 69 16.431 -0.996 10.791 455 HD13 LEU 69 3HD1 LEU 69 15.879 -0.676 9.147 456 HD21 LEU 69 3HD2 LEU 69 18.466 -3.914 9.656 457 HD22 LEU 69 1HD2 LEU 69 18.878 -2.199 9.630 458 HD23 LEU 69 2HD2 LEU 69 18.451 -3.026 8.132 459 H TYR 70 H TYR 70 12.825 -5.288 10.818 460 HA TYR 70 HA TYR 70 13.924 -7.639 12.149 461 HB2 TYR 70 HB2 TYR 70 12.542 -6.747 14.311 462 HB3 TYR 70 HB1 TYR 70 14.281 -6.535 14.120 463 HD1 TYR 70 HD2 TYR 70 11.026 -4.879 13.259 464 HD2 TYR 70 HD1 TYR 70 15.194 -4.377 14.174 465 HE1 TYR 70 HE2 TYR 70 10.728 -2.417 13.272 466 HE2 TYR 70 HE1 TYR 70 14.894 -1.915 14.188 467 HH TYR 70 HH TYR 70 11.848 -0.434 14.264 468 H GLY 71 H GLY 71 11.821 -8.461 13.650 469 HA2 GLY 71 HA2 GLY 71 9.722 -8.808 11.608 470 HA3 GLY 71 HA1 GLY 71 9.843 -9.693 13.129 Start of MODEL 14 1 H GLY 1 HT1 GLY 1 -17.050 -10.880 2.719 2 HA2 GLY 1 HA1 GLY 1 -18.573 -9.850 4.965 3 HA3 GLY 1 HA2 GLY 1 -16.976 -10.600 4.934 4 H LYS 2 H LYS 2 -15.549 -9.037 3.236 5 HA LYS 2 HA LYS 2 -15.639 -6.366 4.572 6 HB2 LYS 2 HB2 LYS 2 -13.206 -6.246 3.894 7 HB3 LYS 2 HB1 LYS 2 -13.572 -7.523 5.055 8 HG2 LYS 2 HG2 LYS 2 -13.961 -8.516 2.377 9 HG3 LYS 2 HG1 LYS 2 -12.351 -7.812 2.518 10 HD2 LYS 2 HD2 LYS 2 -13.545 -9.886 4.382 11 HD3 LYS 2 HD1 LYS 2 -12.309 -10.187 3.159 12 HE2 LYS 2 HE2 LYS 2 -10.980 -8.306 4.386 13 HE3 LYS 2 HE1 LYS 2 -12.083 -8.628 5.725 14 HZ1 LYS 2 HZ1 LYS 2 -10.498 -10.149 6.202 15 HZ2 LYS 2 HZ2 LYS 2 -9.990 -10.312 4.589 16 HZ3 LYS 2 HZ3 LYS 2 -11.400 -11.097 5.120 17 H GLU 3 H GLU 3 -16.834 -5.106 3.164 18 HA GLU 3 HA GLU 3 -15.958 -5.097 0.301 19 HB2 GLU 3 HB2 GLU 3 -18.625 -5.013 1.579 20 HB3 GLU 3 HB1 GLU 3 -18.392 -3.869 0.258 21 HG2 GLU 3 HG2 GLU 3 -17.783 -5.627 -1.265 22 HG3 GLU 3 HG1 GLU 3 -17.704 -6.810 0.042 23 H CYS 4 H CYS 4 -14.267 -3.560 1.217 24 HA CYS 4 HA CYS 4 -15.087 -0.853 0.661 25 HB2 CYS 4 HB2 CYS 4 -15.959 -0.960 2.947 26 HB3 CYS 4 HB1 CYS 4 -14.394 -1.526 3.532 27 H ASP 5 H ASP 5 -13.325 0.249 -0.076 28 HA ASP 5 HA ASP 5 -10.645 -0.940 0.513 29 HB2 ASP 5 HB2 ASP 5 -11.106 -1.179 -1.828 30 HB3 ASP 5 HB1 ASP 5 -11.714 0.473 -1.943 31 H CYS 6 H CYS 6 -12.630 1.804 0.899 32 HA CYS 6 HA CYS 6 -10.246 3.388 1.759 33 HB2 CYS 6 HB2 CYS 6 -11.218 5.408 0.869 34 HB3 CYS 6 HB1 CYS 6 -11.222 4.213 -0.426 35 H SER 7 H SER 7 -10.505 4.394 3.755 36 HA SER 7 HA SER 7 -12.869 3.617 5.310 37 HB2 SER 7 HB2 SER 7 -10.743 3.516 6.447 38 HB3 SER 7 HB1 SER 7 -10.366 5.178 6.004 39 HG SER 7 HG SER 7 -11.987 5.883 7.352 40 H SER 8 H SER 8 -12.022 6.231 3.327 41 HA SER 8 HA SER 8 -13.778 8.106 4.819 42 HB2 SER 8 HB2 SER 8 -11.544 8.396 2.935 43 HB3 SER 8 HB1 SER 8 -12.896 9.470 2.595 44 HG SER 8 HG SER 8 -12.771 9.814 5.021 45 HA PRO 9 HA PRO 9 -16.970 7.052 1.910 46 HB2 PRO 9 HB2 PRO 9 -18.834 8.812 2.898 47 HB3 PRO 9 HB1 PRO 9 -18.451 7.261 3.665 48 HG2 PRO 9 HG2 PRO 9 -17.692 10.012 4.520 49 HG3 PRO 9 HG1 PRO 9 -17.878 8.546 5.496 50 HD2 PRO 9 HD2 PRO 9 -15.423 9.673 4.624 51 HD3 PRO 9 HD1 PRO 9 -15.643 8.063 5.342 52 H GLU 10 H GLU 10 -16.081 10.427 2.609 53 HA GLU 10 HA GLU 10 -17.357 11.602 0.336 54 HB2 GLU 10 HB2 GLU 10 -16.337 12.796 2.366 55 HB3 GLU 10 HB1 GLU 10 -14.778 12.593 1.565 56 HG2 GLU 10 HG2 GLU 10 -15.442 14.691 0.779 57 HG3 GLU 10 HG1 GLU 10 -16.016 13.627 -0.506 58 H ASN 11 H ASN 11 -14.704 9.492 0.551 59 HA ASN 11 HA ASN 11 -13.165 10.446 -1.695 60 HB2 ASN 11 HB2 ASN 11 -12.135 8.942 -0.102 61 HB3 ASN 11 HB1 ASN 11 -13.373 7.719 -0.394 62 HD21 ASN 11 1HD2 ASN 11 -11.216 6.462 -0.914 63 HD22 ASN 11 2HD2 ASN 11 -10.699 6.514 -2.530 64 HA PRO 12 HA PRO 12 -16.227 9.024 -4.639 65 HB2 PRO 12 HB2 PRO 12 -15.013 10.181 -6.817 66 HB3 PRO 12 HB1 PRO 12 -16.047 11.068 -5.682 67 HG2 PRO 12 HG2 PRO 12 -13.076 11.120 -5.950 68 HG3 PRO 12 HG1 PRO 12 -14.169 12.370 -5.334 69 HD2 PRO 12 HD2 PRO 12 -12.583 10.637 -3.757 70 HD3 PRO 12 HD1 PRO 12 -13.919 11.650 -3.171 71 H CYS 13 H CYS 13 -12.705 8.681 -5.013 72 HA CYS 13 HA CYS 13 -12.638 6.880 -7.172 73 HB2 CYS 13 HB2 CYS 13 -10.693 7.941 -5.761 74 HB3 CYS 13 HB1 CYS 13 -10.814 6.452 -4.811 75 H CYS 14 H CYS 14 -13.821 6.403 -3.962 76 HA CYS 14 HA CYS 14 -14.132 3.493 -4.581 77 HB2 CYS 14 HB2 CYS 14 -14.102 3.132 -2.097 78 HB3 CYS 14 HB1 CYS 14 -12.572 3.735 -2.735 79 H ASP 15 H ASP 15 -16.247 3.130 -5.033 80 HA ASP 15 HA ASP 15 -18.408 4.846 -4.573 81 HB2 ASP 15 HB2 ASP 15 -18.353 2.646 -5.919 82 HB3 ASP 15 HB1 ASP 15 -18.669 1.839 -4.382 83 H ALA 16 H ALA 16 -19.744 5.241 -2.812 84 HA ALA 16 HA ALA 16 -18.753 4.457 -0.187 85 HB1 ALA 16 HB1 ALA 16 -21.328 5.881 -0.924 86 HB2 ALA 16 HB2 ALA 16 -19.786 6.686 -0.635 87 HB3 ALA 16 HB3 ALA 16 -20.589 5.822 0.676 88 H ALA 17 H ALA 17 -21.703 3.767 -2.082 89 HA ALA 17 HA ALA 17 -23.046 2.130 -0.245 90 HB1 ALA 17 HB1 ALA 17 -24.305 1.360 -2.045 91 HB2 ALA 17 HB2 ALA 17 -22.905 1.266 -3.115 92 HB3 ALA 17 HB3 ALA 17 -23.621 2.832 -2.734 93 H THR 18 H THR 18 -20.367 1.304 -2.419 94 HA THR 18 HA THR 18 -20.220 -1.385 -1.136 95 HB THR 18 HB THR 18 -18.884 -2.064 -3.034 96 HG1 THR 18 HG1 THR 18 -18.626 -0.296 -4.694 97 HG21 THR 18 3HG2 THR 18 -20.979 -0.306 -4.284 98 HG22 THR 18 1HG2 THR 18 -21.453 -1.653 -3.249 99 HG23 THR 18 2HG2 THR 18 -20.515 -1.953 -4.713 100 H CYS 19 H CYS 19 -18.868 1.694 -0.981 101 HA CYS 19 HA CYS 19 -16.942 2.544 0.049 102 HB2 CYS 19 HB2 CYS 19 -17.982 0.878 1.800 103 HB3 CYS 19 HB1 CYS 19 -16.580 -0.109 1.409 104 H LYS 20 H LYS 20 -16.778 0.602 -2.403 105 HA LYS 20 HA LYS 20 -13.825 0.139 -2.145 106 HB2 LYS 20 HB2 LYS 20 -15.750 -1.492 -3.827 107 HB3 LYS 20 HB1 LYS 20 -14.031 -1.804 -3.580 108 HG2 LYS 20 HG2 LYS 20 -15.336 -1.572 -1.023 109 HG3 LYS 20 HG1 LYS 20 -16.190 -2.754 -2.012 110 HD2 LYS 20 HD2 LYS 20 -13.195 -2.735 -1.538 111 HD3 LYS 20 HD1 LYS 20 -14.342 -3.793 -0.716 112 HE2 LYS 20 HE2 LYS 20 -14.312 -3.712 -3.716 113 HE3 LYS 20 HE1 LYS 20 -13.087 -4.652 -2.865 114 HZ1 LYS 20 HZ1 LYS 20 -15.303 -5.387 -1.572 115 HZ2 LYS 20 HZ2 LYS 20 -14.659 -6.229 -2.901 116 HZ3 LYS 20 HZ3 LYS 20 -15.932 -5.126 -3.125 117 H LEU 21 H LEU 21 -12.907 -0.173 -4.534 118 HA LEU 21 HA LEU 21 -13.128 2.345 -5.855 119 HB2 LEU 21 HB2 LEU 21 -12.056 -0.336 -6.761 120 HB3 LEU 21 HB1 LEU 21 -11.960 1.111 -7.762 121 HG LEU 21 HG LEU 21 -11.056 1.746 -5.109 122 HD11 LEU 21 1HD1 LEU 21 -10.628 -0.858 -5.364 123 HD12 LEU 21 2HD1 LEU 21 -9.392 0.192 -4.670 124 HD13 LEU 21 3HD1 LEU 21 -9.278 -0.311 -6.357 125 HD21 LEU 21 3HD2 LEU 21 -10.409 2.223 -7.834 126 HD22 LEU 21 1HD2 LEU 21 -8.951 1.602 -7.060 127 HD23 LEU 21 2HD2 LEU 21 -9.750 3.034 -6.413 128 H ARG 22 H ARG 22 -14.828 3.064 -7.051 129 HA ARG 22 HA ARG 22 -16.849 1.181 -8.020 130 HB2 ARG 22 HB2 ARG 22 -17.074 3.715 -7.176 131 HB3 ARG 22 HB1 ARG 22 -16.879 4.028 -8.901 132 HG2 ARG 22 HG2 ARG 22 -18.737 1.827 -8.286 133 HG3 ARG 22 HG1 ARG 22 -19.267 3.406 -7.703 134 HD2 ARG 22 HD2 ARG 22 -18.887 4.349 -9.971 135 HD3 ARG 22 HD1 ARG 22 -18.430 2.746 -10.544 136 HE ARG 22 HE ARG 22 -20.882 2.208 -9.573 137 HH11 ARG 22 1HH2 ARG 22 -21.233 5.287 -9.719 138 HH12 ARG 22 2HH2 ARG 22 -22.068 5.429 -11.230 139 HH21 ARG 22 1HH1 ARG 22 -21.312 2.207 -12.256 140 HH22 ARG 22 2HH1 ARG 22 -22.112 3.687 -12.665 141 HA PRO 23 HA PRO 23 -15.131 2.618 -12.235 142 HB2 PRO 23 HB2 PRO 23 -12.821 4.103 -12.230 143 HB3 PRO 23 HB1 PRO 23 -14.440 4.819 -12.157 144 HG2 PRO 23 HG2 PRO 23 -12.412 4.551 -9.994 145 HG3 PRO 23 HG1 PRO 23 -13.736 5.718 -10.154 146 HD2 PRO 23 HD2 PRO 23 -13.713 3.407 -8.500 147 HD3 PRO 23 HD1 PRO 23 -15.115 4.436 -8.855 148 H GLY 24 H GLY 24 -12.551 2.502 -13.304 149 HA2 GLY 24 HA2 GLY 24 -11.701 -0.186 -12.411 150 HA3 GLY 24 HA1 GLY 24 -11.179 0.624 -13.889 151 H ALA 25 H ALA 25 -11.167 2.241 -10.777 152 HA ALA 25 HA ALA 25 -8.337 2.848 -11.051 153 HB1 ALA 25 HB1 ALA 25 -8.905 3.645 -8.531 154 HB2 ALA 25 HB2 ALA 25 -10.541 3.569 -9.186 155 HB3 ALA 25 HB3 ALA 25 -9.331 4.599 -9.952 156 H GLN 26 H GLN 26 -6.620 2.015 -9.789 157 HA GLN 26 HA GLN 26 -6.961 -0.702 -8.853 158 HB2 GLN 26 HB2 GLN 26 -4.618 1.187 -8.492 159 HB3 GLN 26 HB1 GLN 26 -4.579 -0.558 -8.297 160 HG2 GLN 26 HG2 GLN 26 -5.466 0.717 -10.882 161 HG3 GLN 26 HG1 GLN 26 -3.767 0.371 -10.556 162 HE21 GLN 26 1HE2 GLN 26 -5.307 -0.959 -12.643 163 HE22 GLN 26 2HE2 GLN 26 -5.403 -2.603 -12.233 164 H CYS 27 H CYS 27 -6.197 2.368 -7.188 165 HA CYS 27 HA CYS 27 -7.380 1.176 -4.729 166 HB2 CYS 27 HB2 CYS 27 -5.089 0.875 -4.277 167 HB3 CYS 27 HB1 CYS 27 -4.636 2.384 -5.063 168 H GLY 28 H GLY 28 -8.798 2.564 -3.791 169 HA2 GLY 28 HA2 GLY 28 -9.180 5.214 -4.934 170 HA3 GLY 28 HA1 GLY 28 -10.134 4.506 -3.635 171 H GLU 29 H GLU 29 -7.977 3.879 -1.891 172 HA GLU 29 HA GLU 29 -6.595 6.444 -1.395 173 HB2 GLU 29 HB2 GLU 29 -8.794 6.622 -0.259 174 HB3 GLU 29 HB1 GLU 29 -8.432 5.151 0.639 175 HG2 GLU 29 HG2 GLU 29 -6.274 7.118 0.786 176 HG3 GLU 29 HG1 GLU 29 -7.797 7.734 1.430 177 H GLY 30 H GLY 30 -4.710 6.163 -0.087 178 HA2 GLY 30 HA2 GLY 30 -3.974 4.068 1.555 179 HA3 GLY 30 HA1 GLY 30 -3.660 3.439 -0.062 180 H LEU 31 H LEU 31 -1.500 3.751 1.632 181 HA LEU 31 HA LEU 31 -0.227 6.316 1.501 182 HB2 LEU 31 HB2 LEU 31 0.388 3.762 2.569 183 HB3 LEU 31 HB1 LEU 31 1.718 4.193 1.498 184 HG LEU 31 HG LEU 31 1.986 5.010 3.872 185 HD11 LEU 31 1HD1 LEU 31 1.958 7.573 2.636 186 HD12 LEU 31 2HD1 LEU 31 2.359 6.395 1.387 187 HD13 LEU 31 3HD1 LEU 31 3.335 6.493 2.852 188 HD21 LEU 31 3HD2 LEU 31 -0.674 5.962 3.326 189 HD22 LEU 31 1HD2 LEU 31 0.370 7.341 3.676 190 HD23 LEU 31 2HD2 LEU 31 0.225 6.025 4.843 191 H CYS 32 H CYS 32 -0.318 3.582 -0.725 192 HA CYS 32 HA CYS 32 1.337 5.223 -2.592 193 HB2 CYS 32 HB2 CYS 32 1.300 2.231 -2.168 194 HB3 CYS 32 HB1 CYS 32 2.041 2.992 -3.579 195 H CYS 33 H CYS 33 -1.120 5.887 -2.849 196 HA CYS 33 HA CYS 33 -2.210 4.251 -5.104 197 HB2 CYS 33 HB2 CYS 33 -3.783 5.921 -3.118 198 HB3 CYS 33 HB1 CYS 33 -4.460 4.939 -4.412 199 H GLU 34 H GLU 34 -1.065 5.541 -6.631 200 HA GLU 34 HA GLU 34 -1.623 8.456 -6.627 201 HB2 GLU 34 HB2 GLU 34 0.740 7.492 -6.907 202 HB3 GLU 34 HB1 GLU 34 0.213 6.958 -8.504 203 HG2 GLU 34 HG2 GLU 34 0.146 9.086 -9.344 204 HG3 GLU 34 HG1 GLU 34 -0.378 9.785 -7.812 205 H GLN 35 H GLN 35 -2.999 9.333 -8.107 206 HA GLN 35 HA GLN 35 -4.543 9.421 -9.860 207 HB2 GLN 35 HB2 GLN 35 -2.196 8.273 -10.912 208 HB3 GLN 35 HB1 GLN 35 -3.516 7.250 -11.482 209 HG2 GLN 35 HG2 GLN 35 -4.167 10.096 -11.645 210 HG3 GLN 35 HG1 GLN 35 -2.745 9.677 -12.601 211 HE21 GLN 35 1HE2 GLN 35 -3.029 7.849 -14.202 212 HE22 GLN 35 2HE2 GLN 35 -4.569 7.568 -14.858 213 H CYS 36 H CYS 36 -4.826 7.556 -7.583 214 HA CYS 36 HA CYS 36 -6.327 5.891 -6.903 215 HB2 CYS 36 HB2 CYS 36 -7.424 6.706 -9.576 216 HB3 CYS 36 HB1 CYS 36 -8.052 5.271 -8.785 217 H LYS 37 H LYS 37 -3.857 5.464 -8.810 218 HA LYS 37 HA LYS 37 -4.516 2.657 -9.554 219 HB2 LYS 37 HB2 LYS 37 -2.902 4.776 -10.816 220 HB3 LYS 37 HB1 LYS 37 -2.107 3.202 -10.757 221 HG2 LYS 37 HG2 LYS 37 -3.638 2.219 -12.158 222 HG3 LYS 37 HG1 LYS 37 -4.967 3.229 -11.584 223 HD2 LYS 37 HD2 LYS 37 -4.394 5.011 -12.979 224 HD3 LYS 37 HD1 LYS 37 -2.717 4.484 -13.128 225 HE2 LYS 37 HE2 LYS 37 -4.256 2.362 -14.146 226 HE3 LYS 37 HE1 LYS 37 -4.985 3.826 -14.805 227 HZ1 LYS 37 HZ1 LYS 37 -2.186 2.904 -15.049 228 HZ2 LYS 37 HZ2 LYS 37 -2.628 4.516 -15.351 229 HZ3 LYS 37 HZ3 LYS 37 -3.288 3.261 -16.287 230 H PHE 38 H PHE 38 -2.407 1.243 -9.407 231 HA PHE 38 HA PHE 38 -1.474 1.469 -6.641 232 HB2 PHE 38 HB2 PHE 38 -1.152 -0.540 -8.850 233 HB3 PHE 38 HB1 PHE 38 -0.119 -0.629 -7.421 234 HD1 PHE 38 HD1 PHE 38 -1.971 0.311 -5.302 235 HD2 PHE 38 HD2 PHE 38 -2.642 -2.347 -8.608 236 HE1 PHE 38 HE1 PHE 38 -3.820 -0.768 -4.056 237 HE2 PHE 38 HE2 PHE 38 -4.490 -3.429 -7.361 238 HZ PHE 38 HZ PHE 38 -5.080 -2.641 -5.085 239 H SER 39 H SER 39 0.306 2.635 -6.101 240 HA SER 39 HA SER 39 2.034 3.852 -8.013 241 HB2 SER 39 HB2 SER 39 2.989 3.176 -5.241 242 HB3 SER 39 HB1 SER 39 3.276 4.634 -6.188 243 HG SER 39 HG SER 39 0.752 4.638 -5.979 244 H ARG 40 H ARG 40 4.593 3.319 -7.717 245 HA ARG 40 HA ARG 40 4.819 0.521 -8.626 246 HB2 ARG 40 HB2 ARG 40 6.759 2.848 -8.566 247 HB3 ARG 40 HB1 ARG 40 7.231 1.224 -9.070 248 HG2 ARG 40 HG2 ARG 40 6.239 1.460 -11.086 249 HG3 ARG 40 HG1 ARG 40 4.764 2.104 -10.363 250 HD2 ARG 40 HD2 ARG 40 5.522 4.308 -10.451 251 HD3 ARG 40 HD1 ARG 40 7.219 3.829 -10.475 252 HE ARG 40 HE ARG 40 5.757 2.972 -12.850 253 HH11 ARG 40 1HH1 ARG 40 8.672 3.828 -12.663 254 HH12 ARG 40 2HH1 ARG 40 8.638 5.332 -13.522 255 HH21 ARG 40 1HH2 ARG 40 5.189 5.646 -13.369 256 HH22 ARG 40 2HH2 ARG 40 6.666 6.359 -13.922 257 H ALA 41 H ALA 41 6.452 -0.922 -7.693 258 HA ALA 41 HA ALA 41 6.426 -0.890 -4.801 259 HB1 ALA 41 HB1 ALA 41 6.793 -2.839 -6.690 260 HB2 ALA 41 HB2 ALA 41 7.191 -3.033 -4.983 261 HB3 ALA 41 HB3 ALA 41 8.449 -2.586 -6.136 262 H GLY 42 H GLY 42 8.620 -1.173 -3.601 263 HA2 GLY 42 HA2 GLY 42 10.710 -0.253 -3.019 264 HA3 GLY 42 HA1 GLY 42 10.924 0.176 -4.716 265 H LYS 43 H LYS 43 7.974 1.186 -3.230 266 HA LYS 43 HA LYS 43 8.914 4.004 -3.429 267 HB2 LYS 43 HB2 LYS 43 6.854 3.918 -4.488 268 HB3 LYS 43 HB1 LYS 43 6.242 2.658 -3.426 269 HG2 LYS 43 HG2 LYS 43 5.050 4.680 -2.862 270 HG3 LYS 43 HG1 LYS 43 6.190 4.397 -1.565 271 HD2 LYS 43 HD2 LYS 43 7.475 6.210 -2.105 272 HD3 LYS 43 HD1 LYS 43 7.203 6.014 -3.837 273 HE2 LYS 43 HE2 LYS 43 6.105 8.060 -3.013 274 HE3 LYS 43 HE1 LYS 43 4.909 6.892 -3.575 275 HZ1 LYS 43 HZ1 LYS 43 4.181 7.729 -1.494 276 HZ2 LYS 43 HZ2 LYS 43 5.693 7.454 -0.770 277 HZ3 LYS 43 HZ3 LYS 43 4.716 6.142 -1.229 278 H ILE 44 H ILE 44 9.323 5.226 -1.648 279 HA ILE 44 HA ILE 44 9.328 4.014 0.962 280 HB ILE 44 HB ILE 44 10.058 6.634 -0.206 281 HG12 ILE 44 2HG1 ILE 44 11.658 4.834 0.383 282 HG13 ILE 44 1HG1 ILE 44 11.978 6.308 1.301 283 HG21 ILE 44 1HG2 ILE 44 10.167 7.672 2.112 284 HG22 ILE 44 2HG2 ILE 44 9.099 6.381 2.660 285 HG23 ILE 44 3HG2 ILE 44 8.541 7.528 1.443 286 HD11 ILE 44 3HD1 ILE 44 11.813 5.069 3.177 287 HD12 ILE 44 1HD1 ILE 44 11.223 3.675 2.272 288 HD13 ILE 44 2HD1 ILE 44 10.092 4.908 2.830 289 H CYS 45 H CYS 45 7.496 3.556 2.006 290 HA CYS 45 HA CYS 45 5.127 5.341 1.705 291 HB2 CYS 45 HB2 CYS 45 3.998 3.416 2.990 292 HB3 CYS 45 HB1 CYS 45 4.476 3.104 1.323 293 H ARG 46 H ARG 46 7.622 4.405 3.847 294 HA ARG 46 HA ARG 46 6.737 6.360 5.833 295 HB2 ARG 46 HB2 ARG 46 6.194 3.499 6.195 296 HB3 ARG 46 HB1 ARG 46 7.108 4.206 7.527 297 HG2 ARG 46 HG2 ARG 46 5.360 5.494 8.208 298 HG3 ARG 46 HG1 ARG 46 4.865 5.864 6.555 299 HD2 ARG 46 HD2 ARG 46 3.322 4.219 6.558 300 HD3 ARG 46 HD1 ARG 46 4.483 3.046 7.182 301 HE ARG 46 HE ARG 46 3.204 4.979 9.057 302 HH11 ARG 46 1HH1 ARG 46 1.569 2.547 8.166 303 HH12 ARG 46 2HH1 ARG 46 1.917 1.432 9.444 304 HH21 ARG 46 1HH2 ARG 46 4.650 3.220 10.616 305 HH22 ARG 46 2HH2 ARG 46 3.663 1.813 10.833 306 H ILE 47 H ILE 47 8.321 5.582 7.970 307 HA ILE 47 HA ILE 47 11.045 5.428 6.741 308 HB ILE 47 HB ILE 47 10.442 7.684 7.685 309 HG12 ILE 47 2HG1 ILE 47 12.502 7.550 9.398 310 HG13 ILE 47 1HG1 ILE 47 12.711 5.981 8.619 311 HG21 ILE 47 1HG2 ILE 47 9.184 6.343 9.644 312 HG22 ILE 47 2HG2 ILE 47 9.823 7.969 9.884 313 HG23 ILE 47 3HG2 ILE 47 10.745 6.569 10.434 314 HD11 ILE 47 3HD1 ILE 47 13.990 7.472 7.292 315 HD12 ILE 47 1HD1 ILE 47 12.743 8.719 7.346 316 HD13 ILE 47 2HD1 ILE 47 12.489 7.258 6.391 317 H ALA 48 H ALA 48 12.139 3.645 7.389 318 HA ALA 48 HA ALA 48 11.202 1.670 9.116 319 HB1 ALA 48 HB1 ALA 48 13.804 2.386 7.959 320 HB2 ALA 48 HB2 ALA 48 13.054 0.801 8.140 321 HB3 ALA 48 HB3 ALA 48 13.937 1.517 9.488 322 H ARG 49 H ARG 49 11.749 1.120 11.332 323 HA ARG 49 HA ARG 49 11.791 3.463 13.084 324 HB2 ARG 49 HB2 ARG 49 11.355 0.541 13.379 325 HB3 ARG 49 HB1 ARG 49 12.033 1.365 14.785 326 HG2 ARG 49 HG2 ARG 49 10.167 3.106 14.446 327 HG3 ARG 49 HG1 ARG 49 9.420 1.917 13.378 328 HD2 ARG 49 HD2 ARG 49 8.801 0.578 15.105 329 HD3 ARG 49 HD1 ARG 49 10.327 0.816 15.956 330 HE ARG 49 HE ARG 49 9.401 2.822 16.963 331 HH11 ARG 49 1HH2 ARG 49 7.231 0.936 17.623 332 HH12 ARG 49 2HH2 ARG 49 5.819 1.746 17.033 333 HH21 ARG 49 1HH1 ARG 49 7.593 3.938 15.016 334 HH22 ARG 49 2HH1 ARG 49 6.023 3.445 15.557 335 H GLY 50 H GLY 50 14.001 4.118 12.236 336 HA2 GLY 50 HA2 GLY 50 16.051 4.138 13.930 337 HA3 GLY 50 HA1 GLY 50 16.225 2.491 13.330 338 H ASP 51 H ASP 51 17.173 2.180 11.346 339 HA ASP 51 HA ASP 51 17.283 4.136 9.254 340 HB2 ASP 51 HB2 ASP 51 19.148 4.552 11.373 341 HB3 ASP 51 HB1 ASP 51 20.052 3.966 9.976 342 H TRP 52 H TRP 52 16.606 1.614 8.933 343 HA TRP 52 HA TRP 52 19.025 0.348 7.728 344 HB2 TRP 52 HB2 TRP 52 17.661 -1.861 8.322 345 HB3 TRP 52 HB1 TRP 52 18.747 -1.116 9.490 346 HD1 TRP 52 HD TRP 52 15.093 -0.261 8.490 347 HE1 TRP 52 HE1 TRP 52 13.699 -0.101 10.650 348 HE3 TRP 52 HE3 TRP 52 18.670 -1.442 11.940 349 HZ2 TRP 52 HZ2 TRP 52 14.051 -0.428 13.469 350 HZ3 TRP 52 HZ3 TRP 52 18.112 -1.505 14.354 351 HH2 TRP 52 HH TRP 52 15.810 -1.002 15.122 352 H ASN 53 H ASN 53 16.100 -1.441 7.489 353 HA ASN 53 HA ASN 53 15.955 -0.726 4.625 354 HB2 ASN 53 HB2 ASN 53 14.638 -2.901 6.273 355 HB3 ASN 53 HB1 ASN 53 14.313 -2.649 4.557 356 HD21 ASN 53 1HD2 ASN 53 15.561 -5.061 5.599 357 HD22 ASN 53 2HD2 ASN 53 17.141 -5.126 4.981 358 H ASP 54 H ASP 54 14.860 1.231 4.492 359 HA ASP 54 HA ASP 54 12.682 2.060 6.106 360 HB2 ASP 54 HB2 ASP 54 12.938 2.786 3.187 361 HB3 ASP 54 HB1 ASP 54 12.344 3.782 4.517 362 H ASP 55 H ASP 55 10.380 2.346 5.239 363 HA ASP 55 HA ASP 55 9.391 -0.279 4.393 364 HB2 ASP 55 HB2 ASP 55 7.675 2.181 4.645 365 HB3 ASP 55 HB1 ASP 55 7.264 0.502 5.000 366 H ARG 56 H ARG 56 9.342 -0.796 2.259 367 HA ARG 56 HA ARG 56 8.897 1.415 0.295 368 HB2 ARG 56 HB2 ARG 56 10.139 -1.298 -0.220 369 HB3 ARG 56 HB1 ARG 56 10.075 0.070 -1.330 370 HG2 ARG 56 HG2 ARG 56 11.274 0.670 1.301 371 HG3 ARG 56 HG1 ARG 56 12.194 -0.460 0.308 372 HD2 ARG 56 HD2 ARG 56 12.192 1.126 -1.556 373 HD3 ARG 56 HD1 ARG 56 11.191 2.244 -0.630 374 HE ARG 56 HE ARG 56 13.407 1.847 0.984 375 HH11 ARG 56 1HH2 ARG 56 12.867 2.731 -2.311 376 HH12 ARG 56 2HH2 ARG 56 14.263 3.750 -2.400 377 HH21 ARG 56 1HH1 ARG 56 15.214 3.194 0.886 378 HH22 ARG 56 2HH1 ARG 56 15.591 4.012 -0.593 379 H CYS 57 H CYS 57 6.956 1.385 -0.722 380 HA CYS 57 HA CYS 57 4.961 -0.572 -0.246 381 HB2 CYS 57 HB2 CYS 57 5.335 1.559 -2.314 382 HB3 CYS 57 HB1 CYS 57 4.048 0.377 -2.533 383 H THR 58 H THR 58 4.276 -2.354 -1.450 384 HA THR 58 HA THR 58 6.319 -3.764 -2.933 385 HB THR 58 HB THR 58 4.217 -5.290 -3.406 386 HG1 THR 58 HG1 THR 58 2.819 -4.849 -1.453 387 HG21 THR 58 3HG2 THR 58 5.737 -4.811 -0.874 388 HG22 THR 58 1HG2 THR 58 5.769 -6.208 -1.950 389 HG23 THR 58 2HG2 THR 58 4.408 -5.971 -0.854 390 H GLY 59 H GLY 59 4.061 -1.385 -3.777 391 HA2 GLY 59 HA2 GLY 59 4.135 -0.406 -6.009 392 HA3 GLY 59 HA1 GLY 59 4.502 -2.003 -6.658 393 H GLN 60 H GLN 60 2.658 -3.668 -6.161 394 HA GLN 60 HA GLN 60 0.184 -2.469 -7.186 395 HB2 GLN 60 HB2 GLN 60 -0.598 -4.872 -7.199 396 HB3 GLN 60 HB1 GLN 60 0.856 -4.574 -8.153 397 HG2 GLN 60 HG2 GLN 60 1.976 -6.086 -6.924 398 HG3 GLN 60 HG1 GLN 60 1.668 -5.132 -5.472 399 HE21 GLN 60 1HE2 GLN 60 0.878 -8.070 -7.100 400 HE22 GLN 60 2HE2 GLN 60 -0.364 -8.572 -6.057 401 H SER 61 H SER 61 1.458 -2.921 -4.116 402 HA SER 61 HA SER 61 -1.198 -3.470 -2.891 403 HB2 SER 61 HB2 SER 61 1.456 -3.114 -1.483 404 HB3 SER 61 HB1 SER 61 -0.013 -3.832 -0.831 405 HG SER 61 HG SER 61 0.309 -5.285 -2.817 406 H ALA 62 H ALA 62 -2.423 -1.634 -2.711 407 HA ALA 62 HA ALA 62 -1.391 1.025 -2.605 408 HB1 ALA 62 HB1 ALA 62 -3.638 1.053 -3.133 409 HB2 ALA 62 HB2 ALA 62 -3.754 1.379 -1.404 410 HB3 ALA 62 HB3 ALA 62 -4.028 -0.254 -2.015 411 H ASP 63 H ASP 63 -2.392 -1.214 -0.021 412 HA ASP 63 HA ASP 63 -1.655 0.694 2.070 413 HB2 ASP 63 HB2 ASP 63 -3.157 -1.705 1.938 414 HB3 ASP 63 HB1 ASP 63 -1.795 -2.032 3.010 415 H CYS 64 H CYS 64 0.478 1.129 2.324 416 HA CYS 64 HA CYS 64 2.641 -0.325 1.347 417 HB2 CYS 64 HB2 CYS 64 3.120 1.833 2.147 418 HB3 CYS 64 HB1 CYS 64 2.377 1.533 3.708 419 HA PRO 65 HA PRO 65 2.527 -3.947 3.858 420 HB2 PRO 65 HB2 PRO 65 4.611 -5.135 2.538 421 HB3 PRO 65 HB1 PRO 65 2.963 -5.117 1.914 422 HG2 PRO 65 HG2 PRO 65 5.344 -3.594 1.010 423 HG3 PRO 65 HG1 PRO 65 3.876 -4.020 0.114 424 HD2 PRO 65 HD2 PRO 65 4.476 -1.496 1.260 425 HD3 PRO 65 HD1 PRO 65 2.915 -2.007 0.586 426 H ARG 66 H ARG 66 4.049 -5.004 5.376 427 HA ARG 66 HA ARG 66 5.899 -3.105 6.585 428 HB2 ARG 66 HB2 ARG 66 4.679 -4.557 8.068 429 HB3 ARG 66 HB1 ARG 66 5.222 -5.993 7.199 430 HG2 ARG 66 HG2 ARG 66 7.326 -4.173 8.269 431 HG3 ARG 66 HG1 ARG 66 6.436 -5.153 9.435 432 HD2 ARG 66 HD2 ARG 66 6.937 -7.028 7.547 433 HD3 ARG 66 HD1 ARG 66 8.347 -5.994 7.326 434 HE ARG 66 HE ARG 66 8.536 -6.286 9.942 435 HH11 ARG 66 1HH2 ARG 66 6.379 -8.385 9.972 436 HH12 ARG 66 2HH2 ARG 66 7.303 -9.846 9.871 437 HH21 ARG 66 1HH1 ARG 66 10.193 -8.259 8.801 438 HH22 ARG 66 2HH1 ARG 66 9.461 -9.776 9.209 439 H ASN 67 H ASN 67 7.823 -2.760 5.561 440 HA ASN 67 HA ASN 67 9.180 -5.066 4.260 441 HB2 ASN 67 HB2 ASN 67 8.784 -2.655 3.222 442 HB3 ASN 67 HB1 ASN 67 10.247 -2.271 4.132 443 HD21 ASN 67 1HD2 ASN 67 9.166 -3.497 1.168 444 HD22 ASN 67 2HD2 ASN 67 10.595 -4.272 0.680 445 H GLY 68 H GLY 68 9.089 -3.861 7.264 446 HA2 GLY 68 HA2 GLY 68 11.848 -3.377 7.900 447 HA3 GLY 68 HA1 GLY 68 10.599 -3.821 9.063 448 H LEU 69 H LEU 69 13.287 -4.849 9.094 449 HA LEU 69 HA LEU 69 13.096 -7.599 8.036 450 HB2 LEU 69 HB2 LEU 69 15.398 -7.783 9.156 451 HB3 LEU 69 HB1 LEU 69 15.269 -6.647 7.812 452 HG LEU 69 HG LEU 69 14.575 -5.453 10.400 453 HD11 LEU 69 1HD1 LEU 69 16.685 -5.530 11.441 454 HD12 LEU 69 2HD1 LEU 69 17.491 -6.086 9.974 455 HD13 LEU 69 3HD1 LEU 69 16.456 -7.187 10.883 456 HD21 LEU 69 3HD2 LEU 69 15.839 -4.795 7.854 457 HD22 LEU 69 1HD2 LEU 69 16.732 -4.125 9.219 458 HD23 LEU 69 2HD2 LEU 69 15.027 -3.733 9.003 459 H TYR 70 H TYR 70 11.456 -6.403 10.380 460 HA TYR 70 HA TYR 70 11.734 -8.793 12.091 461 HB2 TYR 70 HB2 TYR 70 11.652 -7.249 14.151 462 HB3 TYR 70 HB1 TYR 70 13.198 -7.375 13.311 463 HD1 TYR 70 HD1 TYR 70 10.132 -5.285 13.643 464 HD2 TYR 70 HD2 TYR 70 14.203 -5.480 12.287 465 HE1 TYR 70 HE1 TYR 70 10.117 -2.837 13.245 466 HE2 TYR 70 HE2 TYR 70 14.188 -3.033 11.889 467 HH TYR 70 HH TYR 70 11.963 -1.269 11.387 468 H GLY 71 H GLY 71 9.811 -9.188 13.340 469 HA2 GLY 71 HA2 GLY 71 7.444 -7.724 12.281 470 HA3 GLY 71 HA1 GLY 71 7.406 -9.330 13.010 Start of MODEL 15 1 H GLY 1 HT1 GLY 1 -19.806 -10.669 5.085 2 HA2 GLY 1 HA1 GLY 1 -19.913 -9.751 2.627 3 HA3 GLY 1 HA2 GLY 1 -20.528 -8.834 4.001 4 H LYS 2 H LYS 2 -17.916 -9.116 1.683 5 HA LYS 2 HA LYS 2 -16.623 -6.678 2.795 6 HB2 LYS 2 HB2 LYS 2 -15.709 -8.489 0.539 7 HB3 LYS 2 HB1 LYS 2 -14.765 -7.208 1.302 8 HG2 LYS 2 HG2 LYS 2 -15.355 -8.569 3.511 9 HG3 LYS 2 HG1 LYS 2 -15.515 -9.902 2.368 10 HD2 LYS 2 HD2 LYS 2 -13.206 -8.963 1.460 11 HD3 LYS 2 HD1 LYS 2 -13.085 -8.310 3.094 12 HE2 LYS 2 HE2 LYS 2 -13.752 -10.716 3.849 13 HE3 LYS 2 HE1 LYS 2 -13.256 -11.186 2.224 14 HZ1 LYS 2 HZ1 LYS 2 -11.104 -10.170 2.620 15 HZ2 LYS 2 HZ2 LYS 2 -11.427 -11.356 3.791 16 HZ3 LYS 2 HZ3 LYS 2 -11.581 -9.709 4.181 17 H GLU 3 H GLU 3 -17.877 -4.959 2.087 18 HA GLU 3 HA GLU 3 -18.156 -4.683 -0.879 19 HB2 GLU 3 HB2 GLU 3 -20.258 -4.974 0.940 20 HB3 GLU 3 HB1 GLU 3 -20.187 -3.239 0.630 21 HG2 GLU 3 HG2 GLU 3 -20.449 -3.546 -1.719 22 HG3 GLU 3 HG1 GLU 3 -20.136 -5.279 -1.601 23 H CYS 4 H CYS 4 -16.528 -3.536 1.662 24 HA CYS 4 HA CYS 4 -16.583 -0.731 0.609 25 HB2 CYS 4 HB2 CYS 4 -16.307 -1.696 3.470 26 HB3 CYS 4 HB1 CYS 4 -15.958 -0.044 2.971 27 H ASP 5 H ASP 5 -14.773 -0.917 -0.688 28 HA ASP 5 HA ASP 5 -12.320 -2.170 0.353 29 HB2 ASP 5 HB2 ASP 5 -13.411 -1.932 -2.171 30 HB3 ASP 5 HB1 ASP 5 -12.148 -0.700 -2.190 31 H CYS 6 H CYS 6 -13.689 0.723 0.934 32 HA CYS 6 HA CYS 6 -11.043 1.988 1.367 33 HB2 CYS 6 HB2 CYS 6 -11.787 4.117 0.381 34 HB3 CYS 6 HB1 CYS 6 -11.823 2.833 -0.827 35 H SER 7 H SER 7 -11.242 3.882 2.864 36 HA SER 7 HA SER 7 -13.573 3.497 4.696 37 HB2 SER 7 HB2 SER 7 -10.770 3.533 5.187 38 HB3 SER 7 HB1 SER 7 -11.445 4.985 5.921 39 HG SER 7 HG SER 7 -11.469 2.726 7.024 40 H SER 8 H SER 8 -12.350 5.602 2.404 41 HA SER 8 HA SER 8 -13.466 7.997 3.790 42 HB2 SER 8 HB2 SER 8 -12.203 8.462 1.196 43 HB3 SER 8 HB1 SER 8 -11.873 9.215 2.753 44 HG SER 8 HG SER 8 -10.284 7.868 3.039 45 HA PRO 9 HA PRO 9 -16.853 7.158 0.919 46 HB2 PRO 9 HB2 PRO 9 -18.715 8.529 2.402 47 HB3 PRO 9 HB1 PRO 9 -18.244 6.853 2.731 48 HG2 PRO 9 HG2 PRO 9 -17.532 9.326 4.229 49 HG3 PRO 9 HG1 PRO 9 -17.608 7.652 4.800 50 HD2 PRO 9 HD2 PRO 9 -15.252 9.093 4.127 51 HD3 PRO 9 HD1 PRO 9 -15.368 7.348 4.442 52 H GLU 10 H GLU 10 -14.893 9.520 0.801 53 HA GLU 10 HA GLU 10 -16.654 11.278 -0.780 54 HB2 GLU 10 HB2 GLU 10 -16.114 11.997 1.827 55 HB3 GLU 10 HB1 GLU 10 -14.823 12.813 0.942 56 HG2 GLU 10 HG2 GLU 10 -16.668 13.618 -0.664 57 HG3 GLU 10 HG1 GLU 10 -17.808 13.104 0.579 58 H ASN 11 H ASN 11 -14.254 9.373 -0.948 59 HA ASN 11 HA ASN 11 -12.236 11.226 -2.096 60 HB2 ASN 11 HB2 ASN 11 -10.762 9.263 -2.114 61 HB3 ASN 11 HB1 ASN 11 -11.470 9.467 -0.515 62 HD21 ASN 11 1HD2 ASN 11 -10.513 6.914 -1.507 63 HD22 ASN 11 2HD2 ASN 11 -11.852 5.881 -1.640 64 HA PRO 12 HA PRO 12 -13.636 10.212 -6.152 65 HB2 PRO 12 HB2 PRO 12 -11.439 11.133 -7.521 66 HB3 PRO 12 HB1 PRO 12 -12.671 12.194 -6.816 67 HG2 PRO 12 HG2 PRO 12 -9.903 11.638 -5.858 68 HG3 PRO 12 HG1 PRO 12 -10.911 13.073 -5.604 69 HD2 PRO 12 HD2 PRO 12 -10.456 11.003 -3.721 70 HD3 PRO 12 HD1 PRO 12 -11.697 12.270 -3.606 71 H CYS 13 H CYS 13 -12.495 7.953 -4.755 72 HA CYS 13 HA CYS 13 -11.059 6.654 -7.027 73 HB2 CYS 13 HB2 CYS 13 -10.465 6.284 -4.073 74 HB3 CYS 13 HB1 CYS 13 -9.705 5.391 -5.388 75 H CYS 14 H CYS 14 -12.945 6.134 -4.041 76 HA CYS 14 HA CYS 14 -14.056 3.669 -5.322 77 HB2 CYS 14 HB2 CYS 14 -14.396 2.756 -3.114 78 HB3 CYS 14 HB1 CYS 14 -12.731 3.336 -3.194 79 H ASP 15 H ASP 15 -16.339 3.274 -4.948 80 HA ASP 15 HA ASP 15 -17.936 5.713 -5.050 81 HB2 ASP 15 HB2 ASP 15 -18.388 3.532 -6.323 82 HB3 ASP 15 HB1 ASP 15 -18.958 2.881 -4.784 83 H ALA 16 H ALA 16 -19.229 6.533 -3.407 84 HA ALA 16 HA ALA 16 -18.653 5.680 -0.689 85 HB1 ALA 16 HB1 ALA 16 -19.653 7.642 -0.065 86 HB2 ALA 16 HB2 ALA 16 -21.001 7.426 -1.181 87 HB3 ALA 16 HB3 ALA 16 -19.456 8.039 -1.772 88 H ALA 17 H ALA 17 -21.359 5.313 -2.940 89 HA ALA 17 HA ALA 17 -23.204 4.156 -1.070 90 HB1 ALA 17 HB1 ALA 17 -23.181 4.786 -3.829 91 HB2 ALA 17 HB2 ALA 17 -24.552 4.222 -2.873 92 HB3 ALA 17 HB3 ALA 17 -23.531 3.061 -3.722 93 H THR 18 H THR 18 -20.751 2.740 -3.217 94 HA THR 18 HA THR 18 -21.252 0.097 -1.916 95 HB THR 18 HB THR 18 -20.164 -0.907 -3.856 96 HG1 THR 18 HG1 THR 18 -18.980 0.241 -5.157 97 HG21 THR 18 3HG2 THR 18 -22.444 -0.635 -4.308 98 HG22 THR 18 1HG2 THR 18 -21.690 0.163 -5.688 99 HG23 THR 18 2HG2 THR 18 -22.325 1.124 -4.352 100 H CYS 19 H CYS 19 -19.431 2.649 -1.336 101 HA CYS 19 HA CYS 19 -17.175 3.043 -0.699 102 HB2 CYS 19 HB2 CYS 19 -16.595 1.236 1.135 103 HB3 CYS 19 HB1 CYS 19 -17.838 2.439 1.423 104 H LYS 20 H LYS 20 -17.191 1.563 -3.152 105 HA LYS 20 HA LYS 20 -14.666 0.030 -2.725 106 HB2 LYS 20 HB2 LYS 20 -17.013 -0.883 -4.412 107 HB3 LYS 20 HB1 LYS 20 -15.422 -1.646 -4.405 108 HG2 LYS 20 HG2 LYS 20 -16.252 -1.383 -1.693 109 HG3 LYS 20 HG1 LYS 20 -17.602 -2.074 -2.595 110 HD2 LYS 20 HD2 LYS 20 -14.755 -3.105 -2.750 111 HD3 LYS 20 HD1 LYS 20 -16.005 -3.803 -1.719 112 HE2 LYS 20 HE2 LYS 20 -16.088 -3.578 -4.742 113 HE3 LYS 20 HE1 LYS 20 -15.889 -5.061 -3.808 114 HZ1 LYS 20 HZ1 LYS 20 -18.135 -5.038 -4.264 115 HZ2 LYS 20 HZ2 LYS 20 -18.274 -3.354 -4.091 116 HZ3 LYS 20 HZ3 LYS 20 -18.089 -4.339 -2.720 117 H LEU 21 H LEU 21 -13.567 -0.343 -4.952 118 HA LEU 21 HA LEU 21 -13.137 2.188 -6.186 119 HB2 LEU 21 HB2 LEU 21 -12.477 -0.638 -7.022 120 HB3 LEU 21 HB1 LEU 21 -12.042 0.750 -8.021 121 HG LEU 21 HG LEU 21 -11.220 1.517 -5.487 122 HD11 LEU 21 1HD1 LEU 21 -11.666 -1.096 -5.100 123 HD12 LEU 21 2HD1 LEU 21 -10.306 -0.266 -4.344 124 HD13 LEU 21 3HD1 LEU 21 -10.057 -1.213 -5.810 125 HD21 LEU 21 3HD2 LEU 21 -10.156 1.323 -7.985 126 HD22 LEU 21 1HD2 LEU 21 -9.234 0.073 -7.149 127 HD23 LEU 21 2HD2 LEU 21 -9.210 1.733 -6.555 128 H ARG 22 H ARG 22 -14.537 3.267 -7.464 129 HA ARG 22 HA ARG 22 -16.679 1.802 -8.843 130 HB2 ARG 22 HB2 ARG 22 -17.620 3.738 -8.064 131 HB3 ARG 22 HB1 ARG 22 -16.115 4.640 -8.157 132 HG2 ARG 22 HG2 ARG 22 -17.693 5.516 -9.806 133 HG3 ARG 22 HG1 ARG 22 -16.360 4.719 -10.644 134 HD2 ARG 22 HD2 ARG 22 -17.810 2.623 -10.689 135 HD3 ARG 22 HD1 ARG 22 -19.147 3.643 -10.159 136 HE ARG 22 HE ARG 22 -17.654 4.192 -12.694 137 HH11 ARG 22 1HH1 ARG 22 -20.221 5.220 -10.850 138 HH12 ARG 22 2HH1 ARG 22 -21.415 5.103 -12.099 139 HH21 ARG 22 1HH2 ARG 22 -19.322 3.444 -14.309 140 HH22 ARG 22 2HH2 ARG 22 -20.906 4.098 -14.058 141 HA PRO 23 HA PRO 23 -14.386 3.541 -12.643 142 HB2 PRO 23 HB2 PRO 23 -11.978 4.801 -12.236 143 HB3 PRO 23 HB1 PRO 23 -13.538 5.644 -12.240 144 HG2 PRO 23 HG2 PRO 23 -11.788 4.952 -9.932 145 HG3 PRO 23 HG1 PRO 23 -12.982 6.252 -10.085 146 HD2 PRO 23 HD2 PRO 23 -13.343 3.793 -8.716 147 HD3 PRO 23 HD1 PRO 23 -14.610 4.973 -9.112 148 H GLY 24 H GLY 24 -11.784 3.290 -13.529 149 HA2 GLY 24 HA2 GLY 24 -11.240 0.456 -12.957 150 HA3 GLY 24 HA1 GLY 24 -10.464 1.427 -14.208 151 H ALA 25 H ALA 25 -10.754 2.037 -10.708 152 HA ALA 25 HA ALA 25 -7.853 2.575 -10.612 153 HB1 ALA 25 HB1 ALA 25 -10.213 3.161 -8.902 154 HB2 ALA 25 HB2 ALA 25 -8.832 4.182 -9.302 155 HB3 ALA 25 HB3 ALA 25 -8.678 2.935 -8.063 156 H GLN 26 H GLN 26 -6.484 1.513 -9.005 157 HA GLN 26 HA GLN 26 -7.250 -1.328 -8.635 158 HB2 GLN 26 HB2 GLN 26 -4.774 0.121 -9.044 159 HB3 GLN 26 HB1 GLN 26 -4.666 -0.887 -7.600 160 HG2 GLN 26 HG2 GLN 26 -4.229 -2.597 -9.016 161 HG3 GLN 26 HG1 GLN 26 -5.947 -2.541 -9.414 162 HE21 GLN 26 1HE2 GLN 26 -6.339 -2.325 -11.613 163 HE22 GLN 26 2HE2 GLN 26 -5.298 -1.576 -12.726 164 H CYS 27 H CYS 27 -7.030 1.603 -6.857 165 HA CYS 27 HA CYS 27 -7.814 0.179 -4.399 166 HB2 CYS 27 HB2 CYS 27 -6.046 1.447 -3.084 167 HB3 CYS 27 HB1 CYS 27 -5.424 0.151 -4.103 168 H GLY 28 H GLY 28 -8.463 1.787 -2.691 169 HA2 GLY 28 HA2 GLY 28 -9.570 4.231 -3.984 170 HA3 GLY 28 HA1 GLY 28 -10.247 3.463 -2.555 171 H GLU 29 H GLU 29 -7.940 3.089 -1.060 172 HA GLU 29 HA GLU 29 -6.626 5.728 -0.869 173 HB2 GLU 29 HB2 GLU 29 -7.254 5.949 1.497 174 HB3 GLU 29 HB1 GLU 29 -8.679 5.942 0.470 175 HG2 GLU 29 HG2 GLU 29 -9.426 3.963 1.296 176 HG3 GLU 29 HG1 GLU 29 -7.804 3.273 1.369 177 H GLY 30 H GLY 30 -4.686 5.633 0.452 178 HA2 GLY 30 HA2 GLY 30 -3.714 3.654 2.076 179 HA3 GLY 30 HA1 GLY 30 -3.474 2.966 0.470 180 H LEU 31 H LEU 31 -1.184 3.319 1.747 181 HA LEU 31 HA LEU 31 -0.072 5.999 1.435 182 HB2 LEU 31 HB2 LEU 31 0.676 3.625 2.775 183 HB3 LEU 31 HB1 LEU 31 1.942 3.932 1.586 184 HG LEU 31 HG LEU 31 2.491 5.094 3.658 185 HD11 LEU 31 1HD1 LEU 31 1.451 7.098 1.636 186 HD12 LEU 31 2HD1 LEU 31 2.947 6.189 1.433 187 HD13 LEU 31 3HD1 LEU 31 2.781 7.327 2.770 188 HD21 LEU 31 3HD2 LEU 31 -0.192 6.467 3.296 189 HD22 LEU 31 1HD2 LEU 31 0.984 6.822 4.561 190 HD23 LEU 31 2HD2 LEU 31 0.174 5.255 4.525 191 H CYS 32 H CYS 32 0.585 2.862 -0.165 192 HA CYS 32 HA CYS 32 2.001 4.253 -2.335 193 HB2 CYS 32 HB2 CYS 32 2.800 2.057 -1.496 194 HB3 CYS 32 HB1 CYS 32 1.290 1.322 -2.035 195 H CYS 33 H CYS 33 -0.390 5.338 -2.548 196 HA CYS 33 HA CYS 33 -1.476 4.069 -4.972 197 HB2 CYS 33 HB2 CYS 33 -2.913 4.181 -2.380 198 HB3 CYS 33 HB1 CYS 33 -3.845 4.651 -3.803 199 H GLU 34 H GLU 34 -1.421 5.704 -6.395 200 HA GLU 34 HA GLU 34 -2.276 8.414 -5.458 201 HB2 GLU 34 HB2 GLU 34 -0.298 7.806 -7.674 202 HB3 GLU 34 HB1 GLU 34 -0.687 9.390 -7.003 203 HG2 GLU 34 HG2 GLU 34 0.557 9.048 -5.104 204 HG3 GLU 34 HG1 GLU 34 0.235 7.314 -5.080 205 H GLN 35 H GLN 35 -3.840 9.416 -6.708 206 HA GLN 35 HA GLN 35 -5.458 9.671 -8.391 207 HB2 GLN 35 HB2 GLN 35 -3.158 8.401 -9.746 208 HB3 GLN 35 HB1 GLN 35 -4.712 8.155 -10.544 209 HG2 GLN 35 HG2 GLN 35 -4.540 10.886 -9.671 210 HG3 GLN 35 HG1 GLN 35 -3.088 10.487 -10.590 211 HE21 GLN 35 1HE2 GLN 35 -6.143 11.694 -11.023 212 HE22 GLN 35 2HE2 GLN 35 -6.430 11.185 -12.618 213 H CYS 36 H CYS 36 -5.221 7.216 -6.507 214 HA CYS 36 HA CYS 36 -6.733 5.473 -6.026 215 HB2 CYS 36 HB2 CYS 36 -8.006 5.833 -8.732 216 HB3 CYS 36 HB1 CYS 36 -8.745 5.285 -7.225 217 H LYS 37 H LYS 37 -4.177 5.013 -7.238 218 HA LYS 37 HA LYS 37 -4.747 2.385 -8.480 219 HB2 LYS 37 HB2 LYS 37 -3.729 4.699 -9.934 220 HB3 LYS 37 HB1 LYS 37 -2.609 3.337 -10.001 221 HG2 LYS 37 HG2 LYS 37 -4.525 1.868 -10.681 222 HG3 LYS 37 HG1 LYS 37 -5.542 3.306 -10.762 223 HD2 LYS 37 HD2 LYS 37 -3.417 4.121 -12.254 224 HD3 LYS 37 HD1 LYS 37 -3.418 2.393 -12.610 225 HE2 LYS 37 HE2 LYS 37 -6.084 2.958 -12.790 226 HE3 LYS 37 HE1 LYS 37 -5.381 4.471 -13.361 227 HZ1 LYS 37 HZ1 LYS 37 -3.871 2.617 -14.603 228 HZ2 LYS 37 HZ2 LYS 37 -5.206 3.406 -15.298 229 HZ3 LYS 37 HZ3 LYS 37 -5.392 1.870 -14.597 230 H PHE 38 H PHE 38 -2.605 1.110 -8.669 231 HA PHE 38 HA PHE 38 -1.185 1.382 -6.130 232 HB2 PHE 38 HB2 PHE 38 -0.868 -0.506 -8.477 233 HB3 PHE 38 HB1 PHE 38 0.163 -0.571 -7.052 234 HD1 PHE 38 HD2 PHE 38 -1.557 -0.097 -4.809 235 HD2 PHE 38 HD1 PHE 38 -2.395 -2.269 -8.419 236 HE1 PHE 38 HE2 PHE 38 -3.271 -1.431 -3.612 237 HE2 PHE 38 HE1 PHE 38 -4.108 -3.601 -7.221 238 HZ PHE 38 HZ PHE 38 -4.548 -3.179 -4.816 239 H SER 39 H SER 39 0.609 2.624 -5.843 240 HA SER 39 HA SER 39 1.860 4.031 -8.022 241 HB2 SER 39 HB2 SER 39 3.442 3.657 -5.543 242 HB3 SER 39 HB1 SER 39 3.002 5.141 -6.385 243 HG SER 39 HG SER 39 1.058 5.132 -5.392 244 H ARG 40 H ARG 40 4.659 3.442 -6.926 245 HA ARG 40 HA ARG 40 5.010 0.846 -8.371 246 HB2 ARG 40 HB2 ARG 40 7.001 3.124 -8.125 247 HB3 ARG 40 HB1 ARG 40 7.204 1.652 -9.077 248 HG2 ARG 40 HG2 ARG 40 5.490 2.271 -10.602 249 HG3 ARG 40 HG1 ARG 40 4.877 3.527 -9.526 250 HD2 ARG 40 HD2 ARG 40 7.088 4.716 -9.792 251 HD3 ARG 40 HD1 ARG 40 7.506 3.533 -11.033 252 HE ARG 40 HE ARG 40 5.404 5.616 -11.270 253 HH11 ARG 40 1HH2 ARG 40 7.758 5.262 -13.154 254 HH12 ARG 40 2HH2 ARG 40 6.998 4.504 -14.512 255 HH21 ARG 40 1HH1 ARG 40 4.141 3.620 -12.760 256 HH22 ARG 40 2HH1 ARG 40 4.952 3.574 -14.289 257 H ALA 41 H ALA 41 6.637 -0.596 -7.512 258 HA ALA 41 HA ALA 41 6.741 -0.640 -4.625 259 HB1 ALA 41 HB1 ALA 41 7.862 -2.701 -4.852 260 HB2 ALA 41 HB2 ALA 41 8.573 -2.247 -6.401 261 HB3 ALA 41 HB3 ALA 41 6.857 -2.630 -6.298 262 H GLY 42 H GLY 42 8.854 -0.809 -3.422 263 HA2 GLY 42 HA2 GLY 42 10.946 0.094 -2.830 264 HA3 GLY 42 HA1 GLY 42 11.233 0.381 -4.549 265 H LYS 43 H LYS 43 8.316 1.570 -3.073 266 HA LYS 43 HA LYS 43 9.435 4.340 -3.405 267 HB2 LYS 43 HB2 LYS 43 7.578 4.515 -4.704 268 HB3 LYS 43 HB1 LYS 43 6.813 3.117 -3.971 269 HG2 LYS 43 HG2 LYS 43 6.106 4.464 -2.054 270 HG3 LYS 43 HG1 LYS 43 6.955 5.865 -2.705 271 HD2 LYS 43 HD2 LYS 43 5.460 5.340 -4.841 272 HD3 LYS 43 HD1 LYS 43 4.416 4.591 -3.632 273 HE2 LYS 43 HE2 LYS 43 3.630 6.792 -3.637 274 HE3 LYS 43 HE1 LYS 43 4.798 6.832 -2.316 275 HZ1 LYS 43 HZ1 LYS 43 4.792 8.434 -4.540 276 HZ2 LYS 43 HZ2 LYS 43 6.040 7.317 -4.831 277 HZ3 LYS 43 HZ3 LYS 43 6.057 8.266 -3.422 278 H ILE 44 H ILE 44 9.635 5.643 -1.627 279 HA ILE 44 HA ILE 44 9.426 4.568 0.987 280 HB ILE 44 HB ILE 44 9.870 7.273 -0.177 281 HG12 ILE 44 2HG1 ILE 44 11.715 5.751 0.351 282 HG13 ILE 44 1HG1 ILE 44 11.780 7.163 1.408 283 HG21 ILE 44 1HG2 ILE 44 8.988 6.842 2.696 284 HG22 ILE 44 2HG2 ILE 44 8.204 7.869 1.496 285 HG23 ILE 44 3HG2 ILE 44 9.797 8.299 2.119 286 HD11 ILE 44 3HD1 ILE 44 10.223 5.601 2.931 287 HD12 ILE 44 1HD1 ILE 44 11.983 5.524 3.015 288 HD13 ILE 44 2HD1 ILE 44 11.093 4.336 2.063 289 H CYS 45 H CYS 45 7.738 4.193 2.215 290 HA CYS 45 HA CYS 45 5.160 5.570 1.598 291 HB2 CYS 45 HB2 CYS 45 4.233 3.459 2.846 292 HB3 CYS 45 HB1 CYS 45 4.702 3.329 1.152 293 H ARG 46 H ARG 46 7.552 4.803 3.980 294 HA ARG 46 HA ARG 46 6.305 6.668 5.831 295 HB2 ARG 46 HB2 ARG 46 5.414 4.095 6.075 296 HB3 ARG 46 HB1 ARG 46 6.780 4.093 7.191 297 HG2 ARG 46 HG2 ARG 46 5.825 5.672 8.586 298 HG3 ARG 46 HG1 ARG 46 4.892 6.411 7.284 299 HD2 ARG 46 HD2 ARG 46 3.877 3.836 7.388 300 HD3 ARG 46 HD1 ARG 46 4.161 4.219 9.085 301 HE ARG 46 HE ARG 46 2.334 5.709 7.271 302 HH11 ARG 46 1HH2 ARG 46 1.250 4.343 9.659 303 HH12 ARG 46 2HH2 ARG 46 1.177 5.615 10.830 304 HH21 ARG 46 1HH1 ARG 46 3.317 7.708 9.085 305 HH22 ARG 46 2HH1 ARG 46 2.345 7.519 10.506 306 H ILE 47 H ILE 47 7.756 7.344 7.480 307 HA ILE 47 HA ILE 47 10.580 6.712 6.884 308 HB ILE 47 HB ILE 47 9.692 9.082 7.248 309 HG12 ILE 47 2HG1 ILE 47 11.685 9.664 8.762 310 HG13 ILE 47 1HG1 ILE 47 11.992 7.928 8.837 311 HG21 ILE 47 1HG2 ILE 47 8.861 9.728 9.270 312 HG22 ILE 47 2HG2 ILE 47 9.997 8.721 10.167 313 HG23 ILE 47 3HG2 ILE 47 8.539 8.007 9.480 314 HD11 ILE 47 3HD1 ILE 47 11.743 8.146 6.189 315 HD12 ILE 47 1HD1 ILE 47 13.282 8.449 6.996 316 HD13 ILE 47 2HD1 ILE 47 12.250 9.800 6.525 317 H ALA 48 H ALA 48 11.887 5.537 8.255 318 HA ALA 48 HA ALA 48 10.619 3.949 10.326 319 HB1 ALA 48 HB1 ALA 48 13.015 3.840 8.815 320 HB2 ALA 48 HB2 ALA 48 12.405 2.634 9.948 321 HB3 ALA 48 HB3 ALA 48 13.492 3.903 10.512 322 H ARG 49 H ARG 49 10.500 4.394 12.482 323 HA ARG 49 HA ARG 49 11.348 6.981 13.472 324 HB2 ARG 49 HB2 ARG 49 10.544 4.618 15.178 325 HB3 ARG 49 HB1 ARG 49 10.350 6.333 15.536 326 HG2 ARG 49 HG2 ARG 49 8.409 6.466 14.379 327 HG3 ARG 49 HG1 ARG 49 9.054 5.532 13.029 328 HD2 ARG 49 HD2 ARG 49 8.809 3.469 14.516 329 HD3 ARG 49 HD1 ARG 49 7.865 4.484 15.607 330 HE ARG 49 HE ARG 49 6.800 4.754 12.976 331 HH11 ARG 49 1HH2 ARG 49 5.250 4.083 15.496 332 HH12 ARG 49 2HH2 ARG 49 4.654 2.501 15.122 333 HH21 ARG 49 1HH1 ARG 49 6.859 2.003 12.492 334 HH22 ARG 49 2HH1 ARG 49 5.565 1.323 13.421 335 H GLY 50 H GLY 50 13.639 7.032 13.204 336 HA2 GLY 50 HA2 GLY 50 15.424 6.727 15.103 337 HA3 GLY 50 HA1 GLY 50 15.189 5.015 14.752 338 H ASP 51 H ASP 51 16.513 4.159 13.222 339 HA ASP 51 HA ASP 51 17.341 5.692 10.879 340 HB2 ASP 51 HB2 ASP 51 19.010 5.668 13.245 341 HB3 ASP 51 HB1 ASP 51 19.829 4.859 11.909 342 H TRP 52 H TRP 52 15.929 3.340 10.972 343 HA TRP 52 HA TRP 52 17.969 1.262 10.287 344 HB2 TRP 52 HB2 TRP 52 15.400 0.066 10.498 345 HB3 TRP 52 HB1 TRP 52 16.778 -0.154 11.571 346 HD1 TRP 52 HD TRP 52 13.540 1.823 11.198 347 HE1 TRP 52 HE1 TRP 52 12.939 2.876 13.472 348 HE3 TRP 52 HE3 TRP 52 17.773 0.715 13.829 349 HZ2 TRP 52 HZ2 TRP 52 14.101 3.208 16.065 350 HZ3 TRP 52 HZ3 TRP 52 18.001 1.414 16.196 351 HH2 TRP 52 HH TRP 52 16.173 2.657 17.316 352 H ASN 53 H ASN 53 16.347 -0.447 8.814 353 HA ASN 53 HA ASN 53 16.439 0.645 6.221 354 HB2 ASN 53 HB2 ASN 53 14.481 -1.486 7.120 355 HB3 ASN 53 HB1 ASN 53 15.166 -1.270 5.508 356 HD21 ASN 53 1HD2 ASN 53 15.972 -3.568 5.783 357 HD22 ASN 53 2HD2 ASN 53 17.407 -3.829 6.654 358 H ASP 54 H ASP 54 14.745 1.425 4.819 359 HA ASP 54 HA ASP 54 12.545 2.766 6.323 360 HB2 ASP 54 HB2 ASP 54 13.678 3.359 3.571 361 HB3 ASP 54 HB1 ASP 54 12.409 4.283 4.376 362 H ASP 55 H ASP 55 10.390 2.491 5.643 363 HA ASP 55 HA ASP 55 9.769 0.006 4.318 364 HB2 ASP 55 HB2 ASP 55 7.778 2.244 4.603 365 HB3 ASP 55 HB1 ASP 55 7.527 0.506 4.777 366 H ARG 56 H ARG 56 8.921 -0.319 2.214 367 HA ARG 56 HA ARG 56 8.959 2.041 0.394 368 HB2 ARG 56 HB2 ARG 56 10.326 -0.614 -0.104 369 HB3 ARG 56 HB1 ARG 56 10.137 0.666 -1.302 370 HG2 ARG 56 HG2 ARG 56 11.216 2.070 0.771 371 HG3 ARG 56 HG1 ARG 56 11.986 0.499 0.996 372 HD2 ARG 56 HD2 ARG 56 12.752 0.514 -1.333 373 HD3 ARG 56 HD1 ARG 56 11.941 2.056 -1.605 374 HE ARG 56 HE ARG 56 13.585 2.707 0.449 375 HH11 ARG 56 1HH1 ARG 56 13.941 2.137 -2.817 376 HH12 ARG 56 2HH1 ARG 56 15.667 1.995 -2.796 377 HH21 ARG 56 1HH2 ARG 56 15.885 1.983 0.666 378 HH22 ARG 56 2HH2 ARG 56 16.770 1.909 -0.822 379 H CYS 57 H CYS 57 7.404 1.957 -1.235 380 HA CYS 57 HA CYS 57 5.079 0.432 -0.904 381 HB2 CYS 57 HB2 CYS 57 5.097 2.323 -2.444 382 HB3 CYS 57 HB1 CYS 57 6.280 1.509 -3.464 383 H THR 58 H THR 58 4.447 -1.583 -1.588 384 HA THR 58 HA THR 58 6.499 -3.536 -2.176 385 HB THR 58 HB THR 58 4.644 -5.132 -2.213 386 HG1 THR 58 HG1 THR 58 3.191 -2.754 -2.490 387 HG21 THR 58 3HG2 THR 58 5.211 -4.726 0.000 388 HG22 THR 58 1HG2 THR 58 3.505 -4.275 0.004 389 HG23 THR 58 2HG2 THR 58 4.747 -3.025 -0.089 390 H GLY 59 H GLY 59 3.950 -1.944 -4.067 391 HA2 GLY 59 HA2 GLY 59 4.586 -1.519 -6.478 392 HA3 GLY 59 HA1 GLY 59 5.136 -3.196 -6.514 393 H GLN 60 H GLN 60 3.060 -4.438 -5.131 394 HA GLN 60 HA GLN 60 0.753 -3.944 -6.965 395 HB2 GLN 60 HB2 GLN 60 1.224 -6.579 -5.598 396 HB3 GLN 60 HB1 GLN 60 0.389 -6.245 -7.116 397 HG2 GLN 60 HG2 GLN 60 2.487 -5.746 -8.228 398 HG3 GLN 60 HG1 GLN 60 3.370 -5.879 -6.707 399 HE21 GLN 60 1HE2 GLN 60 1.933 -7.708 -9.332 400 HE22 GLN 60 2HE2 GLN 60 2.415 -9.241 -8.784 401 H SER 61 H SER 61 1.710 -3.421 -3.878 402 HA SER 61 HA SER 61 -1.060 -3.864 -2.828 403 HB2 SER 61 HB2 SER 61 0.813 -5.295 -1.805 404 HB3 SER 61 HB1 SER 61 1.435 -3.795 -1.121 405 HG SER 61 HG SER 61 0.064 -4.412 0.405 406 H ALA 62 H ALA 62 -1.984 -2.112 -1.725 407 HA ALA 62 HA ALA 62 -0.599 0.475 -2.091 408 HB1 ALA 62 HB1 ALA 62 -2.731 1.490 -1.575 409 HB2 ALA 62 HB2 ALA 62 -3.371 -0.044 -0.984 410 HB3 ALA 62 HB3 ALA 62 -3.025 0.166 -2.700 411 H ASP 63 H ASP 63 -1.553 -1.734 0.459 412 HA ASP 63 HA ASP 63 -1.052 0.197 2.596 413 HB2 ASP 63 HB2 ASP 63 -1.103 -1.956 4.018 414 HB3 ASP 63 HB1 ASP 63 -2.584 -1.510 3.179 415 H CYS 64 H CYS 64 1.012 0.878 2.854 416 HA CYS 64 HA CYS 64 3.304 -0.534 1.964 417 HB2 CYS 64 HB2 CYS 64 3.497 1.818 2.349 418 HB3 CYS 64 HB1 CYS 64 2.970 1.660 4.021 419 HA PRO 65 HA PRO 65 3.661 -3.605 5.041 420 HB2 PRO 65 HB2 PRO 65 6.141 -4.452 4.256 421 HB3 PRO 65 HB1 PRO 65 4.658 -4.892 3.411 422 HG2 PRO 65 HG2 PRO 65 6.791 -2.969 2.627 423 HG3 PRO 65 HG1 PRO 65 5.666 -3.878 1.605 424 HD2 PRO 65 HD2 PRO 65 5.431 -1.157 2.290 425 HD3 PRO 65 HD1 PRO 65 4.154 -2.167 1.584 426 H ARG 66 H ARG 66 4.929 -4.020 6.967 427 HA ARG 66 HA ARG 66 6.235 -1.649 8.057 428 HB2 ARG 66 HB2 ARG 66 4.788 -3.394 9.317 429 HB3 ARG 66 HB1 ARG 66 6.244 -4.389 9.325 430 HG2 ARG 66 HG2 ARG 66 6.646 -3.260 11.276 431 HG3 ARG 66 HG1 ARG 66 7.296 -2.047 10.171 432 HD2 ARG 66 HD2 ARG 66 5.705 -1.066 11.817 433 HD3 ARG 66 HD1 ARG 66 5.153 -0.869 10.153 434 HE ARG 66 HE ARG 66 4.061 -3.292 11.210 435 HH11 ARG 66 1HH1 ARG 66 3.682 0.096 10.902 436 HH12 ARG 66 2HH1 ARG 66 2.125 0.137 11.660 437 HH21 ARG 66 1HH2 ARG 66 2.124 -3.240 12.448 438 HH22 ARG 66 2HH2 ARG 66 1.243 -1.751 12.535 439 H ASN 67 H ASN 67 8.325 -1.197 7.542 440 HA ASN 67 HA ASN 67 10.213 -3.503 7.259 441 HB2 ASN 67 HB2 ASN 67 9.545 -1.530 5.347 442 HB3 ASN 67 HB1 ASN 67 11.159 -1.119 5.931 443 HD21 ASN 67 1HD2 ASN 67 10.217 -2.408 3.301 444 HD22 ASN 67 2HD2 ASN 67 11.154 -3.818 3.173 445 H GLY 68 H GLY 68 9.375 -1.269 9.393 446 HA2 GLY 68 HA2 GLY 68 11.895 0.085 9.908 447 HA3 GLY 68 HA1 GLY 68 10.509 0.034 10.999 448 H LEU 69 H LEU 69 12.057 -0.373 12.753 449 HA LEU 69 HA LEU 69 13.324 -3.066 12.685 450 HB2 LEU 69 HB2 LEU 69 14.772 -1.176 13.332 451 HB3 LEU 69 HB1 LEU 69 13.668 -0.776 14.648 452 HG LEU 69 HG LEU 69 14.375 -3.577 14.761 453 HD11 LEU 69 1HD1 LEU 69 16.612 -3.592 14.478 454 HD12 LEU 69 2HD1 LEU 69 16.806 -2.160 15.488 455 HD13 LEU 69 3HD1 LEU 69 16.462 -1.985 13.767 456 HD21 LEU 69 3HD2 LEU 69 13.717 -1.521 16.480 457 HD22 LEU 69 1HD2 LEU 69 15.435 -1.745 16.807 458 HD23 LEU 69 2HD2 LEU 69 14.318 -3.100 16.983 459 H TYR 70 H TYR 70 10.375 -2.135 13.285 460 HA TYR 70 HA TYR 70 10.106 -3.878 15.694 461 HB2 TYR 70 HB2 TYR 70 8.309 -1.502 15.215 462 HB3 TYR 70 HB1 TYR 70 8.549 -2.413 16.706 463 HD1 TYR 70 HD2 TYR 70 10.580 -2.113 18.059 464 HD2 TYR 70 HD1 TYR 70 9.910 0.182 14.491 465 HE1 TYR 70 HE2 TYR 70 12.380 -0.545 18.730 466 HE2 TYR 70 HE1 TYR 70 11.711 1.750 15.161 467 HH TYR 70 HH TYR 70 13.350 1.432 18.292 468 H GLY 71 H GLY 71 7.311 -3.880 15.798 469 HA2 GLY 71 HA2 GLY 71 6.163 -4.381 13.176 470 HA3 GLY 71 HA1 GLY 71 6.545 -5.877 14.030 Start of MODEL 16 1 H GLY 1 HT1 GLY 1 -21.841 -9.398 2.618 2 HA2 GLY 1 HA1 GLY 1 -19.827 -10.546 4.369 3 HA3 GLY 1 HA2 GLY 1 -19.516 -10.669 2.636 4 H LYS 2 H LYS 2 -17.941 -9.034 4.322 5 HA LYS 2 HA LYS 2 -18.824 -6.291 4.310 6 HB2 LYS 2 HB2 LYS 2 -16.190 -7.683 4.686 7 HB3 LYS 2 HB1 LYS 2 -16.218 -5.933 4.463 8 HG2 LYS 2 HG2 LYS 2 -16.321 -6.613 6.872 9 HG3 LYS 2 HG1 LYS 2 -17.719 -5.666 6.360 10 HD2 LYS 2 HD2 LYS 2 -19.039 -7.708 6.075 11 HD3 LYS 2 HD1 LYS 2 -17.638 -8.695 6.496 12 HE2 LYS 2 HE2 LYS 2 -18.225 -6.618 8.486 13 HE3 LYS 2 HE1 LYS 2 -19.535 -7.782 8.287 14 HZ1 LYS 2 HZ1 LYS 2 -17.404 -8.196 9.833 15 HZ2 LYS 2 HZ2 LYS 2 -16.867 -8.909 8.387 16 HZ3 LYS 2 HZ3 LYS 2 -18.303 -9.445 9.119 17 H GLU 3 H GLU 3 -17.545 -4.588 3.014 18 HA GLU 3 HA GLU 3 -16.318 -5.263 0.515 19 HB2 GLU 3 HB2 GLU 3 -19.247 -5.220 0.570 20 HB3 GLU 3 HB1 GLU 3 -18.566 -4.104 -0.615 21 HG2 GLU 3 HG2 GLU 3 -17.731 -5.784 -1.912 22 HG3 GLU 3 HG1 GLU 3 -17.289 -6.772 -0.519 23 H CYS 4 H CYS 4 -15.468 -3.500 2.316 24 HA CYS 4 HA CYS 4 -16.141 -0.847 1.102 25 HB2 CYS 4 HB2 CYS 4 -15.538 -1.535 3.992 26 HB3 CYS 4 HB1 CYS 4 -15.558 0.115 3.375 27 H ASP 5 H ASP 5 -14.414 -0.813 -0.312 28 HA ASP 5 HA ASP 5 -11.732 -1.623 0.419 29 HB2 ASP 5 HB2 ASP 5 -12.911 -1.370 -1.947 30 HB3 ASP 5 HB1 ASP 5 -12.261 0.266 -1.850 31 H CYS 6 H CYS 6 -13.515 1.393 0.576 32 HA CYS 6 HA CYS 6 -11.002 2.817 1.315 33 HB2 CYS 6 HB2 CYS 6 -12.519 4.874 1.157 34 HB3 CYS 6 HB1 CYS 6 -12.177 4.037 -0.357 35 H SER 7 H SER 7 -11.031 4.167 3.252 36 HA SER 7 HA SER 7 -12.579 2.888 5.417 37 HB2 SER 7 HB2 SER 7 -11.052 4.916 6.548 38 HB3 SER 7 HB1 SER 7 -10.587 3.222 6.428 39 HG SER 7 HG SER 7 -9.078 3.887 5.137 40 H SER 8 H SER 8 -12.832 5.629 3.407 41 HA SER 8 HA SER 8 -14.731 6.867 5.356 42 HB2 SER 8 HB2 SER 8 -12.966 8.201 3.288 43 HB3 SER 8 HB1 SER 8 -14.237 9.035 4.177 44 HG SER 8 HG SER 8 -11.871 8.887 4.981 45 HA PRO 9 HA PRO 9 -17.670 6.057 2.134 46 HB2 PRO 9 HB2 PRO 9 -19.788 7.324 3.344 47 HB3 PRO 9 HB1 PRO 9 -19.209 5.717 3.817 48 HG2 PRO 9 HG2 PRO 9 -18.861 8.323 5.221 49 HG3 PRO 9 HG1 PRO 9 -18.870 6.682 5.888 50 HD2 PRO 9 HD2 PRO 9 -16.571 8.263 5.386 51 HD3 PRO 9 HD1 PRO 9 -16.588 6.525 5.755 52 H GLU 10 H GLU 10 -16.137 8.898 2.655 53 HA GLU 10 HA GLU 10 -17.963 10.489 0.908 54 HB2 GLU 10 HB2 GLU 10 -16.361 11.149 3.201 55 HB3 GLU 10 HB1 GLU 10 -15.777 12.068 1.812 56 HG2 GLU 10 HG2 GLU 10 -17.491 13.434 2.670 57 HG3 GLU 10 HG1 GLU 10 -18.292 12.559 1.363 58 H ASN 11 H ASN 11 -15.560 8.388 0.487 59 HA ASN 11 HA ASN 11 -13.869 9.984 -1.316 60 HB2 ASN 11 HB2 ASN 11 -13.328 7.829 0.234 61 HB3 ASN 11 HB1 ASN 11 -13.668 7.023 -1.297 62 HD21 ASN 11 1HD2 ASN 11 -11.114 8.175 0.418 63 HD22 ASN 11 2HD2 ASN 11 -10.089 8.649 -0.850 64 HA PRO 12 HA PRO 12 -16.560 8.998 -4.725 65 HB2 PRO 12 HB2 PRO 12 -15.045 10.264 -6.641 66 HB3 PRO 12 HB1 PRO 12 -16.125 11.117 -5.523 67 HG2 PRO 12 HG2 PRO 12 -13.147 10.949 -5.495 68 HG3 PRO 12 HG1 PRO 12 -14.205 12.219 -4.860 69 HD2 PRO 12 HD2 PRO 12 -12.922 10.218 -3.328 70 HD3 PRO 12 HD1 PRO 12 -14.238 11.274 -2.772 71 H CYS 13 H CYS 13 -13.083 8.359 -4.689 72 HA CYS 13 HA CYS 13 -12.870 6.779 -7.030 73 HB2 CYS 13 HB2 CYS 13 -11.027 7.573 -5.373 74 HB3 CYS 13 HB1 CYS 13 -11.403 6.095 -4.485 75 H CYS 14 H CYS 14 -14.036 5.975 -3.793 76 HA CYS 14 HA CYS 14 -14.633 3.218 -4.770 77 HB2 CYS 14 HB2 CYS 14 -14.686 2.525 -2.459 78 HB3 CYS 14 HB1 CYS 14 -13.216 3.472 -2.691 79 H ASP 15 H ASP 15 -16.736 2.704 -5.105 80 HA ASP 15 HA ASP 15 -18.862 4.529 -5.056 81 HB2 ASP 15 HB2 ASP 15 -18.727 2.094 -6.000 82 HB3 ASP 15 HB1 ASP 15 -19.303 1.624 -4.399 83 H ALA 16 H ALA 16 -20.182 5.310 -3.433 84 HA ALA 16 HA ALA 16 -19.418 4.841 -0.676 85 HB1 ALA 16 HB1 ALA 16 -20.264 7.006 -1.112 86 HB2 ALA 16 HB2 ALA 16 -21.579 6.203 -0.255 87 HB3 ALA 16 HB3 ALA 16 -21.648 6.377 -2.009 88 H ALA 17 H ALA 17 -22.133 3.806 -2.729 89 HA ALA 17 HA ALA 17 -23.640 2.510 -0.678 90 HB1 ALA 17 HB1 ALA 17 -23.710 2.708 -3.551 91 HB2 ALA 17 HB2 ALA 17 -25.014 2.269 -2.447 92 HB3 ALA 17 HB3 ALA 17 -23.936 1.024 -3.078 93 H THR 18 H THR 18 -21.076 1.304 -2.839 94 HA THR 18 HA THR 18 -21.004 -1.203 -1.221 95 HB THR 18 HB THR 18 -20.181 -2.311 -3.081 96 HG1 THR 18 HG1 THR 18 -19.074 -1.123 -4.758 97 HG21 THR 18 3HG2 THR 18 -21.558 0.047 -4.394 98 HG22 THR 18 1HG2 THR 18 -22.403 -1.296 -3.624 99 HG23 THR 18 2HG2 THR 18 -21.405 -1.582 -5.049 100 H CYS 19 H CYS 19 -19.707 1.677 -0.939 101 HA CYS 19 HA CYS 19 -17.557 2.567 -0.447 102 HB2 CYS 19 HB2 CYS 19 -16.567 1.111 1.508 103 HB3 CYS 19 HB1 CYS 19 -18.039 2.031 1.748 104 H LYS 20 H LYS 20 -17.393 0.729 -2.727 105 HA LYS 20 HA LYS 20 -14.583 -0.178 -2.243 106 HB2 LYS 20 HB2 LYS 20 -16.764 -1.666 -3.729 107 HB3 LYS 20 HB1 LYS 20 -15.050 -2.064 -3.856 108 HG2 LYS 20 HG2 LYS 20 -15.781 -1.815 -1.073 109 HG3 LYS 20 HG1 LYS 20 -16.860 -2.955 -1.873 110 HD2 LYS 20 HD2 LYS 20 -13.834 -3.039 -1.818 111 HD3 LYS 20 HD1 LYS 20 -14.947 -4.199 -1.095 112 HE2 LYS 20 HE2 LYS 20 -15.716 -4.032 -3.792 113 HE3 LYS 20 HE1 LYS 20 -13.953 -4.080 -3.817 114 HZ1 LYS 20 HZ1 LYS 20 -14.222 -5.978 -2.151 115 HZ2 LYS 20 HZ2 LYS 20 -14.571 -6.299 -3.783 116 HZ3 LYS 20 HZ3 LYS 20 -15.834 -6.046 -2.675 117 H LEU 21 H LEU 21 -13.464 -0.556 -4.462 118 HA LEU 21 HA LEU 21 -13.468 1.900 -5.898 119 HB2 LEU 21 HB2 LEU 21 -12.357 -0.841 -6.488 120 HB3 LEU 21 HB1 LEU 21 -12.195 0.476 -7.650 121 HG LEU 21 HG LEU 21 -11.497 1.462 -5.050 122 HD11 LEU 21 1HD1 LEU 21 -11.063 -1.158 -4.913 123 HD12 LEU 21 2HD1 LEU 21 -9.900 -0.010 -4.250 124 HD13 LEU 21 3HD1 LEU 21 -9.622 -0.732 -5.835 125 HD21 LEU 21 3HD2 LEU 21 -10.589 1.489 -7.765 126 HD22 LEU 21 1HD2 LEU 21 -9.218 1.091 -6.729 127 HD23 LEU 21 2HD2 LEU 21 -10.132 2.575 -6.453 128 H ARG 22 H ARG 22 -15.243 2.585 -7.008 129 HA ARG 22 HA ARG 22 -17.025 0.687 -8.341 130 HB2 ARG 22 HB2 ARG 22 -17.446 3.141 -7.268 131 HB3 ARG 22 HB1 ARG 22 -17.259 3.574 -8.967 132 HG2 ARG 22 HG2 ARG 22 -18.876 1.249 -8.905 133 HG3 ARG 22 HG1 ARG 22 -19.512 2.340 -7.674 134 HD2 ARG 22 HD2 ARG 22 -19.101 4.124 -9.648 135 HD3 ARG 22 HD1 ARG 22 -19.387 2.685 -10.626 136 HE ARG 22 HE ARG 22 -21.419 2.803 -8.646 137 HH11 ARG 22 1HH1 ARG 22 -20.370 5.398 -10.475 138 HH12 ARG 22 2HH1 ARG 22 -21.863 5.642 -11.318 139 HH21 ARG 22 1HH2 ARG 22 -23.317 2.727 -10.130 140 HH22 ARG 22 2HH2 ARG 22 -23.532 4.130 -11.122 141 HA PRO 23 HA PRO 23 -15.118 2.721 -12.217 142 HB2 PRO 23 HB2 PRO 23 -12.963 4.384 -11.859 143 HB3 PRO 23 HB1 PRO 23 -14.642 4.948 -11.852 144 HG2 PRO 23 HG2 PRO 23 -12.773 4.608 -9.560 145 HG3 PRO 23 HG1 PRO 23 -14.177 5.677 -9.713 146 HD2 PRO 23 HD2 PRO 23 -14.083 3.210 -8.308 147 HD3 PRO 23 HD1 PRO 23 -15.540 4.151 -8.686 148 H GLY 24 H GLY 24 -12.707 2.689 -13.310 149 HA2 GLY 24 HA2 GLY 24 -11.571 0.112 -12.496 150 HA3 GLY 24 HA1 GLY 24 -11.073 1.070 -13.892 151 H ALA 25 H ALA 25 -11.135 1.540 -10.337 152 HA ALA 25 HA ALA 25 -8.409 2.735 -10.562 153 HB1 ALA 25 HB1 ALA 25 -9.225 3.247 -7.999 154 HB2 ALA 25 HB2 ALA 25 -10.767 3.242 -8.853 155 HB3 ALA 25 HB3 ALA 25 -9.484 4.344 -9.354 156 H GLN 26 H GLN 26 -6.727 1.935 -9.204 157 HA GLN 26 HA GLN 26 -7.061 -0.861 -8.401 158 HB2 GLN 26 HB2 GLN 26 -4.828 1.012 -8.832 159 HB3 GLN 26 HB1 GLN 26 -4.579 -0.101 -7.487 160 HG2 GLN 26 HG2 GLN 26 -4.578 -1.966 -8.846 161 HG3 GLN 26 HG1 GLN 26 -5.659 -1.233 -10.031 162 HE21 GLN 26 1HE2 GLN 26 -3.119 -2.542 -10.688 163 HE22 GLN 26 2HE2 GLN 26 -2.108 -1.356 -11.362 164 H CYS 27 H CYS 27 -7.168 2.250 -6.863 165 HA CYS 27 HA CYS 27 -8.041 1.063 -4.378 166 HB2 CYS 27 HB2 CYS 27 -6.094 0.879 -3.256 167 HB3 CYS 27 HB1 CYS 27 -5.225 1.348 -4.706 168 H GLY 28 H GLY 28 -8.768 2.705 -2.862 169 HA2 GLY 28 HA2 GLY 28 -9.371 5.268 -4.221 170 HA3 GLY 28 HA1 GLY 28 -10.178 4.660 -2.779 171 H GLU 29 H GLU 29 -7.740 3.931 -1.428 172 HA GLU 29 HA GLU 29 -6.257 6.466 -1.156 173 HB2 GLU 29 HB2 GLU 29 -6.736 6.686 1.188 174 HB3 GLU 29 HB1 GLU 29 -8.274 6.574 0.349 175 HG2 GLU 29 HG2 GLU 29 -8.655 4.373 1.064 176 HG3 GLU 29 HG1 GLU 29 -6.952 4.091 1.423 177 H GLY 30 H GLY 30 -4.286 6.149 0.190 178 HA2 GLY 30 HA2 GLY 30 -3.390 3.868 1.441 179 HA3 GLY 30 HA1 GLY 30 -3.158 3.494 -0.262 180 H LEU 31 H LEU 31 -0.987 3.716 1.539 181 HA LEU 31 HA LEU 31 0.237 6.296 1.573 182 HB2 LEU 31 HB2 LEU 31 0.914 3.729 2.468 183 HB3 LEU 31 HB1 LEU 31 2.170 4.136 1.301 184 HG LEU 31 HG LEU 31 2.841 4.932 3.503 185 HD11 LEU 31 1HD1 LEU 31 3.647 6.408 1.875 186 HD12 LEU 31 2HD1 LEU 31 2.763 7.497 2.945 187 HD13 LEU 31 3HD1 LEU 31 2.031 6.960 1.433 188 HD21 LEU 31 3HD2 LEU 31 0.204 6.436 3.439 189 HD22 LEU 31 1HD2 LEU 31 1.454 6.644 4.666 190 HD23 LEU 31 2HD2 LEU 31 0.613 5.101 4.517 191 H CYS 32 H CYS 32 0.027 3.827 -0.901 192 HA CYS 32 HA CYS 32 1.539 5.651 -2.717 193 HB2 CYS 32 HB2 CYS 32 1.679 2.629 -2.602 194 HB3 CYS 32 HB1 CYS 32 2.435 3.624 -3.849 195 H CYS 33 H CYS 33 -0.703 6.380 -3.197 196 HA CYS 33 HA CYS 33 -1.865 4.663 -5.324 197 HB2 CYS 33 HB2 CYS 33 -3.193 5.573 -2.820 198 HB3 CYS 33 HB1 CYS 33 -4.148 5.650 -4.298 199 H GLU 34 H GLU 34 -0.953 6.155 -6.817 200 HA GLU 34 HA GLU 34 -1.751 8.991 -6.637 201 HB2 GLU 34 HB2 GLU 34 -0.176 7.602 -8.827 202 HB3 GLU 34 HB1 GLU 34 -0.258 9.334 -8.510 203 HG2 GLU 34 HG2 GLU 34 0.736 7.419 -6.404 204 HG3 GLU 34 HG1 GLU 34 1.821 8.048 -7.646 205 H GLN 35 H GLN 35 -3.680 9.573 -7.493 206 HA GLN 35 HA GLN 35 -5.551 9.573 -8.898 207 HB2 GLN 35 HB2 GLN 35 -3.381 9.328 -10.570 208 HB3 GLN 35 HB1 GLN 35 -4.329 7.904 -10.997 209 HG2 GLN 35 HG2 GLN 35 -6.339 9.393 -11.238 210 HG3 GLN 35 HG1 GLN 35 -5.278 10.782 -10.996 211 HE21 GLN 35 1HE2 GLN 35 -3.124 10.464 -12.520 212 HE22 GLN 35 2HE2 GLN 35 -3.497 10.120 -14.140 213 H CYS 36 H CYS 36 -5.231 7.513 -6.938 214 HA CYS 36 HA CYS 36 -6.250 5.497 -6.320 215 HB2 CYS 36 HB2 CYS 36 -7.720 6.120 -8.887 216 HB3 CYS 36 HB1 CYS 36 -8.070 4.681 -7.931 217 H LYS 37 H LYS 37 -3.931 5.757 -8.437 218 HA LYS 37 HA LYS 37 -4.127 3.004 -9.557 219 HB2 LYS 37 HB2 LYS 37 -3.156 5.438 -10.604 220 HB3 LYS 37 HB1 LYS 37 -1.732 4.439 -10.313 221 HG2 LYS 37 HG2 LYS 37 -2.401 2.803 -11.807 222 HG3 LYS 37 HG1 LYS 37 -4.114 3.169 -11.603 223 HD2 LYS 37 HD2 LYS 37 -3.580 5.429 -12.723 224 HD3 LYS 37 HD1 LYS 37 -2.061 4.680 -13.218 225 HE2 LYS 37 HE2 LYS 37 -3.079 3.288 -14.719 226 HE3 LYS 37 HE1 LYS 37 -4.509 3.077 -13.706 227 HZ1 LYS 37 HZ1 LYS 37 -5.517 4.874 -14.588 228 HZ2 LYS 37 HZ2 LYS 37 -4.514 4.527 -15.915 229 HZ3 LYS 37 HZ3 LYS 37 -4.073 5.736 -14.805 230 H PHE 38 H PHE 38 -2.320 1.544 -9.257 231 HA PHE 38 HA PHE 38 -1.155 1.726 -6.585 232 HB2 PHE 38 HB2 PHE 38 -1.113 -0.280 -8.817 233 HB3 PHE 38 HB1 PHE 38 0.091 -0.400 -7.537 234 HD1 PHE 38 HD1 PHE 38 -1.361 0.470 -5.156 235 HD2 PHE 38 HD2 PHE 38 -2.682 -1.975 -8.430 236 HE1 PHE 38 HE1 PHE 38 -3.032 -0.610 -3.675 237 HE2 PHE 38 HE2 PHE 38 -4.354 -3.054 -6.951 238 HZ PHE 38 HZ PHE 38 -4.530 -2.371 -4.573 239 H SER 39 H SER 39 0.770 2.727 -6.150 240 HA SER 39 HA SER 39 2.367 3.917 -8.209 241 HB2 SER 39 HB2 SER 39 3.405 3.228 -5.450 242 HB3 SER 39 HB1 SER 39 3.846 4.589 -6.478 243 HG SER 39 HG SER 39 2.390 5.551 -5.274 244 H ARG 40 H ARG 40 4.875 2.658 -6.625 245 HA ARG 40 HA ARG 40 4.881 0.064 -8.075 246 HB2 ARG 40 HB2 ARG 40 6.615 2.423 -8.617 247 HB3 ARG 40 HB1 ARG 40 7.404 0.845 -8.610 248 HG2 ARG 40 HG2 ARG 40 5.586 0.036 -10.175 249 HG3 ARG 40 HG1 ARG 40 5.048 1.711 -10.305 250 HD2 ARG 40 HD2 ARG 40 7.187 2.393 -11.210 251 HD3 ARG 40 HD1 ARG 40 7.872 0.794 -10.918 252 HE ARG 40 HE ARG 40 6.085 -0.005 -12.610 253 HH11 ARG 40 1HH1 ARG 40 4.897 2.662 -13.159 254 HH12 ARG 40 2HH1 ARG 40 5.764 3.181 -14.565 255 HH21 ARG 40 1HH2 ARG 40 8.320 0.871 -14.167 256 HH22 ARG 40 2HH2 ARG 40 7.702 2.167 -15.136 257 H ALA 41 H ALA 41 6.682 -1.341 -7.342 258 HA ALA 41 HA ALA 41 6.980 -1.273 -4.475 259 HB1 ALA 41 HB1 ALA 41 7.149 -3.248 -6.348 260 HB2 ALA 41 HB2 ALA 41 7.780 -3.401 -4.708 261 HB3 ALA 41 HB3 ALA 41 8.858 -2.954 -6.030 262 H GLY 42 H GLY 42 9.224 -1.320 -3.428 263 HA2 GLY 42 HA2 GLY 42 11.330 -0.287 -3.106 264 HA3 GLY 42 HA1 GLY 42 11.422 -0.083 -4.857 265 H LYS 43 H LYS 43 8.616 0.982 -3.094 266 HA LYS 43 HA LYS 43 9.437 3.803 -3.689 267 HB2 LYS 43 HB2 LYS 43 7.490 3.367 -4.928 268 HB3 LYS 43 HB1 LYS 43 6.780 2.388 -3.651 269 HG2 LYS 43 HG2 LYS 43 5.663 4.198 -2.936 270 HG3 LYS 43 HG1 LYS 43 7.185 4.977 -2.559 271 HD2 LYS 43 HD2 LYS 43 6.933 5.162 -5.352 272 HD3 LYS 43 HD1 LYS 43 5.338 5.551 -4.706 273 HE2 LYS 43 HE2 LYS 43 6.744 7.575 -4.872 274 HE3 LYS 43 HE1 LYS 43 6.350 7.213 -3.192 275 HZ1 LYS 43 HZ1 LYS 43 8.497 7.071 -2.745 276 HZ2 LYS 43 HZ2 LYS 43 8.875 7.447 -4.357 277 HZ3 LYS 43 HZ3 LYS 43 8.683 5.827 -3.884 278 H ILE 44 H ILE 44 9.828 5.085 -1.975 279 HA ILE 44 HA ILE 44 9.693 4.159 0.714 280 HB ILE 44 HB ILE 44 10.262 6.738 -0.653 281 HG12 ILE 44 2HG1 ILE 44 12.006 5.109 -0.028 282 HG13 ILE 44 1HG1 ILE 44 12.220 6.627 0.849 283 HG21 ILE 44 1HG2 ILE 44 10.368 7.866 1.649 284 HG22 ILE 44 2HG2 ILE 44 9.311 6.573 2.217 285 HG23 ILE 44 3HG2 ILE 44 8.760 7.671 0.952 286 HD11 ILE 44 3HD1 ILE 44 11.941 4.045 1.959 287 HD12 ILE 44 1HD1 ILE 44 10.434 4.892 2.310 288 HD13 ILE 44 2HD1 ILE 44 11.974 5.583 2.823 289 H CYS 45 H CYS 45 8.002 3.951 2.014 290 HA CYS 45 HA CYS 45 5.523 5.505 1.393 291 HB2 CYS 45 HB2 CYS 45 4.494 3.556 2.844 292 HB3 CYS 45 HB1 CYS 45 4.813 3.315 1.129 293 H ARG 46 H ARG 46 7.997 4.837 3.662 294 HA ARG 46 HA ARG 46 6.889 6.815 5.482 295 HB2 ARG 46 HB2 ARG 46 6.362 4.034 5.951 296 HB3 ARG 46 HB1 ARG 46 7.440 4.633 7.212 297 HG2 ARG 46 HG2 ARG 46 5.774 6.679 7.244 298 HG3 ARG 46 HG1 ARG 46 4.659 5.517 6.524 299 HD2 ARG 46 HD2 ARG 46 5.700 4.014 8.538 300 HD3 ARG 46 HD1 ARG 46 5.767 5.618 9.268 301 HE ARG 46 HE ARG 46 3.242 4.431 8.180 302 HH11 ARG 46 1HH2 ARG 46 3.570 4.103 11.076 303 HH12 ARG 46 2HH2 ARG 46 2.846 5.537 11.724 304 HH21 ARG 46 1HH1 ARG 46 2.930 7.259 8.716 305 HH22 ARG 46 2HH1 ARG 46 2.483 7.325 10.388 306 H ILE 47 H ILE 47 8.403 6.955 7.499 307 HA ILE 47 HA ILE 47 11.200 6.658 6.501 308 HB ILE 47 HB ILE 47 10.328 8.964 7.066 309 HG12 ILE 47 2HG1 ILE 47 12.409 8.701 9.079 310 HG13 ILE 47 1HG1 ILE 47 12.798 7.760 7.638 311 HG21 ILE 47 1HG2 ILE 47 8.911 8.512 8.939 312 HG22 ILE 47 2HG2 ILE 47 10.274 9.435 9.573 313 HG23 ILE 47 3HG2 ILE 47 10.206 7.688 9.807 314 HD11 ILE 47 3HD1 ILE 47 11.995 9.955 6.389 315 HD12 ILE 47 1HD1 ILE 47 13.638 9.832 7.018 316 HD13 ILE 47 2HD1 ILE 47 12.409 10.716 7.924 317 H ALA 48 H ALA 48 12.740 5.617 7.828 318 HA ALA 48 HA ALA 48 11.817 3.556 9.544 319 HB1 ALA 48 HB1 ALA 48 14.380 4.583 8.669 320 HB2 ALA 48 HB2 ALA 48 13.952 2.951 9.184 321 HB3 ALA 48 HB3 ALA 48 14.436 4.154 10.379 322 H ARG 49 H ARG 49 13.161 3.593 11.892 323 HA ARG 49 HA ARG 49 12.883 6.076 13.360 324 HB2 ARG 49 HB2 ARG 49 10.595 4.230 13.188 325 HB3 ARG 49 HB1 ARG 49 11.067 4.624 14.841 326 HG2 ARG 49 HG2 ARG 49 10.991 6.912 12.963 327 HG3 ARG 49 HG1 ARG 49 9.428 6.188 13.344 328 HD2 ARG 49 HD2 ARG 49 11.329 6.730 15.592 329 HD3 ARG 49 HD1 ARG 49 10.447 8.087 14.891 330 HE ARG 49 HE ARG 49 8.434 7.192 15.787 331 HH11 ARG 49 1HH1 ARG 49 10.329 6.268 17.989 332 HH12 ARG 49 2HH1 ARG 49 9.849 4.614 18.173 333 HH21 ARG 49 1HH2 ARG 49 8.129 4.504 15.162 334 HH22 ARG 49 2HH2 ARG 49 8.602 3.615 16.571 335 H GLY 50 H GLY 50 15.114 5.064 13.626 336 HA2 GLY 50 HA2 GLY 50 15.866 4.296 16.059 337 HA3 GLY 50 HA1 GLY 50 15.161 2.780 15.515 338 H ASP 51 H ASP 51 16.192 1.652 13.796 339 HA ASP 51 HA ASP 51 18.704 2.713 12.681 340 HB2 ASP 51 HB2 ASP 51 18.649 0.972 14.987 341 HB3 ASP 51 HB1 ASP 51 19.429 0.164 13.628 342 H TRP 52 H TRP 52 16.257 1.933 11.429 343 HA TRP 52 HA TRP 52 17.238 -0.435 9.898 344 HB2 TRP 52 HB2 TRP 52 14.532 -0.675 9.633 345 HB3 TRP 52 HB1 TRP 52 15.486 -1.558 10.823 346 HD1 TRP 52 HD TRP 52 13.258 1.532 10.480 347 HE1 TRP 52 HE1 TRP 52 12.385 2.186 12.815 348 HE3 TRP 52 HE3 TRP 52 15.940 -1.708 13.346 349 HZ2 TRP 52 HZ2 TRP 52 12.785 1.434 15.547 350 HZ3 TRP 52 HZ3 TRP 52 15.686 -1.720 15.813 351 HH2 TRP 52 HH TRP 52 14.112 -0.153 16.915 352 H ASN 53 H ASN 53 16.266 -0.526 7.676 353 HA ASN 53 HA ASN 53 16.515 1.994 6.343 354 HB2 ASN 53 HB2 ASN 53 15.735 -0.776 5.579 355 HB3 ASN 53 HB1 ASN 53 15.224 0.518 4.496 356 HD21 ASN 53 1HD2 ASN 53 17.928 -1.405 5.484 357 HD22 ASN 53 2HD2 ASN 53 19.108 -0.598 4.570 358 H ASP 54 H ASP 54 14.754 3.021 5.026 359 HA ASP 54 HA ASP 54 12.444 3.566 6.675 360 HB2 ASP 54 HB2 ASP 54 13.011 4.261 3.776 361 HB3 ASP 54 HB1 ASP 54 11.691 4.929 4.736 362 H ASP 55 H ASP 55 10.200 3.544 5.269 363 HA ASP 55 HA ASP 55 9.658 0.686 4.884 364 HB2 ASP 55 HB2 ASP 55 7.796 3.052 4.506 365 HB3 ASP 55 HB1 ASP 55 7.330 1.360 4.681 366 H ARG 56 H ARG 56 8.502 -0.063 2.877 367 HA ARG 56 HA ARG 56 9.118 1.543 0.452 368 HB2 ARG 56 HB2 ARG 56 10.965 -0.193 1.141 369 HB3 ARG 56 HB1 ARG 56 9.822 -1.375 0.504 370 HG2 ARG 56 HG2 ARG 56 10.599 -0.904 -1.546 371 HG3 ARG 56 HG1 ARG 56 9.870 0.694 -1.390 372 HD2 ARG 56 HD2 ARG 56 12.328 0.757 -1.931 373 HD3 ARG 56 HD1 ARG 56 11.904 1.602 -0.443 374 HE ARG 56 HE ARG 56 12.719 -1.202 -0.091 375 HH11 ARG 56 1HH2 ARG 56 14.462 1.379 -1.168 376 HH12 ARG 56 2HH2 ARG 56 15.498 1.521 0.214 377 HH21 ARG 56 1HH1 ARG 56 13.670 -0.706 2.142 378 HH22 ARG 56 2HH1 ARG 56 15.048 0.340 2.088 379 H CYS 57 H CYS 57 7.254 1.593 -0.711 380 HA CYS 57 HA CYS 57 5.032 -0.127 -0.178 381 HB2 CYS 57 HB2 CYS 57 5.705 1.907 -2.242 382 HB3 CYS 57 HB1 CYS 57 4.452 0.744 -2.657 383 H THR 58 H THR 58 4.202 -1.847 -1.462 384 HA THR 58 HA THR 58 6.270 -3.560 -2.601 385 HB THR 58 HB THR 58 4.748 -5.263 -2.402 386 HG1 THR 58 HG1 THR 58 2.425 -3.809 -2.687 387 HG21 THR 58 3HG2 THR 58 2.853 -3.657 -0.838 388 HG22 THR 58 1HG2 THR 58 4.536 -3.395 -0.385 389 HG23 THR 58 2HG2 THR 58 3.854 -5.019 -0.337 390 H GLY 59 H GLY 59 4.015 -1.251 -3.820 391 HA2 GLY 59 HA2 GLY 59 4.080 -0.412 -6.075 392 HA3 GLY 59 HA1 GLY 59 4.896 -1.896 -6.574 393 H GLN 60 H GLN 60 3.068 -3.709 -5.291 394 HA GLN 60 HA GLN 60 0.791 -3.458 -7.187 395 HB2 GLN 60 HB2 GLN 60 1.776 -5.821 -5.557 396 HB3 GLN 60 HB1 GLN 60 0.433 -5.866 -6.699 397 HG2 GLN 60 HG2 GLN 60 2.687 -4.678 -8.006 398 HG3 GLN 60 HG1 GLN 60 3.211 -6.183 -7.250 399 HE21 GLN 60 1HE2 GLN 60 1.722 -8.141 -7.709 400 HE22 GLN 60 2HE2 GLN 60 1.008 -8.228 -9.247 401 H SER 61 H SER 61 1.492 -2.765 -3.995 402 HA SER 61 HA SER 61 -1.394 -3.058 -3.269 403 HB2 SER 61 HB2 SER 61 0.061 -4.722 -2.072 404 HB3 SER 61 HB1 SER 61 0.940 -3.373 -1.358 405 HG SER 61 HG SER 61 -0.874 -2.767 -0.276 406 H ALA 62 H ALA 62 -2.272 -1.317 -2.111 407 HA ALA 62 HA ALA 62 -0.771 1.207 -2.316 408 HB1 ALA 62 HB1 ALA 62 -3.552 0.669 -1.219 409 HB2 ALA 62 HB2 ALA 62 -3.195 1.074 -2.897 410 HB3 ALA 62 HB3 ALA 62 -2.877 2.248 -1.621 411 H ASP 63 H ASP 63 -1.865 -1.032 0.173 412 HA ASP 63 HA ASP 63 -1.134 0.752 2.371 413 HB2 ASP 63 HB2 ASP 63 -1.784 -2.208 2.317 414 HB3 ASP 63 HB1 ASP 63 -1.563 -1.255 3.783 415 H CYS 64 H CYS 64 1.031 1.218 2.459 416 HA CYS 64 HA CYS 64 3.162 -0.418 1.589 417 HB2 CYS 64 HB2 CYS 64 3.608 1.880 2.039 418 HB3 CYS 64 HB1 CYS 64 3.022 1.751 3.694 419 HA PRO 65 HA PRO 65 3.256 -3.581 4.599 420 HB2 PRO 65 HB2 PRO 65 5.680 -4.587 3.834 421 HB3 PRO 65 HB1 PRO 65 4.192 -4.887 2.939 422 HG2 PRO 65 HG2 PRO 65 6.480 -3.105 2.272 423 HG3 PRO 65 HG1 PRO 65 5.319 -3.897 1.195 424 HD2 PRO 65 HD2 PRO 65 5.267 -1.189 1.968 425 HD3 PRO 65 HD1 PRO 65 3.940 -2.075 1.192 426 H ARG 66 H ARG 66 5.688 -4.522 5.706 427 HA ARG 66 HA ARG 66 6.863 -2.125 7.040 428 HB2 ARG 66 HB2 ARG 66 4.997 -3.314 8.392 429 HB3 ARG 66 HB1 ARG 66 6.166 -4.619 8.589 430 HG2 ARG 66 HG2 ARG 66 6.387 -3.154 10.497 431 HG3 ARG 66 HG1 ARG 66 7.802 -2.912 9.471 432 HD2 ARG 66 HD2 ARG 66 6.440 -0.832 10.391 433 HD3 ARG 66 HD1 ARG 66 7.099 -0.818 8.755 434 HE ARG 66 HE ARG 66 4.805 -1.500 7.974 435 HH11 ARG 66 1HH1 ARG 66 3.988 -1.982 10.952 436 HH12 ARG 66 2HH1 ARG 66 2.923 -0.636 11.185 437 HH21 ARG 66 1HH2 ARG 66 3.975 1.031 8.332 438 HH22 ARG 66 2HH2 ARG 66 2.916 1.071 9.702 439 H ASN 67 H ASN 67 8.852 -2.410 5.958 440 HA ASN 67 HA ASN 67 10.228 -5.020 6.458 441 HB2 ASN 67 HB2 ASN 67 10.377 -3.043 4.195 442 HB3 ASN 67 HB1 ASN 67 11.738 -4.115 4.524 443 HD21 ASN 67 1HD2 ASN 67 10.530 -4.539 2.104 444 HD22 ASN 67 2HD2 ASN 67 9.560 -5.931 2.138 445 H GLY 68 H GLY 68 10.078 -1.998 7.699 446 HA2 GLY 68 HA2 GLY 68 12.949 -2.099 8.488 447 HA3 GLY 68 HA1 GLY 68 12.245 -0.572 7.973 448 H LEU 69 H LEU 69 9.675 -1.087 9.253 449 HA LEU 69 HA LEU 69 10.507 -0.511 12.049 450 HB2 LEU 69 HB2 LEU 69 8.267 0.320 10.304 451 HB3 LEU 69 HB1 LEU 69 7.828 0.005 11.983 452 HG LEU 69 HG LEU 69 8.502 2.372 11.619 453 HD11 LEU 69 1HD1 LEU 69 10.762 1.362 13.229 454 HD12 LEU 69 2HD1 LEU 69 9.190 0.708 13.682 455 HD13 LEU 69 3HD1 LEU 69 9.453 2.451 13.686 456 HD21 LEU 69 3HD2 LEU 69 10.107 2.298 9.890 457 HD22 LEU 69 1HD2 LEU 69 11.018 1.005 10.671 458 HD23 LEU 69 2HD2 LEU 69 11.076 2.642 11.324 459 H TYR 70 H TYR 70 8.196 -1.156 13.415 460 HA TYR 70 HA TYR 70 8.295 -4.119 13.301 461 HB2 TYR 70 HB2 TYR 70 6.651 -2.888 15.410 462 HB3 TYR 70 HB1 TYR 70 7.931 -4.090 15.545 463 HD1 TYR 70 HD1 TYR 70 10.311 -2.884 14.557 464 HD2 TYR 70 HD2 TYR 70 7.106 -1.034 16.738 465 HE1 TYR 70 HE1 TYR 70 11.868 -1.126 15.356 466 HE2 TYR 70 HE2 TYR 70 8.663 0.723 17.536 467 HH TYR 70 HH TYR 70 11.750 0.521 17.663 468 H GLY 71 H GLY 71 6.609 -5.278 12.488 469 HA2 GLY 71 HA2 GLY 71 4.369 -3.958 11.254 470 HA3 GLY 71 HA1 GLY 71 4.535 -5.701 11.467 Start of MODEL 17 1 H GLY 1 HT1 GLY 1 -16.066 -11.094 -3.554 2 HA2 GLY 1 HA1 GLY 1 -14.034 -12.893 -2.405 3 HA3 GLY 1 HA2 GLY 1 -13.641 -11.859 -3.778 4 H LYS 2 H LYS 2 -14.030 -9.507 -3.492 5 HA LYS 2 HA LYS 2 -13.685 -8.722 -0.627 6 HB2 LYS 2 HB2 LYS 2 -12.896 -7.039 -3.006 7 HB3 LYS 2 HB1 LYS 2 -12.329 -6.916 -1.341 8 HG2 LYS 2 HG2 LYS 2 -11.724 -9.545 -2.116 9 HG3 LYS 2 HG1 LYS 2 -11.296 -8.547 -3.507 10 HD2 LYS 2 HD2 LYS 2 -9.370 -8.121 -2.393 11 HD3 LYS 2 HD1 LYS 2 -10.348 -7.052 -1.388 12 HE2 LYS 2 HE2 LYS 2 -10.560 -9.855 -0.576 13 HE3 LYS 2 HE1 LYS 2 -8.907 -9.247 -0.484 14 HZ1 LYS 2 HZ1 LYS 2 -10.631 -8.896 1.460 15 HZ2 LYS 2 HZ2 LYS 2 -11.037 -7.529 0.538 16 HZ3 LYS 2 HZ3 LYS 2 -9.447 -7.737 1.098 17 H GLU 3 H GLU 3 -14.898 -6.948 0.154 18 HA GLU 3 HA GLU 3 -17.117 -6.067 -1.651 19 HB2 GLU 3 HB2 GLU 3 -17.335 -6.085 1.355 20 HB3 GLU 3 HB1 GLU 3 -18.625 -6.135 0.152 21 HG2 GLU 3 HG2 GLU 3 -18.134 -8.403 -0.422 22 HG3 GLU 3 HG1 GLU 3 -16.609 -8.369 0.462 23 H CYS 4 H CYS 4 -14.432 -5.119 0.211 24 HA CYS 4 HA CYS 4 -15.198 -2.275 -0.202 25 HB2 CYS 4 HB2 CYS 4 -15.671 -2.817 2.170 26 HB3 CYS 4 HB1 CYS 4 -14.006 -3.368 2.365 27 H ASP 5 H ASP 5 -13.489 -1.021 -0.881 28 HA ASP 5 HA ASP 5 -10.823 -2.366 -1.019 29 HB2 ASP 5 HB2 ASP 5 -12.275 -1.796 -3.183 30 HB3 ASP 5 HB1 ASP 5 -11.565 -0.199 -2.943 31 H CYS 6 H CYS 6 -12.615 0.348 0.066 32 HA CYS 6 HA CYS 6 -10.055 1.671 0.854 33 HB2 CYS 6 HB2 CYS 6 -10.926 3.829 0.380 34 HB3 CYS 6 HB1 CYS 6 -11.366 2.858 -1.021 35 H SER 7 H SER 7 -9.966 2.262 3.008 36 HA SER 7 HA SER 7 -12.268 1.432 4.675 37 HB2 SER 7 HB2 SER 7 -9.738 2.506 5.852 38 HB3 SER 7 HB1 SER 7 -10.773 1.204 6.427 39 HG SER 7 HG SER 7 -9.106 0.136 5.572 40 H SER 8 H SER 8 -11.801 4.094 3.028 41 HA SER 8 HA SER 8 -12.584 5.888 5.289 42 HB2 SER 8 HB2 SER 8 -11.488 7.031 2.760 43 HB3 SER 8 HB1 SER 8 -11.339 7.620 4.414 44 HG SER 8 HG SER 8 -9.497 6.631 4.454 45 HA PRO 9 HA PRO 9 -16.314 5.986 2.806 46 HB2 PRO 9 HB2 PRO 9 -17.799 7.357 4.673 47 HB3 PRO 9 HB1 PRO 9 -17.508 5.610 4.742 48 HG2 PRO 9 HG2 PRO 9 -16.293 7.782 6.387 49 HG3 PRO 9 HG1 PRO 9 -16.543 6.075 6.790 50 HD2 PRO 9 HD2 PRO 9 -14.094 7.245 5.995 51 HD3 PRO 9 HD1 PRO 9 -14.443 5.505 6.067 52 H GLU 10 H GLU 10 -14.372 8.567 3.956 53 HA GLU 10 HA GLU 10 -15.981 10.646 2.585 54 HB2 GLU 10 HB2 GLU 10 -14.060 12.131 3.440 55 HB3 GLU 10 HB1 GLU 10 -15.103 11.405 4.664 56 HG2 GLU 10 HG2 GLU 10 -13.492 9.848 5.309 57 HG3 GLU 10 HG1 GLU 10 -12.649 9.928 3.761 58 H ASN 11 H ASN 11 -14.333 8.356 1.321 59 HA ASN 11 HA ASN 11 -12.525 10.032 -0.354 60 HB2 ASN 11 HB2 ASN 11 -11.301 8.227 0.572 61 HB3 ASN 11 HB1 ASN 11 -12.614 7.084 0.287 62 HD21 ASN 11 1HD2 ASN 11 -11.103 5.715 -0.958 63 HD22 ASN 11 2HD2 ASN 11 -10.659 6.146 -2.536 64 HA PRO 12 HA PRO 12 -15.646 9.495 -3.493 65 HB2 PRO 12 HB2 PRO 12 -14.346 10.970 -5.410 66 HB3 PRO 12 HB1 PRO 12 -15.258 11.687 -4.071 67 HG2 PRO 12 HG2 PRO 12 -12.307 11.501 -4.443 68 HG3 PRO 12 HG1 PRO 12 -13.249 12.678 -3.513 69 HD2 PRO 12 HD2 PRO 12 -11.825 10.468 -2.451 70 HD3 PRO 12 HD1 PRO 12 -13.004 11.470 -1.582 71 H CYS 13 H CYS 13 -12.176 8.976 -4.197 72 HA CYS 13 HA CYS 13 -12.458 7.647 -6.668 73 HB2 CYS 13 HB2 CYS 13 -10.389 8.032 -4.707 74 HB3 CYS 13 HB1 CYS 13 -10.366 6.355 -5.257 75 H CYS 14 H CYS 14 -13.478 6.614 -3.555 76 HA CYS 14 HA CYS 14 -13.878 3.881 -4.680 77 HB2 CYS 14 HB2 CYS 14 -13.447 2.879 -2.574 78 HB3 CYS 14 HB1 CYS 14 -12.164 4.068 -2.786 79 H ASP 15 H ASP 15 -15.959 3.276 -4.803 80 HA ASP 15 HA ASP 15 -18.113 4.992 -4.138 81 HB2 ASP 15 HB2 ASP 15 -17.981 2.837 -5.664 82 HB3 ASP 15 HB1 ASP 15 -18.508 2.020 -4.193 83 H ALA 16 H ALA 16 -18.477 5.646 -2.065 84 HA ALA 16 HA ALA 16 -17.826 4.074 0.256 85 HB1 ALA 16 HB1 ALA 16 -19.940 6.189 0.376 86 HB2 ALA 16 HB2 ALA 16 -18.301 6.675 -0.058 87 HB3 ALA 16 HB3 ALA 16 -18.606 5.877 1.485 88 H ALA 17 H ALA 17 -20.610 4.249 -1.831 89 HA ALA 17 HA ALA 17 -22.551 3.137 -0.034 90 HB1 ALA 17 HB1 ALA 17 -22.424 2.806 -3.047 91 HB2 ALA 17 HB2 ALA 17 -23.074 4.232 -2.236 92 HB3 ALA 17 HB3 ALA 17 -23.856 2.665 -2.027 93 H THR 18 H THR 18 -20.100 1.709 -2.138 94 HA THR 18 HA THR 18 -20.920 -0.992 -1.151 95 HB THR 18 HB THR 18 -19.900 -1.930 -3.108 96 HG1 THR 18 HG1 THR 18 -18.304 -0.958 -4.039 97 HG21 THR 18 3HG2 THR 18 -21.982 -0.056 -3.260 98 HG22 THR 18 1HG2 THR 18 -21.596 -1.303 -4.446 99 HG23 THR 18 2HG2 THR 18 -20.928 0.319 -4.624 100 H CYS 19 H CYS 19 -18.549 1.445 -0.930 101 HA CYS 19 HA CYS 19 -16.643 1.510 0.464 102 HB2 CYS 19 HB2 CYS 19 -17.985 -0.475 1.622 103 HB3 CYS 19 HB1 CYS 19 -16.718 -1.454 0.885 104 H LYS 20 H LYS 20 -16.925 0.338 -2.485 105 HA LYS 20 HA LYS 20 -14.110 -0.685 -2.582 106 HB2 LYS 20 HB2 LYS 20 -16.484 -1.326 -4.346 107 HB3 LYS 20 HB1 LYS 20 -14.824 -1.757 -4.761 108 HG2 LYS 20 HG2 LYS 20 -15.688 -2.506 -2.026 109 HG3 LYS 20 HG1 LYS 20 -16.472 -3.385 -3.340 110 HD2 LYS 20 HD2 LYS 20 -13.564 -3.051 -3.677 111 HD3 LYS 20 HD1 LYS 20 -14.021 -4.035 -2.288 112 HE2 LYS 20 HE2 LYS 20 -14.672 -5.748 -3.605 113 HE3 LYS 20 HE1 LYS 20 -15.610 -4.680 -4.647 114 HZ1 LYS 20 HZ1 LYS 20 -13.573 -4.042 -5.774 115 HZ2 LYS 20 HZ2 LYS 20 -13.800 -5.724 -5.856 116 HZ3 LYS 20 HZ3 LYS 20 -12.669 -5.068 -4.770 117 H LEU 21 H LEU 21 -13.614 -0.444 -5.280 118 HA LEU 21 HA LEU 21 -13.263 2.447 -5.523 119 HB2 LEU 21 HB2 LEU 21 -12.315 0.047 -7.037 120 HB3 LEU 21 HB1 LEU 21 -12.224 1.637 -7.799 121 HG LEU 21 HG LEU 21 -11.299 1.967 -5.144 122 HD11 LEU 21 1HD1 LEU 21 -9.462 0.353 -5.032 123 HD12 LEU 21 2HD1 LEU 21 -9.989 -0.373 -6.549 124 HD13 LEU 21 3HD1 LEU 21 -11.005 -0.497 -5.116 125 HD21 LEU 21 3HD2 LEU 21 -9.957 3.266 -6.405 126 HD22 LEU 21 1HD2 LEU 21 -10.473 2.423 -7.866 127 HD23 LEU 21 2HD2 LEU 21 -9.102 1.817 -6.935 128 H ARG 22 H ARG 22 -14.480 3.805 -6.766 129 HA ARG 22 HA ARG 22 -16.890 2.751 -8.030 130 HB2 ARG 22 HB2 ARG 22 -15.961 5.301 -7.095 131 HB3 ARG 22 HB1 ARG 22 -16.485 5.466 -8.771 132 HG2 ARG 22 HG2 ARG 22 -18.563 4.087 -8.006 133 HG3 ARG 22 HG1 ARG 22 -18.074 4.563 -6.380 134 HD2 ARG 22 HD2 ARG 22 -18.001 6.966 -7.260 135 HD3 ARG 22 HD1 ARG 22 -18.844 6.360 -8.686 136 HE ARG 22 HE ARG 22 -19.977 6.558 -5.962 137 HH11 ARG 22 1HH1 ARG 22 -20.145 5.058 -9.045 138 HH12 ARG 22 2HH1 ARG 22 -21.876 5.028 -9.092 139 HH21 ARG 22 1HH2 ARG 22 -22.251 6.714 -6.084 140 HH22 ARG 22 2HH2 ARG 22 -23.068 5.966 -7.415 141 HA PRO 23 HA PRO 23 -14.704 4.168 -12.025 142 HB2 PRO 23 HB2 PRO 23 -12.171 5.208 -11.816 143 HB3 PRO 23 HB1 PRO 23 -13.639 6.196 -11.709 144 HG2 PRO 23 HG2 PRO 23 -11.797 5.329 -9.527 145 HG3 PRO 23 HG1 PRO 23 -12.835 6.761 -9.616 146 HD2 PRO 23 HD2 PRO 23 -13.393 4.402 -8.158 147 HD3 PRO 23 HD1 PRO 23 -14.548 5.695 -8.542 148 H GLY 24 H GLY 24 -12.086 3.725 -12.973 149 HA2 GLY 24 HA2 GLY 24 -11.762 0.849 -12.340 150 HA3 GLY 24 HA1 GLY 24 -11.029 1.693 -13.706 151 H ALA 25 H ALA 25 -10.913 3.162 -10.569 152 HA ALA 25 HA ALA 25 -8.041 3.311 -10.587 153 HB1 ALA 25 HB1 ALA 25 -8.689 3.824 -7.990 154 HB2 ALA 25 HB2 ALA 25 -10.241 4.117 -8.772 155 HB3 ALA 25 HB3 ALA 25 -8.814 5.020 -9.279 156 H GLN 26 H GLN 26 -6.527 2.142 -9.339 157 HA GLN 26 HA GLN 26 -7.268 -0.609 -8.733 158 HB2 GLN 26 HB2 GLN 26 -4.741 1.015 -8.465 159 HB3 GLN 26 HB1 GLN 26 -4.848 -0.607 -7.787 160 HG2 GLN 26 HG2 GLN 26 -5.726 -0.184 -10.618 161 HG3 GLN 26 HG1 GLN 26 -3.996 -0.234 -10.270 162 HE21 GLN 26 1HE2 GLN 26 -4.153 -2.328 -11.611 163 HE22 GLN 26 2HE2 GLN 26 -4.579 -3.752 -10.793 164 H CYS 27 H CYS 27 -6.391 2.260 -6.831 165 HA CYS 27 HA CYS 27 -7.715 0.997 -4.486 166 HB2 CYS 27 HB2 CYS 27 -5.543 0.574 -3.800 167 HB3 CYS 27 HB1 CYS 27 -4.874 1.918 -4.715 168 H GLY 28 H GLY 28 -8.717 2.521 -3.108 169 HA2 GLY 28 HA2 GLY 28 -9.069 5.205 -4.317 170 HA3 GLY 28 HA1 GLY 28 -10.114 4.487 -3.096 171 H GLU 29 H GLU 29 -7.861 3.608 -1.453 172 HA GLU 29 HA GLU 29 -6.527 6.133 -0.708 173 HB2 GLU 29 HB2 GLU 29 -7.337 6.036 1.576 174 HB3 GLU 29 HB1 GLU 29 -8.710 6.103 0.485 175 HG2 GLU 29 HG2 GLU 29 -9.461 4.292 1.622 176 HG3 GLU 29 HG1 GLU 29 -8.277 3.398 0.669 177 H GLY 30 H GLY 30 -4.518 5.745 0.205 178 HA2 GLY 30 HA2 GLY 30 -3.618 3.687 1.792 179 HA3 GLY 30 HA1 GLY 30 -3.547 2.985 0.175 180 H LEU 31 H LEU 31 -1.221 3.430 1.727 181 HA LEU 31 HA LEU 31 0.058 5.929 1.033 182 HB2 LEU 31 HB2 LEU 31 0.672 3.626 2.607 183 HB3 LEU 31 HB1 LEU 31 2.000 3.875 1.472 184 HG LEU 31 HG LEU 31 2.305 5.141 3.603 185 HD11 LEU 31 1HD1 LEU 31 1.826 6.876 1.160 186 HD12 LEU 31 2HD1 LEU 31 3.289 5.940 1.469 187 HD13 LEU 31 3HD1 LEU 31 2.858 7.281 2.532 188 HD21 LEU 31 3HD2 LEU 31 0.508 7.295 3.118 189 HD22 LEU 31 1HD2 LEU 31 0.524 6.193 4.497 190 HD23 LEU 31 2HD2 LEU 31 -0.441 5.808 3.072 191 H CYS 32 H CYS 32 -0.119 2.746 -0.484 192 HA CYS 32 HA CYS 32 1.808 3.612 -2.567 193 HB2 CYS 32 HB2 CYS 32 0.362 0.975 -2.565 194 HB3 CYS 32 HB1 CYS 32 1.957 1.359 -3.205 195 H CYS 33 H CYS 33 -1.098 4.597 -2.173 196 HA CYS 33 HA CYS 33 -2.198 3.760 -4.809 197 HB2 CYS 33 HB2 CYS 33 -3.549 5.466 -2.706 198 HB3 CYS 33 HB1 CYS 33 -4.307 4.643 -4.068 199 H GLU 34 H GLU 34 -0.759 5.023 -6.111 200 HA GLU 34 HA GLU 34 -0.733 7.950 -5.714 201 HB2 GLU 34 HB2 GLU 34 1.359 6.758 -6.346 202 HB3 GLU 34 HB1 GLU 34 0.591 6.248 -7.850 203 HG2 GLU 34 HG2 GLU 34 0.490 8.454 -8.685 204 HG3 GLU 34 HG1 GLU 34 0.735 9.162 -7.089 205 H GLN 35 H GLN 35 -2.604 8.895 -6.418 206 HA GLN 35 HA GLN 35 -4.175 9.651 -7.995 207 HB2 GLN 35 HB2 GLN 35 -2.007 8.674 -9.575 208 HB3 GLN 35 HB1 GLN 35 -3.506 8.097 -10.305 209 HG2 GLN 35 HG2 GLN 35 -3.644 10.891 -9.410 210 HG3 GLN 35 HG1 GLN 35 -2.439 10.615 -10.670 211 HE21 GLN 35 1HE2 GLN 35 -4.612 12.126 -11.440 212 HE22 GLN 35 2HE2 GLN 35 -5.659 11.220 -12.419 213 H CYS 36 H CYS 36 -4.568 7.350 -6.303 214 HA CYS 36 HA CYS 36 -6.161 5.667 -6.004 215 HB2 CYS 36 HB2 CYS 36 -7.212 6.697 -8.658 216 HB3 CYS 36 HB1 CYS 36 -8.076 5.616 -7.559 217 H LYS 37 H LYS 37 -3.622 5.303 -7.594 218 HA LYS 37 HA LYS 37 -4.430 2.766 -8.946 219 HB2 LYS 37 HB2 LYS 37 -2.520 4.911 -9.857 220 HB3 LYS 37 HB1 LYS 37 -2.311 3.243 -10.391 221 HG2 LYS 37 HG2 LYS 37 -5.069 4.313 -10.585 222 HG3 LYS 37 HG1 LYS 37 -3.891 5.030 -11.685 223 HD2 LYS 37 HD2 LYS 37 -3.221 2.468 -12.042 224 HD3 LYS 37 HD1 LYS 37 -4.899 2.222 -11.554 225 HE2 LYS 37 HE2 LYS 37 -5.020 4.356 -13.349 226 HE3 LYS 37 HE1 LYS 37 -3.844 3.255 -14.066 227 HZ1 LYS 37 HZ1 LYS 37 -6.117 1.890 -12.994 228 HZ2 LYS 37 HZ2 LYS 37 -5.425 1.788 -14.541 229 HZ3 LYS 37 HZ3 LYS 37 -6.554 3.009 -14.192 230 H PHE 38 H PHE 38 -2.475 1.221 -9.053 231 HA PHE 38 HA PHE 38 -1.291 1.101 -6.379 232 HB2 PHE 38 HB2 PHE 38 -1.281 -0.685 -8.794 233 HB3 PHE 38 HB1 PHE 38 -0.090 -0.940 -7.525 234 HD1 PHE 38 HD2 PHE 38 -3.134 0.544 -6.330 235 HD2 PHE 38 HD1 PHE 38 -1.293 -3.212 -7.308 236 HE1 PHE 38 HE2 PHE 38 -4.819 -0.642 -4.956 237 HE2 PHE 38 HE1 PHE 38 -2.981 -4.395 -5.931 238 HZ PHE 38 HZ PHE 38 -4.745 -3.110 -4.754 239 H SER 39 H SER 39 0.447 2.419 -5.977 240 HA SER 39 HA SER 39 2.196 3.454 -7.985 241 HB2 SER 39 HB2 SER 39 3.249 2.956 -5.228 242 HB3 SER 39 HB1 SER 39 3.392 4.394 -6.236 243 HG SER 39 HG SER 39 1.566 5.110 -5.457 244 H ARG 40 H ARG 40 4.700 2.809 -7.841 245 HA ARG 40 HA ARG 40 4.755 -0.076 -8.426 246 HB2 ARG 40 HB2 ARG 40 7.201 0.460 -8.986 247 HB3 ARG 40 HB1 ARG 40 5.982 1.265 -9.976 248 HG2 ARG 40 HG2 ARG 40 6.661 2.747 -7.534 249 HG3 ARG 40 HG1 ARG 40 8.026 2.545 -8.633 250 HD2 ARG 40 HD2 ARG 40 5.418 3.318 -9.847 251 HD3 ARG 40 HD1 ARG 40 6.263 4.551 -8.912 252 HE ARG 40 HE ARG 40 6.965 3.874 -11.530 253 HH11 ARG 40 1HH2 ARG 40 8.317 5.717 -9.331 254 HH12 ARG 40 2HH2 ARG 40 9.960 5.205 -9.522 255 HH21 ARG 40 1HH1 ARG 40 9.144 2.402 -11.393 256 HH22 ARG 40 2HH1 ARG 40 10.429 3.328 -10.692 257 H ALA 41 H ALA 41 6.515 -1.445 -7.444 258 HA ALA 41 HA ALA 41 6.488 -1.199 -4.559 259 HB1 ALA 41 HB1 ALA 41 8.535 -2.926 -5.868 260 HB2 ALA 41 HB2 ALA 41 6.848 -3.302 -6.217 261 HB3 ALA 41 HB3 ALA 41 7.425 -3.303 -4.551 262 H GLY 42 H GLY 42 8.706 -1.313 -3.356 263 HA2 GLY 42 HA2 GLY 42 10.761 -0.262 -2.869 264 HA3 GLY 42 HA1 GLY 42 10.946 0.030 -4.599 265 H LYS 43 H LYS 43 7.976 1.042 -3.125 266 HA LYS 43 HA LYS 43 8.805 3.860 -3.604 267 HB2 LYS 43 HB2 LYS 43 6.736 3.989 -4.480 268 HB3 LYS 43 HB1 LYS 43 6.341 2.379 -3.895 269 HG2 LYS 43 HG2 LYS 43 4.745 3.932 -2.944 270 HG3 LYS 43 HG1 LYS 43 5.813 3.411 -1.648 271 HD2 LYS 43 HD2 LYS 43 6.856 5.468 -1.495 272 HD3 LYS 43 HD1 LYS 43 6.591 5.846 -3.198 273 HE2 LYS 43 HE2 LYS 43 4.022 5.727 -2.324 274 HE3 LYS 43 HE1 LYS 43 4.824 6.301 -0.863 275 HZ1 LYS 43 HZ1 LYS 43 5.289 8.266 -1.791 276 HZ2 LYS 43 HZ2 LYS 43 4.060 7.874 -2.896 277 HZ3 LYS 43 HZ3 LYS 43 5.687 7.592 -3.296 278 H ILE 44 H ILE 44 9.431 5.103 -1.942 279 HA ILE 44 HA ILE 44 9.437 4.198 0.770 280 HB ILE 44 HB ILE 44 11.069 5.822 0.106 281 HG12 ILE 44 2HG1 ILE 44 10.524 7.768 1.659 282 HG13 ILE 44 1HG1 ILE 44 8.956 7.010 1.925 283 HG21 ILE 44 1HG2 ILE 44 9.821 8.224 -0.350 284 HG22 ILE 44 2HG2 ILE 44 8.712 7.087 -1.118 285 HG23 ILE 44 3HG2 ILE 44 10.404 7.139 -1.613 286 HD11 ILE 44 3HD1 ILE 44 11.647 5.713 2.433 287 HD12 ILE 44 1HD1 ILE 44 10.077 4.957 2.702 288 HD13 ILE 44 2HD1 ILE 44 10.564 6.347 3.671 289 H CYS 45 H CYS 45 7.239 3.630 1.289 290 HA CYS 45 HA CYS 45 5.047 5.484 1.017 291 HB2 CYS 45 HB2 CYS 45 3.954 3.956 2.745 292 HB3 CYS 45 HB1 CYS 45 4.492 3.171 1.264 293 H ARG 46 H ARG 46 7.430 4.851 3.520 294 HA ARG 46 HA ARG 46 6.655 7.378 4.844 295 HB2 ARG 46 HB2 ARG 46 5.950 4.767 5.876 296 HB3 ARG 46 HB1 ARG 46 7.058 5.581 6.979 297 HG2 ARG 46 HG2 ARG 46 5.593 7.611 6.870 298 HG3 ARG 46 HG1 ARG 46 4.447 6.682 5.902 299 HD2 ARG 46 HD2 ARG 46 4.005 5.171 7.690 300 HD3 ARG 46 HD1 ARG 46 5.398 5.736 8.612 301 HE ARG 46 HE ARG 46 3.938 8.010 8.476 302 HH11 ARG 46 1HH1 ARG 46 3.668 5.029 10.017 303 HH12 ARG 46 2HH1 ARG 46 2.075 5.301 10.638 304 HH21 ARG 46 1HH2 ARG 46 1.607 8.256 8.886 305 HH22 ARG 46 2HH2 ARG 46 0.908 7.128 9.998 306 H ILE 47 H ILE 47 8.421 8.369 5.815 307 HA ILE 47 HA ILE 47 11.053 7.348 5.155 308 HB ILE 47 HB ILE 47 10.402 9.797 5.316 309 HG12 ILE 47 2HG1 ILE 47 12.611 10.039 7.007 310 HG13 ILE 47 1HG1 ILE 47 12.808 8.447 6.275 311 HG21 ILE 47 1HG2 ILE 47 10.554 10.762 7.631 312 HG22 ILE 47 2HG2 ILE 47 10.546 9.117 8.268 313 HG23 ILE 47 3HG2 ILE 47 9.142 9.730 7.394 314 HD11 ILE 47 3HD1 ILE 47 13.883 10.053 4.825 315 HD12 ILE 47 1HD1 ILE 47 12.456 11.089 4.834 316 HD13 ILE 47 2HD1 ILE 47 12.403 9.521 4.027 317 H ALA 48 H ALA 48 12.630 6.525 6.585 318 HA ALA 48 HA ALA 48 11.699 4.908 8.744 319 HB1 ALA 48 HB1 ALA 48 14.301 5.631 7.569 320 HB2 ALA 48 HB2 ALA 48 13.730 4.073 8.165 321 HB3 ALA 48 HB3 ALA 48 14.373 5.266 9.293 322 H ARG 49 H ARG 49 10.789 5.793 10.540 323 HA ARG 49 HA ARG 49 11.536 8.426 11.522 324 HB2 ARG 49 HB2 ARG 49 9.831 6.231 12.736 325 HB3 ARG 49 HB1 ARG 49 10.001 7.851 13.413 326 HG2 ARG 49 HG2 ARG 49 9.398 8.314 10.733 327 HG3 ARG 49 HG1 ARG 49 8.367 6.949 11.169 328 HD2 ARG 49 HD2 ARG 49 8.571 9.547 12.722 329 HD3 ARG 49 HD1 ARG 49 7.252 9.113 11.635 330 HE ARG 49 HE ARG 49 7.454 7.012 13.495 331 HH11 ARG 49 1HH1 ARG 49 4.916 8.437 13.202 332 HH12 ARG 49 2HH1 ARG 49 4.751 9.280 14.706 333 HH21 ARG 49 1HH2 ARG 49 8.096 8.948 15.560 334 HH22 ARG 49 2HH2 ARG 49 6.552 9.570 16.040 335 H GLY 50 H GLY 50 13.804 8.217 11.971 336 HA2 GLY 50 HA2 GLY 50 14.818 7.994 14.401 337 HA3 GLY 50 HA1 GLY 50 14.547 6.279 14.098 338 H ASP 51 H ASP 51 16.126 5.180 13.015 339 HA ASP 51 HA ASP 51 17.922 6.553 11.144 340 HB2 ASP 51 HB2 ASP 51 18.675 5.982 13.932 341 HB3 ASP 51 HB1 ASP 51 19.817 5.362 12.739 342 H TRP 52 H TRP 52 16.109 4.437 10.742 343 HA TRP 52 HA TRP 52 18.013 2.193 10.215 344 HB2 TRP 52 HB2 TRP 52 15.873 0.727 10.522 345 HB3 TRP 52 HB1 TRP 52 16.725 1.293 11.959 346 HD1 TRP 52 HD TRP 52 14.044 2.882 9.653 347 HE1 TRP 52 HE1 TRP 52 12.215 3.911 11.149 348 HE3 TRP 52 HE3 TRP 52 15.883 1.662 14.255 349 HZ2 TRP 52 HZ2 TRP 52 11.614 4.183 13.930 350 HZ3 TRP 52 HZ3 TRP 52 14.664 2.318 16.311 351 HH2 TRP 52 HH TRP 52 12.533 3.577 16.153 352 H ASN 53 H ASN 53 16.419 0.565 8.714 353 HA ASN 53 HA ASN 53 16.354 1.862 6.176 354 HB2 ASN 53 HB2 ASN 53 16.434 -0.672 6.718 355 HB3 ASN 53 HB1 ASN 53 14.677 -0.559 6.830 356 HD21 ASN 53 1HD2 ASN 53 14.895 -2.082 4.836 357 HD22 ASN 53 2HD2 ASN 53 15.027 -1.339 3.316 358 H ASP 54 H ASP 54 14.654 2.781 5.008 359 HA ASP 54 HA ASP 54 12.446 3.850 6.569 360 HB2 ASP 54 HB2 ASP 54 12.601 3.905 3.557 361 HB3 ASP 54 HB1 ASP 54 11.909 5.107 4.646 362 H ASP 55 H ASP 55 10.601 3.541 4.132 363 HA ASP 55 HA ASP 55 9.916 0.661 4.419 364 HB2 ASP 55 HB2 ASP 55 8.612 2.108 6.066 365 HB3 ASP 55 HB1 ASP 55 7.843 2.852 4.663 366 H ARG 56 H ARG 56 9.657 -0.154 2.407 367 HA ARG 56 HA ARG 56 9.048 1.729 0.177 368 HB2 ARG 56 HB2 ARG 56 10.108 -1.106 0.090 369 HB3 ARG 56 HB1 ARG 56 9.947 -0.007 -1.278 370 HG2 ARG 56 HG2 ARG 56 11.470 1.021 1.056 371 HG3 ARG 56 HG1 ARG 56 12.242 -0.261 0.122 372 HD2 ARG 56 HD2 ARG 56 11.622 1.142 -1.958 373 HD3 ARG 56 HD1 ARG 56 11.346 2.461 -0.821 374 HE ARG 56 HE ARG 56 13.974 1.166 -1.341 375 HH11 ARG 56 1HH2 ARG 56 12.827 4.131 -1.565 376 HH12 ARG 56 2HH2 ARG 56 13.789 4.876 -0.333 377 HH21 ARG 56 1HH1 ARG 56 14.871 1.871 1.011 378 HH22 ARG 56 2HH1 ARG 56 14.945 3.597 1.126 379 H CYS 57 H CYS 57 7.318 1.379 -1.206 380 HA CYS 57 HA CYS 57 5.112 -0.212 -0.150 381 HB2 CYS 57 HB2 CYS 57 5.526 1.675 -2.414 382 HB3 CYS 57 HB1 CYS 57 4.239 0.488 -2.600 383 H THR 58 H THR 58 4.139 -1.992 -1.299 384 HA THR 58 HA THR 58 6.066 -3.826 -2.451 385 HB THR 58 HB THR 58 3.381 -4.690 -2.931 386 HG1 THR 58 HG1 THR 58 2.754 -4.510 -0.645 387 HG21 THR 58 3HG2 THR 58 5.458 -6.007 -2.287 388 HG22 THR 58 1HG2 THR 58 3.986 -6.447 -1.421 389 HG23 THR 58 2HG2 THR 58 5.203 -5.441 -0.636 390 H GLY 59 H GLY 59 3.907 -1.444 -3.715 391 HA2 GLY 59 HA2 GLY 59 3.965 -0.663 -5.980 392 HA3 GLY 59 HA1 GLY 59 4.748 -2.171 -6.457 393 H GLN 60 H GLN 60 2.921 -3.974 -5.229 394 HA GLN 60 HA GLN 60 0.549 -3.545 -6.991 395 HB2 GLN 60 HB2 GLN 60 1.781 -6.065 -5.842 396 HB3 GLN 60 HB1 GLN 60 0.247 -6.038 -6.712 397 HG2 GLN 60 HG2 GLN 60 1.633 -4.762 -8.547 398 HG3 GLN 60 HG1 GLN 60 3.016 -5.510 -7.748 399 HE21 GLN 60 1HE2 GLN 60 3.378 -6.915 -9.640 400 HE22 GLN 60 2HE2 GLN 60 2.361 -8.242 -9.938 401 H SER 61 H SER 61 1.345 -2.989 -3.898 402 HA SER 61 HA SER 61 -1.354 -3.811 -2.898 403 HB2 SER 61 HB2 SER 61 1.174 -4.535 -1.876 404 HB3 SER 61 HB1 SER 61 0.544 -3.319 -0.769 405 HG SER 61 HG SER 61 -0.843 -4.737 -0.095 406 H ALA 62 H ALA 62 -2.606 -2.123 -2.224 407 HA ALA 62 HA ALA 62 -1.661 0.595 -2.478 408 HB1 ALA 62 HB1 ALA 62 -3.930 0.596 -2.809 409 HB2 ALA 62 HB2 ALA 62 -3.955 0.882 -1.069 410 HB3 ALA 62 HB3 ALA 62 -4.194 -0.747 -1.698 411 H ASP 63 H ASP 63 -2.047 -1.630 0.227 412 HA ASP 63 HA ASP 63 -1.395 0.502 2.168 413 HB2 ASP 63 HB2 ASP 63 -1.897 -2.463 2.573 414 HB3 ASP 63 HB1 ASP 63 -1.718 -1.268 3.858 415 H CYS 64 H CYS 64 0.754 1.037 2.158 416 HA CYS 64 HA CYS 64 2.905 -0.567 1.321 417 HB2 CYS 64 HB2 CYS 64 3.257 1.788 1.693 418 HB3 CYS 64 HB1 CYS 64 2.815 1.642 3.393 419 HA PRO 65 HA PRO 65 2.926 -3.619 4.485 420 HB2 PRO 65 HB2 PRO 65 5.115 -4.929 3.490 421 HB3 PRO 65 HB1 PRO 65 3.488 -5.126 2.839 422 HG2 PRO 65 HG2 PRO 65 5.818 -3.649 1.719 423 HG3 PRO 65 HG1 PRO 65 4.437 -4.374 0.877 424 HD2 PRO 65 HD2 PRO 65 4.765 -1.632 1.431 425 HD3 PRO 65 HD1 PRO 65 3.254 -2.421 0.935 426 H ARG 66 H ARG 66 4.633 -4.504 6.044 427 HA ARG 66 HA ARG 66 6.239 -2.257 7.056 428 HB2 ARG 66 HB2 ARG 66 6.666 -3.776 8.981 429 HB3 ARG 66 HB1 ARG 66 4.943 -3.592 8.651 430 HG2 ARG 66 HG2 ARG 66 4.876 -5.856 8.615 431 HG3 ARG 66 HG1 ARG 66 5.651 -5.725 7.036 432 HD2 ARG 66 HD2 ARG 66 7.641 -6.481 7.819 433 HD3 ARG 66 HD1 ARG 66 7.529 -5.511 9.287 434 HE ARG 66 HE ARG 66 5.651 -7.650 9.474 435 HH11 ARG 66 1HH1 ARG 66 8.881 -7.846 8.569 436 HH12 ARG 66 2HH1 ARG 66 9.372 -8.851 9.891 437 HH21 ARG 66 1HH2 ARG 66 6.344 -8.598 11.557 438 HH22 ARG 66 2HH2 ARG 66 7.938 -9.277 11.582 439 H ASN 67 H ASN 67 8.320 -1.997 6.435 440 HA ASN 67 HA ASN 67 9.861 -4.440 5.651 441 HB2 ASN 67 HB2 ASN 67 9.244 -2.635 3.854 442 HB3 ASN 67 HB1 ASN 67 10.522 -1.691 4.621 443 HD21 ASN 67 1HD2 ASN 67 10.669 -2.797 1.910 444 HD22 ASN 67 2HD2 ASN 67 11.955 -3.905 1.897 445 H GLY 68 H GLY 68 9.714 -1.588 7.604 446 HA2 GLY 68 HA2 GLY 68 12.527 -1.356 8.191 447 HA3 GLY 68 HA1 GLY 68 11.219 -0.682 9.164 448 H LEU 69 H LEU 69 13.582 -2.008 10.199 449 HA LEU 69 HA LEU 69 12.896 -4.716 10.984 450 HB2 LEU 69 HB2 LEU 69 14.769 -4.310 12.694 451 HB3 LEU 69 HB1 LEU 69 15.220 -4.187 10.993 452 HG LEU 69 HG LEU 69 14.246 -1.638 11.967 453 HD11 LEU 69 1HD1 LEU 69 15.432 -3.002 14.011 454 HD12 LEU 69 2HD1 LEU 69 15.492 -1.248 13.838 455 HD13 LEU 69 3HD1 LEU 69 16.836 -2.236 13.268 456 HD21 LEU 69 3HD2 LEU 69 15.614 -1.307 10.177 457 HD22 LEU 69 1HD2 LEU 69 16.499 -2.806 10.461 458 HD23 LEU 69 2HD2 LEU 69 16.914 -1.352 11.368 459 H TYR 70 H TYR 70 11.136 -5.042 12.271 460 HA TYR 70 HA TYR 70 10.936 -3.417 14.759 461 HB2 TYR 70 HB2 TYR 70 8.727 -3.953 12.761 462 HB3 TYR 70 HB1 TYR 70 8.408 -3.457 14.423 463 HD1 TYR 70 HD2 TYR 70 9.236 -1.256 15.258 464 HD2 TYR 70 HD1 TYR 70 9.561 -2.397 11.129 465 HE1 TYR 70 HE2 TYR 70 9.644 1.110 14.637 466 HE2 TYR 70 HE1 TYR 70 9.970 -0.031 10.508 467 HH TYR 70 HH TYR 70 9.395 2.267 11.548 468 H GLY 71 H GLY 71 9.480 -4.519 16.382 469 HA2 GLY 71 HA2 GLY 71 10.085 -7.389 16.414 470 HA3 GLY 71 HA1 GLY 71 9.316 -6.477 17.713 Start of MODEL 18 1 H GLY 1 HT1 GLY 1 -13.572 -7.750 2.727 2 HA2 GLY 1 HA1 GLY 1 -10.760 -6.958 2.198 3 HA3 GLY 1 HA2 GLY 1 -11.361 -8.609 2.352 4 H LYS 2 H LYS 2 -13.354 -9.020 0.832 5 HA LYS 2 HA LYS 2 -12.552 -8.053 -1.865 6 HB2 LYS 2 HB2 LYS 2 -13.852 -9.965 -2.717 7 HB3 LYS 2 HB1 LYS 2 -12.660 -10.500 -1.533 8 HG2 LYS 2 HG2 LYS 2 -14.501 -11.603 -0.698 9 HG3 LYS 2 HG1 LYS 2 -14.709 -10.065 0.140 10 HD2 LYS 2 HD2 LYS 2 -16.709 -9.831 -0.858 11 HD3 LYS 2 HD1 LYS 2 -15.887 -9.754 -2.418 12 HE2 LYS 2 HE2 LYS 2 -16.004 -12.490 -1.483 13 HE3 LYS 2 HE1 LYS 2 -17.620 -11.785 -1.516 14 HZ1 LYS 2 HZ1 LYS 2 -16.876 -12.821 -3.643 15 HZ2 LYS 2 HZ2 LYS 2 -15.709 -11.593 -3.775 16 HZ3 LYS 2 HZ3 LYS 2 -17.363 -11.202 -3.781 17 H GLU 3 H GLU 3 -14.489 -6.873 0.360 18 HA GLU 3 HA GLU 3 -16.728 -6.303 -1.545 19 HB2 GLU 3 HB2 GLU 3 -17.595 -7.467 0.391 20 HB3 GLU 3 HB1 GLU 3 -16.712 -6.399 1.482 21 HG2 GLU 3 HG2 GLU 3 -18.401 -4.914 1.452 22 HG3 GLU 3 HG1 GLU 3 -18.306 -4.807 -0.306 23 H CYS 4 H CYS 4 -16.131 -4.599 1.446 24 HA CYS 4 HA CYS 4 -16.064 -2.081 -0.018 25 HB2 CYS 4 HB2 CYS 4 -17.091 -2.374 2.279 26 HB3 CYS 4 HB1 CYS 4 -15.456 -2.537 2.920 27 H ASP 5 H ASP 5 -14.251 -1.364 -0.979 28 HA ASP 5 HA ASP 5 -11.625 -2.420 -0.157 29 HB2 ASP 5 HB2 ASP 5 -12.181 -2.303 -2.551 30 HB3 ASP 5 HB1 ASP 5 -12.409 -0.559 -2.422 31 H CYS 6 H CYS 6 -13.543 0.364 0.442 32 HA CYS 6 HA CYS 6 -11.237 1.602 1.833 33 HB2 CYS 6 HB2 CYS 6 -11.541 3.761 0.828 34 HB3 CYS 6 HB1 CYS 6 -11.427 2.600 -0.495 35 H SER 7 H SER 7 -11.858 2.708 3.692 36 HA SER 7 HA SER 7 -14.673 2.356 4.510 37 HB2 SER 7 HB2 SER 7 -12.086 2.768 5.859 38 HB3 SER 7 HB1 SER 7 -13.429 3.636 6.597 39 HG SER 7 HG SER 7 -13.790 0.968 5.823 40 H SER 8 H SER 8 -12.535 4.863 3.413 41 HA SER 8 HA SER 8 -14.042 7.092 4.479 42 HB2 SER 8 HB2 SER 8 -11.684 7.312 3.786 43 HB3 SER 8 HB1 SER 8 -12.141 6.967 2.121 44 HG SER 8 HG SER 8 -13.407 8.839 2.143 45 HA PRO 9 HA PRO 9 -17.266 6.555 1.399 46 HB2 PRO 9 HB2 PRO 9 -18.987 8.355 2.570 47 HB3 PRO 9 HB1 PRO 9 -18.809 6.677 3.112 48 HG2 PRO 9 HG2 PRO 9 -17.797 9.177 4.383 49 HG3 PRO 9 HG1 PRO 9 -18.204 7.623 5.131 50 HD2 PRO 9 HD2 PRO 9 -15.593 8.545 4.549 51 HD3 PRO 9 HD1 PRO 9 -16.041 6.880 4.976 52 H GLU 10 H GLU 10 -15.763 9.545 2.477 53 HA GLU 10 HA GLU 10 -16.831 11.077 0.196 54 HB2 GLU 10 HB2 GLU 10 -15.360 11.671 2.686 55 HB3 GLU 10 HB1 GLU 10 -14.876 12.651 1.299 56 HG2 GLU 10 HG2 GLU 10 -16.683 13.820 2.366 57 HG3 GLU 10 HG1 GLU 10 -17.342 13.102 0.896 58 H ASN 11 H ASN 11 -14.741 8.695 0.244 59 HA ASN 11 HA ASN 11 -12.435 9.930 -1.075 60 HB2 ASN 11 HB2 ASN 11 -12.365 7.848 0.402 61 HB3 ASN 11 HB1 ASN 11 -13.124 6.987 -0.937 62 HD21 ASN 11 1HD2 ASN 11 -10.678 6.007 -0.339 63 HD22 ASN 11 2HD2 ASN 11 -9.494 6.537 -1.434 64 HA PRO 12 HA PRO 12 -14.601 9.660 -4.987 65 HB2 PRO 12 HB2 PRO 12 -12.660 10.970 -6.430 66 HB3 PRO 12 HB1 PRO 12 -13.875 11.799 -5.441 67 HG2 PRO 12 HG2 PRO 12 -10.978 11.360 -4.878 68 HG3 PRO 12 HG1 PRO 12 -12.048 12.652 -4.309 69 HD2 PRO 12 HD2 PRO 12 -11.231 10.404 -2.801 70 HD3 PRO 12 HD1 PRO 12 -12.562 11.507 -2.389 71 H CYS 13 H CYS 13 -11.899 8.025 -3.932 72 HA CYS 13 HA CYS 13 -11.116 6.922 -6.555 73 HB2 CYS 13 HB2 CYS 13 -10.187 6.392 -3.721 74 HB3 CYS 13 HB1 CYS 13 -9.582 5.495 -5.111 75 H CYS 14 H CYS 14 -13.379 6.248 -4.058 76 HA CYS 14 HA CYS 14 -13.978 3.647 -5.372 77 HB2 CYS 14 HB2 CYS 14 -14.424 2.758 -2.982 78 HB3 CYS 14 HB1 CYS 14 -12.748 2.860 -3.522 79 H ASP 15 H ASP 15 -16.119 2.967 -5.171 80 HA ASP 15 HA ASP 15 -18.080 5.099 -4.906 81 HB2 ASP 15 HB2 ASP 15 -18.014 2.907 -6.429 82 HB3 ASP 15 HB1 ASP 15 -18.848 2.216 -5.045 83 H ALA 16 H ALA 16 -18.795 5.728 -2.924 84 HA ALA 16 HA ALA 16 -18.415 4.200 -0.524 85 HB1 ALA 16 HB1 ALA 16 -18.677 6.682 -0.584 86 HB2 ALA 16 HB2 ALA 16 -19.785 5.913 0.552 87 HB3 ALA 16 HB3 ALA 16 -20.373 6.464 -1.017 88 H ALA 17 H ALA 17 -21.251 4.696 -2.630 89 HA ALA 17 HA ALA 17 -23.212 3.395 -1.109 90 HB1 ALA 17 HB1 ALA 17 -22.851 3.048 -4.100 91 HB2 ALA 17 HB2 ALA 17 -23.550 4.489 -3.361 92 HB3 ALA 17 HB3 ALA 17 -24.357 2.930 -3.190 93 H THR 18 H THR 18 -21.179 1.836 -3.609 94 HA THR 18 HA THR 18 -21.852 -0.819 -2.597 95 HB THR 18 HB THR 18 -20.376 -1.627 -4.357 96 HG1 THR 18 HG1 THR 18 -19.220 0.769 -3.955 97 HG21 THR 18 3HG2 THR 18 -22.614 -0.763 -5.004 98 HG22 THR 18 1HG2 THR 18 -21.425 -0.576 -6.295 99 HG23 THR 18 2HG2 THR 18 -21.889 0.816 -5.315 100 H CYS 19 H CYS 19 -19.454 1.583 -1.976 101 HA CYS 19 HA CYS 19 -17.854 1.624 -0.243 102 HB2 CYS 19 HB2 CYS 19 -19.497 -0.392 0.576 103 HB3 CYS 19 HB1 CYS 19 -17.987 -1.270 0.343 104 H LYS 20 H LYS 20 -17.644 0.198 -3.136 105 HA LYS 20 HA LYS 20 -14.851 -0.764 -2.623 106 HB2 LYS 20 HB2 LYS 20 -16.430 -1.562 -5.053 107 HB3 LYS 20 HB1 LYS 20 -15.057 -2.379 -4.311 108 HG2 LYS 20 HG2 LYS 20 -16.585 -3.724 -3.332 109 HG3 LYS 20 HG1 LYS 20 -16.955 -2.355 -2.283 110 HD2 LYS 20 HD2 LYS 20 -19.064 -2.736 -3.131 111 HD3 LYS 20 HD1 LYS 20 -18.455 -1.659 -4.388 112 HE2 LYS 20 HE2 LYS 20 -17.856 -4.557 -4.699 113 HE3 LYS 20 HE1 LYS 20 -19.526 -4.057 -4.960 114 HZ1 LYS 20 HZ1 LYS 20 -18.742 -3.644 -7.018 115 HZ2 LYS 20 HZ2 LYS 20 -17.136 -3.436 -6.501 116 HZ3 LYS 20 HZ3 LYS 20 -18.260 -2.175 -6.319 117 H LEU 21 H LEU 21 -13.821 -0.757 -5.142 118 HA LEU 21 HA LEU 21 -13.233 1.991 -5.614 119 HB2 LEU 21 HB2 LEU 21 -12.818 -0.532 -7.201 120 HB3 LEU 21 HB1 LEU 21 -12.404 1.036 -7.895 121 HG LEU 21 HG LEU 21 -11.364 1.056 -5.270 122 HD11 LEU 21 1HD1 LEU 21 -11.716 -1.555 -5.769 123 HD12 LEU 21 2HD1 LEU 21 -10.301 -0.957 -4.903 124 HD13 LEU 21 3HD1 LEU 21 -10.188 -1.332 -6.622 125 HD21 LEU 21 3HD2 LEU 21 -10.543 1.488 -7.961 126 HD22 LEU 21 1HD2 LEU 21 -9.350 0.416 -7.225 127 HD23 LEU 21 2HD2 LEU 21 -9.707 1.979 -6.488 128 H ARG 22 H ARG 22 -13.987 3.427 -7.263 129 HA ARG 22 HA ARG 22 -16.627 2.616 -8.385 130 HB2 ARG 22 HB2 ARG 22 -17.113 4.520 -7.192 131 HB3 ARG 22 HB1 ARG 22 -15.520 5.222 -7.437 132 HG2 ARG 22 HG2 ARG 22 -16.111 5.644 -9.826 133 HG3 ARG 22 HG1 ARG 22 -17.724 5.004 -9.513 134 HD2 ARG 22 HD2 ARG 22 -18.340 6.821 -8.200 135 HD3 ARG 22 HD1 ARG 22 -16.675 7.202 -7.762 136 HE ARG 22 HE ARG 22 -16.626 7.745 -10.412 137 HH11 ARG 22 1HH2 ARG 22 -18.387 8.851 -7.701 138 HH12 ARG 22 2HH2 ARG 22 -19.185 10.129 -8.556 139 HH21 ARG 22 1HH1 ARG 22 -17.895 9.229 -11.645 140 HH22 ARG 22 2HH1 ARG 22 -18.908 10.342 -10.787 141 HA PRO 23 HA PRO 23 -14.611 4.480 -12.245 142 HB2 PRO 23 HB2 PRO 23 -12.197 5.775 -12.031 143 HB3 PRO 23 HB1 PRO 23 -13.761 6.591 -11.856 144 HG2 PRO 23 HG2 PRO 23 -11.805 5.796 -9.740 145 HG3 PRO 23 HG1 PRO 23 -12.948 7.149 -9.760 146 HD2 PRO 23 HD2 PRO 23 -13.325 4.748 -8.358 147 HD3 PRO 23 HD1 PRO 23 -14.597 5.912 -8.780 148 H GLY 24 H GLY 24 -12.321 4.130 -13.548 149 HA2 GLY 24 HA2 GLY 24 -11.611 1.359 -13.077 150 HA3 GLY 24 HA1 GLY 24 -10.879 2.418 -14.285 151 H ALA 25 H ALA 25 -10.973 2.010 -10.728 152 HA ALA 25 HA ALA 25 -8.114 2.884 -10.678 153 HB1 ALA 25 HB1 ALA 25 -8.805 3.103 -8.107 154 HB2 ALA 25 HB2 ALA 25 -10.414 3.263 -8.811 155 HB3 ALA 25 HB3 ALA 25 -9.139 4.393 -9.262 156 H GLN 26 H GLN 26 -6.716 1.748 -9.136 157 HA GLN 26 HA GLN 26 -7.375 -1.134 -9.017 158 HB2 GLN 26 HB2 GLN 26 -4.963 0.449 -9.219 159 HB3 GLN 26 HB1 GLN 26 -4.849 -0.651 -7.845 160 HG2 GLN 26 HG2 GLN 26 -4.624 -2.439 -9.196 161 HG3 GLN 26 HG1 GLN 26 -6.031 -1.966 -10.149 162 HE21 GLN 26 1HE2 GLN 26 -4.729 -2.628 -12.098 163 HE22 GLN 26 2HE2 GLN 26 -3.573 -1.554 -12.722 164 H CYS 27 H CYS 27 -6.629 1.582 -6.873 165 HA CYS 27 HA CYS 27 -7.794 0.015 -4.631 166 HB2 CYS 27 HB2 CYS 27 -5.731 -0.199 -3.723 167 HB3 CYS 27 HB1 CYS 27 -5.020 0.870 -4.921 168 H GLY 28 H GLY 28 -8.610 1.437 -2.897 169 HA2 GLY 28 HA2 GLY 28 -9.500 4.047 -3.995 170 HA3 GLY 28 HA1 GLY 28 -10.245 3.207 -2.640 171 H GLU 29 H GLU 29 -7.849 2.596 -1.259 172 HA GLU 29 HA GLU 29 -6.546 5.195 -0.755 173 HB2 GLU 29 HB2 GLU 29 -7.116 5.160 1.606 174 HB3 GLU 29 HB1 GLU 29 -8.595 5.140 0.660 175 HG2 GLU 29 HG2 GLU 29 -9.210 3.226 1.653 176 HG3 GLU 29 HG1 GLU 29 -7.765 2.438 1.018 177 H GLY 30 H GLY 30 -4.490 4.926 0.250 178 HA2 GLY 30 HA2 GLY 30 -3.437 2.797 1.646 179 HA3 GLY 30 HA1 GLY 30 -3.350 2.248 -0.030 180 H LEU 31 H LEU 31 -1.120 2.902 1.787 181 HA LEU 31 HA LEU 31 0.032 5.439 1.248 182 HB2 LEU 31 HB2 LEU 31 1.221 2.738 1.883 183 HB3 LEU 31 HB1 LEU 31 2.246 4.146 1.599 184 HG LEU 31 HG LEU 31 0.476 5.227 3.326 185 HD11 LEU 31 1HD1 LEU 31 0.650 2.274 3.982 186 HD12 LEU 31 2HD1 LEU 31 -0.809 3.221 3.700 187 HD13 LEU 31 3HD1 LEU 31 0.156 3.500 5.149 188 HD21 LEU 31 3HD2 LEU 31 3.022 5.056 3.424 189 HD22 LEU 31 1HD2 LEU 31 2.796 3.531 4.280 190 HD23 LEU 31 2HD2 LEU 31 2.197 5.034 4.983 191 H CYS 32 H CYS 32 0.298 2.371 -0.542 192 HA CYS 32 HA CYS 32 1.853 3.740 -2.657 193 HB2 CYS 32 HB2 CYS 32 0.926 0.917 -2.956 194 HB3 CYS 32 HB1 CYS 32 2.464 1.640 -3.408 195 H CYS 33 H CYS 33 -0.850 4.634 -2.283 196 HA CYS 33 HA CYS 33 -2.108 3.581 -4.778 197 HB2 CYS 33 HB2 CYS 33 -3.365 4.685 -2.259 198 HB3 CYS 33 HB1 CYS 33 -4.266 4.468 -3.761 199 H GLU 34 H GLU 34 -1.497 5.032 -6.336 200 HA GLU 34 HA GLU 34 -1.770 7.942 -5.707 201 HB2 GLU 34 HB2 GLU 34 0.032 6.374 -7.507 202 HB3 GLU 34 HB1 GLU 34 -0.445 7.991 -8.028 203 HG2 GLU 34 HG2 GLU 34 0.311 8.878 -5.815 204 HG3 GLU 34 HG1 GLU 34 0.897 7.265 -5.407 205 H GLN 35 H GLN 35 -3.444 8.996 -6.686 206 HA GLN 35 HA GLN 35 -5.246 9.395 -8.137 207 HB2 GLN 35 HB2 GLN 35 -3.671 7.597 -10.007 208 HB3 GLN 35 HB1 GLN 35 -4.975 8.691 -10.471 209 HG2 GLN 35 HG2 GLN 35 -3.201 10.291 -9.009 210 HG3 GLN 35 HG1 GLN 35 -2.163 9.278 -10.014 211 HE21 GLN 35 1HE2 GLN 35 -3.872 12.166 -10.053 212 HE22 GLN 35 2HE2 GLN 35 -4.065 12.338 -11.731 213 H CYS 36 H CYS 36 -5.232 7.099 -6.280 214 HA CYS 36 HA CYS 36 -6.725 5.363 -5.760 215 HB2 CYS 36 HB2 CYS 36 -8.058 5.661 -8.438 216 HB3 CYS 36 HB1 CYS 36 -8.775 5.254 -6.875 217 H LYS 37 H LYS 37 -4.251 5.167 -7.603 218 HA LYS 37 HA LYS 37 -4.870 2.416 -8.606 219 HB2 LYS 37 HB2 LYS 37 -3.837 4.721 -10.044 220 HB3 LYS 37 HB1 LYS 37 -2.698 3.375 -10.104 221 HG2 LYS 37 HG2 LYS 37 -4.078 2.097 -11.384 222 HG3 LYS 37 HG1 LYS 37 -5.522 2.610 -10.509 223 HD2 LYS 37 HD2 LYS 37 -6.015 3.913 -12.280 224 HD3 LYS 37 HD1 LYS 37 -4.637 4.918 -11.830 225 HE2 LYS 37 HE2 LYS 37 -3.256 3.085 -13.126 226 HE3 LYS 37 HE1 LYS 37 -4.804 2.753 -13.901 227 HZ1 LYS 37 HZ1 LYS 37 -3.514 5.423 -13.748 228 HZ2 LYS 37 HZ2 LYS 37 -4.961 5.051 -14.558 229 HZ3 LYS 37 HZ3 LYS 37 -3.487 4.408 -15.107 230 H PHE 38 H PHE 38 -2.680 1.168 -8.907 231 HA PHE 38 HA PHE 38 -1.301 1.270 -6.333 232 HB2 PHE 38 HB2 PHE 38 -1.152 -0.485 -8.764 233 HB3 PHE 38 HB1 PHE 38 0.152 -0.532 -7.587 234 HD1 PHE 38 HD1 PHE 38 -2.997 0.384 -6.131 235 HD2 PHE 38 HD2 PHE 38 -0.629 -2.979 -7.366 236 HE1 PHE 38 HE1 PHE 38 -4.346 -1.104 -4.676 237 HE2 PHE 38 HE2 PHE 38 -1.977 -4.466 -5.914 238 HZ PHE 38 HZ PHE 38 -3.838 -3.528 -4.568 239 H SER 39 H SER 39 0.450 2.545 -5.940 240 HA SER 39 HA SER 39 1.734 4.087 -7.992 241 HB2 SER 39 HB2 SER 39 2.897 3.373 -5.281 242 HB3 SER 39 HB1 SER 39 3.282 4.776 -6.271 243 HG SER 39 HG SER 39 0.606 4.403 -5.639 244 H ARG 40 H ARG 40 4.444 3.040 -6.530 245 HA ARG 40 HA ARG 40 4.757 0.602 -8.196 246 HB2 ARG 40 HB2 ARG 40 6.236 3.187 -8.503 247 HB3 ARG 40 HB1 ARG 40 7.127 1.682 -8.742 248 HG2 ARG 40 HG2 ARG 40 4.471 1.846 -10.061 249 HG3 ARG 40 HG1 ARG 40 5.729 2.894 -10.719 250 HD2 ARG 40 HD2 ARG 40 7.189 1.032 -11.125 251 HD3 ARG 40 HD1 ARG 40 6.151 -0.060 -10.208 252 HE ARG 40 HE ARG 40 4.735 -0.231 -12.099 253 HH11 ARG 40 1HH2 ARG 40 4.482 2.744 -12.569 254 HH12 ARG 40 2HH2 ARG 40 5.205 2.913 -14.134 255 HH21 ARG 40 1HH1 ARG 40 6.750 -0.190 -14.050 256 HH22 ARG 40 2HH1 ARG 40 6.489 1.253 -14.972 257 H ALA 41 H ALA 41 6.666 -0.677 -7.532 258 HA ALA 41 HA ALA 41 7.024 -0.660 -4.655 259 HB1 ALA 41 HB1 ALA 41 7.426 -2.516 -6.694 260 HB2 ALA 41 HB2 ALA 41 7.880 -2.733 -5.003 261 HB3 ALA 41 HB3 ALA 41 9.063 -2.128 -6.163 262 H GLY 42 H GLY 42 9.379 -0.633 -3.741 263 HA2 GLY 42 HA2 GLY 42 11.401 0.566 -3.475 264 HA3 GLY 42 HA1 GLY 42 11.320 0.956 -5.193 265 H LYS 43 H LYS 43 8.580 1.588 -3.121 266 HA LYS 43 HA LYS 43 9.113 4.509 -3.497 267 HB2 LYS 43 HB2 LYS 43 7.050 4.431 -4.421 268 HB3 LYS 43 HB1 LYS 43 6.727 2.833 -3.767 269 HG2 LYS 43 HG2 LYS 43 5.129 4.530 -2.906 270 HG3 LYS 43 HG1 LYS 43 6.088 3.834 -1.603 271 HD2 LYS 43 HD2 LYS 43 7.049 5.823 -1.120 272 HD3 LYS 43 HD1 LYS 43 7.373 6.163 -2.820 273 HE2 LYS 43 HE2 LYS 43 4.832 6.637 -2.996 274 HE3 LYS 43 HE1 LYS 43 4.874 6.734 -1.236 275 HZ1 LYS 43 HZ1 LYS 43 6.998 8.229 -1.971 276 HZ2 LYS 43 HZ2 LYS 43 5.464 8.842 -1.571 277 HZ3 LYS 43 HZ3 LYS 43 5.879 8.581 -3.198 278 H ILE 44 H ILE 44 9.782 5.545 -1.728 279 HA ILE 44 HA ILE 44 9.879 4.392 0.870 280 HB ILE 44 HB ILE 44 11.343 6.243 0.068 281 HG12 ILE 44 2HG1 ILE 44 11.468 7.368 2.182 282 HG13 ILE 44 1HG1 ILE 44 9.760 7.069 2.513 283 HG21 ILE 44 1HG2 ILE 44 9.239 8.227 0.741 284 HG22 ILE 44 2HG2 ILE 44 9.078 7.401 -0.809 285 HG23 ILE 44 3HG2 ILE 44 10.538 8.322 -0.447 286 HD11 ILE 44 3HD1 ILE 44 10.113 4.874 3.087 287 HD12 ILE 44 1HD1 ILE 44 11.695 5.518 3.521 288 HD13 ILE 44 2HD1 ILE 44 11.473 4.695 1.979 289 H CYS 45 H CYS 45 7.538 3.687 0.963 290 HA CYS 45 HA CYS 45 5.326 5.398 1.081 291 HB2 CYS 45 HB2 CYS 45 4.548 3.715 2.981 292 HB3 CYS 45 HB1 CYS 45 4.644 3.214 1.299 293 H ARG 46 H ARG 46 7.778 4.850 3.596 294 HA ARG 46 HA ARG 46 6.891 7.332 4.904 295 HB2 ARG 46 HB2 ARG 46 5.836 4.870 5.789 296 HB3 ARG 46 HB1 ARG 46 7.071 5.315 6.966 297 HG2 ARG 46 HG2 ARG 46 5.517 7.638 6.211 298 HG3 ARG 46 HG1 ARG 46 4.459 6.350 6.787 299 HD2 ARG 46 HD2 ARG 46 6.884 6.657 8.409 300 HD3 ARG 46 HD1 ARG 46 5.864 8.096 8.406 301 HE ARG 46 HE ARG 46 4.046 6.103 8.873 302 HH11 ARG 46 1HH1 ARG 46 5.861 8.007 10.777 303 HH12 ARG 46 2HH1 ARG 46 6.060 6.896 12.091 304 HH21 ARG 46 1HH2 ARG 46 4.840 4.173 10.324 305 HH22 ARG 46 2HH2 ARG 46 5.481 4.726 11.835 306 H ILE 47 H ILE 47 8.220 7.217 7.240 307 HA ILE 47 HA ILE 47 11.036 6.743 6.369 308 HB ILE 47 HB ILE 47 10.579 8.477 8.714 309 HG12 ILE 47 2HG1 ILE 47 8.624 9.043 7.209 310 HG13 ILE 47 1HG1 ILE 47 9.747 10.379 7.466 311 HG21 ILE 47 1HG2 ILE 47 12.301 9.780 7.635 312 HG22 ILE 47 2HG2 ILE 47 12.065 8.917 6.114 313 HG23 ILE 47 3HG2 ILE 47 12.747 8.079 7.509 314 HD11 ILE 47 3HD1 ILE 47 10.709 8.888 5.241 315 HD12 ILE 47 1HD1 ILE 47 10.058 10.527 5.245 316 HD13 ILE 47 2HD1 ILE 47 8.982 9.152 4.988 317 H ALA 48 H ALA 48 12.503 6.441 8.426 318 HA ALA 48 HA ALA 48 11.192 4.336 10.085 319 HB1 ALA 48 HB1 ALA 48 14.135 4.606 10.171 320 HB2 ALA 48 HB2 ALA 48 13.476 4.168 8.595 321 HB3 ALA 48 HB3 ALA 48 13.142 3.158 10.002 322 H ARG 49 H ARG 49 11.532 4.346 12.362 323 HA ARG 49 HA ARG 49 11.711 6.986 13.547 324 HB2 ARG 49 HB2 ARG 49 11.463 4.186 14.645 325 HB3 ARG 49 HB1 ARG 49 11.712 5.564 15.718 326 HG2 ARG 49 HG2 ARG 49 9.514 6.024 15.603 327 HG3 ARG 49 HG1 ARG 49 9.684 6.307 13.870 328 HD2 ARG 49 HD2 ARG 49 8.581 4.403 13.403 329 HD3 ARG 49 HD1 ARG 49 9.701 3.470 14.396 330 HE ARG 49 HE ARG 49 7.702 4.926 15.954 331 HH11 ARG 49 1HH1 ARG 49 7.559 2.447 13.679 332 HH12 ARG 49 2HH1 ARG 49 6.841 1.282 14.741 333 HH21 ARG 49 1HH2 ARG 49 7.175 3.259 17.570 334 HH22 ARG 49 2HH2 ARG 49 6.622 1.742 16.942 335 H GLY 50 H GLY 50 13.948 7.390 12.601 336 HA2 GLY 50 HA2 GLY 50 15.977 7.753 14.282 337 HA3 GLY 50 HA1 GLY 50 16.124 6.008 14.073 338 H ASP 51 H ASP 51 17.723 5.567 12.636 339 HA ASP 51 HA ASP 51 17.740 7.056 10.063 340 HB2 ASP 51 HB2 ASP 51 19.989 6.872 12.050 341 HB3 ASP 51 HB1 ASP 51 20.351 6.968 10.326 342 H TRP 52 H TRP 52 16.721 4.532 10.286 343 HA TRP 52 HA TRP 52 18.887 2.867 9.073 344 HB2 TRP 52 HB2 TRP 52 17.495 0.898 10.070 345 HB3 TRP 52 HB1 TRP 52 18.562 1.800 11.142 346 HD1 TRP 52 HD TRP 52 14.962 2.500 9.887 347 HE1 TRP 52 HE1 TRP 52 13.494 3.026 11.940 348 HE3 TRP 52 HE3 TRP 52 18.413 1.922 13.601 349 HZ2 TRP 52 HZ2 TRP 52 13.754 3.182 14.787 350 HZ3 TRP 52 HZ3 TRP 52 17.780 2.269 15.971 351 HH2 TRP 52 HH TRP 52 15.458 2.898 16.569 352 H ASN 53 H ASN 53 17.292 0.723 8.263 353 HA ASN 53 HA ASN 53 16.275 1.513 5.803 354 HB2 ASN 53 HB2 ASN 53 16.016 -0.845 7.516 355 HB3 ASN 53 HB1 ASN 53 14.593 -0.584 6.506 356 HD21 ASN 53 1HD2 ASN 53 14.952 -0.469 4.123 357 HD22 ASN 53 2HD2 ASN 53 16.329 -1.189 3.441 358 H ASP 54 H ASP 54 14.400 2.438 5.082 359 HA ASP 54 HA ASP 54 12.454 3.329 7.149 360 HB2 ASP 54 HB2 ASP 54 12.789 4.201 4.264 361 HB3 ASP 54 HB1 ASP 54 11.708 4.936 5.448 362 H ASP 55 H ASP 55 10.484 3.715 4.819 363 HA ASP 55 HA ASP 55 9.603 0.857 4.707 364 HB2 ASP 55 HB2 ASP 55 7.738 3.221 4.525 365 HB3 ASP 55 HB1 ASP 55 7.360 1.552 4.952 366 H ARG 56 H ARG 56 9.440 0.037 2.677 367 HA ARG 56 HA ARG 56 9.344 1.967 0.390 368 HB2 ARG 56 HB2 ARG 56 11.412 0.431 0.762 369 HB3 ARG 56 HB1 ARG 56 10.358 -0.861 0.190 370 HG2 ARG 56 HG2 ARG 56 10.785 -0.220 -1.915 371 HG3 ARG 56 HG1 ARG 56 9.983 1.314 -1.575 372 HD2 ARG 56 HD2 ARG 56 12.091 2.067 -2.198 373 HD3 ARG 56 HD1 ARG 56 12.299 1.917 -0.452 374 HE ARG 56 HE ARG 56 13.042 -0.569 -1.418 375 HH11 ARG 56 1HH2 ARG 56 13.747 1.248 -3.831 376 HH12 ARG 56 2HH2 ARG 56 15.428 1.526 -3.524 377 HH21 ARG 56 1HH1 ARG 56 15.284 0.410 -0.244 378 HH22 ARG 56 2HH1 ARG 56 16.300 1.052 -1.492 379 H CYS 57 H CYS 57 7.593 1.830 -0.889 380 HA CYS 57 HA CYS 57 5.458 -0.025 -0.322 381 HB2 CYS 57 HB2 CYS 57 5.985 2.136 -2.284 382 HB3 CYS 57 HB1 CYS 57 4.810 0.921 -2.769 383 H THR 58 H THR 58 4.724 -1.747 -1.675 384 HA THR 58 HA THR 58 6.902 -3.174 -3.036 385 HB THR 58 HB THR 58 4.408 -4.521 -3.326 386 HG1 THR 58 HG1 THR 58 3.902 -4.581 -1.044 387 HG21 THR 58 3HG2 THR 58 6.960 -4.844 -1.804 388 HG22 THR 58 1HG2 THR 58 6.236 -5.901 -3.018 389 HG23 THR 58 2HG2 THR 58 5.598 -5.880 -1.374 390 H GLY 59 H GLY 59 4.343 -1.070 -3.903 391 HA2 GLY 59 HA2 GLY 59 3.946 -0.193 -6.083 392 HA3 GLY 59 HA1 GLY 59 4.964 -1.469 -6.752 393 H GLN 60 H GLN 60 3.788 -3.751 -5.803 394 HA GLN 60 HA GLN 60 1.245 -3.762 -7.307 395 HB2 GLN 60 HB2 GLN 60 3.165 -5.847 -6.325 396 HB3 GLN 60 HB1 GLN 60 1.497 -6.317 -6.652 397 HG2 GLN 60 HG2 GLN 60 2.984 -4.687 -8.687 398 HG3 GLN 60 HG1 GLN 60 3.288 -6.421 -8.583 399 HE21 GLN 60 1HE2 GLN 60 1.838 -4.841 -10.732 400 HE22 GLN 60 2HE2 GLN 60 0.307 -5.567 -10.849 401 H SER 61 H SER 61 2.002 -2.961 -4.263 402 HA SER 61 HA SER 61 -0.506 -4.179 -3.178 403 HB2 SER 61 HB2 SER 61 2.090 -3.656 -1.703 404 HB3 SER 61 HB1 SER 61 0.594 -4.193 -0.946 405 HG SER 61 HG SER 61 2.120 -5.534 -2.933 406 H ALA 62 H ALA 62 -1.966 -2.606 -2.723 407 HA ALA 62 HA ALA 62 -1.427 0.173 -2.907 408 HB1 ALA 62 HB1 ALA 62 -3.615 0.162 -1.318 409 HB2 ALA 62 HB2 ALA 62 -3.670 -1.498 -1.907 410 HB3 ALA 62 HB3 ALA 62 -3.689 -0.157 -3.051 411 H ASP 63 H ASP 63 -1.574 -1.955 -0.054 412 HA ASP 63 HA ASP 63 -0.908 0.269 1.744 413 HB2 ASP 63 HB2 ASP 63 -0.777 -1.596 3.460 414 HB3 ASP 63 HB1 ASP 63 -2.337 -1.442 2.653 415 H CYS 64 H CYS 64 1.100 0.492 2.840 416 HA CYS 64 HA CYS 64 3.399 -0.579 1.342 417 HB2 CYS 64 HB2 CYS 64 3.725 1.688 1.854 418 HB3 CYS 64 HB1 CYS 64 3.023 1.534 3.457 419 HA PRO 65 HA PRO 65 4.081 -3.842 4.179 420 HB2 PRO 65 HB2 PRO 65 6.517 -4.547 3.154 421 HB3 PRO 65 HB1 PRO 65 4.990 -4.982 2.388 422 HG2 PRO 65 HG2 PRO 65 7.007 -2.949 1.582 423 HG3 PRO 65 HG1 PRO 65 5.817 -3.807 0.587 424 HD2 PRO 65 HD2 PRO 65 5.597 -1.146 1.517 425 HD3 PRO 65 HD1 PRO 65 4.299 -2.118 0.795 426 H ARG 66 H ARG 66 5.383 -4.201 6.068 427 HA ARG 66 HA ARG 66 6.755 -1.864 7.108 428 HB2 ARG 66 HB2 ARG 66 5.608 -4.196 8.188 429 HB3 ARG 66 HB1 ARG 66 7.326 -4.298 8.577 430 HG2 ARG 66 HG2 ARG 66 6.951 -1.720 9.190 431 HG3 ARG 66 HG1 ARG 66 5.302 -2.288 9.456 432 HD2 ARG 66 HD2 ARG 66 7.058 -4.208 10.613 433 HD3 ARG 66 HD1 ARG 66 7.586 -2.615 11.155 434 HE ARG 66 HE ARG 66 5.169 -2.268 11.887 435 HH11 ARG 66 1HH1 ARG 66 5.138 -5.285 10.604 436 HH12 ARG 66 2HH1 ARG 66 4.666 -6.126 12.042 437 HH21 ARG 66 1HH2 ARG 66 5.157 -3.393 14.120 438 HH22 ARG 66 2HH2 ARG 66 4.678 -5.056 14.033 439 H ASN 67 H ASN 67 8.867 -1.361 6.775 440 HA ASN 67 HA ASN 67 10.784 -3.583 6.251 441 HB2 ASN 67 HB2 ASN 67 10.007 -1.403 4.431 442 HB3 ASN 67 HB1 ASN 67 11.750 -1.559 4.656 443 HD21 ASN 67 1HD2 ASN 67 10.584 -2.216 2.150 444 HD22 ASN 67 2HD2 ASN 67 10.696 -3.895 1.916 445 H GLY 68 H GLY 68 10.076 -1.494 8.455 446 HA2 GLY 68 HA2 GLY 68 12.248 0.331 8.696 447 HA3 GLY 68 HA1 GLY 68 11.299 -0.282 10.051 448 H LEU 69 H LEU 69 13.236 -0.490 11.344 449 HA LEU 69 HA LEU 69 15.130 -2.606 10.418 450 HB2 LEU 69 HB2 LEU 69 16.213 -0.491 10.997 451 HB3 LEU 69 HB1 LEU 69 15.427 -0.494 12.576 452 HG LEU 69 HG LEU 69 16.844 -2.993 12.049 453 HD11 LEU 69 1HD1 LEU 69 18.277 -1.374 10.761 454 HD12 LEU 69 2HD1 LEU 69 19.101 -2.116 12.132 455 HD13 LEU 69 3HD1 LEU 69 18.501 -0.462 12.255 456 HD21 LEU 69 3HD2 LEU 69 16.544 -2.802 14.291 457 HD22 LEU 69 1HD2 LEU 69 16.342 -1.053 14.198 458 HD23 LEU 69 2HD2 LEU 69 17.961 -1.751 14.254 459 H TYR 70 H TYR 70 12.364 -2.490 12.069 460 HA TYR 70 HA TYR 70 13.277 -4.232 14.307 461 HB2 TYR 70 HB2 TYR 70 10.566 -2.965 13.796 462 HB3 TYR 70 HB1 TYR 70 11.024 -3.877 15.235 463 HD1 TYR 70 HD2 TYR 70 13.626 -2.995 15.975 464 HD2 TYR 70 HD1 TYR 70 10.420 -0.689 14.285 465 HE1 TYR 70 HE2 TYR 70 14.574 -0.936 16.984 466 HE2 TYR 70 HE1 TYR 70 11.368 1.369 15.292 467 HH TYR 70 HH TYR 70 14.476 1.322 16.989 468 H GLY 71 H GLY 71 12.745 -6.395 14.332 469 HA2 GLY 71 HA2 GLY 71 11.864 -7.654 11.903 470 HA3 GLY 71 HA1 GLY 71 12.055 -8.463 13.458 Start of MODEL 19 1 H GLY 1 HT1 GLY 1 -13.284 -9.542 -2.287 2 HA2 GLY 1 HA1 GLY 1 -11.405 -11.171 -0.693 3 HA3 GLY 1 HA2 GLY 1 -10.875 -9.718 -1.541 4 H LYS 2 H LYS 2 -11.130 -7.815 -0.463 5 HA LYS 2 HA LYS 2 -12.551 -7.844 2.115 6 HB2 LYS 2 HB2 LYS 2 -10.344 -6.431 1.041 7 HB3 LYS 2 HB1 LYS 2 -11.599 -5.231 1.353 8 HG2 LYS 2 HG2 LYS 2 -10.330 -5.449 3.383 9 HG3 LYS 2 HG1 LYS 2 -11.869 -6.267 3.653 10 HD2 LYS 2 HD2 LYS 2 -9.886 -8.058 2.487 11 HD3 LYS 2 HD1 LYS 2 -9.335 -7.377 4.019 12 HE2 LYS 2 HE2 LYS 2 -12.155 -8.237 4.020 13 HE3 LYS 2 HE1 LYS 2 -10.996 -9.548 3.802 14 HZ1 LYS 2 HZ1 LYS 2 -10.020 -9.149 5.823 15 HZ2 LYS 2 HZ2 LYS 2 -11.641 -8.780 6.174 16 HZ3 LYS 2 HZ3 LYS 2 -10.525 -7.532 5.887 17 H GLU 3 H GLU 3 -13.838 -5.643 2.518 18 HA GLU 3 HA GLU 3 -15.648 -5.256 0.165 19 HB2 GLU 3 HB2 GLU 3 -17.471 -4.888 1.845 20 HB3 GLU 3 HB1 GLU 3 -16.810 -6.523 1.889 21 HG2 GLU 3 HG2 GLU 3 -15.385 -4.629 3.629 22 HG3 GLU 3 HG1 GLU 3 -17.072 -4.877 4.082 23 H CYS 4 H CYS 4 -13.488 -3.762 2.288 24 HA CYS 4 HA CYS 4 -14.723 -1.108 1.679 25 HB2 CYS 4 HB2 CYS 4 -13.773 -2.218 4.197 26 HB3 CYS 4 HB1 CYS 4 -12.939 -0.718 3.800 27 H ASP 5 H ASP 5 -13.519 -0.783 -0.242 28 HA ASP 5 HA ASP 5 -10.595 -1.068 -0.185 29 HB2 ASP 5 HB2 ASP 5 -12.515 -1.099 -2.204 30 HB3 ASP 5 HB1 ASP 5 -11.698 0.448 -2.431 31 H CYS 6 H CYS 6 -12.469 1.054 1.297 32 HA CYS 6 HA CYS 6 -10.453 3.190 1.162 33 HB2 CYS 6 HB2 CYS 6 -12.852 3.348 -0.366 34 HB3 CYS 6 HB1 CYS 6 -13.003 4.488 0.968 35 H SER 7 H SER 7 -11.083 4.940 2.840 36 HA SER 7 HA SER 7 -12.536 3.612 5.095 37 HB2 SER 7 HB2 SER 7 -10.754 5.693 5.991 38 HB3 SER 7 HB1 SER 7 -10.745 3.980 6.404 39 HG SER 7 HG SER 7 -9.102 5.343 4.785 40 H SER 8 H SER 8 -12.473 6.253 2.964 41 HA SER 8 HA SER 8 -14.205 7.843 4.805 42 HB2 SER 8 HB2 SER 8 -12.240 8.599 2.690 43 HB3 SER 8 HB1 SER 8 -13.654 9.629 2.894 44 HG SER 8 HG SER 8 -12.870 10.303 4.726 45 HA PRO 9 HA PRO 9 -17.464 6.835 1.976 46 HB2 PRO 9 HB2 PRO 9 -19.353 8.489 3.098 47 HB3 PRO 9 HB1 PRO 9 -18.875 6.934 3.802 48 HG2 PRO 9 HG2 PRO 9 -18.185 9.691 4.701 49 HG3 PRO 9 HG1 PRO 9 -18.276 8.192 5.643 50 HD2 PRO 9 HD2 PRO 9 -15.904 9.436 4.708 51 HD3 PRO 9 HD1 PRO 9 -16.035 7.796 5.380 52 H GLU 10 H GLU 10 -16.287 10.081 2.553 53 HA GLU 10 HA GLU 10 -17.818 11.231 0.317 54 HB2 GLU 10 HB2 GLU 10 -15.751 12.318 2.236 55 HB3 GLU 10 HB1 GLU 10 -16.324 13.258 0.857 56 HG2 GLU 10 HG2 GLU 10 -18.492 13.425 1.699 57 HG3 GLU 10 HG1 GLU 10 -18.323 11.983 2.700 58 H ASN 11 H ASN 11 -15.511 9.079 0.196 59 HA ASN 11 HA ASN 11 -13.577 10.447 -1.539 60 HB2 ASN 11 HB2 ASN 11 -12.928 8.582 0.015 61 HB3 ASN 11 HB1 ASN 11 -13.877 7.483 -0.987 62 HD21 ASN 11 1HD2 ASN 11 -10.814 7.824 -0.507 63 HD22 ASN 11 2HD2 ASN 11 -10.176 7.851 -2.081 64 HA PRO 12 HA PRO 12 -16.082 9.573 -5.120 65 HB2 PRO 12 HB2 PRO 12 -14.347 10.687 -6.936 66 HB3 PRO 12 HB1 PRO 12 -15.438 11.642 -5.917 67 HG2 PRO 12 HG2 PRO 12 -12.491 11.268 -5.675 68 HG3 PRO 12 HG1 PRO 12 -13.499 12.618 -5.127 69 HD2 PRO 12 HD2 PRO 12 -12.467 10.541 -3.495 70 HD3 PRO 12 HD1 PRO 12 -13.719 11.713 -3.032 71 H CYS 13 H CYS 13 -12.681 8.705 -4.776 72 HA CYS 13 HA CYS 13 -12.677 6.893 -7.058 73 HB2 CYS 13 HB2 CYS 13 -10.707 8.153 -5.678 74 HB3 CYS 13 HB1 CYS 13 -10.644 6.556 -4.929 75 H CYS 14 H CYS 14 -14.110 6.701 -4.071 76 HA CYS 14 HA CYS 14 -14.124 3.729 -4.247 77 HB2 CYS 14 HB2 CYS 14 -14.138 4.814 -1.492 78 HB3 CYS 14 HB1 CYS 14 -13.366 3.366 -2.132 79 H ASP 15 H ASP 15 -16.229 3.261 -4.578 80 HA ASP 15 HA ASP 15 -18.443 4.923 -4.171 81 HB2 ASP 15 HB2 ASP 15 -18.135 2.461 -5.207 82 HB3 ASP 15 HB1 ASP 15 -18.822 2.015 -3.647 83 H ALA 16 H ALA 16 -19.209 5.794 -2.307 84 HA ALA 16 HA ALA 16 -18.323 4.980 0.294 85 HB1 ALA 16 HB1 ALA 16 -20.881 6.337 0.376 86 HB2 ALA 16 HB2 ALA 16 -19.807 7.114 -0.787 87 HB3 ALA 16 HB3 ALA 16 -19.299 6.921 0.891 88 H ALA 17 H ALA 17 -21.205 4.185 -1.607 89 HA ALA 17 HA ALA 17 -22.713 2.912 0.427 90 HB1 ALA 17 HB1 ALA 17 -23.809 1.678 -1.405 91 HB2 ALA 17 HB2 ALA 17 -22.516 2.157 -2.506 92 HB3 ALA 17 HB3 ALA 17 -23.600 3.376 -1.834 93 H THR 18 H THR 18 -20.817 1.157 -2.059 94 HA THR 18 HA THR 18 -20.663 -1.186 -0.330 95 HB THR 18 HB THR 18 -20.790 -1.377 -2.804 96 HG1 THR 18 HG1 THR 18 -19.863 -3.081 -1.726 97 HG21 THR 18 3HG2 THR 18 -19.537 0.061 -3.998 98 HG22 THR 18 1HG2 THR 18 -18.143 -0.939 -3.588 99 HG23 THR 18 2HG2 THR 18 -18.549 0.460 -2.594 100 H CYS 19 H CYS 19 -18.875 1.688 -0.556 101 HA CYS 19 HA CYS 19 -16.891 2.353 0.509 102 HB2 CYS 19 HB2 CYS 19 -17.832 1.120 2.436 103 HB3 CYS 19 HB1 CYS 19 -17.134 -0.374 1.822 104 H LYS 20 H LYS 20 -16.829 0.921 -2.077 105 HA LYS 20 HA LYS 20 -14.020 -0.072 -1.881 106 HB2 LYS 20 HB2 LYS 20 -16.404 -1.411 -3.076 107 HB3 LYS 20 HB1 LYS 20 -14.858 -1.593 -3.905 108 HG2 LYS 20 HG2 LYS 20 -13.890 -2.238 -1.617 109 HG3 LYS 20 HG1 LYS 20 -15.562 -2.384 -1.075 110 HD2 LYS 20 HD2 LYS 20 -15.151 -4.558 -1.782 111 HD3 LYS 20 HD1 LYS 20 -15.813 -3.854 -3.258 112 HE2 LYS 20 HE2 LYS 20 -13.513 -3.385 -4.053 113 HE3 LYS 20 HE1 LYS 20 -12.867 -4.132 -2.591 114 HZ1 LYS 20 HZ1 LYS 20 -14.449 -6.069 -3.401 115 HZ2 LYS 20 HZ2 LYS 20 -12.846 -5.926 -3.947 116 HZ3 LYS 20 HZ3 LYS 20 -14.129 -5.370 -4.913 117 H LEU 21 H LEU 21 -13.219 -0.315 -4.359 118 HA LEU 21 HA LEU 21 -13.079 2.337 -5.396 119 HB2 LEU 21 HB2 LEU 21 -12.264 -0.371 -6.344 120 HB3 LEU 21 HB1 LEU 21 -12.365 0.908 -7.554 121 HG LEU 21 HG LEU 21 -11.007 1.633 -5.021 122 HD11 LEU 21 1HD1 LEU 21 -10.339 -0.811 -6.078 123 HD12 LEU 21 2HD1 LEU 21 -9.257 0.218 -5.140 124 HD13 LEU 21 3HD1 LEU 21 -9.213 0.270 -6.902 125 HD21 LEU 21 3HD2 LEU 21 -11.152 3.218 -6.861 126 HD22 LEU 21 1HD2 LEU 21 -10.451 2.042 -7.972 127 HD23 LEU 21 2HD2 LEU 21 -9.472 2.720 -6.670 128 H ARG 22 H ARG 22 -14.605 3.447 -6.496 129 HA ARG 22 HA ARG 22 -16.970 2.065 -7.530 130 HB2 ARG 22 HB2 ARG 22 -16.411 4.658 -6.609 131 HB3 ARG 22 HB1 ARG 22 -16.763 4.845 -8.327 132 HG2 ARG 22 HG2 ARG 22 -18.598 2.977 -7.055 133 HG3 ARG 22 HG1 ARG 22 -18.644 4.562 -6.283 134 HD2 ARG 22 HD2 ARG 22 -19.157 5.657 -8.343 135 HD3 ARG 22 HD1 ARG 22 -18.777 4.213 -9.284 136 HE ARG 22 HE ARG 22 -20.807 3.176 -8.089 137 HH11 ARG 22 1HH1 ARG 22 -21.524 5.473 -6.377 138 HH12 ARG 22 2HH1 ARG 22 -22.715 6.303 -7.323 139 HH21 ARG 22 1HH2 ARG 22 -21.856 4.715 -10.282 140 HH22 ARG 22 2HH2 ARG 22 -22.902 5.874 -9.533 141 HA PRO 23 HA PRO 23 -15.200 3.590 -11.690 142 HB2 PRO 23 HB2 PRO 23 -12.753 4.838 -11.667 143 HB3 PRO 23 HB1 PRO 23 -14.292 5.698 -11.487 144 HG2 PRO 23 HG2 PRO 23 -12.241 5.072 -9.419 145 HG3 PRO 23 HG1 PRO 23 -13.435 6.380 -9.456 146 HD2 PRO 23 HD2 PRO 23 -13.625 3.984 -7.950 147 HD3 PRO 23 HD1 PRO 23 -14.925 5.163 -8.221 148 H GLY 24 H GLY 24 -12.782 3.249 -12.943 149 HA2 GLY 24 HA2 GLY 24 -12.099 0.465 -12.213 150 HA3 GLY 24 HA1 GLY 24 -11.650 1.279 -13.711 151 H ALA 25 H ALA 25 -11.181 2.840 -10.624 152 HA ALA 25 HA ALA 25 -8.344 3.178 -11.134 153 HB1 ALA 25 HB1 ALA 25 -10.277 3.972 -8.999 154 HB2 ALA 25 HB2 ALA 25 -9.137 4.963 -9.909 155 HB3 ALA 25 HB3 ALA 25 -8.564 3.954 -8.578 156 H GLN 26 H GLN 26 -6.590 2.236 -9.927 157 HA GLN 26 HA GLN 26 -7.048 -0.513 -9.127 158 HB2 GLN 26 HB2 GLN 26 -4.586 1.205 -8.703 159 HB3 GLN 26 HB1 GLN 26 -4.649 -0.550 -8.689 160 HG2 GLN 26 HG2 GLN 26 -5.061 1.300 -11.043 161 HG3 GLN 26 HG1 GLN 26 -3.837 0.043 -10.853 162 HE21 GLN 26 1HE2 GLN 26 -5.501 -2.074 -9.876 163 HE22 GLN 26 2HE2 GLN 26 -6.576 -2.523 -11.111 164 H CYS 27 H CYS 27 -6.384 2.515 -7.412 165 HA CYS 27 HA CYS 27 -7.425 1.253 -4.947 166 HB2 CYS 27 HB2 CYS 27 -5.181 0.849 -4.478 167 HB3 CYS 27 HB1 CYS 27 -4.629 2.263 -5.366 168 H GLY 28 H GLY 28 -8.988 2.625 -4.283 169 HA2 GLY 28 HA2 GLY 28 -9.144 5.359 -5.205 170 HA3 GLY 28 HA1 GLY 28 -10.194 4.622 -3.996 171 H GLU 29 H GLU 29 -8.018 3.787 -2.251 172 HA GLU 29 HA GLU 29 -6.697 6.323 -1.484 173 HB2 GLU 29 HB2 GLU 29 -8.884 6.346 -0.320 174 HB3 GLU 29 HB1 GLU 29 -8.505 4.782 0.401 175 HG2 GLU 29 HG2 GLU 29 -6.420 6.850 0.741 176 HG3 GLU 29 HG1 GLU 29 -7.936 7.173 1.583 177 H GLY 30 H GLY 30 -4.780 5.968 -0.328 178 HA2 GLY 30 HA2 GLY 30 -3.961 3.813 1.192 179 HA3 GLY 30 HA1 GLY 30 -3.686 3.267 -0.463 180 H LEU 31 H LEU 31 -1.556 3.703 1.405 181 HA LEU 31 HA LEU 31 -0.376 6.317 0.990 182 HB2 LEU 31 HB2 LEU 31 0.149 4.038 2.595 183 HB3 LEU 31 HB1 LEU 31 1.597 4.322 1.627 184 HG LEU 31 HG LEU 31 1.661 6.659 2.353 185 HD11 LEU 31 1HD1 LEU 31 -0.205 6.664 4.493 186 HD12 LEU 31 2HD1 LEU 31 -1.069 6.086 3.067 187 HD13 LEU 31 3HD1 LEU 31 -0.248 7.645 3.028 188 HD21 LEU 31 3HD2 LEU 31 1.494 4.484 4.424 189 HD22 LEU 31 1HD2 LEU 31 1.778 6.150 4.932 190 HD23 LEU 31 2HD2 LEU 31 2.913 5.356 3.839 191 H CYS 32 H CYS 32 -0.267 3.260 -0.720 192 HA CYS 32 HA CYS 32 1.829 4.389 -2.524 193 HB2 CYS 32 HB2 CYS 32 1.000 1.578 -2.918 194 HB3 CYS 32 HB1 CYS 32 2.612 2.276 -2.879 195 H CYS 33 H CYS 33 -0.805 5.384 -2.720 196 HA CYS 33 HA CYS 33 -1.716 4.143 -5.287 197 HB2 CYS 33 HB2 CYS 33 -3.407 5.733 -3.338 198 HB3 CYS 33 HB1 CYS 33 -3.969 4.840 -4.749 199 H GLU 34 H GLU 34 -0.807 5.452 -6.835 200 HA GLU 34 HA GLU 34 -0.963 8.403 -6.430 201 HB2 GLU 34 HB2 GLU 34 0.619 8.390 -8.463 202 HB3 GLU 34 HB1 GLU 34 1.274 7.788 -6.941 203 HG2 GLU 34 HG2 GLU 34 1.031 5.515 -7.617 204 HG3 GLU 34 HG1 GLU 34 0.007 5.956 -8.984 205 H GLN 35 H GLN 35 -2.672 9.353 -7.416 206 HA GLN 35 HA GLN 35 -4.277 9.846 -9.055 207 HB2 GLN 35 HB2 GLN 35 -2.036 8.717 -10.490 208 HB3 GLN 35 HB1 GLN 35 -3.550 8.208 -11.240 209 HG2 GLN 35 HG2 GLN 35 -3.655 10.237 -12.214 210 HG3 GLN 35 HG1 GLN 35 -3.924 10.919 -10.610 211 HE21 GLN 35 1HE2 GLN 35 -1.718 10.821 -13.248 212 HE22 GLN 35 2HE2 GLN 35 -0.420 11.605 -12.485 213 H CYS 36 H CYS 36 -4.663 7.690 -7.181 214 HA CYS 36 HA CYS 36 -6.189 5.951 -6.804 215 HB2 CYS 36 HB2 CYS 36 -7.189 7.142 -9.373 216 HB3 CYS 36 HB1 CYS 36 -7.886 5.658 -8.758 217 H LYS 37 H LYS 37 -3.618 5.436 -8.149 218 HA LYS 37 HA LYS 37 -4.364 2.867 -9.454 219 HB2 LYS 37 HB2 LYS 37 -2.010 4.575 -10.301 220 HB3 LYS 37 HB1 LYS 37 -2.648 3.143 -11.111 221 HG2 LYS 37 HG2 LYS 37 -4.832 4.898 -10.893 222 HG3 LYS 37 HG1 LYS 37 -3.471 5.910 -11.382 223 HD2 LYS 37 HD2 LYS 37 -2.974 4.072 -13.126 224 HD3 LYS 37 HD1 LYS 37 -4.604 3.491 -12.787 225 HE2 LYS 37 HE2 LYS 37 -5.394 5.883 -13.229 226 HE3 LYS 37 HE1 LYS 37 -3.784 6.187 -13.883 227 HZ1 LYS 37 HZ1 LYS 37 -4.227 5.017 -15.717 228 HZ2 LYS 37 HZ2 LYS 37 -5.861 5.203 -15.288 229 HZ3 LYS 37 HZ3 LYS 37 -5.026 3.782 -14.873 230 H PHE 38 H PHE 38 -2.394 1.335 -9.394 231 HA PHE 38 HA PHE 38 -1.351 1.335 -6.665 232 HB2 PHE 38 HB2 PHE 38 -1.180 -0.503 -9.024 233 HB3 PHE 38 HB1 PHE 38 -0.014 -0.689 -7.719 234 HD1 PHE 38 HD1 PHE 38 -3.366 0.630 -7.037 235 HD2 PHE 38 HD2 PHE 38 -0.914 -2.897 -7.094 236 HE1 PHE 38 HE1 PHE 38 -5.055 -0.570 -5.677 237 HE2 PHE 38 HE2 PHE 38 -2.607 -4.095 -5.735 238 HZ PHE 38 HZ PHE 38 -4.678 -2.932 -5.026 239 H SER 39 H SER 39 0.412 2.544 -6.133 240 HA SER 39 HA SER 39 2.134 3.780 -8.038 241 HB2 SER 39 HB2 SER 39 3.649 4.168 -6.103 242 HB3 SER 39 HB1 SER 39 1.979 4.578 -5.718 243 HG SER 39 HG SER 39 3.188 2.065 -5.180 244 H ARG 40 H ARG 40 4.742 3.146 -7.454 245 HA ARG 40 HA ARG 40 4.867 0.339 -8.443 246 HB2 ARG 40 HB2 ARG 40 6.326 2.791 -9.047 247 HB3 ARG 40 HB1 ARG 40 7.425 1.472 -8.643 248 HG2 ARG 40 HG2 ARG 40 5.799 0.102 -10.246 249 HG3 ARG 40 HG1 ARG 40 5.497 1.705 -10.915 250 HD2 ARG 40 HD2 ARG 40 7.442 1.603 -12.035 251 HD3 ARG 40 HD1 ARG 40 8.310 1.450 -10.508 252 HE ARG 40 HE ARG 40 8.099 -1.004 -10.729 253 HH11 ARG 40 1HH2 ARG 40 5.772 -0.820 -12.722 254 HH12 ARG 40 2HH2 ARG 40 6.559 -1.314 -14.184 255 HH21 ARG 40 1HH1 ARG 40 9.759 -0.880 -12.922 256 HH22 ARG 40 2HH1 ARG 40 8.816 -1.349 -14.297 257 H ALA 41 H ALA 41 6.920 -0.853 -7.669 258 HA ALA 41 HA ALA 41 6.887 -0.962 -4.782 259 HB1 ALA 41 HB1 ALA 41 7.540 -2.751 -6.716 260 HB2 ALA 41 HB2 ALA 41 8.063 -2.912 -5.040 261 HB3 ALA 41 HB3 ALA 41 9.151 -2.214 -6.240 262 H GLY 42 H GLY 42 9.065 -0.877 -3.550 263 HA2 GLY 42 HA2 GLY 42 10.955 0.373 -2.898 264 HA3 GLY 42 HA1 GLY 42 11.139 0.853 -4.587 265 H LYS 43 H LYS 43 8.040 1.316 -3.148 266 HA LYS 43 HA LYS 43 8.451 4.248 -3.330 267 HB2 LYS 43 HB2 LYS 43 6.469 3.884 -4.403 268 HB3 LYS 43 HB1 LYS 43 6.154 2.390 -3.535 269 HG2 LYS 43 HG2 LYS 43 4.926 3.444 -1.930 270 HG3 LYS 43 HG1 LYS 43 5.995 4.837 -1.880 271 HD2 LYS 43 HD2 LYS 43 4.316 4.417 -4.318 272 HD3 LYS 43 HD1 LYS 43 3.554 5.066 -2.865 273 HE2 LYS 43 HE2 LYS 43 5.904 6.226 -4.381 274 HE3 LYS 43 HE1 LYS 43 4.314 6.953 -4.145 275 HZ1 LYS 43 HZ1 LYS 43 6.524 6.653 -2.238 276 HZ2 LYS 43 HZ2 LYS 43 4.931 6.665 -1.647 277 HZ3 LYS 43 HZ3 LYS 43 5.523 7.992 -2.526 278 H ILE 44 H ILE 44 8.937 5.358 -1.546 279 HA ILE 44 HA ILE 44 9.008 4.225 1.080 280 HB ILE 44 HB ILE 44 9.449 6.904 -0.140 281 HG12 ILE 44 2HG1 ILE 44 11.252 5.262 0.203 282 HG13 ILE 44 1HG1 ILE 44 11.524 6.700 1.190 283 HG21 ILE 44 1HG2 ILE 44 9.686 7.926 2.150 284 HG22 ILE 44 2HG2 ILE 44 8.861 6.515 2.813 285 HG23 ILE 44 3HG2 ILE 44 8.016 7.589 1.697 286 HD11 ILE 44 3HD1 ILE 44 9.884 4.871 2.668 287 HD12 ILE 44 1HD1 ILE 44 11.504 5.448 3.058 288 HD13 ILE 44 2HD1 ILE 44 11.296 4.002 2.069 289 H CYS 45 H CYS 45 7.417 3.916 2.488 290 HA CYS 45 HA CYS 45 4.898 5.489 2.151 291 HB2 CYS 45 HB2 CYS 45 3.922 3.480 3.495 292 HB3 CYS 45 HB1 CYS 45 4.255 3.263 1.778 293 H ARG 46 H ARG 46 7.495 4.573 4.230 294 HA ARG 46 HA ARG 46 6.625 6.514 6.218 295 HB2 ARG 46 HB2 ARG 46 5.606 4.023 6.618 296 HB3 ARG 46 HB1 ARG 46 7.140 3.883 7.478 297 HG2 ARG 46 HG2 ARG 46 6.519 6.144 8.565 298 HG3 ARG 46 HG1 ARG 46 4.888 5.827 7.974 299 HD2 ARG 46 HD2 ARG 46 5.701 3.414 9.146 300 HD3 ARG 46 HD1 ARG 46 6.270 4.665 10.252 301 HE ARG 46 HE ARG 46 3.841 5.535 10.137 302 HH11 ARG 46 1HH1 ARG 46 2.742 3.530 8.276 303 HH12 ARG 46 2HH1 ARG 46 2.107 2.318 9.338 304 HH21 ARG 46 1HH2 ARG 46 3.894 3.422 12.097 305 HH22 ARG 46 2HH2 ARG 46 2.759 2.258 11.501 306 H ILE 47 H ILE 47 8.323 6.900 7.834 307 HA ILE 47 HA ILE 47 10.989 6.389 6.693 308 HB ILE 47 HB ILE 47 10.430 8.642 7.522 309 HG12 ILE 47 2HG1 ILE 47 12.341 8.683 9.358 310 HG13 ILE 47 1HG1 ILE 47 12.586 7.018 8.833 311 HG21 ILE 47 1HG2 ILE 47 10.558 8.296 10.321 312 HG22 ILE 47 2HG2 ILE 47 9.400 7.100 9.739 313 HG23 ILE 47 3HG2 ILE 47 9.162 8.809 9.374 314 HD11 ILE 47 3HD1 ILE 47 12.856 7.760 6.514 315 HD12 ILE 47 1HD1 ILE 47 13.999 8.612 7.553 316 HD13 ILE 47 2HD1 ILE 47 12.539 9.428 6.993 317 H ALA 48 H ALA 48 12.636 5.231 7.762 318 HA ALA 48 HA ALA 48 11.841 2.982 9.328 319 HB1 ALA 48 HB1 ALA 48 14.207 2.532 9.580 320 HB2 ALA 48 HB2 ALA 48 14.612 4.206 9.202 321 HB3 ALA 48 HB3 ALA 48 13.947 3.155 7.952 322 H ARG 49 H ARG 49 13.204 2.641 11.541 323 HA ARG 49 HA ARG 49 13.316 5.020 13.233 324 HB2 ARG 49 HB2 ARG 49 10.814 3.964 12.967 325 HB3 ARG 49 HB1 ARG 49 11.420 3.034 14.339 326 HG2 ARG 49 HG2 ARG 49 12.255 5.610 14.923 327 HG3 ARG 49 HG1 ARG 49 10.669 5.863 14.194 328 HD2 ARG 49 HD2 ARG 49 9.601 4.997 15.985 329 HD3 ARG 49 HD1 ARG 49 10.681 3.606 16.048 330 HE ARG 49 HE ARG 49 12.309 5.384 17.142 331 HH11 ARG 49 1HH1 ARG 49 9.776 7.196 17.251 332 HH12 ARG 49 2HH1 ARG 49 9.337 6.995 18.913 333 HH21 ARG 49 1HH2 ARG 49 11.368 4.226 19.392 334 HH22 ARG 49 2HH2 ARG 49 10.238 5.314 20.126 335 H GLY 50 H GLY 50 15.501 4.031 13.348 336 HA2 GLY 50 HA2 GLY 50 16.355 2.927 15.602 337 HA3 GLY 50 HA1 GLY 50 15.644 1.491 14.878 338 H ASP 51 H ASP 51 16.354 1.937 12.201 339 HA ASP 51 HA ASP 51 18.935 2.708 11.567 340 HB2 ASP 51 HB2 ASP 51 18.973 0.492 13.397 341 HB3 ASP 51 HB1 ASP 51 19.655 -0.012 11.850 342 H TRP 52 H TRP 52 17.019 -0.271 11.320 343 HA TRP 52 HA TRP 52 17.727 -1.146 8.792 344 HB2 TRP 52 HB2 TRP 52 15.216 -1.767 8.546 345 HB3 TRP 52 HB1 TRP 52 16.118 -2.466 9.890 346 HD1 TRP 52 HD TRP 52 13.477 0.170 9.091 347 HE1 TRP 52 HE1 TRP 52 12.293 0.849 11.279 348 HE3 TRP 52 HE3 TRP 52 16.388 -2.311 12.475 349 HZ2 TRP 52 HZ2 TRP 52 12.547 0.397 14.093 350 HZ3 TRP 52 HZ3 TRP 52 15.898 -2.168 14.899 351 HH2 TRP 52 HH TRP 52 13.983 -0.819 15.713 352 H ASN 53 H ASN 53 17.075 -0.654 6.650 353 HA ASN 53 HA ASN 53 16.888 2.040 5.913 354 HB2 ASN 53 HB2 ASN 53 17.121 -0.272 4.528 355 HB3 ASN 53 HB1 ASN 53 15.439 0.119 4.171 356 HD21 ASN 53 1HD2 ASN 53 15.232 1.385 2.328 357 HD22 ASN 53 2HD2 ASN 53 16.371 2.523 1.788 358 H ASP 54 H ASP 54 14.795 2.721 4.446 359 HA ASP 54 HA ASP 54 12.626 2.956 6.418 360 HB2 ASP 54 HB2 ASP 54 12.800 4.076 3.604 361 HB3 ASP 54 HB1 ASP 54 11.669 4.572 4.864 362 H ASP 55 H ASP 55 10.300 2.826 5.325 363 HA ASP 55 HA ASP 55 10.043 0.060 4.368 364 HB2 ASP 55 HB2 ASP 55 8.054 2.205 5.138 365 HB3 ASP 55 HB1 ASP 55 7.551 0.659 4.452 366 H ARG 56 H ARG 56 9.125 -0.525 2.344 367 HA ARG 56 HA ARG 56 8.802 1.684 0.359 368 HB2 ARG 56 HB2 ARG 56 10.293 -0.903 -0.157 369 HB3 ARG 56 HB1 ARG 56 10.088 0.442 -1.279 370 HG2 ARG 56 HG2 ARG 56 11.275 1.083 1.375 371 HG3 ARG 56 HG1 ARG 56 12.286 0.176 0.249 372 HD2 ARG 56 HD2 ARG 56 11.934 1.888 -1.477 373 HD3 ARG 56 HD1 ARG 56 10.880 2.787 -0.387 374 HE ARG 56 HE ARG 56 13.345 2.441 0.951 375 HH11 ARG 56 1HH1 ARG 56 12.113 3.875 -1.938 376 HH12 ARG 56 2HH1 ARG 56 13.254 5.177 -1.933 377 HH21 ARG 56 1HH2 ARG 56 14.812 4.157 0.992 378 HH22 ARG 56 2HH2 ARG 56 14.781 5.337 -0.276 379 H CYS 57 H CYS 57 6.868 1.496 -0.639 380 HA CYS 57 HA CYS 57 5.078 -0.667 -0.189 381 HB2 CYS 57 HB2 CYS 57 5.159 1.458 -2.337 382 HB3 CYS 57 HB1 CYS 57 3.844 0.296 -2.197 383 H THR 58 H THR 58 4.419 -2.367 -1.611 384 HA THR 58 HA THR 58 6.606 -3.590 -3.047 385 HB THR 58 HB THR 58 5.127 -5.078 -1.936 386 HG1 THR 58 HG1 THR 58 4.340 -5.142 -4.654 387 HG21 THR 58 3HG2 THR 58 3.150 -3.169 -2.792 388 HG22 THR 58 1HG2 THR 58 3.004 -4.440 -1.579 389 HG23 THR 58 2HG2 THR 58 2.651 -4.791 -3.271 390 H GLY 59 H GLY 59 4.178 -1.365 -3.981 391 HA2 GLY 59 HA2 GLY 59 4.054 -0.327 -6.137 392 HA3 GLY 59 HA1 GLY 59 5.064 -1.620 -6.786 393 H GLN 60 H GLN 60 3.141 -3.482 -5.202 394 HA GLN 60 HA GLN 60 0.975 -3.508 -7.253 395 HB2 GLN 60 HB2 GLN 60 2.205 -5.859 -5.772 396 HB3 GLN 60 HB1 GLN 60 0.931 -5.953 -6.990 397 HG2 GLN 60 HG2 GLN 60 3.470 -4.550 -7.719 398 HG3 GLN 60 HG1 GLN 60 3.486 -6.312 -7.648 399 HE21 GLN 60 1HE2 GLN 60 1.585 -3.609 -9.085 400 HE22 GLN 60 2HE2 GLN 60 1.130 -4.472 -10.475 401 H SER 61 H SER 61 1.617 -2.754 -4.128 402 HA SER 61 HA SER 61 -1.113 -3.625 -3.254 403 HB2 SER 61 HB2 SER 61 0.660 -4.884 -2.052 404 HB3 SER 61 HB1 SER 61 1.363 -3.362 -1.517 405 HG SER 61 HG SER 61 -1.212 -4.406 -0.933 406 H ALA 62 H ALA 62 -2.374 -1.844 -3.009 407 HA ALA 62 HA ALA 62 -1.416 0.828 -3.055 408 HB1 ALA 62 HB1 ALA 62 -3.786 1.056 -1.697 409 HB2 ALA 62 HB2 ALA 62 -3.986 -0.509 -2.486 410 HB3 ALA 62 HB3 ALA 62 -3.653 0.928 -3.449 411 H ASP 63 H ASP 63 -2.332 -1.245 -0.296 412 HA ASP 63 HA ASP 63 -1.552 0.810 1.638 413 HB2 ASP 63 HB2 ASP 63 -3.288 -0.696 2.328 414 HB3 ASP 63 HB1 ASP 63 -2.316 -2.108 1.918 415 H CYS 64 H CYS 64 0.481 1.082 2.446 416 HA CYS 64 HA CYS 64 2.695 -0.304 1.332 417 HB2 CYS 64 HB2 CYS 64 3.082 1.863 2.265 418 HB3 CYS 64 HB1 CYS 64 2.434 1.384 3.829 419 HA PRO 65 HA PRO 65 2.484 -4.015 3.654 420 HB2 PRO 65 HB2 PRO 65 4.785 -5.059 2.606 421 HB3 PRO 65 HB1 PRO 65 3.247 -5.059 1.744 422 HG2 PRO 65 HG2 PRO 65 5.672 -3.400 1.294 423 HG3 PRO 65 HG1 PRO 65 4.384 -3.837 0.158 424 HD2 PRO 65 HD2 PRO 65 4.675 -1.352 1.485 425 HD3 PRO 65 HD1 PRO 65 3.251 -1.904 0.577 426 H ARG 66 H ARG 66 4.632 -5.395 4.638 427 HA ARG 66 HA ARG 66 5.840 -3.448 6.549 428 HB2 ARG 66 HB2 ARG 66 6.216 -5.427 7.993 429 HB3 ARG 66 HB1 ARG 66 4.512 -5.254 7.570 430 HG2 ARG 66 HG2 ARG 66 4.576 -7.368 6.797 431 HG3 ARG 66 HG1 ARG 66 5.619 -6.788 5.497 432 HD2 ARG 66 HD2 ARG 66 7.606 -7.245 6.802 433 HD3 ARG 66 HD1 ARG 66 6.636 -7.647 8.219 434 HE ARG 66 HE ARG 66 6.166 -9.287 5.808 435 HH11 ARG 66 1HH1 ARG 66 8.793 -9.144 7.764 436 HH12 ARG 66 2HH1 ARG 66 8.593 -10.697 8.505 437 HH21 ARG 66 1HH2 ARG 66 5.404 -11.185 7.240 438 HH22 ARG 66 2HH2 ARG 66 6.675 -11.852 8.208 439 H ASN 67 H ASN 67 7.848 -2.845 5.861 440 HA ASN 67 HA ASN 67 9.512 -4.781 4.362 441 HB2 ASN 67 HB2 ASN 67 9.293 -1.894 4.514 442 HB3 ASN 67 HB1 ASN 67 10.962 -2.404 4.772 443 HD21 ASN 67 1HD2 ASN 67 8.210 -3.212 2.569 444 HD22 ASN 67 2HD2 ASN 67 9.182 -3.381 1.186 445 H GLY 68 H GLY 68 9.428 -3.091 7.463 446 HA2 GLY 68 HA2 GLY 68 12.087 -3.991 8.252 447 HA3 GLY 68 HA1 GLY 68 10.901 -3.221 9.305 448 H LEU 69 H LEU 69 10.604 -4.613 10.988 449 HA LEU 69 HA LEU 69 9.968 -7.447 10.298 450 HB2 LEU 69 HB2 LEU 69 10.865 -7.715 12.844 451 HB3 LEU 69 HB1 LEU 69 11.880 -7.950 11.428 452 HG LEU 69 HG LEU 69 12.916 -6.481 13.165 453 HD11 LEU 69 1HD1 LEU 69 12.809 -4.443 11.204 454 HD12 LEU 69 2HD1 LEU 69 12.641 -5.975 10.348 455 HD13 LEU 69 3HD1 LEU 69 14.036 -5.696 11.391 456 HD21 LEU 69 3HD2 LEU 69 11.751 -4.814 14.117 457 HD22 LEU 69 1HD2 LEU 69 10.346 -5.289 13.167 458 HD23 LEU 69 2HD2 LEU 69 11.461 -4.076 12.543 459 H TYR 70 H TYR 70 8.730 -4.627 11.450 460 HA TYR 70 HA TYR 70 6.767 -6.084 13.174 461 HB2 TYR 70 HB2 TYR 70 6.413 -3.708 14.173 462 HB3 TYR 70 HB1 TYR 70 7.845 -4.613 14.664 463 HD1 TYR 70 HD2 TYR 70 6.751 -2.287 11.923 464 HD2 TYR 70 HD1 TYR 70 9.902 -3.531 14.564 465 HE1 TYR 70 HE2 TYR 70 8.202 -0.478 11.043 466 HE2 TYR 70 HE1 TYR 70 11.353 -1.721 13.685 467 HH TYR 70 HH TYR 70 10.139 0.810 11.710 468 H GLY 71 H GLY 71 4.554 -5.119 13.101 469 HA2 GLY 71 HA2 GLY 71 3.970 -3.382 10.792 470 HA3 GLY 71 HA1 GLY 71 3.319 -5.019 10.697 Start of MODEL 20 1 H GLY 1 HT1 GLY 1 -10.973 -9.183 4.393 2 HA2 GLY 1 HA1 GLY 1 -12.066 -10.695 2.231 3 HA3 GLY 1 HA2 GLY 1 -12.790 -9.379 3.155 4 H LYS 2 H LYS 2 -13.445 -9.154 0.639 5 HA LYS 2 HA LYS 2 -11.785 -6.912 -0.352 6 HB2 LYS 2 HB2 LYS 2 -12.048 -9.555 -1.668 7 HB3 LYS 2 HB1 LYS 2 -12.289 -8.160 -2.720 8 HG2 LYS 2 HG2 LYS 2 -10.127 -7.338 -2.339 9 HG3 LYS 2 HG1 LYS 2 -9.943 -8.244 -0.837 10 HD2 LYS 2 HD2 LYS 2 -9.919 -10.360 -2.143 11 HD3 LYS 2 HD1 LYS 2 -10.022 -9.419 -3.633 12 HE2 LYS 2 HE2 LYS 2 -7.911 -8.259 -3.013 13 HE3 LYS 2 HE1 LYS 2 -7.791 -9.285 -1.584 14 HZ1 LYS 2 HZ1 LYS 2 -6.928 -10.897 -2.806 15 HZ2 LYS 2 HZ2 LYS 2 -6.913 -9.855 -4.149 16 HZ3 LYS 2 HZ3 LYS 2 -8.247 -10.871 -3.872 17 H GLU 3 H GLU 3 -14.106 -6.362 0.764 18 HA GLU 3 HA GLU 3 -16.024 -6.096 -1.516 19 HB2 GLU 3 HB2 GLU 3 -16.458 -6.853 1.343 20 HB3 GLU 3 HB1 GLU 3 -17.703 -5.893 0.542 21 HG2 GLU 3 HG2 GLU 3 -18.189 -7.561 -1.005 22 HG3 GLU 3 HG1 GLU 3 -16.595 -8.300 -0.862 23 H CYS 4 H CYS 4 -14.241 -4.520 0.974 24 HA CYS 4 HA CYS 4 -15.540 -1.932 0.207 25 HB2 CYS 4 HB2 CYS 4 -14.695 -2.892 2.955 26 HB3 CYS 4 HB1 CYS 4 -15.041 -1.204 2.597 27 H ASP 5 H ASP 5 -13.899 -1.282 -1.186 28 HA ASP 5 HA ASP 5 -11.080 -1.573 -0.527 29 HB2 ASP 5 HB2 ASP 5 -11.807 -1.519 -2.869 30 HB3 ASP 5 HB1 ASP 5 -12.477 0.097 -2.646 31 H CYS 6 H CYS 6 -13.537 0.832 0.058 32 HA CYS 6 HA CYS 6 -11.422 2.625 1.186 33 HB2 CYS 6 HB2 CYS 6 -14.027 3.271 -0.197 34 HB3 CYS 6 HB1 CYS 6 -13.219 4.441 0.845 35 H SER 7 H SER 7 -12.297 3.986 3.045 36 HA SER 7 HA SER 7 -14.105 2.285 4.710 37 HB2 SER 7 HB2 SER 7 -11.866 4.177 5.456 38 HB3 SER 7 HB1 SER 7 -13.013 3.553 6.638 39 HG SER 7 HG SER 7 -10.993 2.327 6.293 40 H SER 8 H SER 8 -14.771 4.522 2.737 41 HA SER 8 HA SER 8 -16.563 5.974 4.598 42 HB2 SER 8 HB2 SER 8 -14.546 7.251 2.755 43 HB3 SER 8 HB1 SER 8 -16.007 8.106 3.241 44 HG SER 8 HG SER 8 -14.111 8.414 4.612 45 HA PRO 9 HA PRO 9 -19.258 5.096 1.190 46 HB2 PRO 9 HB2 PRO 9 -21.454 6.410 2.193 47 HB3 PRO 9 HB1 PRO 9 -20.921 4.819 2.765 48 HG2 PRO 9 HG2 PRO 9 -20.661 7.474 4.096 49 HG3 PRO 9 HG1 PRO 9 -20.738 5.858 4.819 50 HD2 PRO 9 HD2 PRO 9 -18.391 7.404 4.443 51 HD3 PRO 9 HD1 PRO 9 -18.453 5.679 4.866 52 H GLU 10 H GLU 10 -18.297 8.247 2.229 53 HA GLU 10 HA GLU 10 -19.639 9.556 -0.078 54 HB2 GLU 10 HB2 GLU 10 -19.432 10.471 2.415 55 HB3 GLU 10 HB1 GLU 10 -17.878 11.055 1.820 56 HG2 GLU 10 HG2 GLU 10 -19.672 11.689 -0.223 57 HG3 GLU 10 HG1 GLU 10 -20.559 12.052 1.258 58 H ASN 11 H ASN 11 -17.124 7.709 -0.017 59 HA ASN 11 HA ASN 11 -14.994 9.467 -0.951 60 HB2 ASN 11 HB2 ASN 11 -14.590 7.261 0.188 61 HB3 ASN 11 HB1 ASN 11 -15.227 6.459 -1.249 62 HD21 ASN 11 1HD2 ASN 11 -12.341 7.009 0.096 63 HD22 ASN 11 2HD2 ASN 11 -11.389 7.311 -1.277 64 HA PRO 12 HA PRO 12 -16.521 9.596 -5.114 65 HB2 PRO 12 HB2 PRO 12 -14.346 10.890 -6.186 66 HB3 PRO 12 HB1 PRO 12 -15.604 11.708 -5.241 67 HG2 PRO 12 HG2 PRO 12 -12.824 10.980 -4.437 68 HG3 PRO 12 HG1 PRO 12 -13.860 12.286 -3.839 69 HD2 PRO 12 HD2 PRO 12 -13.373 9.829 -2.523 70 HD3 PRO 12 HD1 PRO 12 -14.654 10.993 -2.121 71 H CYS 13 H CYS 13 -13.258 8.423 -4.345 72 HA CYS 13 HA CYS 13 -12.936 7.098 -6.927 73 HB2 CYS 13 HB2 CYS 13 -11.140 7.944 -5.114 74 HB3 CYS 13 HB1 CYS 13 -11.293 6.269 -4.582 75 H CYS 14 H CYS 14 -14.544 6.344 -4.004 76 HA CYS 14 HA CYS 14 -14.640 3.469 -4.833 77 HB2 CYS 14 HB2 CYS 14 -14.554 4.728 -2.093 78 HB3 CYS 14 HB1 CYS 14 -15.179 3.096 -2.336 79 H ASP 15 H ASP 15 -16.673 2.379 -4.301 80 HA ASP 15 HA ASP 15 -19.000 4.198 -4.646 81 HB2 ASP 15 HB2 ASP 15 -18.450 2.079 -6.108 82 HB3 ASP 15 HB1 ASP 15 -19.131 1.196 -4.737 83 H ALA 16 H ALA 16 -20.324 4.558 -2.908 84 HA ALA 16 HA ALA 16 -19.796 3.468 -0.324 85 HB1 ALA 16 HB1 ALA 16 -21.204 5.135 0.225 86 HB2 ALA 16 HB2 ALA 16 -22.543 4.230 -0.479 87 HB3 ALA 16 HB3 ALA 16 -21.617 5.354 -1.475 88 H ALA 17 H ALA 17 -22.015 2.482 -2.899 89 HA ALA 17 HA ALA 17 -23.560 0.593 -1.464 90 HB1 ALA 17 HB1 ALA 17 -22.924 -0.412 -4.096 91 HB2 ALA 17 HB2 ALA 17 -23.200 1.329 -4.173 92 HB3 ALA 17 HB3 ALA 17 -24.443 0.267 -3.511 93 H THR 18 H THR 18 -20.841 -0.274 -3.628 94 HA THR 18 HA THR 18 -20.395 -2.687 -1.964 95 HB THR 18 HB THR 18 -20.488 -3.094 -4.347 96 HG1 THR 18 HG1 THR 18 -18.951 -4.356 -3.481 97 HG21 THR 18 3HG2 THR 18 -20.044 -1.081 -5.425 98 HG22 THR 18 1HG2 THR 18 -18.535 -1.951 -5.703 99 HG23 THR 18 2HG2 THR 18 -18.632 -0.740 -4.424 100 H CYS 19 H CYS 19 -19.557 0.253 -1.391 101 HA CYS 19 HA CYS 19 -17.602 1.426 -0.723 102 HB2 CYS 19 HB2 CYS 19 -16.279 -0.128 0.947 103 HB3 CYS 19 HB1 CYS 19 -17.870 0.470 1.364 104 H LYS 20 H LYS 20 -17.200 0.097 -3.278 105 HA LYS 20 HA LYS 20 -14.271 -0.457 -2.968 106 HB2 LYS 20 HB2 LYS 20 -16.248 -1.860 -4.780 107 HB3 LYS 20 HB1 LYS 20 -14.498 -2.001 -4.950 108 HG2 LYS 20 HG2 LYS 20 -14.906 -2.479 -2.248 109 HG3 LYS 20 HG1 LYS 20 -16.282 -3.276 -3.013 110 HD2 LYS 20 HD2 LYS 20 -14.375 -4.820 -2.851 111 HD3 LYS 20 HD1 LYS 20 -14.746 -4.466 -4.537 112 HE2 LYS 20 HE2 LYS 20 -12.518 -4.021 -4.683 113 HE3 LYS 20 HE1 LYS 20 -12.974 -2.470 -3.977 114 HZ1 LYS 20 HZ1 LYS 20 -12.164 -4.868 -2.425 115 HZ2 LYS 20 HZ2 LYS 20 -12.509 -3.328 -1.796 116 HZ3 LYS 20 HZ3 LYS 20 -11.146 -3.559 -2.784 117 H LEU 21 H LEU 21 -13.113 -0.157 -5.156 118 HA LEU 21 HA LEU 21 -13.503 2.515 -6.047 119 HB2 LEU 21 HB2 LEU 21 -12.046 0.209 -7.367 120 HB3 LEU 21 HB1 LEU 21 -11.925 1.890 -7.887 121 HG LEU 21 HG LEU 21 -11.515 1.638 -5.019 122 HD11 LEU 21 1HD1 LEU 21 -10.663 -0.612 -5.841 123 HD12 LEU 21 2HD1 LEU 21 -9.468 0.391 -5.020 124 HD13 LEU 21 3HD1 LEU 21 -9.463 0.278 -6.780 125 HD21 LEU 21 3HD2 LEU 21 -10.799 3.332 -7.067 126 HD22 LEU 21 1HD2 LEU 21 -9.291 2.468 -6.764 127 HD23 LEU 21 2HD2 LEU 21 -10.081 3.348 -5.456 128 H ARG 22 H ARG 22 -15.016 3.321 -7.405 129 HA ARG 22 HA ARG 22 -16.760 1.487 -8.885 130 HB2 ARG 22 HB2 ARG 22 -17.455 3.675 -7.668 131 HB3 ARG 22 HB1 ARG 22 -16.855 4.487 -9.112 132 HG2 ARG 22 HG2 ARG 22 -18.635 2.159 -9.576 133 HG3 ARG 22 HG1 ARG 22 -19.395 3.595 -8.890 134 HD2 ARG 22 HD2 ARG 22 -18.620 4.968 -10.718 135 HD3 ARG 22 HD1 ARG 22 -17.623 3.656 -11.347 136 HE ARG 22 HE ARG 22 -20.591 3.356 -11.232 137 HH11 ARG 22 1HH1 ARG 22 -18.097 4.390 -13.238 138 HH12 ARG 22 2HH1 ARG 22 -18.509 3.362 -14.568 139 HH21 ARG 22 1HH2 ARG 22 -20.915 1.596 -12.803 140 HH22 ARG 22 2HH2 ARG 22 -20.104 1.779 -14.323 141 HA PRO 23 HA PRO 23 -14.710 3.734 -12.569 142 HB2 PRO 23 HB2 PRO 23 -12.456 5.219 -12.057 143 HB3 PRO 23 HB1 PRO 23 -14.096 5.890 -12.037 144 HG2 PRO 23 HG2 PRO 23 -12.300 5.264 -9.746 145 HG3 PRO 23 HG1 PRO 23 -13.629 6.431 -9.845 146 HD2 PRO 23 HD2 PRO 23 -13.723 3.874 -8.619 147 HD3 PRO 23 HD1 PRO 23 -15.108 4.931 -8.957 148 H GLY 24 H GLY 24 -12.000 3.877 -13.322 149 HA2 GLY 24 HA2 GLY 24 -11.193 1.063 -12.936 150 HA3 GLY 24 HA1 GLY 24 -10.499 2.186 -14.105 151 H ALA 25 H ALA 25 -10.945 2.930 -10.686 152 HA ALA 25 HA ALA 25 -8.061 3.478 -10.470 153 HB1 ALA 25 HB1 ALA 25 -10.501 4.098 -8.863 154 HB2 ALA 25 HB2 ALA 25 -9.189 5.162 -9.368 155 HB3 ALA 25 HB3 ALA 25 -8.953 4.051 -8.018 156 H GLN 26 H GLN 26 -6.619 2.155 -9.420 157 HA GLN 26 HA GLN 26 -7.555 -0.476 -8.537 158 HB2 GLN 26 HB2 GLN 26 -5.076 0.695 -9.408 159 HB3 GLN 26 HB1 GLN 26 -4.826 -0.102 -7.855 160 HG2 GLN 26 HG2 GLN 26 -5.243 -2.183 -8.699 161 HG3 GLN 26 HG1 GLN 26 -6.477 -1.591 -9.812 162 HE21 GLN 26 1HE2 GLN 26 -4.977 0.365 -11.236 163 HE22 GLN 26 2HE2 GLN 26 -3.741 -0.414 -12.099 164 H CYS 27 H CYS 27 -7.446 2.486 -7.048 165 HA CYS 27 HA CYS 27 -7.825 1.356 -4.416 166 HB2 CYS 27 HB2 CYS 27 -5.807 2.358 -3.373 167 HB3 CYS 27 HB1 CYS 27 -5.404 1.088 -4.529 168 H GLY 28 H GLY 28 -8.636 2.921 -2.964 169 HA2 GLY 28 HA2 GLY 28 -9.263 5.537 -4.227 170 HA3 GLY 28 HA1 GLY 28 -10.139 4.828 -2.873 171 H GLU 29 H GLU 29 -7.787 4.082 -1.381 172 HA GLU 29 HA GLU 29 -6.382 6.637 -0.906 173 HB2 GLU 29 HB2 GLU 29 -7.077 6.848 1.347 174 HB3 GLU 29 HB1 GLU 29 -8.555 6.538 0.450 175 HG2 GLU 29 HG2 GLU 29 -8.838 4.968 2.104 176 HG3 GLU 29 HG1 GLU 29 -7.874 3.999 0.987 177 H GLY 30 H GLY 30 -4.607 6.304 0.762 178 HA2 GLY 30 HA2 GLY 30 -3.583 4.212 2.021 179 HA3 GLY 30 HA1 GLY 30 -3.450 3.593 0.375 180 H LEU 31 H LEU 31 -1.211 4.089 2.105 181 HA LEU 31 HA LEU 31 0.047 6.613 1.519 182 HB2 LEU 31 HB2 LEU 31 1.107 3.928 2.421 183 HB3 LEU 31 HB1 LEU 31 2.173 5.301 2.130 184 HG LEU 31 HG LEU 31 0.262 6.472 3.663 185 HD11 LEU 31 1HD1 LEU 31 -0.381 5.001 5.456 186 HD12 LEU 31 2HD1 LEU 31 0.636 3.704 4.826 187 HD13 LEU 31 3HD1 LEU 31 -0.812 4.196 3.947 188 HD21 LEU 31 3HD2 LEU 31 2.199 5.213 5.394 189 HD22 LEU 31 1HD2 LEU 31 2.120 6.894 4.866 190 HD23 LEU 31 2HD2 LEU 31 2.971 5.702 3.885 191 H CYS 32 H CYS 32 0.091 3.442 -0.054 192 HA CYS 32 HA CYS 32 1.998 4.423 -2.085 193 HB2 CYS 32 HB2 CYS 32 2.128 2.095 -1.139 194 HB3 CYS 32 HB1 CYS 32 0.594 1.743 -1.932 195 H CYS 33 H CYS 33 -1.388 4.319 -1.635 196 HA CYS 33 HA CYS 33 -2.137 3.925 -4.401 197 HB2 CYS 33 HB2 CYS 33 -3.754 3.571 -2.574 198 HB3 CYS 33 HB1 CYS 33 -3.681 5.283 -2.169 199 H GLU 34 H GLU 34 -1.117 5.317 -5.805 200 HA GLU 34 HA GLU 34 -1.310 8.242 -5.237 201 HB2 GLU 34 HB2 GLU 34 0.966 7.592 -5.650 202 HB3 GLU 34 HB1 GLU 34 0.502 6.634 -7.056 203 HG2 GLU 34 HG2 GLU 34 0.734 8.436 -8.377 204 HG3 GLU 34 HG1 GLU 34 -0.479 9.296 -7.427 205 H GLN 35 H GLN 35 -2.827 9.345 -6.389 206 HA GLN 35 HA GLN 35 -4.386 9.844 -8.073 207 HB2 GLN 35 HB2 GLN 35 -2.180 9.471 -9.439 208 HB3 GLN 35 HB1 GLN 35 -2.934 7.946 -9.906 209 HG2 GLN 35 HG2 GLN 35 -3.995 9.118 -11.518 210 HG3 GLN 35 HG1 GLN 35 -4.976 9.806 -10.224 211 HE21 GLN 35 1HE2 GLN 35 -4.734 11.556 -12.230 212 HE22 GLN 35 2HE2 GLN 35 -3.552 12.737 -11.934 213 H CYS 36 H CYS 36 -4.862 7.676 -6.249 214 HA CYS 36 HA CYS 36 -6.367 5.907 -5.954 215 HB2 CYS 36 HB2 CYS 36 -7.320 7.187 -8.491 216 HB3 CYS 36 HB1 CYS 36 -7.970 5.625 -8.032 217 H LYS 37 H LYS 37 -3.733 5.491 -7.257 218 HA LYS 37 HA LYS 37 -4.395 2.911 -8.602 219 HB2 LYS 37 HB2 LYS 37 -3.474 5.056 -10.006 220 HB3 LYS 37 HB1 LYS 37 -1.952 4.302 -9.532 221 HG2 LYS 37 HG2 LYS 37 -2.276 2.512 -10.892 222 HG3 LYS 37 HG1 LYS 37 -3.988 2.397 -10.481 223 HD2 LYS 37 HD2 LYS 37 -4.386 4.424 -11.936 224 HD3 LYS 37 HD1 LYS 37 -2.708 4.295 -12.465 225 HE2 LYS 37 HE2 LYS 37 -3.210 1.908 -13.147 226 HE3 LYS 37 HE1 LYS 37 -4.912 2.251 -12.834 227 HZ1 LYS 37 HZ1 LYS 37 -3.146 3.614 -14.790 228 HZ2 LYS 37 HZ2 LYS 37 -4.717 4.135 -14.405 229 HZ3 LYS 37 HZ3 LYS 37 -4.475 2.618 -15.134 230 H PHE 38 H PHE 38 -2.696 1.295 -8.385 231 HA PHE 38 HA PHE 38 -1.330 1.457 -5.808 232 HB2 PHE 38 HB2 PHE 38 -1.443 -0.624 -7.997 233 HB3 PHE 38 HB1 PHE 38 -0.407 -0.812 -6.585 234 HD1 PHE 38 HD1 PHE 38 -2.134 0.428 -4.478 235 HD2 PHE 38 HD2 PHE 38 -3.094 -2.271 -7.677 236 HE1 PHE 38 HE1 PHE 38 -4.063 -0.432 -3.176 237 HE2 PHE 38 HE2 PHE 38 -5.023 -3.129 -6.378 238 HZ PHE 38 HZ PHE 38 -5.509 -2.209 -4.126 239 H SER 39 H SER 39 0.564 2.629 -5.683 240 HA SER 39 HA SER 39 2.174 3.308 -7.942 241 HB2 SER 39 HB2 SER 39 2.209 3.882 -5.178 242 HB3 SER 39 HB1 SER 39 3.757 3.115 -5.520 243 HG SER 39 HG SER 39 3.829 4.621 -7.370 244 H ARG 40 H ARG 40 4.725 2.550 -7.669 245 HA ARG 40 HA ARG 40 4.587 -0.357 -8.164 246 HB2 ARG 40 HB2 ARG 40 6.510 1.838 -8.748 247 HB3 ARG 40 HB1 ARG 40 7.201 0.233 -8.508 248 HG2 ARG 40 HG2 ARG 40 6.527 -0.395 -10.558 249 HG3 ARG 40 HG1 ARG 40 4.857 -0.003 -10.149 250 HD2 ARG 40 HD2 ARG 40 5.815 2.494 -10.519 251 HD3 ARG 40 HD1 ARG 40 6.876 1.611 -11.617 252 HE ARG 40 HE ARG 40 4.194 0.761 -12.077 253 HH11 ARG 40 1HH2 ARG 40 5.802 3.780 -12.022 254 HH12 ARG 40 2HH2 ARG 40 5.173 4.307 -13.548 255 HH21 ARG 40 1HH1 ARG 40 3.567 1.309 -14.221 256 HH22 ARG 40 2HH1 ARG 40 3.908 2.908 -14.791 257 H ALA 41 H ALA 41 6.164 -1.810 -7.093 258 HA ALA 41 HA ALA 41 6.212 -1.429 -4.231 259 HB1 ALA 41 HB1 ALA 41 6.250 -3.652 -5.614 260 HB2 ALA 41 HB2 ALA 41 7.187 -3.571 -4.124 261 HB3 ALA 41 HB3 ALA 41 7.990 -3.384 -5.683 262 H GLY 42 H GLY 42 8.315 -1.541 -2.981 263 HA2 GLY 42 HA2 GLY 42 10.455 -0.671 -2.524 264 HA3 GLY 42 HA1 GLY 42 10.738 -0.627 -4.265 265 H LYS 43 H LYS 43 7.869 0.881 -2.973 266 HA LYS 43 HA LYS 43 9.027 3.513 -3.811 267 HB2 LYS 43 HB2 LYS 43 7.011 3.778 -4.774 268 HB3 LYS 43 HB1 LYS 43 6.409 2.315 -4.018 269 HG2 LYS 43 HG2 LYS 43 4.971 4.067 -3.256 270 HG3 LYS 43 HG1 LYS 43 6.040 3.731 -1.907 271 HD2 LYS 43 HD2 LYS 43 6.357 5.991 -1.946 272 HD3 LYS 43 HD1 LYS 43 7.512 5.595 -3.219 273 HE2 LYS 43 HE2 LYS 43 4.782 5.788 -4.234 274 HE3 LYS 43 HE1 LYS 43 5.315 7.288 -3.475 275 HZ1 LYS 43 HZ1 LYS 43 7.438 6.307 -4.989 276 HZ2 LYS 43 HZ2 LYS 43 6.515 7.706 -5.267 277 HZ3 LYS 43 HZ3 LYS 43 6.056 6.229 -5.970 278 H ILE 44 H ILE 44 9.598 5.024 -2.322 279 HA ILE 44 HA ILE 44 9.599 4.457 0.464 280 HB ILE 44 HB ILE 44 10.201 6.811 -1.245 281 HG12 ILE 44 2HG1 ILE 44 11.914 5.217 -0.501 282 HG13 ILE 44 1HG1 ILE 44 12.216 6.806 0.205 283 HG21 ILE 44 1HG2 ILE 44 10.456 8.252 0.839 284 HG22 ILE 44 2HG2 ILE 44 9.441 7.078 1.678 285 HG23 ILE 44 3HG2 ILE 44 8.793 7.987 0.312 286 HD11 ILE 44 3HD1 ILE 44 12.428 5.411 2.070 287 HD12 ILE 44 1HD1 ILE 44 11.150 4.325 1.525 288 HD13 ILE 44 2HD1 ILE 44 10.740 5.910 2.181 289 H CYS 45 H CYS 45 7.715 4.058 1.477 290 HA CYS 45 HA CYS 45 5.485 6.018 1.145 291 HB2 CYS 45 HB2 CYS 45 4.187 3.991 2.226 292 HB3 CYS 45 HB1 CYS 45 4.474 4.052 0.490 293 H ARG 46 H ARG 46 7.741 4.611 3.290 294 HA ARG 46 HA ARG 46 6.854 6.387 5.439 295 HB2 ARG 46 HB2 ARG 46 5.553 4.028 5.454 296 HB3 ARG 46 HB1 ARG 46 7.006 3.553 6.335 297 HG2 ARG 46 HG2 ARG 46 6.339 4.660 8.179 298 HG3 ARG 46 HG1 ARG 46 6.043 6.132 7.251 299 HD2 ARG 46 HD2 ARG 46 3.865 5.091 6.480 300 HD3 ARG 46 HD1 ARG 46 4.147 3.805 7.655 301 HE ARG 46 HE ARG 46 3.232 5.314 9.208 302 HH11 ARG 46 1HH2 ARG 46 5.900 6.779 9.188 303 HH12 ARG 46 2HH2 ARG 46 5.388 8.408 8.894 304 HH21 ARG 46 1HH1 ARG 46 2.220 7.498 7.818 305 HH22 ARG 46 2HH1 ARG 46 3.304 8.814 8.117 306 H ILE 47 H ILE 47 8.285 5.755 7.511 307 HA ILE 47 HA ILE 47 11.036 5.227 6.462 308 HB ILE 47 HB ILE 47 10.893 6.654 9.019 309 HG12 ILE 47 2HG1 ILE 47 10.346 8.826 7.561 310 HG13 ILE 47 1HG1 ILE 47 9.389 7.668 6.636 311 HG21 ILE 47 1HG2 ILE 47 12.663 6.306 6.917 312 HG22 ILE 47 2HG2 ILE 47 12.844 7.473 8.228 313 HG23 ILE 47 3HG2 ILE 47 12.110 7.967 6.702 314 HD11 ILE 47 3HD1 ILE 47 8.869 8.808 9.274 315 HD12 ILE 47 1HD1 ILE 47 8.800 7.045 9.287 316 HD13 ILE 47 2HD1 ILE 47 7.771 7.960 8.185 317 H ALA 48 H ALA 48 12.451 4.797 8.701 318 HA ALA 48 HA ALA 48 10.984 2.622 10.139 319 HB1 ALA 48 HB1 ALA 48 13.720 1.947 10.108 320 HB2 ALA 48 HB2 ALA 48 13.338 2.447 8.462 321 HB3 ALA 48 HB3 ALA 48 12.422 1.147 9.223 322 H ARG 49 H ARG 49 11.321 2.558 12.353 323 HA ARG 49 HA ARG 49 12.504 4.877 13.619 324 HB2 ARG 49 HB2 ARG 49 11.947 2.294 15.067 325 HB3 ARG 49 HB1 ARG 49 11.772 3.948 15.653 326 HG2 ARG 49 HG2 ARG 49 9.950 4.213 13.857 327 HG3 ARG 49 HG1 ARG 49 9.993 2.454 13.723 328 HD2 ARG 49 HD2 ARG 49 8.287 2.911 15.319 329 HD3 ARG 49 HD1 ARG 49 9.684 2.403 16.268 330 HE ARG 49 HE ARG 49 10.037 4.739 16.896 331 HH11 ARG 49 1HH2 ARG 49 7.234 4.372 17.740 332 HH12 ARG 49 2HH2 ARG 49 6.422 5.698 16.978 333 HH21 ARG 49 1HH1 ARG 49 8.992 6.325 14.736 334 HH22 ARG 49 2HH1 ARG 49 7.418 6.806 15.276 335 H GLY 50 H GLY 50 14.611 5.131 14.258 336 HA2 GLY 50 HA2 GLY 50 16.700 4.294 15.185 337 HA3 GLY 50 HA1 GLY 50 16.303 2.698 14.547 338 H ASP 51 H ASP 51 17.128 2.157 12.548 339 HA ASP 51 HA ASP 51 17.579 3.945 10.397 340 HB2 ASP 51 HB2 ASP 51 19.336 4.595 12.322 341 HB3 ASP 51 HB1 ASP 51 20.257 3.317 11.528 342 H TRP 52 H TRP 52 16.587 1.718 9.851 343 HA TRP 52 HA TRP 52 18.796 -0.176 9.166 344 HB2 TRP 52 HB2 TRP 52 16.246 -1.465 8.976 345 HB3 TRP 52 HB1 TRP 52 17.592 -1.861 10.040 346 HD1 TRP 52 HD TRP 52 14.381 0.217 9.915 347 HE1 TRP 52 HE1 TRP 52 13.657 0.763 12.329 348 HE3 TRP 52 HE3 TRP 52 18.411 -1.582 12.460 349 HZ2 TRP 52 HZ2 TRP 52 14.666 0.474 14.994 350 HZ3 TRP 52 HZ3 TRP 52 18.513 -1.434 14.933 351 HH2 TRP 52 HH TRP 52 16.646 -0.409 16.202 352 H ASN 53 H ASN 53 15.450 0.051 8.069 353 HA ASN 53 HA ASN 53 16.395 0.860 5.373 354 HB2 ASN 53 HB2 ASN 53 15.745 -1.809 6.011 355 HB3 ASN 53 HB1 ASN 53 14.354 -1.177 5.129 356 HD21 ASN 53 1HD2 ASN 53 17.506 -2.447 4.741 357 HD22 ASN 53 2HD2 ASN 53 17.732 -2.019 3.114 358 H ASP 54 H ASP 54 14.841 2.048 4.228 359 HA ASP 54 HA ASP 54 12.658 3.146 5.822 360 HB2 ASP 54 HB2 ASP 54 13.609 3.584 2.985 361 HB3 ASP 54 HB1 ASP 54 12.167 4.376 3.625 362 H ASP 55 H ASP 55 10.393 3.031 5.211 363 HA ASP 55 HA ASP 55 9.577 0.381 4.364 364 HB2 ASP 55 HB2 ASP 55 7.958 2.914 4.783 365 HB3 ASP 55 HB1 ASP 55 7.275 1.303 4.558 366 H ARG 56 H ARG 56 9.007 -0.285 2.318 367 HA ARG 56 HA ARG 56 8.838 1.834 0.219 368 HB2 ARG 56 HB2 ARG 56 9.711 -0.957 -0.429 369 HB3 ARG 56 HB1 ARG 56 10.087 0.556 -1.252 370 HG2 ARG 56 HG2 ARG 56 11.114 0.908 1.319 371 HG3 ARG 56 HG1 ARG 56 11.524 -0.758 0.909 372 HD2 ARG 56 HD2 ARG 56 12.546 -0.019 -1.192 373 HD3 ARG 56 HD1 ARG 56 12.083 1.648 -0.851 374 HE ARG 56 HE ARG 56 13.648 0.635 1.325 375 HH11 ARG 56 1HH2 ARG 56 13.676 2.811 -1.179 376 HH12 ARG 56 2HH2 ARG 56 15.390 2.798 -1.430 377 HH21 ARG 56 1HH1 ARG 56 15.946 0.095 0.669 378 HH22 ARG 56 2HH1 ARG 56 16.674 1.262 -0.384 379 H CYS 57 H CYS 57 7.195 1.606 -1.337 380 HA CYS 57 HA CYS 57 4.772 0.380 -0.619 381 HB2 CYS 57 HB2 CYS 57 5.023 2.029 -2.496 382 HB3 CYS 57 HB1 CYS 57 5.771 0.751 -3.449 383 H THR 58 H THR 58 3.833 -1.600 -1.103 384 HA THR 58 HA THR 58 5.597 -3.870 -1.382 385 HB THR 58 HB THR 58 2.832 -4.499 -1.924 386 HG1 THR 58 HG1 THR 58 1.859 -3.207 -0.609 387 HG21 THR 58 3HG2 THR 58 4.956 -5.106 0.067 388 HG22 THR 58 1HG2 THR 58 3.944 -6.205 -0.869 389 HG23 THR 58 2HG2 THR 58 3.290 -5.408 0.562 390 H GLY 59 H GLY 59 3.339 -2.190 -3.549 391 HA2 GLY 59 HA2 GLY 59 4.085 -2.120 -5.960 392 HA3 GLY 59 HA1 GLY 59 4.444 -3.838 -5.791 393 H GLN 60 H GLN 60 2.006 -4.256 -4.124 394 HA GLN 60 HA GLN 60 -0.067 -3.934 -6.254 395 HB2 GLN 60 HB2 GLN 60 0.789 -6.375 -4.730 396 HB3 GLN 60 HB1 GLN 60 -0.899 -6.218 -5.219 397 HG2 GLN 60 HG2 GLN 60 0.326 -5.523 -7.537 398 HG3 GLN 60 HG1 GLN 60 1.517 -6.649 -6.883 399 HE21 GLN 60 1HE2 GLN 60 -0.761 -8.101 -5.404 400 HE22 GLN 60 2HE2 GLN 60 -1.497 -9.045 -6.608 401 H SER 61 H SER 61 0.820 -3.276 -3.084 402 HA SER 61 HA SER 61 -2.050 -3.170 -2.230 403 HB2 SER 61 HB2 SER 61 0.078 -4.353 -0.933 404 HB3 SER 61 HB1 SER 61 -0.023 -2.783 -0.143 405 HG SER 61 HG SER 61 -1.445 -4.753 0.494 406 H ALA 62 H ALA 62 -2.911 -1.191 -1.705 407 HA ALA 62 HA ALA 62 -1.430 1.199 -2.419 408 HB1 ALA 62 HB1 ALA 62 -4.175 0.554 -1.481 409 HB2 ALA 62 HB2 ALA 62 -3.653 1.623 -2.784 410 HB3 ALA 62 HB3 ALA 62 -3.590 2.177 -1.111 411 H ASP 63 H ASP 63 -2.181 -0.476 0.581 412 HA ASP 63 HA ASP 63 -1.247 1.730 2.262 413 HB2 ASP 63 HB2 ASP 63 -2.553 -0.823 2.654 414 HB3 ASP 63 HB1 ASP 63 -1.164 -0.679 3.733 415 H CYS 64 H CYS 64 0.741 1.610 3.542 416 HA CYS 64 HA CYS 64 2.856 0.137 2.067 417 HB2 CYS 64 HB2 CYS 64 3.168 2.548 2.283 418 HB3 CYS 64 HB1 CYS 64 3.074 2.436 4.034 419 HA PRO 65 HA PRO 65 2.902 -2.649 5.507 420 HB2 PRO 65 HB2 PRO 65 4.559 -4.422 4.242 421 HB3 PRO 65 HB1 PRO 65 2.819 -4.357 3.964 422 HG2 PRO 65 HG2 PRO 65 5.053 -3.466 2.218 423 HG3 PRO 65 HG1 PRO 65 3.404 -3.942 1.777 424 HD2 PRO 65 HD2 PRO 65 4.386 -1.294 1.961 425 HD3 PRO 65 HD1 PRO 65 2.685 -1.778 1.808 426 H ARG 66 H ARG 66 5.114 -4.118 6.167 427 HA ARG 66 HA ARG 66 7.098 -2.017 6.893 428 HB2 ARG 66 HB2 ARG 66 5.859 -3.717 8.544 429 HB3 ARG 66 HB1 ARG 66 7.184 -4.772 8.054 430 HG2 ARG 66 HG2 ARG 66 7.990 -3.622 9.975 431 HG3 ARG 66 HG1 ARG 66 8.745 -2.811 8.602 432 HD2 ARG 66 HD2 ARG 66 7.620 -1.354 10.458 433 HD3 ARG 66 HD1 ARG 66 7.343 -0.941 8.767 434 HE ARG 66 HE ARG 66 5.084 -1.612 9.020 435 HH11 ARG 66 1HH2 ARG 66 6.312 -1.166 12.016 436 HH12 ARG 66 2HH2 ARG 66 5.315 -2.320 12.836 437 HH21 ARG 66 1HH1 ARG 66 4.100 -3.740 9.917 438 HH22 ARG 66 2HH1 ARG 66 4.063 -3.777 11.648 439 H ASN 67 H ASN 67 8.998 -2.008 5.784 440 HA ASN 67 HA ASN 67 9.915 -4.592 4.585 441 HB2 ASN 67 HB2 ASN 67 9.743 -1.840 3.406 442 HB3 ASN 67 HB1 ASN 67 11.033 -2.919 2.875 443 HD21 ASN 67 1HD2 ASN 67 7.453 -2.850 3.292 444 HD22 ASN 67 2HD2 ASN 67 7.136 -3.914 2.010 445 H GLY 68 H GLY 68 10.676 -1.900 6.579 446 HA2 GLY 68 HA2 GLY 68 13.539 -2.771 6.593 447 HA3 GLY 68 HA1 GLY 68 13.080 -1.078 6.764 448 H LEU 69 H LEU 69 10.871 -3.155 8.294 449 HA LEU 69 HA LEU 69 12.257 -2.739 10.913 450 HB2 LEU 69 HB2 LEU 69 9.647 -1.849 10.019 451 HB3 LEU 69 HB1 LEU 69 9.494 -2.919 11.413 452 HG LEU 69 HG LEU 69 9.785 -0.544 12.092 453 HD11 LEU 69 1HD1 LEU 69 10.592 -2.353 13.562 454 HD12 LEU 69 2HD1 LEU 69 11.643 -0.943 13.675 455 HD13 LEU 69 3HD1 LEU 69 12.145 -2.344 12.729 456 HD21 LEU 69 3HD2 LEU 69 12.593 -0.770 10.999 457 HD22 LEU 69 1HD2 LEU 69 11.752 0.675 11.560 458 HD23 LEU 69 2HD2 LEU 69 11.281 -0.085 10.039 459 H TYR 70 H TYR 70 10.409 -4.176 12.471 460 HA TYR 70 HA TYR 70 10.647 -6.926 11.315 461 HB2 TYR 70 HB2 TYR 70 10.643 -7.368 14.013 462 HB3 TYR 70 HB1 TYR 70 12.106 -7.244 13.039 463 HD1 TYR 70 HD2 TYR 70 9.668 -5.108 14.926 464 HD2 TYR 70 HD1 TYR 70 13.708 -5.619 13.558 465 HE1 TYR 70 HE2 TYR 70 10.357 -3.097 16.206 466 HE2 TYR 70 HE1 TYR 70 14.396 -3.610 14.837 467 HH TYR 70 HH TYR 70 13.762 -2.111 16.384 468 H GLY 71 H GLY 71 8.847 -8.255 11.547 469 HA2 GLY 71 HA2 GLY 71 6.774 -8.257 13.323 470 HA3 GLY 71 HA1 GLY 71 6.341 -6.912 12.269
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