NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9395 | 1nwb | 5683 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -12.217 -0.029 20.875 2 1HB MET 1 1HB MET 1 -14.238 -0.548 23.101 3 2HB MET 1 2HB MET 1 -13.875 -1.813 21.944 4 1HG MET 1 1HG MET 1 -11.472 -1.721 22.534 5 2HG MET 1 2HG MET 1 -11.757 -0.364 23.606 6 1HE MET 1 1HE MET 1 -12.993 -1.758 26.785 7 2HE MET 1 2HE MET 1 -12.169 -0.478 25.864 8 3HE MET 1 3HE MET 1 -13.913 -0.752 25.641 9 H GLN 2 H GLN 2 -12.928 -0.254 18.803 10 HA GLN 2 HA GLN 2 -15.404 -1.059 18.103 11 1HB GLN 2 1HB GLN 2 -15.489 1.721 18.811 12 2HB GLN 2 2HB GLN 2 -15.682 1.627 17.072 13 1HG GLN 2 1HG GLN 2 -17.579 0.123 17.270 14 2HG GLN 2 2HG GLN 2 -17.279 -0.137 18.977 15 1HE2 GLN 2 1HE2 GLN 2 -17.260 1.872 20.347 16 2HE2 GLN 2 2HE2 GLN 2 -18.487 3.060 20.058 17 H GLU 3 H GLU 3 -15.841 -0.549 15.604 18 HA GLU 3 HA GLU 3 -13.426 -1.195 14.322 19 1HB GLU 3 1HB GLU 3 -14.889 -1.029 12.225 20 2HB GLU 3 2HB GLU 3 -15.416 -2.173 13.443 21 1HG GLU 3 1HG GLU 3 -17.223 -0.827 14.133 22 2HG GLU 3 2HG GLU 3 -16.470 0.656 13.582 23 H GLN 4 H GLN 4 -12.199 0.019 12.775 24 HA GLN 4 HA GLN 4 -12.607 2.881 13.085 25 1HB GLN 4 1HB GLN 4 -10.318 1.286 13.379 26 2HB GLN 4 2HB GLN 4 -10.088 2.042 11.815 27 1HG GLN 4 1HG GLN 4 -9.278 3.802 13.035 28 2HG GLN 4 2HG GLN 4 -10.969 4.204 13.258 29 1HE2 GLN 4 1HE2 GLN 4 -12.084 3.150 15.104 30 2HE2 GLN 4 2HE2 GLN 4 -11.228 2.975 16.599 31 H ALA 5 H ALA 5 -14.336 2.933 11.461 32 HA ALA 5 HA ALA 5 -13.825 2.013 8.822 33 1HB ALA 5 1HB ALA 5 -15.881 4.111 9.424 34 2HB ALA 5 2HB ALA 5 -16.010 2.639 8.432 35 3HB ALA 5 3HB ALA 5 -16.058 2.522 10.207 36 H GLN 6 H GLN 6 -12.849 3.041 7.127 37 HA GLN 6 HA GLN 6 -12.803 5.806 6.876 38 1HB GLN 6 1HB GLN 6 -11.186 5.713 8.748 39 2HB GLN 6 2HB GLN 6 -10.192 4.575 7.861 40 1HG GLN 6 1HG GLN 6 -9.191 6.241 6.684 41 2HG GLN 6 2HG GLN 6 -10.736 6.913 6.201 42 1HE2 GLN 6 1HE2 GLN 6 -11.357 8.781 7.005 43 2HE2 GLN 6 2HE2 GLN 6 -10.659 9.613 8.355 44 H GLN 7 H GLN 7 -12.578 6.194 4.702 45 HA GLN 7 HA GLN 7 -11.172 4.127 3.196 46 1HB GLN 7 1HB GLN 7 -13.854 4.569 3.028 47 2HB GLN 7 2HB GLN 7 -13.305 5.724 1.830 48 1HG GLN 7 1HG GLN 7 -12.731 4.086 0.347 49 2HG GLN 7 2HG GLN 7 -11.911 3.140 1.574 50 1HE2 GLN 7 1HE2 GLN 7 -13.592 2.188 -0.525 51 2HE2 GLN 7 2HE2 GLN 7 -14.946 1.370 0.179 52 H PHE 8 H PHE 8 -9.187 5.095 2.826 53 HA PHE 8 HA PHE 8 -9.021 7.899 2.308 54 1HB PHE 8 1HB PHE 8 -7.143 6.923 3.427 55 2HB PHE 8 2HB PHE 8 -7.229 5.451 2.480 56 HD1 PHE 8 1HD PHE 8 -7.130 8.922 1.170 57 HD2 PHE 8 2HD PHE 8 -5.024 5.276 1.698 58 HE1 PHE 8 1HE PHE 8 -5.292 9.769 -0.314 59 HE2 PHE 8 2HE PHE 8 -3.186 6.123 0.214 60 HZ PHE 8 HZ PHE 8 -3.342 8.359 -0.775 61 H ILE 9 H ILE 9 -8.975 8.948 0.359 62 HA ILE 9 HA ILE 9 -9.581 7.429 -1.975 63 HB ILE 9 HB ILE 9 -8.928 10.362 -1.682 64 1HG1 ILE 9 1HG1 ILE 9 -10.773 9.571 -0.181 65 2HG1 ILE 9 2HG1 ILE 9 -11.242 10.789 -1.350 66 1HG2 ILE 9 1HG2 ILE 9 -10.544 10.378 -3.734 67 2HG2 ILE 9 2HG2 ILE 9 -8.823 9.980 -3.953 68 3HG2 ILE 9 3HG2 ILE 9 -10.038 8.680 -3.904 69 1HD1 ILE 9 1HD1 ILE 9 -12.881 9.396 -2.054 70 2HD1 ILE 9 2HD1 ILE 9 -11.620 8.305 -2.677 71 3HD1 ILE 9 3HD1 ILE 9 -12.256 8.081 -1.029 72 H PHE 10 H PHE 10 -8.080 6.244 -3.026 73 HA PHE 10 HA PHE 10 -5.658 7.551 -3.838 74 1HB PHE 10 1HB PHE 10 -5.454 6.399 -1.435 75 2HB PHE 10 2HB PHE 10 -5.508 4.892 -2.328 76 HD1 PHE 10 1HD PHE 10 -3.363 4.021 -2.079 77 HD2 PHE 10 2HD PHE 10 -3.813 8.070 -3.265 78 HE1 PHE 10 1HE PHE 10 -0.891 4.175 -2.490 79 HE2 PHE 10 2HE PHE 10 -1.342 8.225 -3.676 80 HZ PHE 10 HZ PHE 10 0.090 6.275 -3.284 81 H LYS 11 H LYS 11 -4.609 6.448 -5.604 82 HA LYS 11 HA LYS 11 -6.006 4.061 -6.552 83 1HB LYS 11 1HB LYS 11 -5.481 6.532 -8.231 84 2HB LYS 11 2HB LYS 11 -6.084 5.002 -8.834 85 1HG LYS 11 1HG LYS 11 -7.529 6.353 -6.541 86 2HG LYS 11 2HG LYS 11 -7.774 6.949 -8.171 87 1HD LYS 11 1HD LYS 11 -8.663 4.852 -8.931 88 2HD LYS 11 2HD LYS 11 -8.047 3.987 -7.538 89 1HE LYS 11 1HE LYS 11 -9.693 4.905 -6.075 90 2HE LYS 11 2HE LYS 11 -10.053 6.234 -7.159 91 1HZ LYS 11 1HZ LYS 11 -11.445 3.967 -7.021 92 2HZ LYS 11 2HZ LYS 11 -11.457 4.975 -8.305 93 3HZ LYS 11 3HZ LYS 11 -10.491 3.658 -8.310 94 H VAL 12 H VAL 12 -4.468 2.513 -6.573 95 HA VAL 12 HA VAL 12 -1.785 3.345 -7.441 96 HB VAL 12 HB VAL 12 -2.350 2.417 -5.039 97 1HG1 VAL 12 1HG1 VAL 12 -1.954 -0.042 -4.922 98 2HG1 VAL 12 2HG1 VAL 12 -3.486 0.391 -5.718 99 3HG1 VAL 12 3HG1 VAL 12 -2.087 -0.114 -6.695 100 1HG2 VAL 12 1HG2 VAL 12 -0.114 3.025 -5.873 101 2HG2 VAL 12 2HG2 VAL 12 -0.066 1.547 -4.882 102 3HG2 VAL 12 3HG2 VAL 12 0.026 1.432 -6.656 103 H THR 13 H THR 13 -0.729 2.114 -9.036 104 HA THR 13 HA THR 13 -2.405 0.876 -10.919 105 HB THR 13 HB THR 13 -0.275 0.481 -12.086 106 HG1 THR 13 1HG THR 13 0.942 1.300 -9.558 107 1HG2 THR 13 1HG2 THR 13 -0.804 3.046 -10.731 108 2HG2 THR 13 2HG2 THR 13 0.937 2.782 -10.992 109 3HG2 THR 13 3HG2 THR 13 -0.184 2.754 -12.374 110 H ASP 14 H ASP 14 -1.594 -1.422 -11.840 111 HA ASP 14 HA ASP 14 -2.394 -3.196 -9.772 112 1HB ASP 14 1HB ASP 14 -2.244 -3.174 -12.677 113 2HB ASP 14 2HB ASP 14 -1.488 -4.638 -12.080 114 H LYS 15 H LYS 15 0.578 -2.097 -11.336 115 HA LYS 15 HA LYS 15 2.180 -4.349 -10.807 116 1HB LYS 15 1HB LYS 15 2.438 -1.944 -12.177 117 2HB LYS 15 2HB LYS 15 3.577 -1.778 -10.857 118 1HG LYS 15 1HG LYS 15 4.769 -2.846 -12.664 119 2HG LYS 15 2HG LYS 15 4.497 -4.078 -11.447 120 1HD LYS 15 1HD LYS 15 2.425 -4.804 -12.733 121 2HD LYS 15 2HD LYS 15 2.855 -3.660 -13.989 122 1HE LYS 15 1HE LYS 15 4.863 -4.845 -14.551 123 2HE LYS 15 2HE LYS 15 4.854 -5.751 -13.051 124 1HZ LYS 15 1HZ LYS 15 2.851 -6.016 -15.185 125 2HZ LYS 15 2HZ LYS 15 4.072 -7.062 -14.899 126 3HZ LYS 15 3HZ LYS 15 2.879 -6.879 -13.799 127 H ALA 16 H ALA 16 1.595 -1.252 -9.020 128 HA ALA 16 HA ALA 16 3.357 -1.673 -6.954 129 1HB ALA 16 1HB ALA 16 2.337 0.160 -6.038 130 2HB ALA 16 2HB ALA 16 1.595 0.259 -7.653 131 3HB ALA 16 3HB ALA 16 0.699 -0.483 -6.305 132 H VAL 17 H VAL 17 -0.178 -2.533 -7.060 133 HA VAL 17 HA VAL 17 -0.236 -3.843 -4.632 134 HB VAL 17 HB VAL 17 -1.841 -3.844 -7.138 135 1HG1 VAL 17 1HG1 VAL 17 -1.973 -5.998 -5.030 136 2HG1 VAL 17 2HG1 VAL 17 -3.430 -5.495 -5.920 137 3HG1 VAL 17 3HG1 VAL 17 -2.030 -6.149 -6.803 138 1HG2 VAL 17 1HG2 VAL 17 -3.127 -3.656 -4.486 139 2HG2 VAL 17 2HG2 VAL 17 -1.911 -2.399 -4.818 140 3HG2 VAL 17 3HG2 VAL 17 -3.291 -2.617 -5.921 141 H GLU 18 H GLU 18 0.607 -5.045 -7.928 142 HA GLU 18 HA GLU 18 0.795 -7.707 -7.217 143 1HB GLU 18 1HB GLU 18 1.532 -6.004 -9.488 144 2HB GLU 18 2HB GLU 18 2.707 -7.282 -9.248 145 1HG GLU 18 1HG GLU 18 0.573 -8.839 -9.006 146 2HG GLU 18 2HG GLU 18 -0.261 -7.527 -9.815 147 H GLU 19 H GLU 19 3.040 -4.967 -6.836 148 HA GLU 19 HA GLU 19 5.318 -6.511 -6.367 149 1HB GLU 19 1HB GLU 19 5.490 -4.154 -6.966 150 2HB GLU 19 2HB GLU 19 4.575 -3.671 -5.552 151 1HG GLU 19 1HG GLU 19 6.699 -3.329 -4.702 152 2HG GLU 19 2HG GLU 19 6.526 -5.019 -4.269 153 H ILE 20 H ILE 20 2.671 -5.285 -4.282 154 HA ILE 20 HA ILE 20 3.972 -6.035 -1.860 155 HB ILE 20 HB ILE 20 1.021 -5.618 -2.126 156 1HG1 ILE 20 1HG1 ILE 20 1.636 -3.846 -3.488 157 2HG1 ILE 20 2HG1 ILE 20 1.592 -3.110 -1.899 158 1HG2 ILE 20 1HG2 ILE 20 2.392 -6.136 0.041 159 2HG2 ILE 20 2HG2 ILE 20 2.824 -4.412 -0.054 160 3HG2 ILE 20 3HG2 ILE 20 1.115 -4.896 0.060 161 1HD1 ILE 20 1HD1 ILE 20 4.197 -3.990 -1.962 162 2HD1 ILE 20 2HD1 ILE 20 3.916 -3.627 -3.682 163 3HD1 ILE 20 3HD1 ILE 20 3.683 -2.359 -2.454 164 H LYS 21 H LYS 21 1.534 -7.488 -4.075 165 HA LYS 21 HA LYS 21 0.955 -9.680 -2.421 166 1HB LYS 21 1HB LYS 21 0.604 -9.081 -5.354 167 2HB LYS 21 2HB LYS 21 0.216 -10.665 -4.712 168 1HG LYS 21 1HG LYS 21 -1.021 -9.048 -2.851 169 2HG LYS 21 2HG LYS 21 -1.167 -8.054 -4.287 170 1HD LYS 21 1HD LYS 21 -1.860 -10.992 -4.483 171 2HD LYS 21 2HD LYS 21 -3.002 -9.909 -3.711 172 1HE LYS 21 1HE LYS 21 -3.740 -9.703 -5.902 173 2HE LYS 21 2HE LYS 21 -2.553 -8.414 -5.897 174 1HZ LYS 21 1HZ LYS 21 -2.534 -10.810 -7.358 175 2HZ LYS 21 2HZ LYS 21 -1.572 -9.501 -7.523 176 3HZ LYS 21 3HZ LYS 21 -1.163 -10.689 -6.479 177 H LYS 22 H LYS 22 3.450 -9.058 -4.931 178 HA LYS 22 HA LYS 22 4.396 -11.726 -4.945 179 1HB LYS 22 1HB LYS 22 4.946 -10.636 -6.881 180 2HB LYS 22 2HB LYS 22 5.235 -9.102 -6.086 181 1HG LYS 22 1HG LYS 22 7.435 -9.610 -5.583 182 2HG LYS 22 2HG LYS 22 7.096 -11.307 -5.303 183 1HD LYS 22 1HD LYS 22 7.246 -11.863 -7.589 184 2HD LYS 22 2HD LYS 22 6.852 -10.241 -8.121 185 1HE LYS 22 1HE LYS 22 9.095 -9.474 -7.147 186 2HE LYS 22 2HE LYS 22 9.482 -11.161 -6.872 187 1HZ LYS 22 1HZ LYS 22 9.607 -9.715 -9.261 188 2HZ LYS 22 2HZ LYS 22 10.129 -11.233 -8.959 189 3HZ LYS 22 3HZ LYS 22 8.596 -10.982 -9.462 190 H VAL 23 H VAL 23 5.523 -8.666 -3.357 191 HA VAL 23 HA VAL 23 7.734 -9.701 -2.102 192 HB VAL 23 HB VAL 23 5.831 -7.461 -1.612 193 1HG1 VAL 23 1HG1 VAL 23 7.602 -8.663 0.462 194 2HG1 VAL 23 2HG1 VAL 23 7.613 -6.889 0.315 195 3HG1 VAL 23 3HG1 VAL 23 6.086 -7.746 0.635 196 1HG2 VAL 23 1HG2 VAL 23 7.482 -6.184 -2.471 197 2HG2 VAL 23 2HG2 VAL 23 8.755 -7.040 -1.569 198 3HG2 VAL 23 3HG2 VAL 23 8.119 -7.730 -3.081 199 H ALA 24 H ALA 24 4.287 -9.655 -0.997 200 HA ALA 24 HA ALA 24 4.852 -10.936 1.455 201 1HB ALA 24 1HB ALA 24 2.158 -11.310 0.315 202 2HB ALA 24 2HB ALA 24 2.659 -10.522 1.830 203 3HB ALA 24 3HB ALA 24 2.713 -9.619 0.297 204 H GLN 25 H GLN 25 3.852 -12.059 -1.824 205 HA GLN 25 HA GLN 25 3.345 -14.667 -1.155 206 1HB GLN 25 1HB GLN 25 3.935 -13.131 -3.608 207 2HB GLN 25 2HB GLN 25 4.439 -14.806 -3.720 208 1HG GLN 25 1HG GLN 25 2.161 -15.550 -3.021 209 2HG GLN 25 2HG GLN 25 1.653 -13.879 -2.871 210 1HE2 GLN 25 1HE2 GLN 25 0.014 -14.697 -4.399 211 2HE2 GLN 25 2HE2 GLN 25 0.333 -14.609 -6.100 212 H GLU 26 H GLU 26 6.425 -12.946 -1.663 213 HA GLU 26 HA GLU 26 7.917 -15.371 -1.758 214 1HB GLU 26 1HB GLU 26 8.364 -12.705 -2.509 215 2HB GLU 26 2HB GLU 26 9.437 -12.925 -1.141 216 1HG GLU 26 1HG GLU 26 10.106 -15.184 -2.336 217 2HG GLU 26 2HG GLU 26 9.383 -14.460 -3.759 218 H ASN 27 H ASN 27 6.350 -13.646 0.694 219 HA ASN 27 HA ASN 27 8.353 -14.432 2.652 220 1HB ASN 27 1HB ASN 27 6.152 -12.347 2.600 221 2HB ASN 27 2HB ASN 27 6.658 -12.982 4.152 222 1HD2 ASN 27 1HD2 ASN 27 7.321 -10.847 1.610 223 2HD2 ASN 27 2HD2 ASN 27 8.868 -10.254 2.118 224 H ASN 28 H ASN 28 5.399 -15.329 1.173 225 HA ASN 28 HA ASN 28 4.107 -17.060 1.548 226 1HB ASN 28 1HB ASN 28 6.132 -17.773 3.216 227 2HB ASN 28 2HB ASN 28 4.914 -17.447 4.433 228 1HD2 ASN 28 1HD2 ASN 28 5.234 -19.756 4.835 229 2HD2 ASN 28 2HD2 ASN 28 4.295 -20.915 3.953 230 H ILE 29 H ILE 29 3.655 -14.175 2.287 231 HA ILE 29 HA ILE 29 1.809 -14.441 4.538 232 HB ILE 29 HB ILE 29 2.902 -11.989 3.153 233 1HG1 ILE 29 1HG1 ILE 29 3.604 -12.951 5.927 234 2HG1 ILE 29 2HG1 ILE 29 4.495 -13.497 4.520 235 1HG2 ILE 29 1HG2 ILE 29 1.087 -11.025 4.053 236 2HG2 ILE 29 2HG2 ILE 29 0.773 -12.391 5.150 237 3HG2 ILE 29 3HG2 ILE 29 1.986 -11.162 5.583 238 1HD1 ILE 29 1HD1 ILE 29 5.474 -11.451 5.670 239 2HD1 ILE 29 2HD1 ILE 29 5.143 -11.233 3.935 240 3HD1 ILE 29 3HD1 ILE 29 4.032 -10.548 5.147 241 H GLU 30 H GLU 30 -0.405 -13.856 4.349 242 HA GLU 30 HA GLU 30 -1.276 -13.688 1.568 243 1HB GLU 30 1HB GLU 30 -1.876 -15.683 3.521 244 2HB GLU 30 2HB GLU 30 -3.343 -14.749 3.311 245 1HG GLU 30 1HG GLU 30 -3.507 -15.261 1.006 246 2HG GLU 30 2HG GLU 30 -1.799 -15.627 0.859 247 H ASN 31 H ASN 31 -0.733 -11.775 4.078 248 HA ASN 31 HA ASN 31 -3.016 -10.144 3.458 249 1HB ASN 31 1HB ASN 31 -3.072 -9.650 6.097 250 2HB ASN 31 2HB ASN 31 -4.012 -10.962 5.414 251 1HD2 ASN 31 1HD2 ASN 31 -1.486 -10.046 7.504 252 2HD2 ASN 31 2HD2 ASN 31 -0.966 -11.612 8.029 253 HA PRO 32 HA PRO 32 1.053 -8.076 4.053 254 1HB PRO 32 1HB PRO 32 1.372 -7.069 1.533 255 2HB PRO 32 2HB PRO 32 2.077 -8.586 2.055 256 1HG PRO 32 1HG PRO 32 -0.263 -8.135 0.306 257 2HG PRO 32 2HG PRO 32 0.702 -9.585 0.495 258 1HD PRO 32 1HD PRO 32 -1.902 -9.100 1.597 259 2HD PRO 32 2HD PRO 32 -0.888 -10.501 1.880 260 H ILE 33 H ILE 33 1.188 -6.148 5.025 261 HA ILE 33 HA ILE 33 -1.011 -4.341 4.331 262 HB ILE 33 HB ILE 33 0.656 -4.697 6.814 263 1HG1 ILE 33 1HG1 ILE 33 -2.342 -4.817 6.381 264 2HG1 ILE 33 2HG1 ILE 33 -1.289 -6.217 6.420 265 1HG2 ILE 33 1HG2 ILE 33 -0.489 -2.256 5.804 266 2HG2 ILE 33 2HG2 ILE 33 -1.326 -2.753 7.294 267 3HG2 ILE 33 3HG2 ILE 33 0.441 -2.543 7.294 268 1HD1 ILE 33 1HD1 ILE 33 -1.749 -4.221 8.681 269 2HD1 ILE 33 2HD1 ILE 33 -2.245 -5.930 8.638 270 3HD1 ILE 33 3HD1 ILE 33 -0.519 -5.506 8.730 271 H LEU 34 H LEU 34 -0.523 -2.726 2.955 272 HA LEU 34 HA LEU 34 2.272 -1.973 2.689 273 1HB LEU 34 1HB LEU 34 0.743 -2.564 0.752 274 2HB LEU 34 2HB LEU 34 -0.079 -1.045 1.047 275 HG LEU 34 HG LEU 34 1.972 0.201 0.595 276 1HD1 LEU 34 1HD1 LEU 34 3.951 -0.754 0.904 277 2HD1 LEU 34 2HD1 LEU 34 3.216 -2.374 0.980 278 3HD1 LEU 34 3HD1 LEU 34 3.686 -1.683 -0.591 279 1HD2 LEU 34 1HD2 LEU 34 0.592 -1.480 -1.331 280 2HD2 LEU 34 2HD2 LEU 34 1.118 0.216 -1.458 281 3HD2 LEU 34 3HD2 LEU 34 2.251 -1.099 -1.853 282 H ARG 35 H ARG 35 3.072 -0.358 3.910 283 HA ARG 35 HA ARG 35 1.145 1.597 4.856 284 1HB ARG 35 1HB ARG 35 2.597 1.980 6.732 285 2HB ARG 35 2HB ARG 35 2.590 0.242 6.510 286 1HG ARG 35 1HG ARG 35 4.713 0.477 5.123 287 2HG ARG 35 2HG ARG 35 4.742 2.179 5.539 288 1HD ARG 35 1HD ARG 35 4.437 1.022 8.040 289 2HD ARG 35 2HD ARG 35 5.402 -0.190 7.221 290 HE ARG 35 HE ARG 35 6.557 2.340 6.629 291 1HH1 ARG 35 2HH2 ARG 35 6.043 0.259 9.419 292 2HH1 ARG 35 1HH2 ARG 35 7.434 0.842 10.271 293 1HH2 ARG 35 2HH1 ARG 35 8.393 3.109 7.751 294 2HH2 ARG 35 1HH1 ARG 35 8.780 2.474 9.315 295 H ILE 36 H ILE 36 1.615 3.881 4.643 296 HA ILE 36 HA ILE 36 3.625 4.422 2.583 297 HB ILE 36 HB ILE 36 1.064 5.780 3.384 298 1HG1 ILE 36 1HG1 ILE 36 1.125 3.809 1.770 299 2HG1 ILE 36 2HG1 ILE 36 0.312 5.262 1.225 300 1HG2 ILE 36 1HG2 ILE 36 1.566 7.587 1.845 301 2HG2 ILE 36 2HG2 ILE 36 2.798 7.512 3.128 302 3HG2 ILE 36 3HG2 ILE 36 3.167 6.887 1.503 303 1HD1 ILE 36 1HD1 ILE 36 3.236 5.106 0.609 304 2HD1 ILE 36 2HD1 ILE 36 2.182 3.967 -0.263 305 3HD1 ILE 36 3HD1 ILE 36 1.894 5.719 -0.388 306 H ARG 37 H ARG 37 5.385 5.683 3.013 307 HA ARG 37 HA ARG 37 5.291 7.334 5.362 308 1HB ARG 37 1HB ARG 37 6.487 4.776 5.480 309 2HB ARG 37 2HB ARG 37 7.844 5.861 5.253 310 1HG ARG 37 1HG ARG 37 5.864 6.847 7.233 311 2HG ARG 37 2HG ARG 37 6.605 5.325 7.687 312 1HD ARG 37 1HD ARG 37 8.248 7.727 6.766 313 2HD ARG 37 2HD ARG 37 7.829 7.467 8.448 314 HE ARG 37 HE ARG 37 9.028 5.103 7.219 315 1HH1 ARG 37 2HH2 ARG 37 9.727 8.174 8.787 316 2HH1 ARG 37 1HH2 ARG 37 11.303 7.691 9.318 317 1HH2 ARG 37 2HH1 ARG 37 11.108 4.464 7.918 318 2HH2 ARG 37 1HH1 ARG 37 12.094 5.566 8.820 319 H VAL 38 H VAL 38 6.089 9.310 4.715 320 HA VAL 38 HA VAL 38 7.271 9.698 2.231 321 HB VAL 38 HB VAL 38 7.247 11.398 4.731 322 1HG1 VAL 38 1HG1 VAL 38 7.389 13.012 2.407 323 2HG1 VAL 38 2HG1 VAL 38 8.607 12.827 3.692 324 3HG1 VAL 38 3HG1 VAL 38 8.665 11.780 2.254 325 1HG2 VAL 38 1HG2 VAL 38 5.399 11.148 2.352 326 2HG2 VAL 38 2HG2 VAL 38 5.010 11.044 4.085 327 3HG2 VAL 38 3HG2 VAL 38 5.441 12.612 3.363 328 H VAL 39 H VAL 39 9.336 9.542 1.478 329 HA VAL 39 HA VAL 39 11.443 9.257 3.504 330 HB VAL 39 HB VAL 39 10.988 7.639 0.993 331 1HG1 VAL 39 1HG1 VAL 39 13.447 8.449 1.781 332 2HG1 VAL 39 2HG1 VAL 39 13.270 6.985 2.777 333 3HG1 VAL 39 3HG1 VAL 39 13.126 6.880 1.006 334 1HG2 VAL 39 1HG2 VAL 39 11.390 5.847 2.992 335 2HG2 VAL 39 2HG2 VAL 39 10.610 7.167 3.896 336 3HG2 VAL 39 3HG2 VAL 39 9.787 6.441 2.494 337 HA PRO 40 HA PRO 40 13.231 12.434 1.157 338 1HB PRO 40 1HB PRO 40 15.686 12.522 2.355 339 2HB PRO 40 2HB PRO 40 14.268 13.310 3.017 340 1HG PRO 40 1HG PRO 40 15.596 10.827 3.914 341 2HG PRO 40 2HG PRO 40 14.469 11.846 4.787 342 1HD PRO 40 1HD PRO 40 13.895 9.325 3.546 343 2HD PRO 40 2HD PRO 40 12.746 10.399 4.318 344 H GLY 41 H GLY 41 13.342 11.859 -0.956 345 1HA GLY 41 1HA GLY 41 15.336 9.870 -1.680 346 2HA GLY 41 2HA GLY 41 14.144 10.623 -2.720 347 H GLY 42 H GLY 42 14.826 12.193 -4.126 348 1HA GLY 42 1HA GLY 42 16.558 14.259 -3.613 349 2HA GLY 42 2HA GLY 42 17.585 12.943 -4.148 350 H CYS 43 H CYS 43 18.168 13.696 -6.195 351 HA CYS 43 HA CYS 43 16.463 14.999 -7.933 352 1HB CYS 43 1HB CYS 43 18.126 14.413 -9.685 353 2HB CYS 43 2HB CYS 43 18.850 15.097 -8.243 354 HG CYS 43 HG CYS 43 20.299 13.306 -7.703 355 H SER 44 H SER 44 17.004 11.551 -7.194 356 HA SER 44 HA SER 44 15.892 10.450 -9.448 357 1HB SER 44 1HB SER 44 15.985 9.501 -6.558 358 2HB SER 44 2HB SER 44 15.340 8.499 -7.843 359 HG SER 44 HG SER 44 17.565 9.131 -8.915 360 H GLY 45 H GLY 45 14.384 11.634 -6.390 361 1HA GLY 45 1HA GLY 45 12.118 12.674 -7.131 362 2HA GLY 45 2HA GLY 45 11.718 10.996 -7.440 363 H PHE 46 H PHE 46 10.787 13.091 -5.358 364 HA PHE 46 HA PHE 46 11.666 11.917 -2.880 365 1HB PHE 46 1HB PHE 46 9.839 14.144 -3.873 366 2HB PHE 46 2HB PHE 46 9.645 13.605 -2.217 367 HD1 PHE 46 1HD PHE 46 11.149 14.294 -0.530 368 HD2 PHE 46 2HD PHE 46 12.073 15.058 -4.600 369 HE1 PHE 46 1HE PHE 46 13.035 15.791 0.179 370 HE2 PHE 46 2HE PHE 46 13.958 16.556 -3.891 371 HZ PHE 46 HZ PHE 46 14.416 16.905 -1.510 372 H GLN 47 H GLN 47 10.641 9.815 -4.240 373 HA GLN 47 HA GLN 47 7.851 9.623 -3.506 374 1HB GLN 47 1HB GLN 47 9.664 7.791 -5.134 375 2HB GLN 47 2HB GLN 47 7.984 7.434 -4.786 376 1HG GLN 47 1HG GLN 47 7.498 8.593 -6.684 377 2HG GLN 47 2HG GLN 47 7.822 10.039 -5.749 378 1HE2 GLN 47 1HE2 GLN 47 8.261 10.677 -8.072 379 2HE2 GLN 47 2HE2 GLN 47 9.896 10.570 -8.633 380 H TYR 48 H TYR 48 7.077 8.295 -1.860 381 HA TYR 48 HA TYR 48 9.023 7.373 0.028 382 1HB TYR 48 1HB TYR 48 6.726 6.596 1.082 383 2HB TYR 48 2HB TYR 48 6.961 8.320 0.872 384 HD1 TYR 48 1HD TYR 48 5.346 5.324 -0.630 385 HD2 TYR 48 2HD TYR 48 5.524 9.597 -0.530 386 HE1 TYR 48 1HE TYR 48 3.219 5.452 -2.017 387 HE2 TYR 48 2HE TYR 48 3.397 9.711 -1.917 388 HH TYR 48 HH TYR 48 2.303 7.479 -3.722 389 H ALA 49 H ALA 49 9.613 5.271 0.538 390 HA ALA 49 HA ALA 49 9.060 3.314 -1.493 391 1HB ALA 49 1HB ALA 49 10.568 1.944 0.146 392 2HB ALA 49 2HB ALA 49 11.286 3.304 -0.751 393 3HB ALA 49 3HB ALA 49 10.821 3.509 0.955 394 H MET 50 H MET 50 8.295 1.088 -0.925 395 HA MET 50 HA MET 50 6.217 1.324 1.104 396 1HB MET 50 1HB MET 50 6.475 -0.079 -1.561 397 2HB MET 50 2HB MET 50 5.491 -0.874 -0.349 398 1HG MET 50 1HG MET 50 3.776 0.521 -0.864 399 2HG MET 50 2HG MET 50 4.722 1.872 -0.272 400 1HE MET 50 1HE MET 50 4.440 -0.597 -3.255 401 2HE MET 50 2HE MET 50 2.968 0.403 -3.292 402 3HE MET 50 3HE MET 50 4.160 0.524 -4.608 403 H GLY 51 H GLY 51 5.550 -1.045 1.948 404 1HA GLY 51 1HA GLY 51 7.661 -2.954 2.161 405 2HA GLY 51 2HA GLY 51 7.548 -1.961 3.601 406 H PHE 52 H PHE 52 7.062 -4.602 3.985 407 HA PHE 52 HA PHE 52 4.139 -4.834 3.970 408 1HB PHE 52 1HB PHE 52 4.873 -7.323 4.442 409 2HB PHE 52 2HB PHE 52 5.148 -6.701 2.826 410 HD1 PHE 52 1HD PHE 52 6.693 -7.948 5.845 411 HD2 PHE 52 2HD PHE 52 7.444 -5.995 2.154 412 HE1 PHE 52 1HE PHE 52 9.130 -8.512 6.043 413 HE2 PHE 52 2HE PHE 52 9.882 -6.558 2.352 414 HZ PHE 52 HZ PHE 52 10.696 -7.810 4.294 415 H ASP 53 H ASP 53 3.111 -4.553 5.889 416 HA ASP 53 HA ASP 53 4.720 -5.038 8.273 417 1HB ASP 53 1HB ASP 53 3.695 -2.630 7.558 418 2HB ASP 53 2HB ASP 53 2.279 -3.277 8.363 419 H ASP 54 H ASP 54 2.972 -5.307 10.269 420 HA ASP 54 HA ASP 54 0.833 -7.009 9.262 421 1HB ASP 54 1HB ASP 54 2.933 -7.540 11.360 422 2HB ASP 54 2HB ASP 54 1.332 -8.198 11.633 423 H THR 55 H THR 55 2.247 -5.113 12.014 424 HA THR 55 HA THR 55 -0.202 -4.982 13.466 425 HB THR 55 HB THR 55 2.161 -4.843 14.410 426 HG1 THR 55 1HG THR 55 0.447 -4.020 15.695 427 1HG2 THR 55 1HG2 THR 55 2.372 -1.960 14.133 428 2HG2 THR 55 2HG2 THR 55 3.587 -3.196 13.726 429 3HG2 THR 55 3HG2 THR 55 2.384 -2.696 12.512 430 H VAL 56 H VAL 56 -0.787 -2.512 14.197 431 HA VAL 56 HA VAL 56 -1.113 -0.978 11.726 432 HB VAL 56 HB VAL 56 -3.174 -2.337 13.300 433 1HG1 VAL 56 1HG1 VAL 56 -4.838 -0.532 13.158 434 2HG1 VAL 56 2HG1 VAL 56 -3.487 -0.090 14.228 435 3HG1 VAL 56 3HG1 VAL 56 -3.579 0.587 12.585 436 1HG2 VAL 56 1HG2 VAL 56 -4.450 -1.620 11.110 437 2HG2 VAL 56 2HG2 VAL 56 -2.812 -1.238 10.529 438 3HG2 VAL 56 3HG2 VAL 56 -3.206 -2.892 11.058 439 H GLU 57 H GLU 57 -1.571 1.327 12.128 440 HA GLU 57 HA GLU 57 -0.123 2.169 14.439 441 1HB GLU 57 1HB GLU 57 -1.505 4.018 12.474 442 2HB GLU 57 2HB GLU 57 -0.050 4.312 13.405 443 1HG GLU 57 1HG GLU 57 0.476 1.976 11.846 444 2HG GLU 57 2HG GLU 57 -0.318 3.106 10.767 445 H GLU 58 H GLU 58 -1.066 4.240 15.638 446 HA GLU 58 HA GLU 58 -3.549 3.353 16.725 447 1HB GLU 58 1HB GLU 58 -1.330 4.652 17.752 448 2HB GLU 58 2HB GLU 58 -2.474 5.973 17.618 449 1HG GLU 58 1HG GLU 58 -4.032 4.955 19.088 450 2HG GLU 58 2HG GLU 58 -3.378 3.349 18.835 451 H GLY 59 H GLY 59 -4.064 3.944 14.097 452 1HA GLY 59 1HA GLY 59 -6.151 5.127 13.548 453 2HA GLY 59 2HA GLY 59 -5.427 6.568 14.232 454 H ASP 60 H ASP 60 -4.863 4.034 11.699 455 HA ASP 60 HA ASP 60 -3.549 6.129 10.155 456 1HB ASP 60 1HB ASP 60 -2.606 3.584 10.878 457 2HB ASP 60 2HB ASP 60 -3.164 3.347 9.234 458 H HIS 61 H HIS 61 -4.223 6.343 7.914 459 HA HIS 61 HA HIS 61 -6.879 5.614 7.408 460 1HB HIS 61 1HB HIS 61 -4.672 6.950 5.902 461 2HB HIS 61 2HB HIS 61 -6.036 6.348 4.980 462 HD1 HIS 61 1HD HIS 61 -5.656 8.388 8.222 463 HD2 HIS 61 2HD HIS 61 -7.912 8.293 4.687 464 HE1 HIS 61 1HE HIS 61 -7.244 10.382 8.334 465 H VAL 62 H VAL 62 -7.100 3.339 7.622 466 HA VAL 62 HA VAL 62 -5.430 1.619 6.051 467 HB VAL 62 HB VAL 62 -6.844 1.363 8.358 468 1HG1 VAL 62 1HG1 VAL 62 -9.001 1.310 7.180 469 2HG1 VAL 62 2HG1 VAL 62 -8.449 -0.087 6.225 470 3HG1 VAL 62 3HG1 VAL 62 -8.662 -0.240 7.986 471 1HG2 VAL 62 1HG2 VAL 62 -6.565 -1.257 7.620 472 2HG2 VAL 62 2HG2 VAL 62 -5.454 -0.449 6.488 473 3HG2 VAL 62 3HG2 VAL 62 -5.251 -0.229 8.243 474 H PHE 63 H PHE 63 -5.660 1.418 3.889 475 HA PHE 63 HA PHE 63 -8.391 1.664 2.836 476 1HB PHE 63 1HB PHE 63 -6.393 3.344 2.287 477 2HB PHE 63 2HB PHE 63 -5.751 2.026 1.327 478 HD1 PHE 63 1HD PHE 63 -9.308 3.033 1.729 479 HD2 PHE 63 2HD PHE 63 -5.952 2.819 -0.859 480 HE1 PHE 63 1HE PHE 63 -10.751 3.736 -0.201 481 HE2 PHE 63 2HE PHE 63 -7.395 3.522 -2.789 482 HZ PHE 63 HZ PHE 63 -9.778 3.972 -2.436 483 H GLU 64 H GLU 64 -9.239 -0.220 2.100 484 HA GLU 64 HA GLU 64 -7.643 -2.508 1.904 485 1HB GLU 64 1HB GLU 64 -10.482 -1.976 0.923 486 2HB GLU 64 2HB GLU 64 -9.745 -3.564 1.009 487 1HG GLU 64 1HG GLU 64 -9.530 -3.428 3.430 488 2HG GLU 64 2HG GLU 64 -9.959 -1.729 3.436 489 H TYR 65 H TYR 65 -6.738 -3.569 0.123 490 HA TYR 65 HA TYR 65 -6.920 -2.081 -2.409 491 1HB TYR 65 1HB TYR 65 -4.810 -3.615 -0.839 492 2HB TYR 65 2HB TYR 65 -4.680 -3.652 -2.586 493 HD1 TYR 65 1HD TYR 65 -5.791 -0.806 -0.431 494 HD2 TYR 65 2HD TYR 65 -2.756 -2.369 -3.011 495 HE1 TYR 65 1HE TYR 65 -4.594 1.437 -0.394 496 HE2 TYR 65 2HE TYR 65 -1.570 -0.120 -2.965 497 HH TYR 65 HH TYR 65 -1.731 1.985 -2.396 498 H ASP 66 H ASP 66 -5.765 -3.995 -4.096 499 HA ASP 66 HA ASP 66 -7.989 -5.570 -4.626 500 1HB ASP 66 1HB ASP 66 -5.907 -4.743 -6.100 501 2HB ASP 66 2HB ASP 66 -5.240 -6.300 -5.652 502 H GLY 67 H GLY 67 -8.074 -6.556 -2.313 503 1HA GLY 67 1HA GLY 67 -8.009 -8.488 -1.133 504 2HA GLY 67 2HA GLY 67 -7.018 -9.218 -2.380 505 H VAL 68 H VAL 68 -6.282 -6.146 -0.650 506 HA VAL 68 HA VAL 68 -4.378 -7.468 1.060 507 HB VAL 68 HB VAL 68 -3.461 -5.524 -1.068 508 1HG1 VAL 68 1HG1 VAL 68 -1.235 -5.843 -0.200 509 2HG1 VAL 68 2HG1 VAL 68 -2.296 -5.347 1.140 510 3HG1 VAL 68 3HG1 VAL 68 -1.813 -7.052 0.972 511 1HG2 VAL 68 1HG2 VAL 68 -3.880 -7.660 -2.097 512 2HG2 VAL 68 2HG2 VAL 68 -2.121 -7.474 -1.897 513 3HG2 VAL 68 3HG2 VAL 68 -3.038 -8.516 -0.783 514 H LYS 69 H LYS 69 -3.527 -5.986 2.709 515 HA LYS 69 HA LYS 69 -5.403 -3.789 3.117 516 1HB LYS 69 1HB LYS 69 -3.983 -5.699 4.844 517 2HB LYS 69 2HB LYS 69 -3.924 -4.050 5.432 518 1HG LYS 69 1HG LYS 69 -6.465 -3.936 5.041 519 2HG LYS 69 2HG LYS 69 -6.420 -5.661 4.739 520 1HD LYS 69 1HD LYS 69 -5.309 -5.947 7.025 521 2HD LYS 69 2HD LYS 69 -5.598 -4.243 7.315 522 1HE LYS 69 1HE LYS 69 -8.069 -5.411 6.376 523 2HE LYS 69 2HE LYS 69 -7.434 -6.445 7.641 524 1HZ LYS 69 1HZ LYS 69 -8.804 -4.627 8.471 525 2HZ LYS 69 2HZ LYS 69 -7.290 -4.568 9.079 526 3HZ LYS 69 3HZ LYS 69 -7.736 -3.533 7.897 527 H VAL 70 H VAL 70 -4.689 -1.652 3.608 528 HA VAL 70 HA VAL 70 -1.848 -1.137 3.317 529 HB VAL 70 HB VAL 70 -3.961 0.008 1.482 530 1HG1 VAL 70 1HG1 VAL 70 -2.273 1.410 0.525 531 2HG1 VAL 70 2HG1 VAL 70 -2.246 1.674 2.285 532 3HG1 VAL 70 3HG1 VAL 70 -1.000 0.661 1.518 533 1HG2 VAL 70 1HG2 VAL 70 -2.149 -0.946 -0.206 534 2HG2 VAL 70 2HG2 VAL 70 -1.791 -2.030 1.160 535 3HG2 VAL 70 3HG2 VAL 70 -3.430 -1.983 0.467 536 H VAL 71 H VAL 71 -1.243 0.984 4.134 537 HA VAL 71 HA VAL 71 -3.376 2.479 5.422 538 HB VAL 71 HB VAL 71 -2.637 2.245 7.574 539 1HG1 VAL 71 1HG1 VAL 71 -2.015 -0.418 6.256 540 2HG1 VAL 71 2HG1 VAL 71 -2.201 -0.180 8.011 541 3HG1 VAL 71 3HG1 VAL 71 -3.576 0.122 6.921 542 1HG2 VAL 71 1HG2 VAL 71 -0.389 1.377 8.218 543 2HG2 VAL 71 2HG2 VAL 71 0.039 1.305 6.492 544 3HG2 VAL 71 3HG2 VAL 71 -0.323 2.872 7.254 545 H ILE 72 H ILE 72 -2.595 4.641 6.164 546 HA ILE 72 HA ILE 72 -0.023 5.411 5.053 547 HB ILE 72 HB ILE 72 -2.648 6.628 4.193 548 1HG1 ILE 72 1HG1 ILE 72 -1.379 6.056 1.905 549 2HG1 ILE 72 2HG1 ILE 72 -0.664 4.807 2.905 550 1HG2 ILE 72 1HG2 ILE 72 0.194 7.592 3.890 551 2HG2 ILE 72 2HG2 ILE 72 -1.090 8.064 2.752 552 3HG2 ILE 72 3HG2 ILE 72 -1.236 8.475 4.477 553 1HD1 ILE 72 1HD1 ILE 72 -3.580 5.063 3.319 554 2HD1 ILE 72 2HD1 ILE 72 -3.138 4.639 1.648 555 3HD1 ILE 72 3HD1 ILE 72 -2.601 3.611 2.998 556 H ASP 73 H ASP 73 1.011 6.845 6.371 557 HA ASP 73 HA ASP 73 0.002 7.334 8.869 558 1HB ASP 73 1HB ASP 73 2.287 8.297 7.213 559 2HB ASP 73 2HB ASP 73 1.826 9.386 8.507 560 HA PRO 74 HA PRO 74 -2.263 11.058 8.362 561 1HB PRO 74 1HB PRO 74 -1.660 12.550 10.571 562 2HB PRO 74 2HB PRO 74 -2.786 11.207 10.599 563 1HG PRO 74 1HG PRO 74 -0.017 11.325 11.627 564 2HG PRO 74 2HG PRO 74 -1.282 10.176 12.011 565 1HD PRO 74 1HD PRO 74 0.963 9.742 10.279 566 2HD PRO 74 2HD PRO 74 -0.364 8.635 10.573 567 H PHE 75 H PHE 75 1.137 11.364 8.644 568 HA PHE 75 HA PHE 75 1.061 14.103 7.729 569 1HB PHE 75 1HB PHE 75 2.939 12.099 8.883 570 2HB PHE 75 2HB PHE 75 3.687 13.023 7.595 571 HD1 PHE 75 1HD PHE 75 4.656 15.066 8.093 572 HD2 PHE 75 2HD PHE 75 1.693 13.520 10.708 573 HE1 PHE 75 1HE PHE 75 5.085 16.952 9.694 574 HE2 PHE 75 2HE PHE 75 2.122 15.406 12.309 575 HZ PHE 75 HZ PHE 75 3.813 17.099 11.782 576 H SER 76 H SER 76 1.547 10.811 6.466 577 HA SER 76 HA SER 76 2.544 11.860 3.983 578 1HB SER 76 1HB SER 76 2.749 9.481 3.330 579 2HB SER 76 2HB SER 76 3.515 9.780 4.878 580 HG SER 76 HG SER 76 0.859 9.112 5.235 581 H MET 77 H MET 77 -0.473 11.078 5.506 582 HA MET 77 HA MET 77 -1.943 10.104 3.414 583 1HB MET 77 1HB MET 77 -2.363 11.189 6.055 584 2HB MET 77 2HB MET 77 -3.500 12.001 4.997 585 1HG MET 77 1HG MET 77 -3.337 9.084 4.491 586 2HG MET 77 2HG MET 77 -3.855 9.467 6.121 587 1HE MET 77 1HE MET 77 -6.054 10.297 2.204 588 2HE MET 77 2HE MET 77 -4.394 10.899 2.430 589 3HE MET 77 3HE MET 77 -4.726 9.152 2.511 590 HA PRO 78 HA PRO 78 -2.775 14.625 2.222 591 1HB PRO 78 1HB PRO 78 -1.236 16.614 3.293 592 2HB PRO 78 2HB PRO 78 -2.808 16.171 3.929 593 1HG PRO 78 1HG PRO 78 -0.129 15.575 5.028 594 2HG PRO 78 2HG PRO 78 -1.683 15.524 5.836 595 1HD PRO 78 1HD PRO 78 -0.160 13.281 4.899 596 2HD PRO 78 2HD PRO 78 -1.765 13.238 5.602 597 H TYR 79 H TYR 79 -0.043 12.906 2.176 598 HA TYR 79 HA TYR 79 1.190 14.633 0.151 599 1HB TYR 79 1HB TYR 79 2.075 13.056 2.376 600 2HB TYR 79 2HB TYR 79 2.522 12.107 0.971 601 HD1 TYR 79 1HD TYR 79 3.414 14.861 3.075 602 HD2 TYR 79 2HD TYR 79 3.918 13.278 -0.867 603 HE1 TYR 79 1HE TYR 79 5.485 16.301 2.754 604 HE2 TYR 79 2HE TYR 79 5.987 14.723 -1.175 605 HH TYR 79 HH TYR 79 7.736 15.761 0.593 606 H VAL 80 H VAL 80 -1.148 12.328 0.247 607 HA VAL 80 HA VAL 80 -0.522 11.475 -2.438 608 HB VAL 80 HB VAL 80 -0.840 9.094 -1.908 609 1HG1 VAL 80 1HG1 VAL 80 1.477 10.396 -0.438 610 2HG1 VAL 80 2HG1 VAL 80 1.395 8.695 -0.957 611 3HG1 VAL 80 3HG1 VAL 80 1.422 9.996 -2.171 612 1HG2 VAL 80 1HG2 VAL 80 -0.172 9.215 0.914 613 2HG2 VAL 80 2HG2 VAL 80 -1.714 10.041 0.584 614 3HG2 VAL 80 3HG2 VAL 80 -1.490 8.345 0.093 615 H ASN 81 H ASN 81 -2.442 13.283 -1.176 616 HA ASN 81 HA ASN 81 -4.852 12.069 -0.678 617 1HB ASN 81 1HB ASN 81 -4.498 14.437 -0.173 618 2HB ASN 81 2HB ASN 81 -4.158 14.806 -1.852 619 1HD2 ASN 81 1HD2 ASN 81 -6.346 15.262 0.412 620 2HD2 ASN 81 2HD2 ASN 81 -7.831 15.259 -0.479 621 H GLY 82 H GLY 82 -5.734 10.580 -2.153 622 1HA GLY 82 1HA GLY 82 -6.563 9.733 -4.061 623 2HA GLY 82 2HA GLY 82 -6.895 11.386 -4.538 624 H ALA 83 H ALA 83 -3.544 10.724 -3.815 625 HA ALA 83 HA ALA 83 -2.831 11.228 -6.533 626 1HB ALA 83 1HB ALA 83 -0.841 11.784 -5.610 627 2HB ALA 83 2HB ALA 83 -1.679 11.620 -4.048 628 3HB ALA 83 3HB ALA 83 -0.736 10.258 -4.699 629 H GLU 84 H GLU 84 -0.960 9.709 -7.461 630 HA GLU 84 HA GLU 84 -1.871 6.965 -7.074 631 1HB GLU 84 1HB GLU 84 -2.738 7.851 -9.213 632 2HB GLU 84 2HB GLU 84 -1.123 8.322 -9.702 633 1HG GLU 84 1HG GLU 84 -0.669 6.232 -10.457 634 2HG GLU 84 2HG GLU 84 -1.093 5.525 -8.911 635 H LEU 85 H LEU 85 -0.258 5.427 -6.794 636 HA LEU 85 HA LEU 85 2.489 6.422 -7.111 637 1HB LEU 85 1HB LEU 85 2.805 6.025 -4.974 638 2HB LEU 85 2HB LEU 85 1.142 5.502 -4.799 639 HG LEU 85 HG LEU 85 1.825 3.192 -5.428 640 1HD1 LEU 85 1HD1 LEU 85 4.642 3.421 -4.912 641 2HD1 LEU 85 2HD1 LEU 85 3.801 2.735 -6.323 642 3HD1 LEU 85 3HD1 LEU 85 4.196 4.470 -6.279 643 1HD2 LEU 85 1HD2 LEU 85 3.600 3.858 -3.140 644 2HD2 LEU 85 2HD2 LEU 85 1.897 4.359 -3.015 645 3HD2 LEU 85 3HD2 LEU 85 2.303 2.647 -3.283 646 H ASP 86 H ASP 86 3.331 5.546 -8.929 647 HA ASP 86 HA ASP 86 2.419 2.904 -9.660 648 1HB ASP 86 1HB ASP 86 2.747 5.071 -11.206 649 2HB ASP 86 2HB ASP 86 4.408 4.517 -11.267 650 H TYR 87 H TYR 87 3.635 1.351 -8.516 651 HA TYR 87 HA TYR 87 6.429 1.846 -7.977 652 1HB TYR 87 1HB TYR 87 4.304 0.536 -6.750 653 2HB TYR 87 2HB TYR 87 5.046 -0.816 -7.582 654 HD1 TYR 87 1HD TYR 87 6.698 -2.021 -6.478 655 HD2 TYR 87 2HD TYR 87 6.019 2.054 -5.365 656 HE1 TYR 87 1HE TYR 87 8.388 -2.246 -4.592 657 HE2 TYR 87 2HE TYR 87 7.711 1.815 -3.483 658 HH TYR 87 HH TYR 87 9.049 -1.297 -2.648 659 H VAL 88 H VAL 88 8.091 1.218 -9.258 660 HA VAL 88 HA VAL 88 7.481 -0.396 -11.570 661 HB VAL 88 HB VAL 88 9.858 1.163 -10.584 662 1HG1 VAL 88 1HG1 VAL 88 11.090 0.504 -12.599 663 2HG1 VAL 88 2HG1 VAL 88 10.734 -0.910 -11.577 664 3HG1 VAL 88 3HG1 VAL 88 9.777 -0.611 -13.048 665 1HG2 VAL 88 1HG2 VAL 88 7.814 2.206 -11.762 666 2HG2 VAL 88 2HG2 VAL 88 9.432 2.610 -12.384 667 3HG2 VAL 88 3HG2 VAL 88 8.426 1.412 -13.233 668 H VAL 89 H VAL 89 8.802 -2.320 -12.140 669 HA VAL 89 HA VAL 89 9.766 -3.706 -9.738 670 HB VAL 89 HB VAL 89 8.164 -4.931 -11.990 671 1HG1 VAL 89 1HG1 VAL 89 9.470 -5.994 -9.507 672 2HG1 VAL 89 2HG1 VAL 89 7.955 -6.737 -10.074 673 3HG1 VAL 89 3HG1 VAL 89 9.380 -6.696 -11.141 674 1HG2 VAL 89 1HG2 VAL 89 7.123 -4.581 -9.187 675 2HG2 VAL 89 2HG2 VAL 89 6.977 -3.259 -10.371 676 3HG2 VAL 89 3HG2 VAL 89 6.230 -4.839 -10.705 677 H ASP 90 H ASP 90 11.873 -4.244 -9.933 678 HA ASP 90 HA ASP 90 12.819 -5.334 -12.359 679 1HB ASP 90 1HB ASP 90 13.873 -2.614 -11.449 680 2HB ASP 90 2HB ASP 90 14.659 -3.615 -12.654 681 H PHE 91 H PHE 91 15.485 -5.448 -12.034 682 HA PHE 91 HA PHE 91 16.923 -6.677 -10.826 683 1HB PHE 91 1HB PHE 91 16.969 -4.015 -10.295 684 2HB PHE 91 2HB PHE 91 16.509 -4.545 -8.689 685 HD1 PHE 91 1HD PHE 91 18.324 -4.398 -7.282 686 HD2 PHE 91 2HD PHE 91 18.917 -5.912 -11.201 687 HE1 PHE 91 1HE PHE 91 20.733 -4.853 -6.742 688 HE2 PHE 91 2HE PHE 91 21.326 -6.367 -10.661 689 HZ PHE 91 HZ PHE 91 22.205 -5.833 -8.438 690 H MET 92 H MET 92 17.047 -6.132 -7.731 691 HA MET 92 HA MET 92 15.385 -8.404 -7.124 692 1HB MET 92 1HB MET 92 17.846 -7.157 -6.109 693 2HB MET 92 2HB MET 92 16.732 -7.440 -4.786 694 1HG MET 92 1HG MET 92 16.459 -9.843 -5.695 695 2HG MET 92 2HG MET 92 17.807 -9.503 -6.761 696 1HE MET 92 1HE MET 92 17.186 -10.403 -2.662 697 2HE MET 92 2HE MET 92 16.733 -11.164 -4.206 698 3HE MET 92 3HE MET 92 18.217 -11.673 -3.364 699 H GLY 93 H GLY 93 14.161 -5.729 -7.710 700 1HA GLY 93 1HA GLY 93 12.245 -5.688 -5.643 701 2HA GLY 93 2HA GLY 93 13.386 -4.383 -5.390 702 H GLY 94 H GLY 94 13.329 -2.539 -6.697 703 1HA GLY 94 1HA GLY 94 12.397 -2.301 -9.262 704 2HA GLY 94 2HA GLY 94 10.963 -2.163 -8.265 705 H GLY 95 H GLY 95 10.556 0.051 -8.584 706 1HA GLY 95 1HA GLY 95 12.501 1.846 -7.288 707 2HA GLY 95 2HA GLY 95 11.900 2.214 -8.893 708 H PHE 96 H PHE 96 11.293 4.196 -7.329 709 HA PHE 96 HA PHE 96 8.532 3.685 -6.472 710 1HB PHE 96 1HB PHE 96 10.269 5.889 -5.311 711 2HB PHE 96 2HB PHE 96 8.973 5.006 -4.529 712 HD1 PHE 96 1HD PHE 96 9.394 2.894 -3.429 713 HD2 PHE 96 2HD PHE 96 12.525 4.943 -5.431 714 HE1 PHE 96 1HE PHE 96 11.081 1.421 -2.297 715 HE2 PHE 96 2HE PHE 96 14.212 3.470 -4.299 716 HZ PHE 96 HZ PHE 96 13.470 1.726 -2.746 717 H THR 97 H THR 97 7.166 4.698 -7.862 718 HA THR 97 HA THR 97 7.909 7.411 -8.713 719 HB THR 97 HB THR 97 7.108 4.996 -10.376 720 HG1 THR 97 1HG THR 97 8.920 7.299 -10.578 721 1HG2 THR 97 1HG2 THR 97 5.506 6.842 -10.989 722 2HG2 THR 97 2HG2 THR 97 6.890 7.941 -11.196 723 3HG2 THR 97 3HG2 THR 97 6.697 6.540 -12.277 724 H ILE 98 H ILE 98 6.312 8.922 -8.620 725 HA ILE 98 HA ILE 98 3.608 7.926 -8.124 726 HB ILE 98 HB ILE 98 4.948 8.485 -5.998 727 1HG1 ILE 98 1HG1 ILE 98 2.212 9.639 -6.597 728 2HG1 ILE 98 2HG1 ILE 98 2.580 8.050 -5.956 729 1HG2 ILE 98 1HG2 ILE 98 5.752 10.692 -7.096 730 2HG2 ILE 98 2HG2 ILE 98 4.162 11.324 -6.605 731 3HG2 ILE 98 3HG2 ILE 98 5.287 10.694 -5.378 732 1HD1 ILE 98 1HD1 ILE 98 3.653 9.176 -3.947 733 2HD1 ILE 98 2HD1 ILE 98 3.056 10.729 -4.578 734 3HD1 ILE 98 3HD1 ILE 98 1.903 9.461 -4.100 735 H ARG 99 H ARG 99 2.003 9.123 -9.117 736 HA ARG 99 HA ARG 99 2.967 11.511 -10.476 737 1HB ARG 99 1HB ARG 99 1.261 9.215 -11.481 738 2HB ARG 99 2HB ARG 99 1.028 10.807 -12.175 739 1HG ARG 99 1HG ARG 99 3.701 10.755 -12.375 740 2HG ARG 99 2HG ARG 99 3.461 9.021 -12.296 741 1HD ARG 99 1HD ARG 99 2.527 8.923 -14.395 742 2HD ARG 99 2HD ARG 99 1.591 10.385 -14.158 743 HE ARG 99 HE ARG 99 4.067 10.228 -15.548 744 1HH1 ARG 99 2HH2 ARG 99 2.523 12.244 -13.112 745 2HH1 ARG 99 1HH2 ARG 99 3.409 13.668 -13.545 746 1HH2 ARG 99 2HH1 ARG 99 5.236 12.106 -16.120 747 2HH2 ARG 99 1HH1 ARG 99 4.963 13.589 -15.268 748 H ASN 100 H ASN 100 1.570 13.336 -10.428 749 HA ASN 100 HA ASN 100 -0.901 12.897 -8.942 750 1HB ASN 100 1HB ASN 100 0.617 14.126 -7.490 751 2HB ASN 100 2HB ASN 100 1.119 15.185 -8.793 752 1HD2 ASN 100 1HD2 ASN 100 0.411 17.143 -8.471 753 2HD2 ASN 100 2HD2 ASN 100 -1.165 17.620 -7.933 754 HA PRO 101 HA PRO 101 -2.441 14.804 -12.625 755 1HB PRO 101 1HB PRO 101 -5.108 14.619 -12.057 756 2HB PRO 101 2HB PRO 101 -4.189 13.313 -12.779 757 1HG PRO 101 1HG PRO 101 -5.160 13.581 -10.000 758 2HG PRO 101 2HG PRO 101 -4.628 12.139 -10.843 759 1HD PRO 101 1HD PRO 101 -3.147 13.630 -8.891 760 2HD PRO 101 2HD PRO 101 -2.574 12.259 -9.819 Start of MODEL 2 1 H MET 1 H MET 1 -17.585 2.723 23.822 2 HA MET 1 HA MET 1 -16.540 1.656 21.453 3 1HB MET 1 1HB MET 1 -19.239 2.186 22.681 4 2HB MET 1 2HB MET 1 -19.227 1.987 20.939 5 1HG MET 1 1HG MET 1 -18.037 -0.203 21.195 6 2HG MET 1 2HG MET 1 -18.045 -0.005 22.937 7 1HE MET 1 1HE MET 1 -20.441 -2.505 23.310 8 2HE MET 1 2HE MET 1 -20.021 -2.786 21.604 9 3HE MET 1 3HE MET 1 -18.774 -2.233 22.748 10 H GLN 2 H GLN 2 -15.969 2.667 19.575 11 HA GLN 2 HA GLN 2 -17.488 4.799 18.569 12 1HB GLN 2 1HB GLN 2 -15.055 5.446 20.158 13 2HB GLN 2 2HB GLN 2 -15.132 6.227 18.591 14 1HG GLN 2 1HG GLN 2 -16.580 7.742 19.450 15 2HG GLN 2 2HG GLN 2 -17.754 6.460 19.671 16 1HE2 GLN 2 1HE2 GLN 2 -18.281 8.037 21.445 17 2HE2 GLN 2 2HE2 GLN 2 -17.554 7.781 22.996 18 H GLU 3 H GLU 3 -16.003 5.870 16.618 19 HA GLU 3 HA GLU 3 -14.313 3.806 15.523 20 1HB GLU 3 1HB GLU 3 -17.040 4.438 14.544 21 2HB GLU 3 2HB GLU 3 -15.817 4.467 13.289 22 1HG GLU 3 1HG GLU 3 -15.075 2.186 13.907 23 2HG GLU 3 2HG GLU 3 -16.202 2.156 15.250 24 H GLN 4 H GLN 4 -12.837 4.605 13.897 25 HA GLN 4 HA GLN 4 -12.931 7.507 13.625 26 1HB GLN 4 1HB GLN 4 -11.085 6.259 15.169 27 2HB GLN 4 2HB GLN 4 -10.265 6.132 13.626 28 1HG GLN 4 1HG GLN 4 -11.439 8.815 14.163 29 2HG GLN 4 2HG GLN 4 -10.177 8.348 15.286 30 1HE2 GLN 4 1HE2 GLN 4 -10.561 10.174 12.790 31 2HE2 GLN 4 2HE2 GLN 4 -9.113 9.936 11.870 32 H ALA 5 H ALA 5 -12.765 8.272 11.537 33 HA ALA 5 HA ALA 5 -13.039 6.554 9.394 34 1HB ALA 5 1HB ALA 5 -11.793 9.054 8.619 35 2HB ALA 5 2HB ALA 5 -13.477 8.520 8.399 36 3HB ALA 5 3HB ALA 5 -12.993 9.340 9.902 37 H GLN 6 H GLN 6 -11.644 5.230 8.344 38 HA GLN 6 HA GLN 6 -8.835 5.976 8.438 39 1HB GLN 6 1HB GLN 6 -8.140 3.741 8.980 40 2HB GLN 6 2HB GLN 6 -9.375 4.175 10.146 41 1HG GLN 6 1HG GLN 6 -10.658 3.005 7.819 42 2HG GLN 6 2HG GLN 6 -9.362 1.946 8.339 43 1HE2 GLN 6 1HE2 GLN 6 -12.314 1.732 8.472 44 2HE2 GLN 6 2HE2 GLN 6 -12.713 1.400 10.124 45 H GLN 7 H GLN 7 -10.599 6.583 6.328 46 HA GLN 7 HA GLN 7 -9.701 4.644 4.342 47 1HB GLN 7 1HB GLN 7 -11.770 5.086 3.060 48 2HB GLN 7 2HB GLN 7 -12.138 4.449 4.650 49 1HG GLN 7 1HG GLN 7 -12.296 6.979 5.375 50 2HG GLN 7 2HG GLN 7 -12.416 7.305 3.657 51 1HE2 GLN 7 1HE2 GLN 7 -14.063 6.130 2.430 52 2HE2 GLN 7 2HE2 GLN 7 -15.589 5.777 3.170 53 H PHE 8 H PHE 8 -8.012 5.632 3.301 54 HA PHE 8 HA PHE 8 -8.173 8.508 2.884 55 1HB PHE 8 1HB PHE 8 -5.755 8.180 2.314 56 2HB PHE 8 2HB PHE 8 -6.114 7.409 3.846 57 HD1 PHE 8 1HD PHE 8 -5.387 5.243 4.179 58 HD2 PHE 8 2HD PHE 8 -6.010 6.591 0.203 59 HE1 PHE 8 1HE PHE 8 -4.478 3.075 3.301 60 HE2 PHE 8 2HE PHE 8 -5.101 4.422 -0.674 61 HZ PHE 8 HZ PHE 8 -4.346 2.690 0.885 62 H ILE 9 H ILE 9 -8.151 9.486 0.833 63 HA ILE 9 HA ILE 9 -9.042 7.744 -1.298 64 HB ILE 9 HB ILE 9 -8.981 10.703 -0.826 65 1HG1 ILE 9 1HG1 ILE 9 -10.825 9.005 -0.065 66 2HG1 ILE 9 2HG1 ILE 9 -11.268 10.564 -0.730 67 1HG2 ILE 9 1HG2 ILE 9 -8.234 10.600 -3.074 68 2HG2 ILE 9 2HG2 ILE 9 -9.382 9.300 -3.474 69 3HG2 ILE 9 3HG2 ILE 9 -9.980 10.942 -3.132 70 1HD1 ILE 9 1HD1 ILE 9 -11.123 7.951 -2.304 71 2HD1 ILE 9 2HD1 ILE 9 -12.612 8.757 -1.757 72 3HD1 ILE 9 3HD1 ILE 9 -11.576 9.535 -2.977 73 H PHE 10 H PHE 10 -7.525 6.688 -2.463 74 HA PHE 10 HA PHE 10 -5.487 8.230 -3.739 75 1HB PHE 10 1HB PHE 10 -4.307 7.811 -1.647 76 2HB PHE 10 2HB PHE 10 -4.976 6.198 -1.508 77 HD1 PHE 10 1HD PHE 10 -3.552 4.446 -1.940 78 HD2 PHE 10 2HD PHE 10 -2.868 8.142 -3.909 79 HE1 PHE 10 1HE PHE 10 -1.486 3.497 -3.005 80 HE2 PHE 10 2HE PHE 10 -0.802 7.193 -4.973 81 HZ PHE 10 HZ PHE 10 -0.136 4.882 -4.508 82 H LYS 11 H LYS 11 -4.465 7.057 -5.492 83 HA LYS 11 HA LYS 11 -5.686 4.438 -5.999 84 1HB LYS 11 1HB LYS 11 -5.343 6.674 -8.020 85 2HB LYS 11 2HB LYS 11 -5.925 5.058 -8.368 86 1HG LYS 11 1HG LYS 11 -7.289 6.726 -6.231 87 2HG LYS 11 2HG LYS 11 -7.661 7.002 -7.922 88 1HD LYS 11 1HD LYS 11 -8.841 5.046 -8.118 89 2HD LYS 11 2HD LYS 11 -7.674 4.131 -7.185 90 1HE LYS 11 1HE LYS 11 -8.832 4.409 -5.226 91 2HE LYS 11 2HE LYS 11 -9.156 6.102 -5.545 92 1HZ LYS 11 1HZ LYS 11 -11.185 5.494 -6.085 93 2HZ LYS 11 2HZ LYS 11 -10.616 4.675 -7.377 94 3HZ LYS 11 3HZ LYS 11 -10.834 3.905 -5.953 95 H VAL 12 H VAL 12 -4.239 2.858 -6.475 96 HA VAL 12 HA VAL 12 -1.555 3.751 -7.269 97 HB VAL 12 HB VAL 12 -2.039 2.862 -4.832 98 1HG1 VAL 12 1HG1 VAL 12 -1.976 0.549 -4.508 99 2HG1 VAL 12 2HG1 VAL 12 -3.074 0.734 -5.896 100 3HG1 VAL 12 3HG1 VAL 12 -1.386 0.233 -6.158 101 1HG2 VAL 12 1HG2 VAL 12 0.257 2.220 -4.655 102 2HG2 VAL 12 2HG2 VAL 12 0.336 1.787 -6.380 103 3HG2 VAL 12 3HG2 VAL 12 0.163 3.491 -5.897 104 H THR 13 H THR 13 -0.545 2.552 -8.900 105 HA THR 13 HA THR 13 -2.262 1.175 -10.658 106 HB THR 13 HB THR 13 -0.226 0.952 -11.983 107 HG1 THR 13 1HG THR 13 1.083 1.660 -9.454 108 1HG2 THR 13 1HG2 THR 13 0.773 3.327 -10.528 109 2HG2 THR 13 2HG2 THR 13 0.213 3.194 -12.212 110 3HG2 THR 13 3HG2 THR 13 -0.964 3.436 -10.899 111 H ASP 14 H ASP 14 -2.147 -1.048 -11.395 112 HA ASP 14 HA ASP 14 -2.367 -2.796 -9.280 113 1HB ASP 14 1HB ASP 14 -2.173 -3.029 -12.274 114 2HB ASP 14 2HB ASP 14 -1.947 -4.502 -11.352 115 H LYS 15 H LYS 15 0.386 -1.639 -11.138 116 HA LYS 15 HA LYS 15 2.095 -3.846 -10.825 117 1HB LYS 15 1HB LYS 15 2.170 -1.562 -12.266 118 2HB LYS 15 2HB LYS 15 3.243 -1.105 -10.958 119 1HG LYS 15 1HG LYS 15 3.518 -3.662 -12.608 120 2HG LYS 15 2HG LYS 15 4.441 -2.198 -12.885 121 1HD LYS 15 1HD LYS 15 5.941 -2.834 -11.312 122 2HD LYS 15 2HD LYS 15 4.685 -2.809 -10.091 123 1HE LYS 15 1HE LYS 15 4.272 -5.110 -10.257 124 2HE LYS 15 2HE LYS 15 4.781 -5.194 -11.932 125 1HZ LYS 15 1HZ LYS 15 6.760 -4.502 -9.922 126 2HZ LYS 15 2HZ LYS 15 6.296 -6.062 -10.050 127 3HZ LYS 15 3HZ LYS 15 6.955 -5.298 -11.334 128 H ALA 16 H ALA 16 1.320 -0.992 -8.789 129 HA ALA 16 HA ALA 16 3.377 -1.530 -6.906 130 1HB ALA 16 1HB ALA 16 1.403 0.483 -7.450 131 2HB ALA 16 2HB ALA 16 1.231 -0.029 -5.753 132 3HB ALA 16 3HB ALA 16 2.799 0.566 -6.350 133 H VAL 17 H VAL 17 -0.209 -2.088 -6.998 134 HA VAL 17 HA VAL 17 -0.325 -3.356 -4.512 135 HB VAL 17 HB VAL 17 -2.035 -2.872 -6.829 136 1HG1 VAL 17 1HG1 VAL 17 -2.284 -5.217 -7.046 137 2HG1 VAL 17 2HG1 VAL 17 -2.329 -5.458 -5.283 138 3HG1 VAL 17 3HG1 VAL 17 -3.696 -4.673 -6.108 139 1HG2 VAL 17 1HG2 VAL 17 -2.610 -3.164 -3.860 140 2HG2 VAL 17 2HG2 VAL 17 -2.197 -1.650 -4.701 141 3HG2 VAL 17 3HG2 VAL 17 -3.716 -2.495 -5.083 142 H GLU 18 H GLU 18 -0.289 -4.775 -7.863 143 HA GLU 18 HA GLU 18 -0.157 -7.380 -7.052 144 1HB GLU 18 1HB GLU 18 0.396 -7.892 -9.301 145 2HB GLU 18 2HB GLU 18 -0.501 -6.391 -9.411 146 1HG GLU 18 1HG GLU 18 1.289 -5.696 -10.666 147 2HG GLU 18 2HG GLU 18 2.024 -5.384 -9.106 148 H GLU 19 H GLU 19 2.285 -4.865 -6.947 149 HA GLU 19 HA GLU 19 4.489 -6.638 -6.931 150 1HB GLU 19 1HB GLU 19 5.057 -4.475 -7.633 151 2HB GLU 19 2HB GLU 19 4.061 -3.698 -6.418 152 1HG GLU 19 1HG GLU 19 6.456 -3.440 -5.862 153 2HG GLU 19 2HG GLU 19 5.643 -4.392 -4.635 154 H ILE 20 H ILE 20 2.072 -5.709 -4.634 155 HA ILE 20 HA ILE 20 3.728 -6.067 -2.318 156 HB ILE 20 HB ILE 20 0.721 -5.915 -2.538 157 1HG1 ILE 20 1HG1 ILE 20 1.299 -3.910 -3.502 158 2HG1 ILE 20 2HG1 ILE 20 1.251 -3.463 -1.808 159 1HG2 ILE 20 1HG2 ILE 20 0.854 -5.143 -0.203 160 2HG2 ILE 20 2HG2 ILE 20 1.477 -6.797 -0.407 161 3HG2 ILE 20 3HG2 ILE 20 2.610 -5.437 -0.216 162 1HD1 ILE 20 1HD1 ILE 20 3.658 -3.909 -3.584 163 2HD1 ILE 20 2HD1 ILE 20 3.305 -2.551 -2.489 164 3HD1 ILE 20 3HD1 ILE 20 3.813 -4.122 -1.824 165 H LYS 21 H LYS 21 0.996 -7.888 -3.877 166 HA LYS 21 HA LYS 21 1.139 -10.080 -2.184 167 1HB LYS 21 1HB LYS 21 -0.118 -11.246 -3.958 168 2HB LYS 21 2HB LYS 21 -0.777 -9.664 -3.592 169 1HG LYS 21 1HG LYS 21 0.812 -8.849 -5.561 170 2HG LYS 21 2HG LYS 21 0.799 -10.538 -6.027 171 1HD LYS 21 1HD LYS 21 -0.994 -9.234 -7.181 172 2HD LYS 21 2HD LYS 21 -1.651 -10.534 -6.207 173 1HE LYS 21 1HE LYS 21 -1.341 -7.994 -4.706 174 2HE LYS 21 2HE LYS 21 -2.432 -7.860 -6.071 175 1HZ LYS 21 1HZ LYS 21 -3.034 -10.234 -4.844 176 2HZ LYS 21 2HZ LYS 21 -2.846 -9.162 -3.627 177 3HZ LYS 21 3HZ LYS 21 -3.920 -8.862 -4.820 178 H LYS 22 H LYS 22 3.286 -8.984 -4.714 179 HA LYS 22 HA LYS 22 4.381 -11.530 -5.325 180 1HB LYS 22 1HB LYS 22 4.581 -8.871 -6.290 181 2HB LYS 22 2HB LYS 22 6.201 -9.353 -5.831 182 1HG LYS 22 1HG LYS 22 5.277 -11.646 -7.098 183 2HG LYS 22 2HG LYS 22 4.468 -10.389 -8.013 184 1HD LYS 22 1HD LYS 22 6.411 -9.676 -8.984 185 2HD LYS 22 2HD LYS 22 7.298 -9.735 -7.474 186 1HE LYS 22 1HE LYS 22 7.963 -11.956 -7.778 187 2HE LYS 22 2HE LYS 22 6.544 -12.370 -8.720 188 1HZ LYS 22 1HZ LYS 22 7.490 -10.892 -10.471 189 2HZ LYS 22 2HZ LYS 22 8.877 -10.836 -9.611 190 3HZ LYS 22 3HZ LYS 22 8.334 -12.262 -10.193 191 H VAL 23 H VAL 23 5.397 -8.770 -3.205 192 HA VAL 23 HA VAL 23 7.666 -10.159 -2.235 193 HB VAL 23 HB VAL 23 6.236 -7.618 -1.736 194 1HG1 VAL 23 1HG1 VAL 23 7.769 -7.266 0.322 195 2HG1 VAL 23 2HG1 VAL 23 6.260 -8.186 0.534 196 3HG1 VAL 23 3HG1 VAL 23 7.815 -9.043 0.406 197 1HG2 VAL 23 1HG2 VAL 23 8.498 -8.329 -3.073 198 2HG2 VAL 23 2HG2 VAL 23 8.172 -6.693 -2.451 199 3HG2 VAL 23 3HG2 VAL 23 9.182 -7.818 -1.511 200 H ALA 24 H ALA 24 4.230 -10.180 -1.504 201 HA ALA 24 HA ALA 24 4.530 -11.175 1.154 202 1HB ALA 24 1HB ALA 24 2.078 -11.474 -0.593 203 2HB ALA 24 2HB ALA 24 2.178 -11.217 1.166 204 3HB ALA 24 3HB ALA 24 2.555 -9.883 0.049 205 H GLN 25 H GLN 25 3.670 -12.604 -2.071 206 HA GLN 25 HA GLN 25 3.423 -15.187 -1.122 207 1HB GLN 25 1HB GLN 25 3.273 -15.824 -3.388 208 2HB GLN 25 2HB GLN 25 2.738 -14.155 -3.408 209 1HG GLN 25 1HG GLN 25 4.325 -13.788 -4.993 210 2HG GLN 25 2HG GLN 25 5.510 -13.913 -3.708 211 1HE2 GLN 25 1HE2 GLN 25 6.848 -15.610 -3.590 212 2HE2 GLN 25 2HE2 GLN 25 6.885 -16.942 -4.697 213 H GLU 26 H GLU 26 6.207 -13.183 -1.452 214 HA GLU 26 HA GLU 26 7.979 -15.421 -1.832 215 1HB GLU 26 1HB GLU 26 8.119 -12.518 -2.158 216 2HB GLU 26 2HB GLU 26 9.493 -13.103 -1.240 217 1HG GLU 26 1HG GLU 26 9.309 -15.007 -3.259 218 2HG GLU 26 2HG GLU 26 8.797 -13.553 -4.093 219 H ASN 27 H ASN 27 6.214 -14.283 0.710 220 HA ASN 27 HA ASN 27 8.264 -15.161 2.568 221 1HB ASN 27 1HB ASN 27 6.713 -12.572 2.593 222 2HB ASN 27 2HB ASN 27 6.969 -13.353 4.140 223 1HD2 ASN 27 1HD2 ASN 27 8.226 -11.293 1.846 224 2HD2 ASN 27 2HD2 ASN 27 9.882 -11.228 2.348 225 H ASN 28 H ASN 28 5.590 -16.069 1.144 226 HA ASN 28 HA ASN 28 3.787 -17.185 1.603 227 1HB ASN 28 1HB ASN 28 5.575 -18.499 2.970 228 2HB ASN 28 2HB ASN 28 4.913 -17.720 4.394 229 1HD2 ASN 28 1HD2 ASN 28 4.103 -19.507 5.349 230 2HD2 ASN 28 2HD2 ASN 28 2.775 -20.440 4.744 231 H ILE 29 H ILE 29 3.551 -14.401 2.075 232 HA ILE 29 HA ILE 29 2.141 -14.180 4.626 233 HB ILE 29 HB ILE 29 3.137 -12.095 2.681 234 1HG1 ILE 29 1HG1 ILE 29 4.113 -12.873 5.446 235 2HG1 ILE 29 2HG1 ILE 29 4.910 -13.263 3.935 236 1HG2 ILE 29 1HG2 ILE 29 2.559 -10.527 4.610 237 2HG2 ILE 29 2HG2 ILE 29 1.209 -11.148 3.630 238 3HG2 ILE 29 3HG2 ILE 29 1.542 -11.849 5.232 239 1HD1 ILE 29 1HD1 ILE 29 6.047 -11.315 4.569 240 2HD1 ILE 29 2HD1 ILE 29 4.785 -10.647 3.506 241 3HD1 ILE 29 3HD1 ILE 29 4.591 -10.573 5.274 242 H GLU 30 H GLU 30 -0.054 -13.673 4.753 243 HA GLU 30 HA GLU 30 -1.410 -13.705 2.169 244 1HB GLU 30 1HB GLU 30 -1.646 -15.544 4.336 245 2HB GLU 30 2HB GLU 30 -3.124 -14.603 4.338 246 1HG GLU 30 1HG GLU 30 -3.594 -15.165 2.021 247 2HG GLU 30 2HG GLU 30 -1.996 -15.849 1.795 248 H ASN 31 H ASN 31 -0.452 -11.670 4.505 249 HA ASN 31 HA ASN 31 -2.751 -9.999 4.094 250 1HB ASN 31 1HB ASN 31 -3.199 -11.208 6.269 251 2HB ASN 31 2HB ASN 31 -1.678 -10.609 6.900 252 1HD2 ASN 31 1HD2 ASN 31 -4.614 -10.208 7.546 253 2HD2 ASN 31 2HD2 ASN 31 -4.824 -8.495 7.685 254 HA PRO 32 HA PRO 32 1.419 -8.044 4.135 255 1HB PRO 32 1HB PRO 32 1.491 -7.173 1.546 256 2HB PRO 32 2HB PRO 32 2.208 -8.684 2.069 257 1HG PRO 32 1HG PRO 32 -0.294 -8.244 0.557 258 2HG PRO 32 2HG PRO 32 0.647 -9.713 0.719 259 1HD PRO 32 1HD PRO 32 -1.810 -9.092 2.063 260 2HD PRO 32 2HD PRO 32 -0.809 -10.509 2.311 261 H ILE 33 H ILE 33 1.258 -6.306 5.404 262 HA ILE 33 HA ILE 33 -0.745 -4.356 4.597 263 HB ILE 33 HB ILE 33 0.829 -4.868 7.104 264 1HG1 ILE 33 1HG1 ILE 33 -2.145 -4.492 6.879 265 2HG1 ILE 33 2HG1 ILE 33 -1.423 -6.014 6.396 266 1HG2 ILE 33 1HG2 ILE 33 0.935 -2.471 6.790 267 2HG2 ILE 33 2HG2 ILE 33 -0.813 -2.402 6.466 268 3HG2 ILE 33 3HG2 ILE 33 -0.225 -2.858 8.083 269 1HD1 ILE 33 1HD1 ILE 33 -2.149 -5.969 8.810 270 2HD1 ILE 33 2HD1 ILE 33 -0.415 -6.319 8.605 271 3HD1 ILE 33 3HD1 ILE 33 -0.942 -4.694 9.106 272 H LEU 34 H LEU 34 0.073 -3.228 2.848 273 HA LEU 34 HA LEU 34 2.795 -2.228 3.056 274 1HB LEU 34 1HB LEU 34 1.504 -3.307 0.988 275 2HB LEU 34 2HB LEU 34 1.026 -1.640 0.736 276 HG LEU 34 HG LEU 34 2.942 -2.021 -0.603 277 1HD1 LEU 34 1HD1 LEU 34 4.694 -0.531 0.515 278 2HD1 LEU 34 2HD1 LEU 34 3.063 0.145 0.288 279 3HD1 LEU 34 3HD1 LEU 34 3.567 -0.443 1.891 280 1HD2 LEU 34 1HD2 LEU 34 4.920 -3.093 0.019 281 2HD2 LEU 34 2HD2 LEU 34 4.590 -2.908 1.758 282 3HD2 LEU 34 3HD2 LEU 34 3.645 -4.065 0.791 283 H ARG 35 H ARG 35 3.213 -0.288 3.951 284 HA ARG 35 HA ARG 35 0.974 1.561 4.060 285 1HB ARG 35 1HB ARG 35 2.122 2.586 6.001 286 2HB ARG 35 2HB ARG 35 1.913 0.866 6.266 287 1HG ARG 35 1HG ARG 35 4.409 1.165 4.899 288 2HG ARG 35 2HG ARG 35 4.380 2.403 6.140 289 1HD ARG 35 1HD ARG 35 3.856 0.699 7.870 290 2HD ARG 35 2HD ARG 35 3.780 -0.553 6.646 291 HE ARG 35 HE ARG 35 6.140 -0.541 6.481 292 1HH1 ARG 35 2HH2 ARG 35 5.032 2.138 8.476 293 2HH1 ARG 35 1HH2 ARG 35 6.615 2.516 9.071 294 1HH2 ARG 35 2HH1 ARG 35 8.228 -0.042 7.265 295 2HH2 ARG 35 1HH1 ARG 35 8.444 1.268 8.377 296 H ILE 36 H ILE 36 1.246 3.723 3.305 297 HA ILE 36 HA ILE 36 3.629 4.095 1.663 298 HB ILE 36 HB ILE 36 0.837 5.155 1.638 299 1HG1 ILE 36 1HG1 ILE 36 1.345 4.706 -0.890 300 2HG1 ILE 36 2HG1 ILE 36 2.696 3.771 -0.279 301 1HG2 ILE 36 1HG2 ILE 36 2.288 7.155 1.635 302 2HG2 ILE 36 2HG2 ILE 36 3.151 6.503 0.221 303 3HG2 ILE 36 3HG2 ILE 36 1.426 6.923 0.095 304 1HD1 ILE 36 1HD1 ILE 36 1.095 2.487 1.193 305 2HD1 ILE 36 2HD1 ILE 36 -0.246 3.374 0.430 306 3HD1 ILE 36 3HD1 ILE 36 0.773 2.289 -0.547 307 H ARG 37 H ARG 37 5.310 5.036 2.695 308 HA ARG 37 HA ARG 37 4.608 7.244 4.461 309 1HB ARG 37 1HB ARG 37 5.959 4.876 5.152 310 2HB ARG 37 2HB ARG 37 7.264 6.026 4.935 311 1HG ARG 37 1HG ARG 37 5.091 7.296 6.401 312 2HG ARG 37 2HG ARG 37 5.511 5.783 7.179 313 1HD ARG 37 1HD ARG 37 7.926 7.245 6.369 314 2HD ARG 37 2HD ARG 37 6.905 8.241 7.388 315 HE ARG 37 HE ARG 37 7.072 5.618 8.538 316 1HH1 ARG 37 2HH2 ARG 37 9.054 8.476 8.003 317 2HH1 ARG 37 1HH2 ARG 37 10.073 8.183 9.373 318 1HH2 ARG 37 2HH1 ARG 37 8.415 5.231 10.345 319 2HH2 ARG 37 1HH1 ARG 37 9.707 6.324 10.714 320 H VAL 38 H VAL 38 6.187 9.058 4.496 321 HA VAL 38 HA VAL 38 7.186 9.604 1.900 322 HB VAL 38 HB VAL 38 7.792 11.103 4.445 323 1HG1 VAL 38 1HG1 VAL 38 7.365 12.074 1.600 324 2HG1 VAL 38 2HG1 VAL 38 7.872 13.048 3.001 325 3HG1 VAL 38 3HG1 VAL 38 8.952 11.790 2.353 326 1HG2 VAL 38 1HG2 VAL 38 5.649 12.418 3.717 327 2HG2 VAL 38 2HG2 VAL 38 5.208 10.890 2.919 328 3HG2 VAL 38 3HG2 VAL 38 5.491 10.927 4.676 329 H VAL 39 H VAL 39 9.467 10.170 1.396 330 HA VAL 39 HA VAL 39 11.453 9.043 3.165 331 HB VAL 39 HB VAL 39 10.719 7.855 0.500 332 1HG1 VAL 39 1HG1 VAL 39 12.912 7.819 -0.014 333 2HG1 VAL 39 2HG1 VAL 39 13.410 8.209 1.649 334 3HG1 VAL 39 3HG1 VAL 39 13.015 6.530 1.210 335 1HG2 VAL 39 1HG2 VAL 39 11.213 6.725 3.271 336 2HG2 VAL 39 2HG2 VAL 39 9.679 6.772 2.368 337 3HG2 VAL 39 3HG2 VAL 39 11.007 5.725 1.813 338 HA PRO 40 HA PRO 40 13.109 12.630 1.234 339 1HB PRO 40 1HB PRO 40 15.006 13.157 3.130 340 2HB PRO 40 2HB PRO 40 13.361 13.752 3.229 341 1HG PRO 40 1HG PRO 40 14.631 11.553 4.742 342 2HG PRO 40 2HG PRO 40 13.160 12.432 5.109 343 1HD PRO 40 1HD PRO 40 13.350 9.790 4.008 344 2HD PRO 40 2HD PRO 40 11.884 10.715 4.267 345 H GLY 41 H GLY 41 13.659 10.898 -0.418 346 1HA GLY 41 1HA GLY 41 16.363 9.908 -0.200 347 2HA GLY 41 2HA GLY 41 15.237 9.680 -1.523 348 H GLY 42 H GLY 42 14.586 12.071 -2.534 349 1HA GLY 42 1HA GLY 42 17.106 13.563 -2.900 350 2HA GLY 42 2HA GLY 42 16.204 12.971 -4.281 351 H CYS 43 H CYS 43 16.761 15.759 -3.756 352 HA CYS 43 HA CYS 43 14.565 16.994 -2.516 353 1HB CYS 43 1HB CYS 43 16.731 17.975 -4.380 354 2HB CYS 43 2HB CYS 43 15.431 19.030 -3.861 355 HG CYS 43 HG CYS 43 18.079 18.164 -2.449 356 H SER 44 H SER 44 15.480 16.297 -5.960 357 HA SER 44 HA SER 44 12.946 17.278 -6.851 358 1HB SER 44 1HB SER 44 15.423 17.148 -8.012 359 2HB SER 44 2HB SER 44 14.689 15.718 -8.710 360 HG SER 44 HG SER 44 14.313 17.613 -10.020 361 H GLY 45 H GLY 45 14.710 14.122 -6.620 362 1HA GLY 45 1HA GLY 45 12.698 12.524 -7.764 363 2HA GLY 45 2HA GLY 45 13.992 11.993 -6.709 364 H PHE 46 H PHE 46 13.604 11.604 -4.505 365 HA PHE 46 HA PHE 46 12.416 11.116 -2.714 366 1HB PHE 46 1HB PHE 46 12.084 13.404 -2.201 367 2HB PHE 46 2HB PHE 46 11.332 13.738 -3.748 368 HD1 PHE 46 1HD PHE 46 9.309 14.757 -3.263 369 HD2 PHE 46 2HD PHE 46 10.397 11.256 -1.127 370 HE1 PHE 46 1HE PHE 46 7.048 14.719 -2.174 371 HE2 PHE 46 2HE PHE 46 8.136 11.218 -0.038 372 HZ PHE 46 HZ PHE 46 6.488 12.950 -0.574 373 H GLN 47 H GLN 47 11.379 9.170 -2.908 374 HA GLN 47 HA GLN 47 8.690 9.309 -4.001 375 1HB GLN 47 1HB GLN 47 10.699 7.094 -4.606 376 2HB GLN 47 2HB GLN 47 9.022 7.108 -5.117 377 1HG GLN 47 1HG GLN 47 9.400 8.638 -6.794 378 2HG GLN 47 2HG GLN 47 10.527 9.573 -5.833 379 1HE2 GLN 47 1HE2 GLN 47 11.224 9.302 -8.320 380 2HE2 GLN 47 2HE2 GLN 47 12.493 8.150 -8.571 381 H TYR 48 H TYR 48 7.219 7.644 -3.129 382 HA TYR 48 HA TYR 48 7.896 7.040 -0.394 383 1HB TYR 48 1HB TYR 48 5.528 6.820 -2.321 384 2HB TYR 48 2HB TYR 48 5.438 5.997 -0.777 385 HD1 TYR 48 1HD TYR 48 4.857 7.170 1.199 386 HD2 TYR 48 2HD TYR 48 5.877 9.353 -2.336 387 HE1 TYR 48 1HE TYR 48 4.066 9.325 2.293 388 HE2 TYR 48 2HE TYR 48 5.083 11.501 -1.230 389 HH TYR 48 HH TYR 48 4.867 12.308 1.182 390 H ALA 49 H ALA 49 9.042 5.244 0.121 391 HA ALA 49 HA ALA 49 9.099 3.021 -1.701 392 1HB ALA 49 1HB ALA 49 10.277 2.863 1.043 393 2HB ALA 49 2HB ALA 49 10.970 2.394 -0.528 394 3HB ALA 49 3HB ALA 49 10.931 4.108 -0.048 395 H MET 50 H MET 50 8.628 0.766 -0.956 396 HA MET 50 HA MET 50 6.144 0.822 0.509 397 1HB MET 50 1HB MET 50 7.579 -1.084 -1.362 398 2HB MET 50 2HB MET 50 6.393 -1.767 -0.267 399 1HG MET 50 1HG MET 50 4.696 -1.036 -1.587 400 2HG MET 50 2HG MET 50 5.251 0.619 -1.439 401 1HE MET 50 1HE MET 50 3.803 -0.940 -3.560 402 2HE MET 50 2HE MET 50 4.528 -0.636 -5.157 403 3HE MET 50 3HE MET 50 4.815 -2.186 -4.329 404 H GLY 51 H GLY 51 5.797 -1.392 1.867 405 1HA GLY 51 1HA GLY 51 7.974 -2.574 3.166 406 2HA GLY 51 2HA GLY 51 7.477 -1.188 4.116 407 H PHE 52 H PHE 52 7.236 -4.267 4.454 408 HA PHE 52 HA PHE 52 4.326 -4.335 4.831 409 1HB PHE 52 1HB PHE 52 6.430 -6.576 4.670 410 2HB PHE 52 2HB PHE 52 4.697 -6.825 4.736 411 HD1 PHE 52 1HD PHE 52 7.207 -5.005 2.650 412 HD2 PHE 52 2HD PHE 52 3.598 -7.234 2.753 413 HE1 PHE 52 1HE PHE 52 7.103 -4.952 0.143 414 HE2 PHE 52 2HE PHE 52 3.494 -7.181 0.246 415 HZ PHE 52 HZ PHE 52 5.248 -6.041 -1.029 416 H ASP 53 H ASP 53 3.729 -3.956 6.910 417 HA ASP 53 HA ASP 53 5.604 -4.829 8.960 418 1HB ASP 53 1HB ASP 53 4.303 -2.360 8.555 419 2HB ASP 53 2HB ASP 53 3.379 -3.108 9.842 420 H ASP 54 H ASP 54 4.189 -5.233 11.175 421 HA ASP 54 HA ASP 54 1.836 -6.757 10.385 422 1HB ASP 54 1HB ASP 54 4.027 -8.076 11.007 423 2HB ASP 54 2HB ASP 54 3.678 -7.590 12.654 424 H THR 55 H THR 55 1.140 -4.355 11.127 425 HA THR 55 HA THR 55 -0.173 -4.558 13.566 426 HB THR 55 HB THR 55 1.956 -4.376 14.706 427 HG1 THR 55 1HG THR 55 0.428 -2.912 15.596 428 1HG2 THR 55 1HG2 THR 55 3.464 -3.543 12.983 429 2HG2 THR 55 2HG2 THR 55 2.473 -2.083 12.747 430 3HG2 THR 55 3HG2 THR 55 3.400 -2.295 14.251 431 H VAL 56 H VAL 56 -1.036 -2.284 14.270 432 HA VAL 56 HA VAL 56 -1.266 -0.589 11.896 433 HB VAL 56 HB VAL 56 -3.327 -2.248 13.127 434 1HG1 VAL 56 1HG1 VAL 56 -5.131 -0.563 13.004 435 2HG1 VAL 56 2HG1 VAL 56 -3.938 -0.179 14.268 436 3HG1 VAL 56 3HG1 VAL 56 -3.914 0.705 12.724 437 1HG2 VAL 56 1HG2 VAL 56 -3.521 -2.592 10.924 438 2HG2 VAL 56 2HG2 VAL 56 -4.341 -1.014 10.841 439 3HG2 VAL 56 3HG2 VAL 56 -2.591 -1.125 10.537 440 H GLU 57 H GLU 57 -1.947 1.633 12.414 441 HA GLU 57 HA GLU 57 -0.891 2.349 14.993 442 1HB GLU 57 1HB GLU 57 -1.887 4.318 12.919 443 2HB GLU 57 2HB GLU 57 -0.626 4.537 14.115 444 1HG GLU 57 1HG GLU 57 0.770 2.809 12.910 445 2HG GLU 57 2HG GLU 57 -0.477 2.691 11.685 446 H GLU 58 H GLU 58 -2.092 4.355 16.080 447 HA GLU 58 HA GLU 58 -4.756 3.404 16.539 448 1HB GLU 58 1HB GLU 58 -2.745 4.754 18.064 449 2HB GLU 58 2HB GLU 58 -4.132 5.823 18.006 450 1HG GLU 58 1HG GLU 58 -5.606 3.942 18.767 451 2HG GLU 58 2HG GLU 58 -4.211 2.884 18.840 452 H GLY 59 H GLY 59 -4.129 4.622 13.909 453 1HA GLY 59 1HA GLY 59 -6.379 6.062 13.394 454 2HA GLY 59 2HA GLY 59 -5.227 7.280 13.902 455 H ASP 60 H ASP 60 -5.186 4.272 11.845 456 HA ASP 60 HA ASP 60 -3.740 5.876 9.884 457 1HB ASP 60 1HB ASP 60 -2.976 3.457 11.158 458 2HB ASP 60 2HB ASP 60 -3.471 2.974 9.548 459 H HIS 61 H HIS 61 -4.799 6.033 7.887 460 HA HIS 61 HA HIS 61 -7.343 4.884 7.589 461 1HB HIS 61 1HB HIS 61 -5.496 6.427 5.773 462 2HB HIS 61 2HB HIS 61 -7.010 5.776 5.178 463 HD1 HIS 61 1HD HIS 61 -6.814 7.132 8.695 464 HD2 HIS 61 2HD HIS 61 -8.138 8.348 4.905 465 HE1 HIS 61 1HE HIS 61 -8.180 9.255 9.063 466 H VAL 62 H VAL 62 -7.512 2.673 7.510 467 HA VAL 62 HA VAL 62 -5.580 1.204 5.919 468 HB VAL 62 HB VAL 62 -6.791 0.714 8.299 469 1HG1 VAL 62 1HG1 VAL 62 -8.430 -1.045 8.059 470 2HG1 VAL 62 2HG1 VAL 62 -8.987 0.385 7.157 471 3HG1 VAL 62 3HG1 VAL 62 -8.284 -0.998 6.286 472 1HG2 VAL 62 1HG2 VAL 62 -5.501 -1.070 6.249 473 2HG2 VAL 62 2HG2 VAL 62 -4.871 -0.495 7.811 474 3HG2 VAL 62 3HG2 VAL 62 -6.121 -1.761 7.767 475 H PHE 63 H PHE 63 -5.926 0.648 3.831 476 HA PHE 63 HA PHE 63 -8.704 0.810 2.891 477 1HB PHE 63 1HB PHE 63 -6.436 2.255 2.131 478 2HB PHE 63 2HB PHE 63 -6.365 0.918 1.000 479 HD1 PHE 63 1HD PHE 63 -9.102 3.071 2.373 480 HD2 PHE 63 2HD PHE 63 -7.208 1.457 -1.064 481 HE1 PHE 63 1HE PHE 63 -10.783 4.222 0.906 482 HE2 PHE 63 2HE PHE 63 -8.888 2.608 -2.531 483 HZ PHE 63 HZ PHE 63 -10.656 3.977 -1.528 484 H GLU 64 H GLU 64 -9.598 -1.072 2.193 485 HA GLU 64 HA GLU 64 -7.963 -3.386 2.123 486 1HB GLU 64 1HB GLU 64 -10.902 -2.973 1.417 487 2HB GLU 64 2HB GLU 64 -10.124 -4.538 1.535 488 1HG GLU 64 1HG GLU 64 -9.534 -4.064 3.922 489 2HG GLU 64 2HG GLU 64 -10.315 -2.500 3.804 490 H TYR 65 H TYR 65 -7.003 -4.358 0.370 491 HA TYR 65 HA TYR 65 -7.698 -3.240 -2.262 492 1HB TYR 65 1HB TYR 65 -5.210 -3.998 -0.744 493 2HB TYR 65 2HB TYR 65 -5.210 -4.529 -2.414 494 HD1 TYR 65 1HD TYR 65 -5.801 -2.687 -4.206 495 HD2 TYR 65 2HD TYR 65 -4.481 -1.841 -0.225 496 HE1 TYR 65 1HE TYR 65 -5.059 -0.367 -4.936 497 HE2 TYR 65 2HE TYR 65 -3.745 0.476 -0.969 498 HH TYR 65 HH TYR 65 -3.025 1.530 -3.118 499 H ASP 66 H ASP 66 -6.323 -5.139 -3.834 500 HA ASP 66 HA ASP 66 -8.267 -7.114 -3.974 501 1HB ASP 66 1HB ASP 66 -6.582 -6.187 -5.768 502 2HB ASP 66 2HB ASP 66 -5.470 -7.384 -5.135 503 H GLY 67 H GLY 67 -8.045 -7.804 -1.574 504 1HA GLY 67 1HA GLY 67 -7.547 -9.483 -0.148 505 2HA GLY 67 2HA GLY 67 -6.595 -10.251 -1.403 506 H VAL 68 H VAL 68 -6.127 -6.891 -0.203 507 HA VAL 68 HA VAL 68 -3.865 -7.714 1.396 508 HB VAL 68 HB VAL 68 -3.583 -6.028 -1.097 509 1HG1 VAL 68 1HG1 VAL 68 -1.321 -5.564 -0.473 510 2HG1 VAL 68 2HG1 VAL 68 -2.349 -5.120 0.910 511 3HG1 VAL 68 3HG1 VAL 68 -1.423 -6.640 0.942 512 1HG2 VAL 68 1HG2 VAL 68 -2.483 -8.725 -0.268 513 2HG2 VAL 68 2HG2 VAL 68 -3.484 -8.327 -1.685 514 3HG2 VAL 68 3HG2 VAL 68 -1.796 -7.767 -1.602 515 H LYS 69 H LYS 69 -3.138 -5.997 2.826 516 HA LYS 69 HA LYS 69 -5.179 -3.902 3.069 517 1HB LYS 69 1HB LYS 69 -3.480 -5.310 5.141 518 2HB LYS 69 2HB LYS 69 -4.378 -3.845 5.482 519 1HG LYS 69 1HG LYS 69 -6.382 -4.942 5.540 520 2HG LYS 69 2HG LYS 69 -6.025 -5.862 4.092 521 1HD LYS 69 1HD LYS 69 -4.777 -7.521 5.326 522 2HD LYS 69 2HD LYS 69 -4.704 -6.513 6.758 523 1HE LYS 69 1HE LYS 69 -6.553 -7.619 7.490 524 2HE LYS 69 2HE LYS 69 -7.458 -6.720 6.289 525 1HZ LYS 69 1HZ LYS 69 -6.865 -9.448 6.330 526 2HZ LYS 69 2HZ LYS 69 -7.837 -8.633 5.301 527 3HZ LYS 69 3HZ LYS 69 -6.247 -8.800 4.964 528 H VAL 70 H VAL 70 -4.533 -1.730 3.418 529 HA VAL 70 HA VAL 70 -1.678 -1.194 3.292 530 HB VAL 70 HB VAL 70 -3.698 -0.497 1.188 531 1HG1 VAL 70 1HG1 VAL 70 -1.148 1.066 1.723 532 2HG1 VAL 70 2HG1 VAL 70 -2.252 1.284 0.344 533 3HG1 VAL 70 3HG1 VAL 70 -2.805 1.658 1.994 534 1HG2 VAL 70 1HG2 VAL 70 -1.599 -0.954 -0.242 535 2HG2 VAL 70 2HG2 VAL 70 -0.898 -1.628 1.249 536 3HG2 VAL 70 3HG2 VAL 70 -2.380 -2.336 0.563 537 H VAL 71 H VAL 71 -1.151 0.999 3.989 538 HA VAL 71 HA VAL 71 -3.372 2.519 5.084 539 HB VAL 71 HB VAL 71 -2.652 2.498 7.284 540 1HG1 VAL 71 1HG1 VAL 71 -1.978 -0.334 6.442 541 2HG1 VAL 71 2HG1 VAL 71 -2.695 0.219 7.974 542 3HG1 VAL 71 3HG1 VAL 71 -3.638 0.309 6.467 543 1HG2 VAL 71 1HG2 VAL 71 -0.253 2.903 6.797 544 2HG2 VAL 71 2HG2 VAL 71 -0.501 1.698 8.084 545 3HG2 VAL 71 3HG2 VAL 71 -0.053 1.170 6.444 546 H ILE 72 H ILE 72 -2.606 4.725 5.822 547 HA ILE 72 HA ILE 72 -0.033 5.484 4.713 548 HB ILE 72 HB ILE 72 -2.578 6.841 3.828 549 1HG1 ILE 72 1HG1 ILE 72 -0.912 4.713 2.483 550 2HG1 ILE 72 2HG1 ILE 72 -2.640 4.724 2.776 551 1HG2 ILE 72 1HG2 ILE 72 -0.210 8.012 4.018 552 2HG2 ILE 72 2HG2 ILE 72 0.061 7.174 2.471 553 3HG2 ILE 72 3HG2 ILE 72 -1.298 8.311 2.642 554 1HD1 ILE 72 1HD1 ILE 72 -2.875 6.683 1.220 555 2HD1 ILE 72 2HD1 ILE 72 -1.130 6.582 0.882 556 3HD1 ILE 72 3HD1 ILE 72 -2.205 5.242 0.417 557 H ASP 73 H ASP 73 0.977 6.840 6.102 558 HA ASP 73 HA ASP 73 0.031 7.418 8.533 559 1HB ASP 73 1HB ASP 73 2.136 8.514 6.754 560 2HB ASP 73 2HB ASP 73 1.606 9.657 7.972 561 HA PRO 74 HA PRO 74 -2.717 10.799 8.040 562 1HB PRO 74 1HB PRO 74 -2.405 12.205 10.362 563 2HB PRO 74 2HB PRO 74 -3.360 10.741 10.250 564 1HG PRO 74 1HG PRO 74 -0.677 11.117 11.434 565 2HG PRO 74 2HG PRO 74 -1.811 9.804 11.680 566 1HD PRO 74 1HD PRO 74 0.550 9.751 10.051 567 2HD PRO 74 2HD PRO 74 -0.646 8.479 10.206 568 H PHE 75 H PHE 75 0.602 11.499 8.557 569 HA PHE 75 HA PHE 75 0.221 14.252 7.750 570 1HB PHE 75 1HB PHE 75 2.387 12.414 8.801 571 2HB PHE 75 2HB PHE 75 2.937 13.777 7.847 572 HD1 PHE 75 1HD PHE 75 2.711 12.811 11.041 573 HD2 PHE 75 2HD PHE 75 1.323 15.994 8.602 574 HE1 PHE 75 1HE PHE 75 2.550 14.291 13.063 575 HE2 PHE 75 2HE PHE 75 1.162 17.473 10.623 576 HZ PHE 75 HZ PHE 75 1.777 16.604 12.830 577 H SER 76 H SER 76 1.114 11.112 6.392 578 HA SER 76 HA SER 76 2.269 12.355 4.073 579 1HB SER 76 1HB SER 76 3.317 10.366 3.824 580 2HB SER 76 2HB SER 76 2.623 9.896 5.363 581 HG SER 76 HG SER 76 1.981 9.044 2.784 582 H MET 77 H MET 77 -0.819 11.260 5.248 583 HA MET 77 HA MET 77 -1.995 10.368 2.933 584 1HB MET 77 1HB MET 77 -2.742 10.934 5.594 585 2HB MET 77 2HB MET 77 -3.741 12.036 4.667 586 1HG MET 77 1HG MET 77 -3.572 9.199 3.675 587 2HG MET 77 2HG MET 77 -4.470 9.467 5.156 588 1HE MET 77 1HE MET 77 -3.716 10.333 1.733 589 2HE MET 77 2HE MET 77 -5.264 9.755 1.071 590 3HE MET 77 3HE MET 77 -4.940 11.502 1.182 591 HA PRO 78 HA PRO 78 -3.148 14.898 2.104 592 1HB PRO 78 1HB PRO 78 -1.954 16.892 3.541 593 2HB PRO 78 2HB PRO 78 -3.529 16.235 3.939 594 1HG PRO 78 1HG PRO 78 -0.935 15.778 5.283 595 2HG PRO 78 2HG PRO 78 -2.553 15.490 5.892 596 1HD PRO 78 1HD PRO 78 -0.708 13.519 4.925 597 2HD PRO 78 2HD PRO 78 -2.365 13.247 5.425 598 H TYR 79 H TYR 79 -0.243 13.475 2.234 599 HA TYR 79 HA TYR 79 1.110 15.540 0.692 600 1HB TYR 79 1HB TYR 79 1.805 13.596 2.603 601 2HB TYR 79 2HB TYR 79 2.244 12.786 1.112 602 HD1 TYR 79 1HD TYR 79 3.227 15.221 3.560 603 HD2 TYR 79 2HD TYR 79 3.852 13.997 -0.492 604 HE1 TYR 79 1HE TYR 79 5.424 16.499 3.505 605 HE2 TYR 79 2HE TYR 79 6.047 15.279 -0.533 606 HH TYR 79 HH TYR 79 7.244 16.897 2.385 607 H VAL 80 H VAL 80 -0.600 12.461 0.312 608 HA VAL 80 HA VAL 80 -0.179 12.702 -2.566 609 HB VAL 80 HB VAL 80 0.268 10.347 -2.791 610 1HG1 VAL 80 1HG1 VAL 80 2.493 10.508 -2.370 611 2HG1 VAL 80 2HG1 VAL 80 2.069 12.191 -1.974 612 3HG1 VAL 80 3HG1 VAL 80 2.251 10.989 -0.674 613 1HG2 VAL 80 1HG2 VAL 80 -0.659 10.245 -0.040 614 2HG2 VAL 80 2HG2 VAL 80 -0.469 8.932 -1.227 615 3HG2 VAL 80 3HG2 VAL 80 0.913 9.429 -0.221 616 H ASN 81 H ASN 81 -2.358 13.492 -0.748 617 HA ASN 81 HA ASN 81 -4.320 11.512 -0.750 618 1HB ASN 81 1HB ASN 81 -4.276 13.626 0.684 619 2HB ASN 81 2HB ASN 81 -4.698 14.553 -0.742 620 1HD2 ASN 81 1HD2 ASN 81 -6.651 13.827 -1.944 621 2HD2 ASN 81 2HD2 ASN 81 -8.035 13.314 -1.038 622 H GLY 82 H GLY 82 -5.309 10.698 -2.603 623 1HA GLY 82 1HA GLY 82 -6.643 10.860 -4.472 624 2HA GLY 82 2HA GLY 82 -6.242 12.558 -4.639 625 H ALA 83 H ALA 83 -3.306 12.193 -4.388 626 HA ALA 83 HA ALA 83 -2.657 11.912 -7.052 627 1HB ALA 83 1HB ALA 83 -1.158 11.864 -4.442 628 2HB ALA 83 2HB ALA 83 -0.293 11.455 -5.943 629 3HB ALA 83 3HB ALA 83 -1.081 13.042 -5.774 630 H GLU 84 H GLU 84 -0.702 10.170 -7.584 631 HA GLU 84 HA GLU 84 -1.678 7.570 -6.740 632 1HB GLU 84 1HB GLU 84 -1.233 8.426 -9.633 633 2HB GLU 84 2HB GLU 84 -1.486 6.767 -9.129 634 1HG GLU 84 1HG GLU 84 -3.728 7.086 -9.140 635 2HG GLU 84 2HG GLU 84 -3.569 8.335 -7.921 636 H LEU 85 H LEU 85 -0.047 6.020 -6.468 637 HA LEU 85 HA LEU 85 2.660 7.007 -7.035 638 1HB LEU 85 1HB LEU 85 3.090 6.634 -4.913 639 2HB LEU 85 2HB LEU 85 1.447 6.083 -4.650 640 HG LEU 85 HG LEU 85 2.121 3.782 -5.260 641 1HD1 LEU 85 1HD1 LEU 85 4.563 5.146 -6.093 642 2HD1 LEU 85 2HD1 LEU 85 4.880 3.748 -5.037 643 3HD1 LEU 85 3HD1 LEU 85 3.935 3.539 -6.531 644 1HD2 LEU 85 1HD2 LEU 85 2.971 5.276 -2.920 645 2HD2 LEU 85 2HD2 LEU 85 2.272 3.643 -3.047 646 3HD2 LEU 85 3HD2 LEU 85 4.027 3.877 -3.227 647 H ASP 86 H ASP 86 3.442 6.122 -8.872 648 HA ASP 86 HA ASP 86 2.508 3.480 -9.566 649 1HB ASP 86 1HB ASP 86 3.193 3.965 -11.767 650 2HB ASP 86 2HB ASP 86 2.681 5.534 -11.176 651 H TYR 87 H TYR 87 3.868 1.667 -9.374 652 HA TYR 87 HA TYR 87 6.462 2.095 -8.180 653 1HB TYR 87 1HB TYR 87 4.631 0.329 -7.593 654 2HB TYR 87 2HB TYR 87 4.986 -0.437 -9.128 655 HD1 TYR 87 1HD TYR 87 6.452 0.449 -5.825 656 HD2 TYR 87 2HD TYR 87 6.829 -1.924 -9.365 657 HE1 TYR 87 1HE TYR 87 8.302 -0.907 -4.728 658 HE2 TYR 87 2HE TYR 87 8.677 -3.272 -8.256 659 HH TYR 87 HH TYR 87 10.278 -3.039 -6.519 660 H VAL 88 H VAL 88 8.371 2.130 -9.258 661 HA VAL 88 HA VAL 88 8.378 1.812 -12.080 662 HB VAL 88 HB VAL 88 10.551 2.210 -10.018 663 1HG1 VAL 88 1HG1 VAL 88 11.805 1.301 -11.726 664 2HG1 VAL 88 2HG1 VAL 88 10.694 1.867 -12.995 665 3HG1 VAL 88 3HG1 VAL 88 11.797 3.016 -12.201 666 1HG2 VAL 88 1HG2 VAL 88 8.744 3.992 -11.531 667 2HG2 VAL 88 2HG2 VAL 88 9.609 4.260 -9.998 668 3HG2 VAL 88 3HG2 VAL 88 10.458 4.473 -11.548 669 H VAL 89 H VAL 89 9.626 0.240 -13.316 670 HA VAL 89 HA VAL 89 10.096 -2.245 -11.824 671 HB VAL 89 HB VAL 89 8.911 -2.069 -14.595 672 1HG1 VAL 89 1HG1 VAL 89 10.145 -4.151 -13.962 673 2HG1 VAL 89 2HG1 VAL 89 8.989 -4.380 -12.628 674 3HG1 VAL 89 3HG1 VAL 89 8.421 -4.414 -14.315 675 1HG2 VAL 89 1HG2 VAL 89 7.089 -1.261 -13.495 676 2HG2 VAL 89 2HG2 VAL 89 6.849 -2.987 -13.128 677 3HG2 VAL 89 3HG2 VAL 89 7.606 -1.917 -11.923 678 H ASP 90 H ASP 90 12.191 -2.842 -11.966 679 HA ASP 90 HA ASP 90 13.497 -2.750 -14.467 680 1HB ASP 90 1HB ASP 90 14.472 -0.927 -12.218 681 2HB ASP 90 2HB ASP 90 15.421 -1.320 -13.638 682 H PHE 91 H PHE 91 16.148 -3.112 -13.700 683 HA PHE 91 HA PHE 91 17.379 -4.881 -13.074 684 1HB PHE 91 1HB PHE 91 17.104 -2.957 -11.177 685 2HB PHE 91 2HB PHE 91 16.346 -4.255 -10.277 686 HD1 PHE 91 1HD PHE 91 19.348 -4.127 -12.502 687 HD2 PHE 91 2HD PHE 91 17.786 -5.038 -8.663 688 HE1 PHE 91 1HE PHE 91 21.608 -4.943 -11.777 689 HE2 PHE 91 2HE PHE 91 20.046 -5.854 -7.938 690 HZ PHE 91 HZ PHE 91 21.930 -5.797 -9.503 691 H MET 92 H MET 92 16.788 -6.141 -10.257 692 HA MET 92 HA MET 92 15.151 -8.238 -11.382 693 1HB MET 92 1HB MET 92 17.338 -7.994 -9.430 694 2HB MET 92 2HB MET 92 16.007 -8.895 -8.731 695 1HG MET 92 1HG MET 92 16.077 -10.115 -11.156 696 2HG MET 92 2HG MET 92 17.750 -9.597 -11.082 697 1HE MET 92 1HE MET 92 19.508 -11.909 -9.423 698 2HE MET 92 2HE MET 92 18.478 -12.829 -10.547 699 3HE MET 92 3HE MET 92 19.003 -11.181 -10.967 700 H GLY 93 H GLY 93 14.014 -5.588 -10.478 701 1HA GLY 93 1HA GLY 93 11.747 -6.601 -9.105 702 2HA GLY 93 2HA GLY 93 12.780 -5.715 -8.001 703 H GLY 94 H GLY 94 12.793 -3.468 -8.023 704 1HA GLY 94 1HA GLY 94 12.303 -1.808 -10.167 705 2HA GLY 94 2HA GLY 94 10.726 -2.158 -9.487 706 H GLY 95 H GLY 95 10.336 -0.064 -8.648 707 1HA GLY 95 1HA GLY 95 11.589 0.464 -6.103 708 2HA GLY 95 2HA GLY 95 11.998 1.629 -7.347 709 H PHE 96 H PHE 96 10.835 3.201 -5.923 710 HA PHE 96 HA PHE 96 7.933 2.985 -6.323 711 1HB PHE 96 1HB PHE 96 8.297 4.777 -4.254 712 2HB PHE 96 2HB PHE 96 8.077 3.059 -3.988 713 HD1 PHE 96 1HD PHE 96 10.093 5.786 -3.227 714 HD2 PHE 96 2HD PHE 96 10.356 1.658 -4.172 715 HE1 PHE 96 1HE PHE 96 12.336 5.672 -2.106 716 HE2 PHE 96 2HE PHE 96 12.599 1.543 -3.052 717 HZ PHE 96 HZ PHE 96 13.562 3.552 -2.032 718 H THR 97 H THR 97 6.950 4.620 -7.446 719 HA THR 97 HA THR 97 8.306 7.194 -7.618 720 HB THR 97 HB THR 97 7.857 5.226 -9.882 721 HG1 THR 97 1HG THR 97 9.780 7.269 -9.017 722 1HG2 THR 97 1HG2 THR 97 8.249 8.225 -10.295 723 2HG2 THR 97 2HG2 THR 97 7.923 6.985 -11.528 724 3HG2 THR 97 3HG2 THR 97 6.640 7.472 -10.395 725 H ILE 98 H ILE 98 6.909 8.923 -8.412 726 HA ILE 98 HA ILE 98 4.076 8.203 -8.121 727 HB ILE 98 HB ILE 98 5.664 10.403 -6.849 728 1HG1 ILE 98 1HG1 ILE 98 3.873 9.609 -5.013 729 2HG1 ILE 98 2HG1 ILE 98 3.932 8.141 -5.969 730 1HG2 ILE 98 1HG2 ILE 98 3.974 11.675 -7.901 731 2HG2 ILE 98 2HG2 ILE 98 2.722 10.462 -7.540 732 3HG2 ILE 98 3HG2 ILE 98 3.431 11.429 -6.224 733 1HD1 ILE 98 1HD1 ILE 98 5.625 8.296 -4.049 734 2HD1 ILE 98 2HD1 ILE 98 6.305 7.893 -5.644 735 3HD1 ILE 98 3HD1 ILE 98 6.456 9.547 -5.004 736 H ARG 99 H ARG 99 2.624 9.202 -9.544 737 HA ARG 99 HA ARG 99 3.933 10.847 -11.559 738 1HB ARG 99 1HB ARG 99 2.986 8.329 -12.045 739 2HB ARG 99 2HB ARG 99 1.513 9.236 -12.328 740 1HG ARG 99 1HG ARG 99 3.141 10.804 -13.770 741 2HG ARG 99 2HG ARG 99 4.136 9.362 -13.821 742 1HD ARG 99 1HD ARG 99 1.221 8.962 -14.408 743 2HD ARG 99 2HD ARG 99 2.129 9.862 -15.608 744 HE ARG 99 HE ARG 99 3.352 7.918 -16.139 745 1HH1 ARG 99 2HH2 ARG 99 1.491 7.402 -13.198 746 2HH1 ARG 99 1HH2 ARG 99 1.788 5.696 -13.157 747 1HH2 ARG 99 2HH1 ARG 99 3.744 5.667 -16.086 748 2HH2 ARG 99 1HH1 ARG 99 3.077 4.703 -14.811 749 H ASN 100 H ASN 100 3.210 12.890 -10.872 750 HA ASN 100 HA ASN 100 0.495 13.171 -10.027 751 1HB ASN 100 1HB ASN 100 2.753 15.199 -10.445 752 2HB ASN 100 2HB ASN 100 1.178 15.627 -9.806 753 1HD2 ASN 100 1HD2 ASN 100 0.430 14.503 -7.873 754 2HD2 ASN 100 2HD2 ASN 100 1.568 14.044 -6.651 755 HA PRO 101 HA PRO 101 -0.628 14.185 -14.193 756 1HB PRO 101 1HB PRO 101 -3.328 14.363 -13.806 757 2HB PRO 101 2HB PRO 101 -2.503 12.850 -14.125 758 1HG PRO 101 1HG PRO 101 -3.595 13.863 -11.572 759 2HG PRO 101 2HG PRO 101 -3.161 12.222 -12.006 760 1HD PRO 101 1HD PRO 101 -1.651 14.015 -10.354 761 2HD PRO 101 2HD PRO 101 -1.164 12.417 -10.884 Start of MODEL 3 1 H MET 1 H MET 1 -20.942 3.493 19.765 2 HA MET 1 HA MET 1 -18.493 3.462 20.332 3 1HB MET 1 1HB MET 1 -20.074 1.969 18.520 4 2HB MET 1 2HB MET 1 -18.643 2.354 17.585 5 1HG MET 1 1HG MET 1 -18.122 0.291 18.685 6 2HG MET 1 2HG MET 1 -17.251 1.513 19.589 7 1HE MET 1 1HE MET 1 -18.196 -0.687 22.534 8 2HE MET 1 2HE MET 1 -17.187 -0.685 21.068 9 3HE MET 1 3HE MET 1 -17.160 0.714 22.169 10 H GLN 2 H GLN 2 -16.714 4.741 20.099 11 HA GLN 2 HA GLN 2 -16.617 6.753 18.203 12 1HB GLN 2 1HB GLN 2 -15.069 5.861 20.449 13 2HB GLN 2 2HB GLN 2 -13.956 6.087 19.114 14 1HG GLN 2 1HG GLN 2 -15.882 8.282 19.184 15 2HG GLN 2 2HG GLN 2 -15.122 8.105 20.754 16 1HE2 GLN 2 1HE2 GLN 2 -14.886 10.132 18.591 17 2HE2 GLN 2 2HE2 GLN 2 -13.196 10.280 18.241 18 H GLU 3 H GLU 3 -16.894 5.946 16.074 19 HA GLU 3 HA GLU 3 -15.297 3.813 15.147 20 1HB GLU 3 1HB GLU 3 -17.625 5.107 14.302 21 2HB GLU 3 2HB GLU 3 -16.458 5.573 13.081 22 1HG GLU 3 1HG GLU 3 -16.047 3.337 12.420 23 2HG GLU 3 2HG GLU 3 -16.604 2.674 13.944 24 H GLN 4 H GLN 4 -13.390 3.841 13.925 25 HA GLN 4 HA GLN 4 -12.129 6.457 13.808 26 1HB GLN 4 1HB GLN 4 -10.981 3.636 13.796 27 2HB GLN 4 2HB GLN 4 -10.003 5.061 13.504 28 1HG GLN 4 1HG GLN 4 -10.414 5.934 15.707 29 2HG GLN 4 2HG GLN 4 -11.756 4.841 15.982 30 1HE2 GLN 4 1HE2 GLN 4 -9.125 5.372 17.351 31 2HE2 GLN 4 2HE2 GLN 4 -8.387 3.820 17.567 32 H ALA 5 H ALA 5 -12.518 7.435 11.853 33 HA ALA 5 HA ALA 5 -13.204 6.125 9.523 34 1HB ALA 5 1HB ALA 5 -13.643 8.464 9.788 35 2HB ALA 5 2HB ALA 5 -11.924 8.824 10.076 36 3HB ALA 5 3HB ALA 5 -12.469 8.323 8.457 37 H GLN 6 H GLN 6 -12.082 4.779 8.214 38 HA GLN 6 HA GLN 6 -9.216 5.251 8.034 39 1HB GLN 6 1HB GLN 6 -8.827 2.796 8.023 40 2HB GLN 6 2HB GLN 6 -9.523 3.338 9.537 41 1HG GLN 6 1HG GLN 6 -11.801 2.789 8.048 42 2HG GLN 6 2HG GLN 6 -10.689 1.577 7.444 43 1HE2 GLN 6 1HE2 GLN 6 -11.638 -0.159 8.370 44 2HE2 GLN 6 2HE2 GLN 6 -11.686 -0.470 10.074 45 H GLN 7 H GLN 7 -10.747 6.429 6.181 46 HA GLN 7 HA GLN 7 -10.640 4.563 3.940 47 1HB GLN 7 1HB GLN 7 -12.515 5.820 2.914 48 2HB GLN 7 2HB GLN 7 -12.976 5.130 4.457 49 1HG GLN 7 1HG GLN 7 -12.210 7.471 5.438 50 2HG GLN 7 2HG GLN 7 -12.386 8.026 3.785 51 1HE2 GLN 7 1HE2 GLN 7 -13.966 6.900 6.643 52 2HE2 GLN 7 2HE2 GLN 7 -15.607 7.187 6.170 53 H PHE 8 H PHE 8 -8.687 5.075 2.983 54 HA PHE 8 HA PHE 8 -8.081 7.917 2.661 55 1HB PHE 8 1HB PHE 8 -6.474 6.175 3.721 56 2HB PHE 8 2HB PHE 8 -6.411 5.382 2.160 57 HD1 PHE 8 1HD PHE 8 -5.881 7.161 0.160 58 HD2 PHE 8 2HD PHE 8 -4.694 7.538 4.217 59 HE1 PHE 8 1HE PHE 8 -3.998 8.671 -0.531 60 HE2 PHE 8 2HE PHE 8 -2.811 9.047 3.525 61 HZ PHE 8 HZ PHE 8 -2.486 9.595 1.160 62 H ILE 9 H ILE 9 -8.178 8.893 0.682 63 HA ILE 9 HA ILE 9 -9.021 7.252 -1.541 64 HB ILE 9 HB ILE 9 -8.801 10.214 -1.058 65 1HG1 ILE 9 1HG1 ILE 9 -10.691 9.007 -0.019 66 2HG1 ILE 9 2HG1 ILE 9 -11.205 10.185 -1.210 67 1HG2 ILE 9 1HG2 ILE 9 -10.164 9.955 -3.434 68 2HG2 ILE 9 2HG2 ILE 9 -8.474 10.484 -3.250 69 3HG2 ILE 9 3HG2 ILE 9 -8.839 8.780 -3.612 70 1HD1 ILE 9 1HD1 ILE 9 -11.138 7.161 -1.460 71 2HD1 ILE 9 2HD1 ILE 9 -12.504 8.271 -1.725 72 3HD1 ILE 9 3HD1 ILE 9 -11.176 8.196 -2.908 73 H PHE 10 H PHE 10 -7.506 6.186 -2.696 74 HA PHE 10 HA PHE 10 -5.338 7.696 -3.797 75 1HB PHE 10 1HB PHE 10 -4.379 7.041 -1.609 76 2HB PHE 10 2HB PHE 10 -5.004 5.412 -1.770 77 HD1 PHE 10 1HD PHE 10 -3.424 3.809 -2.218 78 HD2 PHE 10 2HD PHE 10 -2.847 7.708 -3.791 79 HE1 PHE 10 1HE PHE 10 -1.251 3.076 -3.239 80 HE2 PHE 10 2HE PHE 10 -0.674 6.975 -4.812 81 HZ PHE 10 HZ PHE 10 0.098 4.668 -4.523 82 H LYS 11 H LYS 11 -4.414 6.666 -5.645 83 HA LYS 11 HA LYS 11 -5.687 4.115 -6.343 84 1HB LYS 11 1HB LYS 11 -5.223 6.473 -8.194 85 2HB LYS 11 2HB LYS 11 -5.855 4.909 -8.666 86 1HG LYS 11 1HG LYS 11 -7.207 6.448 -6.432 87 2HG LYS 11 2HG LYS 11 -7.519 6.896 -8.097 88 1HD LYS 11 1HD LYS 11 -8.508 4.803 -8.620 89 2HD LYS 11 2HD LYS 11 -7.732 3.986 -7.277 90 1HE LYS 11 1HE LYS 11 -9.196 5.021 -5.661 91 2HE LYS 11 2HE LYS 11 -9.767 6.206 -6.819 92 1HZ LYS 11 1HZ LYS 11 -11.398 4.570 -6.683 93 2HZ LYS 11 2HZ LYS 11 -10.641 4.260 -8.096 94 3HZ LYS 11 3HZ LYS 11 -10.337 3.333 -6.787 95 H VAL 12 H VAL 12 -4.148 2.572 -6.374 96 HA VAL 12 HA VAL 12 -1.471 3.401 -7.255 97 HB VAL 12 HB VAL 12 -2.133 2.376 -4.871 98 1HG1 VAL 12 1HG1 VAL 12 -2.986 0.283 -6.104 99 2HG1 VAL 12 2HG1 VAL 12 -1.269 -0.108 -6.361 100 3HG1 VAL 12 3HG1 VAL 12 -1.910 0.040 -4.707 101 1HG2 VAL 12 1HG2 VAL 12 0.158 1.953 -4.534 102 2HG2 VAL 12 2HG2 VAL 12 0.408 1.454 -6.224 103 3HG2 VAL 12 3HG2 VAL 12 0.117 3.166 -5.836 104 H THR 13 H THR 13 -0.431 2.226 -8.888 105 HA THR 13 HA THR 13 -2.074 1.025 -10.800 106 HB THR 13 HB THR 13 0.313 0.282 -11.645 107 HG1 THR 13 1HG THR 13 1.063 0.523 -9.313 108 1HG2 THR 13 1HG2 THR 13 0.621 2.381 -12.594 109 2HG2 THR 13 2HG2 THR 13 -1.023 2.648 -11.967 110 3HG2 THR 13 3HG2 THR 13 0.386 3.222 -11.043 111 H ASP 14 H ASP 14 -1.569 -1.255 -11.732 112 HA ASP 14 HA ASP 14 -2.336 -3.034 -9.680 113 1HB ASP 14 1HB ASP 14 -2.267 -2.960 -12.583 114 2HB ASP 14 2HB ASP 14 -1.548 -4.464 -12.044 115 H LYS 15 H LYS 15 0.645 -2.088 -11.348 116 HA LYS 15 HA LYS 15 2.140 -4.418 -10.860 117 1HB LYS 15 1HB LYS 15 2.483 -2.060 -12.265 118 2HB LYS 15 2HB LYS 15 3.643 -1.897 -10.962 119 1HG LYS 15 1HG LYS 15 4.705 -3.044 -12.855 120 2HG LYS 15 2HG LYS 15 4.577 -4.153 -11.504 121 1HD LYS 15 1HD LYS 15 2.813 -5.383 -12.501 122 2HD LYS 15 2HD LYS 15 2.352 -4.063 -13.558 123 1HE LYS 15 1HE LYS 15 4.586 -4.345 -14.762 124 2HE LYS 15 2HE LYS 15 4.875 -5.771 -13.785 125 1HZ LYS 15 1HZ LYS 15 3.842 -6.700 -15.536 126 2HZ LYS 15 2HZ LYS 15 2.497 -6.349 -14.679 127 3HZ LYS 15 3HZ LYS 15 2.958 -5.379 -15.909 128 H ALA 16 H ALA 16 1.679 -1.336 -9.029 129 HA ALA 16 HA ALA 16 3.513 -1.863 -7.019 130 1HB ALA 16 1HB ALA 16 2.106 0.257 -7.628 131 2HB ALA 16 2HB ALA 16 0.890 -0.443 -6.533 132 3HB ALA 16 3HB ALA 16 2.515 -0.047 -5.923 133 H VAL 17 H VAL 17 -0.088 -2.406 -6.994 134 HA VAL 17 HA VAL 17 -0.153 -3.743 -4.578 135 HB VAL 17 HB VAL 17 -1.873 -3.469 -6.972 136 1HG1 VAL 17 1HG1 VAL 17 -2.398 -5.628 -4.900 137 2HG1 VAL 17 2HG1 VAL 17 -3.505 -5.122 -6.199 138 3HG1 VAL 17 3HG1 VAL 17 -1.957 -5.903 -6.603 139 1HG2 VAL 17 1HG2 VAL 17 -3.190 -3.403 -4.394 140 2HG2 VAL 17 2HG2 VAL 17 -1.724 -2.395 -4.375 141 3HG2 VAL 17 3HG2 VAL 17 -2.986 -2.108 -5.597 142 H GLU 18 H GLU 18 0.385 -4.970 -7.930 143 HA GLU 18 HA GLU 18 0.362 -7.648 -7.243 144 1HB GLU 18 1HB GLU 18 0.199 -6.828 -9.566 145 2HB GLU 18 2HB GLU 18 1.837 -6.209 -9.492 146 1HG GLU 18 1HG GLU 18 1.429 -9.118 -8.824 147 2HG GLU 18 2HG GLU 18 1.262 -8.649 -10.504 148 H GLU 19 H GLU 19 2.718 -5.121 -6.683 149 HA GLU 19 HA GLU 19 4.893 -6.951 -6.410 150 1HB GLU 19 1HB GLU 19 5.393 -4.722 -7.217 151 2HB GLU 19 2HB GLU 19 4.579 -3.974 -5.858 152 1HG GLU 19 1HG GLU 19 6.869 -3.836 -5.264 153 2HG GLU 19 2HG GLU 19 6.300 -5.221 -4.354 154 H ILE 20 H ILE 20 2.434 -5.395 -4.375 155 HA ILE 20 HA ILE 20 3.759 -5.876 -1.915 156 HB ILE 20 HB ILE 20 0.806 -5.483 -2.375 157 1HG1 ILE 20 1HG1 ILE 20 1.573 -3.666 -3.553 158 2HG1 ILE 20 2HG1 ILE 20 1.499 -3.001 -1.933 159 1HG2 ILE 20 1HG2 ILE 20 2.647 -5.331 -0.033 160 2HG2 ILE 20 2HG2 ILE 20 1.311 -4.160 -0.127 161 3HG2 ILE 20 3HG2 ILE 20 0.966 -5.906 -0.143 162 1HD1 ILE 20 1HD1 ILE 20 3.913 -3.792 -3.556 163 2HD1 ILE 20 2HD1 ILE 20 3.646 -2.342 -2.559 164 3HD1 ILE 20 3HD1 ILE 20 4.010 -3.902 -1.782 165 H LYS 21 H LYS 21 1.104 -7.556 -3.727 166 HA LYS 21 HA LYS 21 0.932 -9.651 -1.836 167 1HB LYS 21 1HB LYS 21 -0.521 -10.707 -3.488 168 2HB LYS 21 2HB LYS 21 -0.940 -9.021 -3.266 169 1HG LYS 21 1HG LYS 21 0.859 -8.766 -5.308 170 2HG LYS 21 2HG LYS 21 0.270 -10.381 -5.647 171 1HD LYS 21 1HD LYS 21 -2.092 -9.006 -5.105 172 2HD LYS 21 2HD LYS 21 -1.127 -7.774 -5.894 173 1HE LYS 21 1HE LYS 21 -2.326 -8.935 -7.641 174 2HE LYS 21 2HE LYS 21 -0.653 -9.440 -7.764 175 1HZ LYS 21 1HZ LYS 21 -1.486 -11.470 -7.640 176 2HZ LYS 21 2HZ LYS 21 -1.709 -11.212 -6.043 177 3HZ LYS 21 3HZ LYS 21 -2.942 -10.977 -7.087 178 H LYS 22 H LYS 22 3.123 -8.879 -4.448 179 HA LYS 22 HA LYS 22 3.933 -11.572 -4.926 180 1HB LYS 22 1HB LYS 22 4.302 -10.258 -6.771 181 2HB LYS 22 2HB LYS 22 4.756 -8.850 -5.833 182 1HG LYS 22 1HG LYS 22 6.968 -9.489 -5.677 183 2HG LYS 22 2HG LYS 22 6.579 -11.190 -5.520 184 1HD LYS 22 1HD LYS 22 5.979 -11.212 -7.996 185 2HD LYS 22 2HD LYS 22 6.557 -9.562 -8.103 186 1HE LYS 22 1HE LYS 22 8.665 -10.877 -6.803 187 2HE LYS 22 2HE LYS 22 8.097 -12.082 -7.942 188 1HZ LYS 22 1HZ LYS 22 8.221 -10.327 -9.654 189 2HZ LYS 22 2HZ LYS 22 8.937 -9.341 -8.567 190 3HZ LYS 22 3HZ LYS 22 9.672 -10.727 -9.019 191 H VAL 23 H VAL 23 5.307 -8.738 -3.128 192 HA VAL 23 HA VAL 23 7.553 -10.113 -2.193 193 HB VAL 23 HB VAL 23 6.106 -7.596 -1.616 194 1HG1 VAL 23 1HG1 VAL 23 7.895 -7.298 0.322 195 2HG1 VAL 23 2HG1 VAL 23 6.289 -7.998 0.639 196 3HG1 VAL 23 3HG1 VAL 23 7.703 -9.063 0.451 197 1HG2 VAL 23 1HG2 VAL 23 7.867 -7.527 -3.225 198 2HG2 VAL 23 2HG2 VAL 23 8.478 -6.724 -1.758 199 3HG2 VAL 23 3HG2 VAL 23 8.985 -8.387 -2.139 200 H ALA 24 H ALA 24 4.195 -9.783 -0.967 201 HA ALA 24 HA ALA 24 4.709 -10.959 1.540 202 1HB ALA 24 1HB ALA 24 2.507 -10.518 1.874 203 2HB ALA 24 2HB ALA 24 2.620 -9.641 0.329 204 3HB ALA 24 3HB ALA 24 2.018 -11.316 0.361 205 H GLN 25 H GLN 25 3.415 -12.266 -1.590 206 HA GLN 25 HA GLN 25 3.021 -14.825 -0.734 207 1HB GLN 25 1HB GLN 25 3.588 -13.537 -3.391 208 2HB GLN 25 2HB GLN 25 3.677 -15.285 -3.309 209 1HG GLN 25 1HG GLN 25 1.350 -15.098 -2.066 210 2HG GLN 25 2HG GLN 25 1.292 -13.492 -2.765 211 1HE2 GLN 25 1HE2 GLN 25 0.941 -16.843 -3.270 212 2HE2 GLN 25 2HE2 GLN 25 0.572 -16.840 -4.963 213 H GLU 26 H GLU 26 6.022 -13.101 -1.398 214 HA GLU 26 HA GLU 26 7.546 -15.490 -1.684 215 1HB GLU 26 1HB GLU 26 7.946 -12.951 -2.530 216 2HB GLU 26 2HB GLU 26 8.856 -12.868 -1.034 217 1HG GLU 26 1HG GLU 26 9.328 -15.291 -2.741 218 2HG GLU 26 2HG GLU 26 9.919 -13.769 -3.377 219 H ASN 27 H ASN 27 6.141 -13.788 0.927 220 HA ASN 27 HA ASN 27 8.153 -14.880 2.732 221 1HB ASN 27 1HB ASN 27 6.442 -12.394 2.805 222 2HB ASN 27 2HB ASN 27 6.775 -13.171 4.340 223 1HD2 ASN 27 1HD2 ASN 27 7.934 -11.177 1.856 224 2HD2 ASN 27 2HD2 ASN 27 9.565 -10.955 2.395 225 H ASN 28 H ASN 28 5.391 -15.777 1.326 226 HA ASN 28 HA ASN 28 3.729 -17.085 1.803 227 1HB ASN 28 1HB ASN 28 5.670 -18.140 3.321 228 2HB ASN 28 2HB ASN 28 4.685 -17.553 4.646 229 1HD2 ASN 28 1HD2 ASN 28 4.830 -19.663 1.858 230 2HD2 ASN 28 2HD2 ASN 28 3.512 -20.708 2.271 231 H ILE 29 H ILE 29 3.576 -14.207 2.424 232 HA ILE 29 HA ILE 29 1.933 -14.153 4.839 233 HB ILE 29 HB ILE 29 3.098 -11.919 3.175 234 1HG1 ILE 29 1HG1 ILE 29 3.946 -12.971 5.890 235 2HG1 ILE 29 2HG1 ILE 29 4.780 -13.291 4.382 236 1HG2 ILE 29 1HG2 ILE 29 1.156 -11.970 5.409 237 2HG2 ILE 29 2HG2 ILE 29 2.472 -10.779 5.540 238 3HG2 ILE 29 3HG2 ILE 29 1.402 -10.770 4.118 239 1HD1 ILE 29 1HD1 ILE 29 4.647 -10.582 4.211 240 2HD1 ILE 29 2HD1 ILE 29 4.645 -10.765 5.982 241 3HD1 ILE 29 3HD1 ILE 29 5.986 -11.432 5.020 242 H GLU 30 H GLU 30 -0.259 -13.730 4.796 243 HA GLU 30 HA GLU 30 -1.366 -13.516 2.106 244 1HB GLU 30 1HB GLU 30 -1.876 -15.406 4.188 245 2HB GLU 30 2HB GLU 30 -3.314 -14.413 4.060 246 1HG GLU 30 1HG GLU 30 -3.698 -15.012 1.803 247 2HG GLU 30 2HG GLU 30 -2.025 -15.457 1.528 248 H ASN 31 H ASN 31 -0.503 -11.532 4.454 249 HA ASN 31 HA ASN 31 -2.782 -9.836 4.003 250 1HB ASN 31 1HB ASN 31 -2.955 -11.185 6.286 251 2HB ASN 31 2HB ASN 31 -1.713 -10.081 6.842 252 1HD2 ASN 31 1HD2 ASN 31 -4.329 -10.291 7.874 253 2HD2 ASN 31 2HD2 ASN 31 -5.163 -8.794 7.624 254 HA PRO 32 HA PRO 32 1.396 -7.907 4.015 255 1HB PRO 32 1HB PRO 32 1.452 -7.037 1.425 256 2HB PRO 32 2HB PRO 32 2.161 -8.554 1.942 257 1HG PRO 32 1HG PRO 32 -0.351 -8.094 0.453 258 2HG PRO 32 2HG PRO 32 0.580 -9.571 0.606 259 1HD PRO 32 1HD PRO 32 -1.859 -8.929 1.973 260 2HD PRO 32 2HD PRO 32 -0.867 -10.354 2.212 261 H ILE 33 H ILE 33 1.213 -6.190 5.316 262 HA ILE 33 HA ILE 33 -0.751 -4.208 4.492 263 HB ILE 33 HB ILE 33 0.816 -4.678 7.022 264 1HG1 ILE 33 1HG1 ILE 33 -2.106 -4.453 7.132 265 2HG1 ILE 33 2HG1 ILE 33 -1.563 -5.764 6.104 266 1HG2 ILE 33 1HG2 ILE 33 -1.243 -2.523 6.883 267 2HG2 ILE 33 2HG2 ILE 33 0.191 -2.681 7.924 268 3HG2 ILE 33 3HG2 ILE 33 0.376 -2.183 6.226 269 1HD1 ILE 33 1HD1 ILE 33 -0.470 -5.320 8.915 270 2HD1 ILE 33 2HD1 ILE 33 -1.864 -6.369 8.564 271 3HD1 ILE 33 3HD1 ILE 33 -0.265 -6.758 7.887 272 H LEU 34 H LEU 34 -0.044 -2.801 2.968 273 HA LEU 34 HA LEU 34 2.759 -2.034 3.013 274 1HB LEU 34 1HB LEU 34 2.103 -2.626 0.880 275 2HB LEU 34 2HB LEU 34 0.525 -1.880 1.032 276 HG LEU 34 HG LEU 34 2.106 0.322 1.226 277 1HD1 LEU 34 1HD1 LEU 34 3.586 -0.533 -1.027 278 2HD1 LEU 34 2HD1 LEU 34 4.193 -0.033 0.570 279 3HD1 LEU 34 3HD1 LEU 34 3.839 -1.748 0.249 280 1HD2 LEU 34 1HD2 LEU 34 1.402 0.867 -0.974 281 2HD2 LEU 34 2HD2 LEU 34 1.269 -0.847 -1.435 282 3HD2 LEU 34 3HD2 LEU 34 0.124 -0.149 -0.264 283 H ARG 35 H ARG 35 3.492 -0.123 3.809 284 HA ARG 35 HA ARG 35 1.412 1.749 4.603 285 1HB ARG 35 1HB ARG 35 2.718 0.835 6.499 286 2HB ARG 35 2HB ARG 35 4.222 1.301 5.729 287 1HG ARG 35 1HG ARG 35 2.998 3.727 5.727 288 2HG ARG 35 2HG ARG 35 2.176 3.021 7.105 289 1HD ARG 35 1HD ARG 35 5.208 3.228 6.763 290 2HD ARG 35 2HD ARG 35 4.230 4.236 7.811 291 HE ARG 35 HE ARG 35 3.579 1.713 8.683 292 1HH1 ARG 35 2HH2 ARG 35 6.664 3.308 8.113 293 2HH1 ARG 35 1HH2 ARG 35 7.503 2.400 9.326 294 1HH2 ARG 35 2HH1 ARG 35 4.686 0.516 10.285 295 2HH2 ARG 35 1HH1 ARG 35 6.370 0.801 10.570 296 H ILE 36 H ILE 36 1.418 3.779 3.648 297 HA ILE 36 HA ILE 36 3.568 4.328 1.779 298 HB ILE 36 HB ILE 36 0.762 5.207 2.172 299 1HG1 ILE 36 1HG1 ILE 36 0.990 5.098 -0.420 300 2HG1 ILE 36 2HG1 ILE 36 2.505 4.277 -0.102 301 1HG2 ILE 36 1HG2 ILE 36 1.842 7.352 2.270 302 2HG2 ILE 36 2HG2 ILE 36 2.868 6.953 0.871 303 3HG2 ILE 36 3HG2 ILE 36 1.112 7.152 0.659 304 1HD1 ILE 36 1HD1 ILE 36 0.253 3.263 1.539 305 2HD1 ILE 36 2HD1 ILE 36 0.034 3.041 -0.213 306 3HD1 ILE 36 3HD1 ILE 36 1.468 2.366 0.596 307 H ARG 37 H ARG 37 5.365 5.274 2.586 308 HA ARG 37 HA ARG 37 4.891 7.390 4.530 309 1HB ARG 37 1HB ARG 37 6.102 5.209 5.324 310 2HB ARG 37 2HB ARG 37 7.463 5.761 4.367 311 1HG ARG 37 1HG ARG 37 8.074 6.880 6.266 312 2HG ARG 37 2HG ARG 37 6.883 8.061 5.759 313 1HD ARG 37 1HD ARG 37 5.532 7.580 7.528 314 2HD ARG 37 2HD ARG 37 5.573 5.863 7.177 315 HE ARG 37 HE ARG 37 7.193 5.602 8.837 316 1HH1 ARG 37 2HH2 ARG 37 7.142 8.973 7.828 317 2HH1 ARG 37 1HH2 ARG 37 8.271 9.485 9.039 318 1HH2 ARG 37 2HH1 ARG 37 8.682 6.277 10.434 319 2HH2 ARG 37 1HH1 ARG 37 9.152 7.941 10.531 320 H VAL 38 H VAL 38 6.192 9.321 4.290 321 HA VAL 38 HA VAL 38 6.995 9.818 1.604 322 HB VAL 38 HB VAL 38 7.536 11.579 3.983 323 1HG1 VAL 38 1HG1 VAL 38 8.394 12.622 2.104 324 2HG1 VAL 38 2HG1 VAL 38 7.143 11.955 1.027 325 3HG1 VAL 38 3HG1 VAL 38 6.741 13.280 2.146 326 1HG2 VAL 38 1HG2 VAL 38 5.370 11.583 4.527 327 2HG2 VAL 38 2HG2 VAL 38 5.039 12.327 2.944 328 3HG2 VAL 38 3HG2 VAL 38 4.955 10.559 3.131 329 H VAL 39 H VAL 39 9.153 10.531 0.922 330 HA VAL 39 HA VAL 39 11.279 9.509 2.665 331 HB VAL 39 HB VAL 39 10.859 8.973 -0.279 332 1HG1 VAL 39 1HG1 VAL 39 13.312 9.406 0.987 333 2HG1 VAL 39 2HG1 VAL 39 13.147 7.635 0.928 334 3HG1 VAL 39 3HG1 VAL 39 13.043 8.589 -0.571 335 1HG2 VAL 39 1HG2 VAL 39 11.412 6.586 1.020 336 2HG2 VAL 39 2HG2 VAL 39 10.383 7.458 2.180 337 3HG2 VAL 39 3HG2 VAL 39 9.804 7.165 0.523 338 HA PRO 40 HA PRO 40 12.307 13.684 1.512 339 1HB PRO 40 1HB PRO 40 13.524 14.362 3.864 340 2HB PRO 40 2HB PRO 40 11.816 14.614 3.561 341 1HG PRO 40 1HG PRO 40 13.117 12.552 5.232 342 2HG PRO 40 2HG PRO 40 11.448 13.086 5.249 343 1HD PRO 40 1HD PRO 40 12.463 10.665 4.095 344 2HD PRO 40 2HD PRO 40 10.815 11.255 4.011 345 H GLY 41 H GLY 41 13.630 12.703 -0.140 346 1HA GLY 41 1HA GLY 41 16.435 13.052 0.595 347 2HA GLY 41 2HA GLY 41 15.953 11.462 0.037 348 H GLY 42 H GLY 42 17.495 14.078 -1.051 349 1HA GLY 42 1HA GLY 42 18.078 14.298 -3.314 350 2HA GLY 42 2HA GLY 42 16.497 13.714 -3.792 351 H CYS 43 H CYS 43 17.701 16.128 -4.805 352 HA CYS 43 HA CYS 43 16.562 18.326 -3.380 353 1HB CYS 43 1HB CYS 43 18.583 18.008 -5.308 354 2HB CYS 43 2HB CYS 43 17.331 18.925 -6.121 355 HG CYS 43 HG CYS 43 16.970 20.610 -4.044 356 H SER 44 H SER 44 15.992 16.582 -6.519 357 HA SER 44 HA SER 44 13.382 17.865 -6.599 358 1HB SER 44 1HB SER 44 13.360 17.247 -9.001 359 2HB SER 44 2HB SER 44 14.760 18.223 -8.601 360 HG SER 44 HG SER 44 15.456 16.475 -9.886 361 H GLY 45 H GLY 45 15.138 14.725 -6.758 362 1HA GLY 45 1HA GLY 45 12.997 13.028 -7.280 363 2HA GLY 45 2HA GLY 45 14.462 12.611 -6.414 364 H PHE 46 H PHE 46 11.312 12.227 -6.078 365 HA PHE 46 HA PHE 46 11.422 12.069 -3.263 366 1HB PHE 46 1HB PHE 46 10.988 14.610 -3.988 367 2HB PHE 46 2HB PHE 46 9.386 14.041 -4.417 368 HD1 PHE 46 1HD PHE 46 7.855 13.211 -2.666 369 HD2 PHE 46 2HD PHE 46 11.635 14.877 -1.692 370 HE1 PHE 46 1HE PHE 46 7.116 13.496 -0.284 371 HE2 PHE 46 2HE PHE 46 10.895 15.163 0.689 372 HZ PHE 46 HZ PHE 46 8.645 14.469 1.365 373 H GLN 47 H GLN 47 10.640 9.973 -3.405 374 HA GLN 47 HA GLN 47 7.905 9.797 -4.362 375 1HB GLN 47 1HB GLN 47 10.031 7.704 -4.988 376 2HB GLN 47 2HB GLN 47 8.357 7.673 -5.503 377 1HG GLN 47 1HG GLN 47 9.063 8.727 -7.392 378 2HG GLN 47 2HG GLN 47 9.196 10.171 -6.409 379 1HE2 GLN 47 1HE2 GLN 47 10.835 10.753 -7.965 380 2HE2 GLN 47 2HE2 GLN 47 12.467 10.209 -7.764 381 H TYR 48 H TYR 48 6.710 7.910 -3.422 382 HA TYR 48 HA TYR 48 7.648 7.450 -0.710 383 1HB TYR 48 1HB TYR 48 5.091 6.839 -2.320 384 2HB TYR 48 2HB TYR 48 5.246 6.491 -0.610 385 HD1 TYR 48 1HD TYR 48 5.465 9.335 -3.037 386 HD2 TYR 48 2HD TYR 48 4.602 8.096 0.966 387 HE1 TYR 48 1HE TYR 48 4.652 11.679 -2.479 388 HE2 TYR 48 2HE TYR 48 3.791 10.444 1.510 389 HH TYR 48 HH TYR 48 4.133 12.694 0.709 390 H ALA 49 H ALA 49 8.663 5.608 -0.101 391 HA ALA 49 HA ALA 49 8.879 3.462 -1.998 392 1HB ALA 49 1HB ALA 49 9.953 2.828 0.596 393 2HB ALA 49 2HB ALA 49 10.825 3.204 -0.910 394 3HB ALA 49 3HB ALA 49 10.363 4.515 0.202 395 H MET 50 H MET 50 8.405 1.171 -1.380 396 HA MET 50 HA MET 50 5.968 1.129 0.221 397 1HB MET 50 1HB MET 50 6.968 -0.598 -2.104 398 2HB MET 50 2HB MET 50 5.575 -1.053 -1.143 399 1HG MET 50 1HG MET 50 4.471 1.128 -1.730 400 2HG MET 50 2HG MET 50 5.856 1.555 -2.715 401 1HE MET 50 1HE MET 50 2.551 0.943 -4.191 402 2HE MET 50 2HE MET 50 2.261 -0.733 -3.668 403 3HE MET 50 3HE MET 50 2.680 0.514 -2.469 404 H GLY 51 H GLY 51 5.560 -1.325 1.046 405 1HA GLY 51 1HA GLY 51 7.814 -2.891 1.710 406 2HA GLY 51 2HA GLY 51 7.443 -1.816 3.044 407 H PHE 52 H PHE 52 7.064 -4.089 4.047 408 HA PHE 52 HA PHE 52 4.208 -4.637 3.792 409 1HB PHE 52 1HB PHE 52 5.106 -7.138 4.176 410 2HB PHE 52 2HB PHE 52 5.083 -6.473 2.555 411 HD1 PHE 52 1HD PHE 52 7.246 -5.396 1.688 412 HD2 PHE 52 2HD PHE 52 7.110 -7.895 5.115 413 HE1 PHE 52 1HE PHE 52 9.712 -5.814 1.481 414 HE2 PHE 52 2HE PHE 52 9.576 -8.312 4.909 415 HZ PHE 52 HZ PHE 52 10.848 -7.267 3.094 416 H ASP 53 H ASP 53 3.220 -4.674 5.761 417 HA ASP 53 HA ASP 53 4.964 -5.184 8.041 418 1HB ASP 53 1HB ASP 53 2.601 -3.255 7.870 419 2HB ASP 53 2HB ASP 53 3.507 -3.592 9.331 420 H ASP 54 H ASP 54 3.389 -5.690 10.085 421 HA ASP 54 HA ASP 54 1.216 -7.350 9.071 422 1HB ASP 54 1HB ASP 54 3.450 -7.946 10.983 423 2HB ASP 54 2HB ASP 54 1.878 -8.588 11.417 424 H THR 55 H THR 55 2.678 -5.532 11.847 425 HA THR 55 HA THR 55 0.336 -5.575 13.446 426 HB THR 55 HB THR 55 2.652 -5.282 14.328 427 HG1 THR 55 1HG THR 55 1.043 -4.318 15.625 428 1HG2 THR 55 1HG2 THR 55 3.612 -2.912 14.112 429 2HG2 THR 55 2HG2 THR 55 3.736 -3.898 12.636 430 3HG2 THR 55 3HG2 THR 55 2.470 -2.654 12.772 431 H VAL 56 H VAL 56 -0.434 -3.207 14.261 432 HA VAL 56 HA VAL 56 -0.950 -1.564 11.911 433 HB VAL 56 HB VAL 56 -2.874 -3.303 13.274 434 1HG1 VAL 56 1HG1 VAL 56 -3.518 -0.364 12.884 435 2HG1 VAL 56 2HG1 VAL 56 -4.748 -1.636 13.075 436 3HG1 VAL 56 3HG1 VAL 56 -3.597 -1.306 14.392 437 1HG2 VAL 56 1HG2 VAL 56 -2.166 -2.922 10.722 438 2HG2 VAL 56 2HG2 VAL 56 -3.792 -3.476 11.189 439 3HG2 VAL 56 3HG2 VAL 56 -3.514 -1.762 10.799 440 H GLU 57 H GLU 57 -1.701 0.619 12.493 441 HA GLU 57 HA GLU 57 -0.519 1.367 15.003 442 1HB GLU 57 1HB GLU 57 -1.756 3.215 12.927 443 2HB GLU 57 2HB GLU 57 -0.576 3.628 14.155 444 1HG GLU 57 1HG GLU 57 0.365 1.419 12.450 445 2HG GLU 57 2HG GLU 57 -0.033 2.838 11.502 446 H GLU 58 H GLU 58 -1.751 3.287 16.205 447 HA GLU 58 HA GLU 58 -4.292 2.167 16.881 448 1HB GLU 58 1HB GLU 58 -2.438 3.170 18.464 449 2HB GLU 58 2HB GLU 58 -3.158 4.716 18.060 450 1HG GLU 58 1HG GLU 58 -5.442 3.484 18.670 451 2HG GLU 58 2HG GLU 58 -4.392 2.382 19.539 452 H GLY 59 H GLY 59 -4.293 3.126 14.220 453 1HA GLY 59 1HA GLY 59 -6.492 4.285 13.638 454 2HA GLY 59 2HA GLY 59 -5.748 5.686 14.383 455 H ASP 60 H ASP 60 -4.956 3.106 11.941 456 HA ASP 60 HA ASP 60 -3.493 5.161 10.494 457 1HB ASP 60 1HB ASP 60 -2.633 2.691 11.231 458 2HB ASP 60 2HB ASP 60 -3.379 2.260 9.705 459 H HIS 61 H HIS 61 -4.033 5.534 8.248 460 HA HIS 61 HA HIS 61 -6.696 5.015 7.554 461 1HB HIS 61 1HB HIS 61 -4.423 6.495 6.509 462 2HB HIS 61 2HB HIS 61 -5.309 5.713 5.215 463 HD1 HIS 61 1HD HIS 61 -8.005 6.252 5.183 464 HD2 HIS 61 2HD HIS 61 -5.569 8.817 7.438 465 HE1 HIS 61 1HE HIS 61 -9.368 8.374 5.572 466 H VAL 62 H VAL 62 -6.895 2.682 7.790 467 HA VAL 62 HA VAL 62 -5.320 0.996 6.101 468 HB VAL 62 HB VAL 62 -6.586 0.635 8.427 469 1HG1 VAL 62 1HG1 VAL 62 -8.528 -0.444 6.355 470 2HG1 VAL 62 2HG1 VAL 62 -8.585 -0.770 8.104 471 3HG1 VAL 62 3HG1 VAL 62 -8.836 0.885 7.498 472 1HG2 VAL 62 1HG2 VAL 62 -5.082 -1.014 7.904 473 2HG2 VAL 62 2HG2 VAL 62 -6.598 -1.917 7.672 474 3HG2 VAL 62 3HG2 VAL 62 -5.736 -1.250 6.265 475 H PHE 63 H PHE 63 -5.603 0.850 3.941 476 HA PHE 63 HA PHE 63 -8.345 1.215 2.954 477 1HB PHE 63 1HB PHE 63 -6.186 2.799 2.447 478 2HB PHE 63 2HB PHE 63 -5.819 1.537 1.287 479 HD1 PHE 63 1HD PHE 63 -9.149 2.896 2.243 480 HD2 PHE 63 2HD PHE 63 -6.187 2.554 -0.776 481 HE1 PHE 63 1HE PHE 63 -10.710 3.960 0.591 482 HE2 PHE 63 2HE PHE 63 -7.748 3.618 -2.428 483 HZ PHE 63 HZ PHE 63 -9.991 4.309 -1.725 484 H GLU 64 H GLU 64 -9.253 -0.595 2.108 485 HA GLU 64 HA GLU 64 -7.772 -2.938 1.855 486 1HB GLU 64 1HB GLU 64 -10.516 -2.233 0.723 487 2HB GLU 64 2HB GLU 64 -9.869 -3.857 0.844 488 1HG GLU 64 1HG GLU 64 -9.762 -3.697 3.294 489 2HG GLU 64 2HG GLU 64 -10.214 -2.004 3.246 490 H TYR 65 H TYR 65 -6.769 -3.931 0.103 491 HA TYR 65 HA TYR 65 -6.809 -2.380 -2.397 492 1HB TYR 65 1HB TYR 65 -4.778 -3.824 -0.689 493 2HB TYR 65 2HB TYR 65 -4.574 -4.048 -2.415 494 HD1 TYR 65 1HD TYR 65 -2.481 -2.887 -2.608 495 HD2 TYR 65 2HD TYR 65 -5.879 -0.924 -0.903 496 HE1 TYR 65 1HE TYR 65 -1.272 -0.656 -2.750 497 HE2 TYR 65 2HE TYR 65 -4.658 1.301 -1.051 498 HH TYR 65 HH TYR 65 -2.634 2.227 -1.298 499 H ASP 66 H ASP 66 -5.558 -4.257 -4.059 500 HA ASP 66 HA ASP 66 -7.754 -5.846 -4.707 501 1HB ASP 66 1HB ASP 66 -5.687 -4.926 -6.123 502 2HB ASP 66 2HB ASP 66 -4.950 -6.452 -5.678 503 H GLY 67 H GLY 67 -7.862 -6.894 -2.418 504 1HA GLY 67 1HA GLY 67 -7.773 -8.845 -1.277 505 2HA GLY 67 2HA GLY 67 -6.775 -9.537 -2.540 506 H VAL 68 H VAL 68 -6.064 -6.505 -0.732 507 HA VAL 68 HA VAL 68 -4.148 -7.859 0.942 508 HB VAL 68 HB VAL 68 -3.351 -6.043 -1.327 509 1HG1 VAL 68 1HG1 VAL 68 -1.107 -5.900 -0.335 510 2HG1 VAL 68 2HG1 VAL 68 -2.331 -5.150 0.718 511 3HG1 VAL 68 3HG1 VAL 68 -1.686 -6.762 1.110 512 1HG2 VAL 68 1HG2 VAL 68 -1.553 -7.925 -1.474 513 2HG2 VAL 68 2HG2 VAL 68 -2.690 -8.854 -0.467 514 3HG2 VAL 68 3HG2 VAL 68 -3.202 -8.248 -2.061 515 H LYS 69 H LYS 69 -3.155 -6.284 2.521 516 HA LYS 69 HA LYS 69 -5.113 -4.172 3.046 517 1HB LYS 69 1HB LYS 69 -3.875 -6.188 4.676 518 2HB LYS 69 2HB LYS 69 -3.405 -4.612 5.279 519 1HG LYS 69 1HG LYS 69 -6.000 -4.053 4.927 520 2HG LYS 69 2HG LYS 69 -6.175 -5.794 5.017 521 1HD LYS 69 1HD LYS 69 -4.703 -5.617 7.187 522 2HD LYS 69 2HD LYS 69 -5.084 -3.907 7.134 523 1HE LYS 69 1HE LYS 69 -7.331 -4.240 7.636 524 2HE LYS 69 2HE LYS 69 -7.403 -5.786 6.813 525 1HZ LYS 69 1HZ LYS 69 -6.542 -6.858 8.615 526 2HZ LYS 69 2HZ LYS 69 -5.782 -5.544 9.218 527 3HZ LYS 69 3HZ LYS 69 -7.402 -5.689 9.363 528 H VAL 70 H VAL 70 -4.410 -2.039 3.599 529 HA VAL 70 HA VAL 70 -1.582 -1.484 3.259 530 HB VAL 70 HB VAL 70 -3.764 -0.456 1.448 531 1HG1 VAL 70 1HG1 VAL 70 -2.092 1.114 0.518 532 2HG1 VAL 70 2HG1 VAL 70 -2.497 1.481 2.212 533 3HG1 VAL 70 3HG1 VAL 70 -0.965 0.664 1.820 534 1HG2 VAL 70 1HG2 VAL 70 -1.423 -2.250 1.174 535 2HG2 VAL 70 2HG2 VAL 70 -2.948 -2.198 0.258 536 3HG2 VAL 70 3HG2 VAL 70 -1.636 -1.061 -0.134 537 H VAL 71 H VAL 71 -1.056 0.771 3.949 538 HA VAL 71 HA VAL 71 -3.168 2.094 5.435 539 HB VAL 71 HB VAL 71 -2.241 1.909 7.520 540 1HG1 VAL 71 1HG1 VAL 71 -1.578 -0.707 6.133 541 2HG1 VAL 71 2HG1 VAL 71 -1.616 -0.489 7.899 542 3HG1 VAL 71 3HG1 VAL 71 -3.100 -0.264 6.942 543 1HG2 VAL 71 1HG2 VAL 71 0.090 1.222 7.995 544 2HG2 VAL 71 2HG2 VAL 71 0.393 1.093 6.245 545 3HG2 VAL 71 3HG2 VAL 71 0.006 2.673 6.968 546 H ILE 72 H ILE 72 -2.568 4.316 6.025 547 HA ILE 72 HA ILE 72 -0.097 5.273 4.838 548 HB ILE 72 HB ILE 72 -2.696 6.572 4.071 549 1HG1 ILE 72 1HG1 ILE 72 -1.207 4.515 2.416 550 2HG1 ILE 72 2HG1 ILE 72 -2.681 4.187 3.304 551 1HG2 ILE 72 1HG2 ILE 72 -0.961 8.074 3.725 552 2HG2 ILE 72 2HG2 ILE 72 0.182 6.803 3.227 553 3HG2 ILE 72 3HG2 ILE 72 -1.135 7.294 2.134 554 1HD1 ILE 72 1HD1 ILE 72 -2.944 6.617 1.677 555 2HD1 ILE 72 2HD1 ILE 72 -2.507 5.201 0.691 556 3HD1 ILE 72 3HD1 ILE 72 -3.968 5.161 1.707 557 H ASP 73 H ASP 73 0.861 6.406 6.431 558 HA ASP 73 HA ASP 73 -0.200 7.030 8.786 559 1HB ASP 73 1HB ASP 73 2.061 7.997 7.160 560 2HB ASP 73 2HB ASP 73 1.485 9.230 8.264 561 HA PRO 74 HA PRO 74 -2.762 10.541 8.195 562 1HB PRO 74 1HB PRO 74 -2.422 11.995 10.484 563 2HB PRO 74 2HB PRO 74 -3.437 10.569 10.396 564 1HG PRO 74 1HG PRO 74 -0.758 10.864 11.609 565 2HG PRO 74 2HG PRO 74 -1.949 9.607 11.873 566 1HD PRO 74 1HD PRO 74 0.429 9.411 10.282 567 2HD PRO 74 2HD PRO 74 -0.821 8.195 10.452 568 H PHE 75 H PHE 75 0.576 11.116 8.746 569 HA PHE 75 HA PHE 75 0.388 13.877 7.998 570 1HB PHE 75 1HB PHE 75 2.506 11.782 8.636 571 2HB PHE 75 2HB PHE 75 3.028 13.256 7.844 572 HD1 PHE 75 1HD PHE 75 2.818 11.769 10.908 573 HD2 PHE 75 2HD PHE 75 1.828 15.443 9.030 574 HE1 PHE 75 1HE PHE 75 2.911 12.931 13.131 575 HE2 PHE 75 2HE PHE 75 1.920 16.604 11.253 576 HZ PHE 75 HZ PHE 75 2.461 15.334 13.277 577 H SER 76 H SER 76 0.603 10.799 6.365 578 HA SER 76 HA SER 76 1.835 11.957 4.046 579 1HB SER 76 1HB SER 76 1.040 9.211 4.948 580 2HB SER 76 2HB SER 76 1.062 9.485 3.217 581 HG SER 76 HG SER 76 3.148 8.938 3.556 582 H MET 77 H MET 77 -1.328 11.521 5.410 583 HA MET 77 HA MET 77 -2.851 11.091 3.171 584 1HB MET 77 1HB MET 77 -3.209 11.784 5.929 585 2HB MET 77 2HB MET 77 -4.105 12.991 5.028 586 1HG MET 77 1HG MET 77 -4.400 10.035 4.373 587 2HG MET 77 2HG MET 77 -5.322 10.758 5.676 588 1HE MET 77 1HE MET 77 -4.406 10.958 1.893 589 2HE MET 77 2HE MET 77 -5.590 9.676 2.240 590 3HE MET 77 3HE MET 77 -6.056 11.070 1.236 591 HA PRO 78 HA PRO 78 -2.961 15.802 2.627 592 1HB PRO 78 1HB PRO 78 -1.297 17.394 4.098 593 2HB PRO 78 2HB PRO 78 -2.961 17.075 4.545 594 1HG PRO 78 1HG PRO 78 -0.482 15.979 5.725 595 2HG PRO 78 2HG PRO 78 -2.097 16.017 6.404 596 1HD PRO 78 1HD PRO 78 -0.776 13.752 5.242 597 2HD PRO 78 2HD PRO 78 -2.431 13.820 5.814 598 H TYR 79 H TYR 79 -0.516 13.738 2.441 599 HA TYR 79 HA TYR 79 1.135 15.568 0.851 600 1HB TYR 79 1HB TYR 79 1.520 13.395 2.750 601 2HB TYR 79 2HB TYR 79 2.112 12.827 1.201 602 HD1 TYR 79 1HD TYR 79 3.180 14.207 4.137 603 HD2 TYR 79 2HD TYR 79 3.507 14.893 -0.073 604 HE1 TYR 79 1HE TYR 79 5.361 15.463 4.503 605 HE2 TYR 79 2HE TYR 79 5.687 16.146 0.307 606 HH TYR 79 HH TYR 79 7.486 16.139 2.036 607 H VAL 80 H VAL 80 -0.550 12.370 0.803 608 HA VAL 80 HA VAL 80 -0.403 12.515 -2.129 609 HB VAL 80 HB VAL 80 -0.275 10.097 -2.173 610 1HG1 VAL 80 1HG1 VAL 80 1.938 10.360 -2.181 611 2HG1 VAL 80 2HG1 VAL 80 1.772 11.849 -1.219 612 3HG1 VAL 80 3HG1 VAL 80 1.960 10.278 -0.403 613 1HG2 VAL 80 1HG2 VAL 80 -0.710 10.384 0.763 614 2HG2 VAL 80 2HG2 VAL 80 -1.293 9.141 -0.370 615 3HG2 VAL 80 3HG2 VAL 80 0.385 9.088 0.223 616 H ASN 81 H ASN 81 -2.430 13.868 -0.910 617 HA ASN 81 HA ASN 81 -4.619 12.141 -0.410 618 1HB ASN 81 1HB ASN 81 -5.918 14.352 -0.408 619 2HB ASN 81 2HB ASN 81 -4.591 14.281 0.735 620 1HD2 ASN 81 1HD2 ASN 81 -5.912 15.784 -2.038 621 2HD2 ASN 81 2HD2 ASN 81 -4.677 16.962 -2.334 622 H GLY 82 H GLY 82 -5.289 10.967 -2.256 623 1HA GLY 82 1HA GLY 82 -6.588 10.802 -4.145 624 2HA GLY 82 2HA GLY 82 -6.373 12.510 -4.469 625 H ALA 83 H ALA 83 -3.334 12.194 -3.975 626 HA ALA 83 HA ALA 83 -2.562 11.976 -6.619 627 1HB ALA 83 1HB ALA 83 -0.400 12.275 -5.792 628 2HB ALA 83 2HB ALA 83 -1.389 12.925 -4.462 629 3HB ALA 83 3HB ALA 83 -0.705 11.286 -4.344 630 H GLU 84 H GLU 84 -0.677 10.264 -7.217 631 HA GLU 84 HA GLU 84 -1.646 7.640 -6.416 632 1HB GLU 84 1HB GLU 84 -1.399 6.876 -8.795 633 2HB GLU 84 2HB GLU 84 -2.674 8.059 -8.577 634 1HG GLU 84 1HG GLU 84 -1.319 9.841 -9.489 635 2HG GLU 84 2HG GLU 84 0.144 8.881 -9.391 636 H LEU 85 H LEU 85 -0.019 5.882 -6.770 637 HA LEU 85 HA LEU 85 2.700 6.902 -7.101 638 1HB LEU 85 1HB LEU 85 3.082 6.756 -4.936 639 2HB LEU 85 2HB LEU 85 1.506 6.051 -4.632 640 HG LEU 85 HG LEU 85 2.388 3.810 -5.100 641 1HD1 LEU 85 1HD1 LEU 85 5.126 3.974 -5.049 642 2HD1 LEU 85 2HD1 LEU 85 4.130 3.695 -6.497 643 3HD1 LEU 85 3HD1 LEU 85 4.683 5.340 -6.101 644 1HD2 LEU 85 1HD2 LEU 85 3.759 3.558 -3.110 645 2HD2 LEU 85 2HD2 LEU 85 4.076 5.309 -3.079 646 3HD2 LEU 85 3HD2 LEU 85 2.426 4.698 -2.807 647 H ASP 86 H ASP 86 3.360 5.884 -8.923 648 HA ASP 86 HA ASP 86 2.397 3.195 -9.351 649 1HB ASP 86 1HB ASP 86 2.427 5.087 -11.135 650 2HB ASP 86 2HB ASP 86 4.163 4.856 -11.196 651 H TYR 87 H TYR 87 3.752 1.443 -8.903 652 HA TYR 87 HA TYR 87 6.460 2.002 -8.069 653 1HB TYR 87 1HB TYR 87 4.466 0.317 -7.248 654 2HB TYR 87 2HB TYR 87 5.191 -0.742 -8.442 655 HD1 TYR 87 1HD TYR 87 6.879 -2.186 -7.759 656 HD2 TYR 87 2HD TYR 87 6.210 1.408 -5.537 657 HE1 TYR 87 1HE TYR 87 8.620 -2.908 -6.053 658 HE2 TYR 87 2HE TYR 87 7.953 0.674 -3.838 659 HH TYR 87 HH TYR 87 9.312 -0.882 -3.216 660 H VAL 88 H VAL 88 8.347 1.391 -9.114 661 HA VAL 88 HA VAL 88 7.982 0.577 -11.887 662 HB VAL 88 HB VAL 88 10.318 1.701 -10.333 663 1HG1 VAL 88 1HG1 VAL 88 11.294 1.946 -12.719 664 2HG1 VAL 88 2HG1 VAL 88 11.377 0.354 -11.927 665 3HG1 VAL 88 3HG1 VAL 88 10.135 0.669 -13.163 666 1HG2 VAL 88 1HG2 VAL 88 8.372 2.851 -12.339 667 2HG2 VAL 88 2HG2 VAL 88 8.783 3.443 -10.712 668 3HG2 VAL 88 3HG2 VAL 88 9.961 3.594 -12.038 669 H VAL 89 H VAL 89 8.923 -1.298 -12.773 670 HA VAL 89 HA VAL 89 10.119 -3.116 -10.804 671 HB VAL 89 HB VAL 89 8.157 -3.907 -12.960 672 1HG1 VAL 89 1HG1 VAL 89 9.494 -5.397 -10.688 673 2HG1 VAL 89 2HG1 VAL 89 8.053 -6.012 -11.533 674 3HG1 VAL 89 3HG1 VAL 89 9.566 -5.744 -12.432 675 1HG2 VAL 89 1HG2 VAL 89 6.462 -3.305 -11.645 676 2HG2 VAL 89 2HG2 VAL 89 7.100 -4.327 -10.336 677 3HG2 VAL 89 3HG2 VAL 89 7.613 -2.628 -10.468 678 H ASP 90 H ASP 90 12.210 -3.355 -11.403 679 HA ASP 90 HA ASP 90 12.760 -4.316 -13.993 680 1HB ASP 90 1HB ASP 90 14.071 -1.664 -13.267 681 2HB ASP 90 2HB ASP 90 14.189 -2.523 -14.790 682 H PHE 91 H PHE 91 15.617 -3.167 -13.764 683 HA PHE 91 HA PHE 91 16.761 -5.203 -12.295 684 1HB PHE 91 1HB PHE 91 17.573 -3.293 -14.062 685 2HB PHE 91 2HB PHE 91 18.057 -2.466 -12.594 686 HD1 PHE 91 1HD PHE 91 20.126 -2.929 -11.638 687 HD2 PHE 91 2HD PHE 91 18.454 -5.719 -14.363 688 HE1 PHE 91 1HE PHE 91 22.262 -4.246 -11.600 689 HE2 PHE 91 2HE PHE 91 20.590 -7.037 -14.324 690 HZ PHE 91 HZ PHE 91 22.469 -6.284 -12.944 691 H MET 92 H MET 92 15.162 -2.357 -11.176 692 HA MET 92 HA MET 92 16.745 -2.038 -8.839 693 1HB MET 92 1HB MET 92 14.545 -0.698 -10.216 694 2HB MET 92 2HB MET 92 14.118 -0.887 -8.527 695 1HG MET 92 1HG MET 92 15.981 0.386 -7.774 696 2HG MET 92 2HG MET 92 16.873 0.148 -9.263 697 1HE MET 92 1HE MET 92 16.655 2.485 -7.724 698 2HE MET 92 2HE MET 92 16.735 3.622 -9.091 699 3HE MET 92 3HE MET 92 15.348 3.666 -7.977 700 H GLY 93 H GLY 93 14.830 -4.544 -9.752 701 1HA GLY 93 1HA GLY 93 13.741 -6.183 -8.668 702 2HA GLY 93 2HA GLY 93 14.591 -5.675 -7.223 703 H GLY 94 H GLY 94 12.492 -3.402 -8.976 704 1HA GLY 94 1HA GLY 94 10.222 -2.975 -8.575 705 2HA GLY 94 2HA GLY 94 10.308 -3.860 -7.065 706 H GLY 95 H GLY 95 10.905 -0.773 -8.691 707 1HA GLY 95 1HA GLY 95 11.853 0.434 -6.182 708 2HA GLY 95 2HA GLY 95 11.962 1.124 -7.789 709 H PHE 96 H PHE 96 11.004 3.052 -6.576 710 HA PHE 96 HA PHE 96 8.081 2.805 -6.638 711 1HB PHE 96 1HB PHE 96 8.391 4.716 -4.790 712 2HB PHE 96 2HB PHE 96 8.557 3.038 -4.313 713 HD1 PHE 96 1HD PHE 96 10.636 5.870 -5.575 714 HD2 PHE 96 2HD PHE 96 10.440 2.406 -3.132 715 HE1 PHE 96 1HE PHE 96 12.948 6.343 -4.720 716 HE2 PHE 96 2HE PHE 96 12.752 2.878 -2.277 717 HZ PHE 96 HZ PHE 96 13.979 4.841 -3.081 718 H THR 97 H THR 97 6.930 4.671 -7.387 719 HA THR 97 HA THR 97 8.440 6.994 -8.190 720 HB THR 97 HB THR 97 7.368 4.924 -10.151 721 HG1 THR 97 1HG THR 97 9.642 4.955 -9.591 722 1HG2 THR 97 1HG2 THR 97 8.073 6.833 -11.846 723 2HG2 THR 97 2HG2 THR 97 6.430 6.862 -11.160 724 3HG2 THR 97 3HG2 THR 97 7.692 7.928 -10.495 725 H ILE 98 H ILE 98 7.159 8.822 -8.494 726 HA ILE 98 HA ILE 98 4.351 8.373 -7.767 727 HB ILE 98 HB ILE 98 6.228 10.668 -7.223 728 1HG1 ILE 98 1HG1 ILE 98 6.291 8.595 -5.769 729 2HG1 ILE 98 2HG1 ILE 98 6.008 10.115 -4.944 730 1HG2 ILE 98 1HG2 ILE 98 3.896 11.383 -7.945 731 2HG2 ILE 98 2HG2 ILE 98 3.306 10.595 -6.462 732 3HG2 ILE 98 3HG2 ILE 98 4.454 11.951 -6.353 733 1HD1 ILE 98 1HD1 ILE 98 4.490 8.072 -4.345 734 2HD1 ILE 98 2HD1 ILE 98 3.712 9.654 -4.587 735 3HD1 ILE 98 3HD1 ILE 98 3.664 8.432 -5.880 736 H ARG 99 H ARG 99 2.711 9.284 -9.014 737 HA ARG 99 HA ARG 99 3.663 10.685 -11.380 738 1HB ARG 99 1HB ARG 99 1.781 8.334 -11.134 739 2HB ARG 99 2HB ARG 99 1.448 9.511 -12.390 740 1HG ARG 99 1HG ARG 99 4.224 9.081 -12.602 741 2HG ARG 99 2HG ARG 99 3.585 7.488 -12.248 742 1HD ARG 99 1HD ARG 99 1.756 8.316 -14.120 743 2HD ARG 99 2HD ARG 99 3.163 9.209 -14.663 744 HE ARG 99 HE ARG 99 3.861 6.456 -14.088 745 1HH1 ARG 99 2HH2 ARG 99 2.300 8.496 -16.494 746 2HH1 ARG 99 1HH2 ARG 99 2.630 7.418 -17.809 747 1HH2 ARG 99 2HH1 ARG 99 4.297 5.034 -15.822 748 2HH2 ARG 99 1HH1 ARG 99 3.774 5.435 -17.424 749 H ASN 100 H ASN 100 3.048 12.785 -10.754 750 HA ASN 100 HA ASN 100 0.818 13.359 -9.256 751 1HB ASN 100 1HB ASN 100 2.138 15.149 -11.363 752 2HB ASN 100 2HB ASN 100 1.171 15.702 -10.011 753 1HD2 ASN 100 1HD2 ASN 100 1.934 15.419 -7.873 754 2HD2 ASN 100 2HD2 ASN 100 3.625 15.286 -7.519 755 HA PRO 101 HA PRO 101 -2.139 12.769 -12.510 756 1HB PRO 101 1HB PRO 101 -4.396 13.039 -10.993 757 2HB PRO 101 2HB PRO 101 -3.534 11.523 -11.166 758 1HG PRO 101 1HG PRO 101 -3.586 13.372 -8.860 759 2HG PRO 101 2HG PRO 101 -3.098 11.690 -8.908 760 1HD PRO 101 1HD PRO 101 -1.369 13.976 -8.800 761 2HD PRO 101 2HD PRO 101 -0.882 12.301 -8.964 Start of MODEL 4 1 H MET 1 H MET 1 -19.135 -2.717 17.077 2 HA MET 1 HA MET 1 -16.984 -4.140 18.238 3 1HB MET 1 1HB MET 1 -17.835 -3.193 15.497 4 2HB MET 1 2HB MET 1 -16.138 -3.586 15.695 5 1HG MET 1 1HG MET 1 -18.065 -5.584 16.824 6 2HG MET 1 2HG MET 1 -18.061 -5.441 15.078 7 1HE MET 1 1HE MET 1 -16.511 -6.539 18.192 8 2HE MET 1 2HE MET 1 -14.897 -7.180 17.802 9 3HE MET 1 3HE MET 1 -15.137 -5.426 17.988 10 H GLN 2 H GLN 2 -14.620 -3.420 17.318 11 HA GLN 2 HA GLN 2 -14.369 -0.559 17.763 12 1HB GLN 2 1HB GLN 2 -13.380 -2.718 19.496 13 2HB GLN 2 2HB GLN 2 -12.081 -1.671 18.961 14 1HG GLN 2 1HG GLN 2 -13.056 0.264 19.935 15 2HG GLN 2 2HG GLN 2 -14.657 -0.446 19.987 16 1HE2 GLN 2 1HE2 GLN 2 -12.495 0.661 21.942 17 2HE2 GLN 2 2HE2 GLN 2 -12.528 -0.447 23.272 18 H GLU 3 H GLU 3 -14.044 -0.341 15.467 19 HA GLU 3 HA GLU 3 -11.353 -1.052 14.722 20 1HB GLU 3 1HB GLU 3 -12.978 -2.895 13.934 21 2HB GLU 3 2HB GLU 3 -13.655 -1.703 12.842 22 1HG GLU 3 1HG GLU 3 -12.035 -2.374 11.383 23 2HG GLU 3 2HG GLU 3 -10.946 -1.402 12.351 24 H GLN 4 H GLN 4 -10.381 0.570 13.511 25 HA GLN 4 HA GLN 4 -11.916 2.938 13.190 26 1HB GLN 4 1HB GLN 4 -9.025 2.159 12.821 27 2HB GLN 4 2HB GLN 4 -9.588 3.648 12.089 28 1HG GLN 4 1HG GLN 4 -10.158 4.620 14.183 29 2HG GLN 4 2HG GLN 4 -10.235 3.069 14.994 30 1HE2 GLN 4 1HE2 GLN 4 -8.583 2.479 16.175 31 2HE2 GLN 4 2HE2 GLN 4 -6.965 3.093 16.095 32 H ALA 5 H ALA 5 -13.528 2.169 11.622 33 HA ALA 5 HA ALA 5 -12.653 1.264 9.063 34 1HB ALA 5 1HB ALA 5 -15.367 2.298 9.139 35 2HB ALA 5 2HB ALA 5 -14.804 0.620 8.953 36 3HB ALA 5 3HB ALA 5 -15.037 1.305 10.579 37 H GLN 6 H GLN 6 -11.910 2.493 7.410 38 HA GLN 6 HA GLN 6 -13.090 4.869 6.667 39 1HB GLN 6 1HB GLN 6 -12.025 5.760 8.747 40 2HB GLN 6 2HB GLN 6 -10.453 5.272 8.147 41 1HG GLN 6 1HG GLN 6 -10.390 6.942 6.516 42 2HG GLN 6 2HG GLN 6 -12.132 6.985 6.332 43 1HE2 GLN 6 1HE2 GLN 6 -13.222 8.558 7.248 44 2HE2 GLN 6 2HE2 GLN 6 -12.659 9.632 8.485 45 H GLN 7 H GLN 7 -12.561 5.200 4.523 46 HA GLN 7 HA GLN 7 -10.106 3.894 3.637 47 1HB GLN 7 1HB GLN 7 -12.028 2.595 2.872 48 2HB GLN 7 2HB GLN 7 -12.815 4.031 2.247 49 1HG GLN 7 1HG GLN 7 -10.580 4.283 0.818 50 2HG GLN 7 2HG GLN 7 -10.393 2.574 1.161 51 1HE2 GLN 7 1HE2 GLN 7 -11.907 1.083 0.418 52 2HE2 GLN 7 2HE2 GLN 7 -13.003 1.425 -0.879 53 H PHE 8 H PHE 8 -8.670 5.539 3.248 54 HA PHE 8 HA PHE 8 -9.575 8.122 2.478 55 1HB PHE 8 1HB PHE 8 -7.194 6.717 3.403 56 2HB PHE 8 2HB PHE 8 -6.754 7.599 1.955 57 HD1 PHE 8 1HD PHE 8 -8.632 9.959 2.335 58 HD2 PHE 8 2HD PHE 8 -6.010 7.967 5.013 59 HE1 PHE 8 1HE PHE 8 -8.411 12.063 3.685 60 HE2 PHE 8 2HE PHE 8 -5.790 10.072 6.362 61 HZ PHE 8 HZ PHE 8 -6.993 12.095 5.682 62 H ILE 9 H ILE 9 -8.797 9.279 0.499 63 HA ILE 9 HA ILE 9 -9.356 7.686 -1.797 64 HB ILE 9 HB ILE 9 -8.457 10.560 -1.575 65 1HG1 ILE 9 1HG1 ILE 9 -10.508 10.051 -0.260 66 2HG1 ILE 9 2HG1 ILE 9 -10.765 11.189 -1.568 67 1HG2 ILE 9 1HG2 ILE 9 -8.331 10.474 -3.792 68 2HG2 ILE 9 2HG2 ILE 9 -9.007 8.828 -3.838 69 3HG2 ILE 9 3HG2 ILE 9 -10.095 10.236 -3.808 70 1HD1 ILE 9 1HD1 ILE 9 -11.224 8.719 -2.799 71 2HD1 ILE 9 2HD1 ILE 9 -11.914 8.508 -1.172 72 3HD1 ILE 9 3HD1 ILE 9 -12.476 9.839 -2.211 73 H PHE 10 H PHE 10 -7.897 6.298 -2.638 74 HA PHE 10 HA PHE 10 -5.316 7.311 -3.345 75 1HB PHE 10 1HB PHE 10 -5.317 6.442 -0.847 76 2HB PHE 10 2HB PHE 10 -5.548 4.846 -1.533 77 HD1 PHE 10 1HD PHE 10 -3.770 3.834 -2.936 78 HD2 PHE 10 2HD PHE 10 -3.184 7.521 -0.918 79 HE1 PHE 10 1HE PHE 10 -1.288 3.603 -3.234 80 HE2 PHE 10 2HE PHE 10 -0.702 7.290 -1.217 81 HZ PHE 10 HZ PHE 10 0.216 5.334 -2.371 82 H LYS 11 H LYS 11 -4.500 6.230 -5.137 83 HA LYS 11 HA LYS 11 -5.747 3.672 -5.803 84 1HB LYS 11 1HB LYS 11 -5.631 6.097 -7.618 85 2HB LYS 11 2HB LYS 11 -5.977 4.472 -8.175 86 1HG LYS 11 1HG LYS 11 -7.574 5.666 -5.885 87 2HG LYS 11 2HG LYS 11 -7.975 6.074 -7.542 88 1HD LYS 11 1HD LYS 11 -8.481 3.797 -8.105 89 2HD LYS 11 2HD LYS 11 -7.668 3.173 -6.684 90 1HE LYS 11 1HE LYS 11 -9.418 4.408 -5.265 91 2HE LYS 11 2HE LYS 11 -10.280 4.751 -6.752 92 1HZ LYS 11 1HZ LYS 11 -10.944 2.698 -5.536 93 2HZ LYS 11 2HZ LYS 11 -10.611 2.483 -7.120 94 3HZ LYS 11 3HZ LYS 11 -9.527 2.024 -5.987 95 H VAL 12 H VAL 12 -4.172 2.198 -6.099 96 HA VAL 12 HA VAL 12 -1.590 3.215 -7.069 97 HB VAL 12 HB VAL 12 -2.010 2.205 -4.635 98 1HG1 VAL 12 1HG1 VAL 12 -1.578 -0.124 -4.455 99 2HG1 VAL 12 2HG1 VAL 12 -2.858 0.046 -5.680 100 3HG1 VAL 12 3HG1 VAL 12 -1.179 -0.261 -6.185 101 1HG2 VAL 12 1HG2 VAL 12 0.371 1.660 -4.549 102 2HG2 VAL 12 2HG2 VAL 12 0.436 1.583 -6.326 103 3HG2 VAL 12 3HG2 VAL 12 0.102 3.131 -5.514 104 H THR 13 H THR 13 -0.706 2.239 -8.865 105 HA THR 13 HA THR 13 -2.360 0.809 -10.575 106 HB THR 13 HB THR 13 -0.317 0.616 -11.919 107 HG1 THR 13 1HG THR 13 0.845 1.169 -9.281 108 1HG2 THR 13 1HG2 THR 13 -1.159 3.067 -10.913 109 2HG2 THR 13 2HG2 THR 13 0.548 3.032 -10.409 110 3HG2 THR 13 3HG2 THR 13 0.125 2.869 -12.130 111 H ASP 14 H ASP 14 -2.209 -1.392 -11.390 112 HA ASP 14 HA ASP 14 -2.385 -3.204 -9.318 113 1HB ASP 14 1HB ASP 14 -2.364 -3.279 -12.301 114 2HB ASP 14 2HB ASP 14 -1.908 -4.787 -11.534 115 H LYS 15 H LYS 15 0.312 -1.996 -11.246 116 HA LYS 15 HA LYS 15 2.046 -4.187 -11.007 117 1HB LYS 15 1HB LYS 15 2.051 -1.776 -12.329 118 2HB LYS 15 2HB LYS 15 3.273 -1.509 -11.102 119 1HG LYS 15 1HG LYS 15 4.427 -2.472 -12.978 120 2HG LYS 15 2HG LYS 15 4.319 -3.745 -11.778 121 1HD LYS 15 1HD LYS 15 2.899 -5.023 -13.060 122 2HD LYS 15 2HD LYS 15 1.993 -3.635 -13.629 123 1HE LYS 15 1HE LYS 15 3.387 -3.287 -15.460 124 2HE LYS 15 2HE LYS 15 4.815 -3.869 -14.626 125 1HZ LYS 15 1HZ LYS 15 3.940 -6.103 -14.824 126 2HZ LYS 15 2HZ LYS 15 2.619 -5.556 -15.613 127 3HZ LYS 15 3HZ LYS 15 4.096 -5.412 -16.295 128 H ALA 16 H ALA 16 1.366 -1.332 -8.924 129 HA ALA 16 HA ALA 16 3.451 -1.945 -7.094 130 1HB ALA 16 1HB ALA 16 1.094 -0.071 -7.218 131 2HB ALA 16 2HB ALA 16 1.940 -0.311 -5.671 132 3HB ALA 16 3HB ALA 16 2.830 0.299 -7.086 133 H VAL 17 H VAL 17 -0.153 -2.384 -7.100 134 HA VAL 17 HA VAL 17 -0.269 -3.648 -4.620 135 HB VAL 17 HB VAL 17 -1.992 -3.271 -6.987 136 1HG1 VAL 17 1HG1 VAL 17 -3.710 -4.870 -5.857 137 2HG1 VAL 17 2HG1 VAL 17 -2.461 -5.552 -6.927 138 3HG1 VAL 17 3HG1 VAL 17 -2.270 -5.651 -5.160 139 1HG2 VAL 17 1HG2 VAL 17 -3.175 -2.004 -5.557 140 2HG2 VAL 17 2HG2 VAL 17 -3.182 -3.265 -4.301 141 3HG2 VAL 17 3HG2 VAL 17 -1.782 -2.177 -4.462 142 H GLU 18 H GLU 18 0.119 -4.942 -7.974 143 HA GLU 18 HA GLU 18 0.156 -7.610 -7.054 144 1HB GLU 18 1HB GLU 18 0.466 -8.204 -9.326 145 2HB GLU 18 2HB GLU 18 -0.479 -6.730 -9.399 146 1HG GLU 18 1HG GLU 18 1.158 -6.124 -10.910 147 2HG GLU 18 2HG GLU 18 1.980 -5.605 -9.452 148 H GLU 19 H GLU 19 2.347 -5.095 -6.684 149 HA GLU 19 HA GLU 19 4.684 -6.727 -7.093 150 1HB GLU 19 1HB GLU 19 5.122 -4.543 -7.798 151 2HB GLU 19 2HB GLU 19 4.153 -3.818 -6.531 152 1HG GLU 19 1HG GLU 19 6.525 -3.416 -6.057 153 2HG GLU 19 2HG GLU 19 5.869 -4.487 -4.835 154 H ILE 20 H ILE 20 2.407 -5.957 -4.607 155 HA ILE 20 HA ILE 20 4.305 -6.397 -2.463 156 HB ILE 20 HB ILE 20 1.340 -6.123 -2.133 157 1HG1 ILE 20 1HG1 ILE 20 1.662 -4.327 -3.589 158 2HG1 ILE 20 2HG1 ILE 20 1.795 -3.609 -1.997 159 1HG2 ILE 20 1HG2 ILE 20 3.713 -5.232 -0.471 160 2HG2 ILE 20 2HG2 ILE 20 1.998 -5.009 -0.052 161 3HG2 ILE 20 3HG2 ILE 20 2.680 -6.649 -0.164 162 1HD1 ILE 20 1HD1 ILE 20 3.712 -2.708 -2.906 163 2HD1 ILE 20 2HD1 ILE 20 4.407 -4.259 -2.377 164 3HD1 ILE 20 3HD1 ILE 20 3.908 -4.039 -4.072 165 H LYS 21 H LYS 21 1.820 -8.092 -4.351 166 HA LYS 21 HA LYS 21 1.382 -10.213 -2.597 167 1HB LYS 21 1HB LYS 21 1.120 -9.876 -5.584 168 2HB LYS 21 2HB LYS 21 0.773 -11.408 -4.809 169 1HG LYS 21 1HG LYS 21 -0.985 -10.455 -3.463 170 2HG LYS 21 2HG LYS 21 -0.477 -8.815 -3.817 171 1HD LYS 21 1HD LYS 21 -1.188 -9.012 -6.143 172 2HD LYS 21 2HD LYS 21 -1.461 -10.735 -5.975 173 1HE LYS 21 1HE LYS 21 -3.196 -10.130 -4.141 174 2HE LYS 21 2HE LYS 21 -3.052 -8.473 -4.693 175 1HZ LYS 21 1HZ LYS 21 -3.402 -9.773 -6.981 176 2HZ LYS 21 2HZ LYS 21 -4.293 -10.705 -5.980 177 3HZ LYS 21 3HZ LYS 21 -4.618 -9.111 -6.116 178 H LYS 22 H LYS 22 3.970 -9.531 -4.973 179 HA LYS 22 HA LYS 22 5.086 -12.148 -4.756 180 1HB LYS 22 1HB LYS 22 6.783 -11.340 -6.215 181 2HB LYS 22 2HB LYS 22 5.262 -10.666 -6.767 182 1HG LYS 22 1HG LYS 22 6.023 -8.549 -6.475 183 2HG LYS 22 2HG LYS 22 6.419 -8.872 -4.799 184 1HD LYS 22 1HD LYS 22 8.297 -10.074 -6.784 185 2HD LYS 22 2HD LYS 22 8.281 -8.322 -6.754 186 1HE LYS 22 1HE LYS 22 9.060 -8.206 -4.542 187 2HE LYS 22 2HE LYS 22 8.395 -9.769 -4.108 188 1HZ LYS 22 1HZ LYS 22 10.083 -10.709 -5.676 189 2HZ LYS 22 2HZ LYS 22 10.788 -9.236 -5.710 190 3HZ LYS 22 3HZ LYS 22 10.681 -10.057 -4.303 191 H VAL 23 H VAL 23 5.319 -9.080 -3.013 192 HA VAL 23 HA VAL 23 7.782 -9.770 -1.727 193 HB VAL 23 HB VAL 23 5.842 -7.543 -1.757 194 1HG1 VAL 23 1HG1 VAL 23 7.277 -8.388 0.740 195 2HG1 VAL 23 2HG1 VAL 23 7.112 -6.653 0.377 196 3HG1 VAL 23 3HG1 VAL 23 5.660 -7.671 0.539 197 1HG2 VAL 23 1HG2 VAL 23 7.613 -6.437 -2.561 198 2HG2 VAL 23 2HG2 VAL 23 8.636 -6.930 -1.190 199 3HG2 VAL 23 3HG2 VAL 23 8.461 -8.001 -2.601 200 H ALA 24 H ALA 24 4.266 -9.989 -1.040 201 HA ALA 24 HA ALA 24 4.682 -10.850 1.651 202 1HB ALA 24 1HB ALA 24 2.662 -9.630 0.908 203 2HB ALA 24 2HB ALA 24 2.242 -10.985 -0.167 204 3HB ALA 24 3HB ALA 24 2.246 -11.217 1.597 205 H GLN 25 H GLN 25 4.092 -12.381 -1.553 206 HA GLN 25 HA GLN 25 3.564 -14.910 -0.722 207 1HB GLN 25 1HB GLN 25 4.613 -13.624 -3.169 208 2HB GLN 25 2HB GLN 25 5.127 -15.291 -2.999 209 1HG GLN 25 1HG GLN 25 2.763 -16.008 -2.685 210 2HG GLN 25 2HG GLN 25 2.229 -14.343 -2.796 211 1HE2 GLN 25 1HE2 GLN 25 0.936 -14.804 -4.563 212 2HE2 GLN 25 2HE2 GLN 25 1.563 -15.054 -6.158 213 H GLU 26 H GLU 26 6.765 -13.300 -1.179 214 HA GLU 26 HA GLU 26 8.225 -15.625 -0.606 215 1HB GLU 26 1HB GLU 26 8.907 -13.343 -1.776 216 2HB GLU 26 2HB GLU 26 9.320 -12.844 -0.147 217 1HG GLU 26 1HG GLU 26 10.330 -15.547 -0.788 218 2HG GLU 26 2HG GLU 26 10.953 -14.325 -1.879 219 H ASN 27 H ASN 27 6.374 -13.474 1.346 220 HA ASN 27 HA ASN 27 7.940 -14.181 3.690 221 1HB ASN 27 1HB ASN 27 6.024 -11.947 3.006 222 2HB ASN 27 2HB ASN 27 6.100 -12.450 4.682 223 1HD2 ASN 27 1HD2 ASN 27 7.463 -10.566 2.273 224 2HD2 ASN 27 2HD2 ASN 27 8.945 -10.103 3.040 225 H ASN 28 H ASN 28 5.640 -15.575 1.889 226 HA ASN 28 HA ASN 28 4.003 -16.961 2.195 227 1HB ASN 28 1HB ASN 28 5.717 -17.593 4.207 228 2HB ASN 28 2HB ASN 28 4.353 -17.102 5.192 229 1HD2 ASN 28 1HD2 ASN 28 5.781 -19.705 4.153 230 2HD2 ASN 28 2HD2 ASN 28 4.467 -20.787 3.832 231 H ILE 29 H ILE 29 3.677 -13.966 2.694 232 HA ILE 29 HA ILE 29 1.449 -13.978 4.586 233 HB ILE 29 HB ILE 29 3.215 -11.835 3.442 234 1HG1 ILE 29 1HG1 ILE 29 2.553 -12.765 6.249 235 2HG1 ILE 29 2HG1 ILE 29 4.072 -12.964 5.398 236 1HG2 ILE 29 1HG2 ILE 29 0.594 -11.432 4.909 237 2HG2 ILE 29 2HG2 ILE 29 1.802 -10.164 4.588 238 3HG2 ILE 29 3HG2 ILE 29 0.967 -10.962 3.233 239 1HD1 ILE 29 1HD1 ILE 29 4.039 -10.340 5.189 240 2HD1 ILE 29 2HD1 ILE 29 2.845 -10.426 6.506 241 3HD1 ILE 29 3HD1 ILE 29 4.484 -11.076 6.747 242 H GLU 30 H GLU 30 -0.659 -13.584 3.957 243 HA GLU 30 HA GLU 30 -1.001 -13.340 1.070 244 1HB GLU 30 1HB GLU 30 -1.994 -15.294 2.884 245 2HB GLU 30 2HB GLU 30 -3.376 -14.310 2.447 246 1HG GLU 30 1HG GLU 30 -3.317 -14.952 0.220 247 2HG GLU 30 2HG GLU 30 -1.570 -15.078 0.186 248 H ASN 31 H ASN 31 -0.877 -11.415 3.639 249 HA ASN 31 HA ASN 31 -2.928 -9.708 2.576 250 1HB ASN 31 1HB ASN 31 -3.814 -11.144 4.619 251 2HB ASN 31 2HB ASN 31 -2.805 -10.095 5.595 252 1HD2 ASN 31 1HD2 ASN 31 -3.279 -7.934 5.820 253 2HD2 ASN 31 2HD2 ASN 31 -4.799 -7.234 5.373 254 HA PRO 32 HA PRO 32 0.969 -7.706 3.883 255 1HB PRO 32 1HB PRO 32 1.556 -6.461 1.522 256 2HB PRO 32 2HB PRO 32 2.195 -8.032 1.962 257 1HG PRO 32 1HG PRO 32 0.054 -7.376 0.032 258 2HG PRO 32 2HG PRO 32 0.987 -8.852 0.176 259 1HD PRO 32 1HD PRO 32 -1.716 -8.439 1.043 260 2HD PRO 32 2HD PRO 32 -0.744 -9.876 1.290 261 H ILE 33 H ILE 33 1.591 -5.444 4.217 262 HA ILE 33 HA ILE 33 -0.739 -3.715 3.805 263 HB ILE 33 HB ILE 33 0.808 -4.139 6.358 264 1HG1 ILE 33 1HG1 ILE 33 -2.156 -4.124 6.286 265 2HG1 ILE 33 2HG1 ILE 33 -1.388 -5.465 5.459 266 1HG2 ILE 33 1HG2 ILE 33 0.536 -1.731 5.941 267 2HG2 ILE 33 2HG2 ILE 33 -1.218 -1.967 5.751 268 3HG2 ILE 33 3HG2 ILE 33 -0.441 -2.289 7.320 269 1HD1 ILE 33 1HD1 ILE 33 -0.678 -6.418 7.407 270 2HD1 ILE 33 2HD1 ILE 33 -0.149 -4.857 8.079 271 3HD1 ILE 33 3HD1 ILE 33 -1.859 -5.339 8.188 272 H LEU 34 H LEU 34 -0.109 -2.134 2.444 273 HA LEU 34 HA LEU 34 2.704 -1.431 2.368 274 1HB LEU 34 1HB LEU 34 0.377 -0.569 0.643 275 2HB LEU 34 2HB LEU 34 2.056 -0.143 0.377 276 HG LEU 34 HG LEU 34 1.551 -1.890 -1.133 277 1HD1 LEU 34 1HD1 LEU 34 2.877 -3.545 0.970 278 2HD1 LEU 34 2HD1 LEU 34 3.298 -3.308 -0.743 279 3HD1 LEU 34 3HD1 LEU 34 3.669 -2.038 0.448 280 1HD2 LEU 34 1HD2 LEU 34 0.717 -3.857 0.953 281 2HD2 LEU 34 2HD2 LEU 34 -0.459 -2.628 0.428 282 3HD2 LEU 34 3HD2 LEU 34 0.262 -3.737 -0.764 283 H ARG 35 H ARG 35 3.436 0.029 3.815 284 HA ARG 35 HA ARG 35 1.542 2.017 4.722 285 1HB ARG 35 1HB ARG 35 2.769 0.738 6.460 286 2HB ARG 35 2HB ARG 35 4.306 1.218 5.767 287 1HG ARG 35 1HG ARG 35 4.215 3.335 6.672 288 2HG ARG 35 2HG ARG 35 2.489 3.490 6.412 289 1HD ARG 35 1HD ARG 35 1.956 2.622 8.485 290 2HD ARG 35 2HD ARG 35 3.250 1.442 8.444 291 HE ARG 35 HE ARG 35 3.375 4.083 9.627 292 1HH1 ARG 35 2HH2 ARG 35 5.330 1.675 7.965 293 2HH1 ARG 35 1HH2 ARG 35 6.820 2.218 8.662 294 1HH2 ARG 35 2HH1 ARG 35 5.340 4.799 10.547 295 2HH2 ARG 35 1HH1 ARG 35 6.826 4.007 10.140 296 H ILE 36 H ILE 36 1.652 4.103 3.936 297 HA ILE 36 HA ILE 36 3.907 4.771 2.243 298 HB ILE 36 HB ILE 36 1.112 5.629 2.565 299 1HG1 ILE 36 1HG1 ILE 36 1.638 6.085 0.023 300 2HG1 ILE 36 2HG1 ILE 36 3.070 5.128 0.346 301 1HG2 ILE 36 1HG2 ILE 36 3.285 7.623 1.891 302 2HG2 ILE 36 2HG2 ILE 36 1.569 7.842 1.476 303 3HG2 ILE 36 3HG2 ILE 36 2.064 7.727 3.182 304 1HD1 ILE 36 1HD1 ILE 36 1.158 3.576 1.569 305 2HD1 ILE 36 2HD1 ILE 36 0.217 4.290 0.237 306 3HD1 ILE 36 3HD1 ILE 36 1.691 3.358 -0.115 307 H ARG 37 H ARG 37 5.577 6.072 2.826 308 HA ARG 37 HA ARG 37 5.159 7.904 4.988 309 1HB ARG 37 1HB ARG 37 6.249 5.396 5.582 310 2HB ARG 37 2HB ARG 37 7.681 6.380 5.356 311 1HG ARG 37 1HG ARG 37 6.734 8.075 6.971 312 2HG ARG 37 2HG ARG 37 5.359 7.021 7.236 313 1HD ARG 37 1HD ARG 37 6.816 6.472 9.027 314 2HD ARG 37 2HD ARG 37 7.106 5.188 7.871 315 HE ARG 37 HE ARG 37 8.876 7.510 7.535 316 1HH1 ARG 37 2HH2 ARG 37 8.428 4.405 9.129 317 2HH1 ARG 37 1HH2 ARG 37 10.118 4.164 9.417 318 1HH2 ARG 37 2HH1 ARG 37 11.107 7.193 7.915 319 2HH2 ARG 37 1HH1 ARG 37 11.653 5.761 8.722 320 H VAL 38 H VAL 38 6.178 9.814 4.430 321 HA VAL 38 HA VAL 38 7.634 10.023 2.064 322 HB VAL 38 HB VAL 38 7.741 11.962 4.367 323 1HG1 VAL 38 1HG1 VAL 38 9.096 12.339 2.259 324 2HG1 VAL 38 2HG1 VAL 38 7.550 12.497 1.390 325 3HG1 VAL 38 3HG1 VAL 38 7.961 13.642 2.690 326 1HG2 VAL 38 1HG2 VAL 38 5.392 11.039 2.840 327 2HG2 VAL 38 2HG2 VAL 38 5.488 11.896 4.397 328 3HG2 VAL 38 3HG2 VAL 38 5.605 12.806 2.872 329 H VAL 39 H VAL 39 9.688 9.454 1.588 330 HA VAL 39 HA VAL 39 11.474 8.931 3.836 331 HB VAL 39 HB VAL 39 11.011 7.189 2.125 332 1HG1 VAL 39 1HG1 VAL 39 12.806 8.358 0.113 333 2HG1 VAL 39 2HG1 VAL 39 11.263 7.494 -0.087 334 3HG1 VAL 39 3HG1 VAL 39 11.266 9.233 0.291 335 1HG2 VAL 39 1HG2 VAL 39 13.532 6.776 1.617 336 2HG2 VAL 39 2HG2 VAL 39 13.798 8.227 2.613 337 3HG2 VAL 39 3HG2 VAL 39 12.981 6.807 3.309 338 HA PRO 40 HA PRO 40 13.373 12.747 2.850 339 1HB PRO 40 1HB PRO 40 15.057 12.847 5.000 340 2HB PRO 40 2HB PRO 40 13.401 13.419 5.052 341 1HG PRO 40 1HG PRO 40 14.542 10.939 6.187 342 2HG PRO 40 2HG PRO 40 13.029 11.730 6.578 343 1HD PRO 40 1HD PRO 40 13.372 9.382 4.968 344 2HD PRO 40 2HD PRO 40 11.873 10.240 5.264 345 H GLY 41 H GLY 41 14.130 11.486 0.915 346 1HA GLY 41 1HA GLY 41 17.062 11.320 1.157 347 2HA GLY 41 2HA GLY 41 16.159 9.990 0.460 348 H GLY 42 H GLY 42 17.471 13.195 -0.050 349 1HA GLY 42 1HA GLY 42 17.965 14.126 -2.087 350 2HA GLY 42 2HA GLY 42 16.909 12.982 -2.891 351 H CYS 43 H CYS 43 17.270 16.217 -2.009 352 HA CYS 43 HA CYS 43 14.528 16.783 -1.462 353 1HB CYS 43 1HB CYS 43 15.257 19.157 -1.595 354 2HB CYS 43 2HB CYS 43 16.197 18.203 -0.465 355 HG CYS 43 HG CYS 43 17.252 18.015 -3.496 356 H SER 44 H SER 44 16.351 15.936 -4.218 357 HA SER 44 HA SER 44 14.594 17.476 -5.953 358 1HB SER 44 1HB SER 44 17.392 16.462 -6.183 359 2HB SER 44 2HB SER 44 16.436 16.347 -7.647 360 HG SER 44 HG SER 44 17.167 18.389 -7.837 361 H GLY 45 H GLY 45 15.908 14.192 -5.237 362 1HA GLY 45 1HA GLY 45 13.704 13.053 -6.852 363 2HA GLY 45 2HA GLY 45 15.300 12.339 -6.732 364 H PHE 46 H PHE 46 12.144 12.287 -5.488 365 HA PHE 46 HA PHE 46 12.946 10.448 -3.438 366 1HB PHE 46 1HB PHE 46 11.707 11.776 -1.670 367 2HB PHE 46 2HB PHE 46 13.099 12.652 -2.276 368 HD1 PHE 46 1HD PHE 46 12.770 14.533 -3.876 369 HD2 PHE 46 2HD PHE 46 9.496 12.613 -1.978 370 HE1 PHE 46 1HE PHE 46 11.296 16.483 -4.447 371 HE2 PHE 46 2HE PHE 46 8.022 14.562 -2.549 372 HZ PHE 46 HZ PHE 46 8.939 16.474 -3.776 373 H GLN 47 H GLN 47 11.356 8.906 -3.081 374 HA GLN 47 HA GLN 47 8.714 9.553 -4.102 375 1HB GLN 47 1HB GLN 47 8.678 7.113 -5.002 376 2HB GLN 47 2HB GLN 47 9.534 8.323 -5.937 377 1HG GLN 47 1HG GLN 47 11.301 7.148 -3.917 378 2HG GLN 47 2HG GLN 47 10.586 5.894 -4.911 379 1HE2 GLN 47 1HE2 GLN 47 12.771 5.565 -5.638 380 2HE2 GLN 47 2HE2 GLN 47 13.426 6.520 -6.926 381 H TYR 48 H TYR 48 7.039 7.869 -3.327 382 HA TYR 48 HA TYR 48 7.584 7.366 -0.525 383 1HB TYR 48 1HB TYR 48 5.149 6.975 -2.377 384 2HB TYR 48 2HB TYR 48 5.085 6.854 -0.630 385 HD1 TYR 48 1HD TYR 48 4.970 9.078 -3.473 386 HD2 TYR 48 2HD TYR 48 5.543 8.930 0.764 387 HE1 TYR 48 1HE TYR 48 4.478 11.567 -3.312 388 HE2 TYR 48 2HE TYR 48 5.050 11.420 0.911 389 HH TYR 48 HH TYR 48 5.275 13.440 -1.423 390 H ALA 49 H ALA 49 8.775 5.520 -0.175 391 HA ALA 49 HA ALA 49 8.309 3.199 -1.816 392 1HB ALA 49 1HB ALA 49 10.301 4.174 0.140 393 2HB ALA 49 2HB ALA 49 9.978 2.426 0.233 394 3HB ALA 49 3HB ALA 49 10.517 3.152 -1.301 395 H MET 50 H MET 50 7.236 1.313 -1.215 396 HA MET 50 HA MET 50 5.933 1.459 1.394 397 1HB MET 50 1HB MET 50 3.923 0.552 0.389 398 2HB MET 50 2HB MET 50 4.456 1.813 -0.705 399 1HG MET 50 1HG MET 50 5.734 -0.059 -1.986 400 2HG MET 50 2HG MET 50 4.802 -1.197 -1.032 401 1HE MET 50 1HE MET 50 4.326 0.268 -4.732 402 2HE MET 50 2HE MET 50 5.081 -1.077 -3.845 403 3HE MET 50 3HE MET 50 3.456 -1.273 -4.545 404 H GLY 51 H GLY 51 5.156 -0.806 2.161 405 1HA GLY 51 1HA GLY 51 6.260 -3.161 1.127 406 2HA GLY 51 2HA GLY 51 7.382 -2.520 2.311 407 H PHE 52 H PHE 52 6.031 -4.996 2.685 408 HA PHE 52 HA PHE 52 3.691 -4.665 4.226 409 1HB PHE 52 1HB PHE 52 4.032 -7.063 4.605 410 2HB PHE 52 2HB PHE 52 4.592 -6.740 2.976 411 HD1 PHE 52 1HD PHE 52 5.554 -7.755 6.324 412 HD2 PHE 52 2HD PHE 52 7.016 -6.674 2.490 413 HE1 PHE 52 1HE PHE 52 7.785 -8.753 6.893 414 HE2 PHE 52 2HE PHE 52 9.247 -7.672 3.059 415 HZ PHE 52 HZ PHE 52 9.606 -8.699 5.254 416 H ASP 53 H ASP 53 3.558 -3.741 6.212 417 HA ASP 53 HA ASP 53 5.944 -3.522 7.768 418 1HB ASP 53 1HB ASP 53 4.242 -2.383 9.395 419 2HB ASP 53 2HB ASP 53 4.624 -1.576 7.887 420 H ASP 54 H ASP 54 5.454 -3.896 10.346 421 HA ASP 54 HA ASP 54 5.071 -6.636 10.613 422 1HB ASP 54 1HB ASP 54 6.314 -4.819 12.113 423 2HB ASP 54 2HB ASP 54 4.767 -4.706 12.928 424 H THR 55 H THR 55 3.051 -3.714 11.286 425 HA THR 55 HA THR 55 0.639 -5.190 11.001 426 HB THR 55 HB THR 55 1.716 -5.554 13.476 427 HG1 THR 55 1HG THR 55 -0.591 -5.866 14.010 428 1HG2 THR 55 1HG2 THR 55 1.134 -3.935 15.031 429 2HG2 THR 55 2HG2 THR 55 1.285 -2.843 13.633 430 3HG2 THR 55 3HG2 THR 55 -0.316 -3.450 14.120 431 H VAL 56 H VAL 56 -1.255 -3.594 11.942 432 HA VAL 56 HA VAL 56 -0.782 -1.187 10.426 433 HB VAL 56 HB VAL 56 -2.886 -2.830 10.646 434 1HG1 VAL 56 1HG1 VAL 56 -3.891 -0.550 12.314 435 2HG1 VAL 56 2HG1 VAL 56 -4.509 -2.212 12.157 436 3HG1 VAL 56 3HG1 VAL 56 -3.044 -1.894 13.117 437 1HG2 VAL 56 1HG2 VAL 56 -4.279 -0.866 9.795 438 2HG2 VAL 56 2HG2 VAL 56 -2.832 0.138 10.056 439 3HG2 VAL 56 3HG2 VAL 56 -2.777 -1.224 8.911 440 H GLU 57 H GLU 57 -1.251 0.981 11.296 441 HA GLU 57 HA GLU 57 -0.159 1.172 13.941 442 1HB GLU 57 1HB GLU 57 -1.034 3.477 12.161 443 2HB GLU 57 2HB GLU 57 0.145 3.510 13.457 444 1HG GLU 57 1HG GLU 57 1.139 1.513 11.761 445 2HG GLU 57 2HG GLU 57 0.479 2.685 10.638 446 H GLU 58 H GLU 58 -1.200 3.011 15.402 447 HA GLU 58 HA GLU 58 -3.927 2.190 15.735 448 1HB GLU 58 1HB GLU 58 -2.166 2.434 17.611 449 2HB GLU 58 2HB GLU 58 -2.379 4.166 17.454 450 1HG GLU 58 1HG GLU 58 -4.100 3.941 18.926 451 2HG GLU 58 2HG GLU 58 -5.013 3.278 17.585 452 H GLY 59 H GLY 59 -2.970 4.000 13.448 453 1HA GLY 59 1HA GLY 59 -5.195 5.747 13.428 454 2HA GLY 59 2HA GLY 59 -3.746 6.643 13.840 455 H ASP 60 H ASP 60 -4.256 3.798 11.637 456 HA ASP 60 HA ASP 60 -3.172 5.487 9.521 457 1HB ASP 60 1HB ASP 60 -2.157 3.058 10.564 458 2HB ASP 60 2HB ASP 60 -2.930 2.594 9.062 459 H HIS 61 H HIS 61 -4.568 5.702 7.751 460 HA HIS 61 HA HIS 61 -7.109 4.529 7.841 461 1HB HIS 61 1HB HIS 61 -5.592 6.120 5.777 462 2HB HIS 61 2HB HIS 61 -7.182 5.471 5.427 463 HD1 HIS 61 1HD HIS 61 -5.981 7.107 8.680 464 HD2 HIS 61 2HD HIS 61 -8.779 7.689 5.610 465 HE1 HIS 61 1HE HIS 61 -7.392 9.118 9.371 466 H VAL 62 H VAL 62 -7.290 2.321 7.739 467 HA VAL 62 HA VAL 62 -5.569 0.800 6.037 468 HB VAL 62 HB VAL 62 -7.116 0.363 8.306 469 1HG1 VAL 62 1HG1 VAL 62 -9.116 -0.034 6.993 470 2HG1 VAL 62 2HG1 VAL 62 -8.252 -1.200 5.963 471 3HG1 VAL 62 3HG1 VAL 62 -8.545 -1.574 7.678 472 1HG2 VAL 62 1HG2 VAL 62 -5.846 -1.776 6.570 473 2HG2 VAL 62 2HG2 VAL 62 -4.924 -0.661 7.608 474 3HG2 VAL 62 3HG2 VAL 62 -6.083 -1.800 8.334 475 H PHE 63 H PHE 63 -5.832 0.500 3.890 476 HA PHE 63 HA PHE 63 -8.552 0.858 2.845 477 1HB PHE 63 1HB PHE 63 -6.437 2.417 2.292 478 2HB PHE 63 2HB PHE 63 -5.929 1.073 1.290 479 HD1 PHE 63 1HD PHE 63 -6.632 3.923 0.413 480 HD2 PHE 63 2HD PHE 63 -8.893 0.334 0.541 481 HE1 PHE 63 1HE PHE 63 -8.080 4.768 -1.455 482 HE2 PHE 63 2HE PHE 63 -10.341 1.179 -1.327 483 HZ PHE 63 HZ PHE 63 -9.917 3.387 -2.303 484 H GLU 64 H GLU 64 -9.469 -1.063 2.303 485 HA GLU 64 HA GLU 64 -7.881 -3.355 1.949 486 1HB GLU 64 1HB GLU 64 -10.832 -2.890 1.330 487 2HB GLU 64 2HB GLU 64 -10.057 -4.459 1.407 488 1HG GLU 64 1HG GLU 64 -9.469 -4.085 3.789 489 2HG GLU 64 2HG GLU 64 -10.153 -2.473 3.727 490 H TYR 65 H TYR 65 -7.127 -4.347 0.083 491 HA TYR 65 HA TYR 65 -7.872 -3.031 -2.443 492 1HB TYR 65 1HB TYR 65 -5.336 -3.645 -1.034 493 2HB TYR 65 2HB TYR 65 -5.354 -4.403 -2.614 494 HD1 TYR 65 1HD TYR 65 -5.692 -2.958 -4.672 495 HD2 TYR 65 2HD TYR 65 -4.970 -1.304 -0.793 496 HE1 TYR 65 1HE TYR 65 -5.017 -0.748 -5.732 497 HE2 TYR 65 2HE TYR 65 -4.298 0.900 -1.866 498 HH TYR 65 HH TYR 65 -4.241 2.056 -3.714 499 H ASP 66 H ASP 66 -6.475 -4.867 -4.127 500 HA ASP 66 HA ASP 66 -8.429 -6.831 -4.331 501 1HB ASP 66 1HB ASP 66 -6.857 -5.851 -6.144 502 2HB ASP 66 2HB ASP 66 -5.634 -6.951 -5.540 503 H GLY 67 H GLY 67 -8.157 -7.609 -1.955 504 1HA GLY 67 1HA GLY 67 -7.663 -9.394 -0.651 505 2HA GLY 67 2HA GLY 67 -6.654 -10.049 -1.925 506 H VAL 68 H VAL 68 -6.010 -6.716 -1.085 507 HA VAL 68 HA VAL 68 -3.850 -7.560 0.708 508 HB VAL 68 HB VAL 68 -3.665 -5.815 -1.748 509 1HG1 VAL 68 1HG1 VAL 68 -1.254 -5.480 -1.023 510 2HG1 VAL 68 2HG1 VAL 68 -2.480 -4.590 -0.088 511 3HG1 VAL 68 3HG1 VAL 68 -1.747 -6.066 0.584 512 1HG2 VAL 68 1HG2 VAL 68 -2.173 -7.395 -2.603 513 2HG2 VAL 68 2HG2 VAL 68 -1.840 -8.097 -1.001 514 3HG2 VAL 68 3HG2 VAL 68 -3.403 -8.399 -1.798 515 H LYS 69 H LYS 69 -3.026 -5.728 2.060 516 HA LYS 69 HA LYS 69 -5.214 -3.830 2.538 517 1HB LYS 69 1HB LYS 69 -4.456 -5.665 4.278 518 2HB LYS 69 2HB LYS 69 -3.165 -4.530 4.616 519 1HG LYS 69 1HG LYS 69 -4.917 -2.718 4.936 520 2HG LYS 69 2HG LYS 69 -6.159 -3.938 4.734 521 1HD LYS 69 1HD LYS 69 -4.334 -4.987 6.667 522 2HD LYS 69 2HD LYS 69 -4.585 -3.309 7.103 523 1HE LYS 69 1HE LYS 69 -6.999 -3.607 7.212 524 2HE LYS 69 2HE LYS 69 -6.900 -5.194 6.475 525 1HZ LYS 69 1HZ LYS 69 -5.367 -4.805 8.887 526 2HZ LYS 69 2HZ LYS 69 -6.990 -4.840 9.061 527 3HZ LYS 69 3HZ LYS 69 -6.213 -6.110 8.390 528 H VAL 70 H VAL 70 -4.704 -1.618 2.918 529 HA VAL 70 HA VAL 70 -1.921 -0.884 2.411 530 HB VAL 70 HB VAL 70 -4.352 -0.096 0.835 531 1HG1 VAL 70 1HG1 VAL 70 -2.610 1.660 -0.154 532 2HG1 VAL 70 2HG1 VAL 70 -3.683 2.064 1.207 533 3HG1 VAL 70 3HG1 VAL 70 -1.990 1.609 1.514 534 1HG2 VAL 70 1HG2 VAL 70 -1.526 -0.925 0.097 535 2HG2 VAL 70 2HG2 VAL 70 -3.011 -1.891 -0.079 536 3HG2 VAL 70 3HG2 VAL 70 -2.777 -0.430 -1.069 537 H VAL 71 H VAL 71 -1.315 1.158 3.337 538 HA VAL 71 HA VAL 71 -3.356 2.497 4.915 539 HB VAL 71 HB VAL 71 -2.163 2.328 6.959 540 1HG1 VAL 71 1HG1 VAL 71 -2.141 -0.157 7.346 541 2HG1 VAL 71 2HG1 VAL 71 -3.629 0.464 6.591 542 3HG1 VAL 71 3HG1 VAL 71 -2.409 -0.373 5.600 543 1HG2 VAL 71 1HG2 VAL 71 0.000 0.925 5.363 544 2HG2 VAL 71 2HG2 VAL 71 0.119 2.466 6.246 545 3HG2 VAL 71 3HG2 VAL 71 -0.068 0.939 7.141 546 H ILE 72 H ILE 72 -2.554 4.633 5.731 547 HA ILE 72 HA ILE 72 -0.148 5.567 4.396 548 HB ILE 72 HB ILE 72 -2.731 7.064 4.040 549 1HG1 ILE 72 1HG1 ILE 72 -1.505 5.180 2.009 550 2HG1 ILE 72 2HG1 ILE 72 -2.873 4.763 3.022 551 1HG2 ILE 72 1HG2 ILE 72 -1.522 8.253 2.325 552 2HG2 ILE 72 2HG2 ILE 72 -0.590 8.297 3.841 553 3HG2 ILE 72 3HG2 ILE 72 -0.108 7.193 2.530 554 1HD1 ILE 72 1HD1 ILE 72 -4.250 6.494 2.057 555 2HD1 ILE 72 2HD1 ILE 72 -2.851 7.245 1.254 556 3HD1 ILE 72 3HD1 ILE 72 -3.454 5.665 0.698 557 H ASP 73 H ASP 73 0.974 7.005 5.651 558 HA ASP 73 HA ASP 73 0.298 7.256 8.289 559 1HB ASP 73 1HB ASP 73 2.318 8.329 6.443 560 2HB ASP 73 2HB ASP 73 1.901 9.506 7.672 561 HA PRO 74 HA PRO 74 -2.340 10.758 8.325 562 1HB PRO 74 1HB PRO 74 -1.775 11.943 10.722 563 2HB PRO 74 2HB PRO 74 -2.797 10.528 10.570 564 1HG PRO 74 1HG PRO 74 -0.011 10.706 11.542 565 2HG PRO 74 2HG PRO 74 -1.175 9.416 11.774 566 1HD PRO 74 1HD PRO 74 1.036 9.425 9.947 567 2HD PRO 74 2HD PRO 74 -0.194 8.186 10.097 568 H PHE 75 H PHE 75 1.036 11.292 8.599 569 HA PHE 75 HA PHE 75 0.668 14.110 7.987 570 1HB PHE 75 1HB PHE 75 2.725 12.251 9.094 571 2HB PHE 75 2HB PHE 75 3.411 13.401 7.964 572 HD1 PHE 75 1HD PHE 75 1.928 12.954 11.248 573 HD2 PHE 75 2HD PHE 75 3.304 15.822 8.439 574 HE1 PHE 75 1HE PHE 75 1.989 14.695 13.055 575 HE2 PHE 75 2HE PHE 75 3.364 17.563 10.246 576 HZ PHE 75 HZ PHE 75 2.706 16.978 12.532 577 H SER 76 H SER 76 1.518 11.019 6.488 578 HA SER 76 HA SER 76 2.615 12.357 4.192 579 1HB SER 76 1HB SER 76 2.080 9.383 4.604 580 2HB SER 76 2HB SER 76 3.092 10.097 3.365 581 HG SER 76 HG SER 76 3.844 10.933 5.908 582 H MET 77 H MET 77 -0.428 11.157 5.396 583 HA MET 77 HA MET 77 -1.641 10.362 3.059 584 1HB MET 77 1HB MET 77 -2.390 11.161 5.798 585 2HB MET 77 2HB MET 77 -3.612 11.671 4.650 586 1HG MET 77 1HG MET 77 -2.546 8.833 5.027 587 2HG MET 77 2HG MET 77 -4.149 9.409 5.440 588 1HE MET 77 1HE MET 77 -5.692 10.377 2.103 589 2HE MET 77 2HE MET 77 -5.228 11.041 3.688 590 3HE MET 77 3HE MET 77 -4.228 11.378 2.254 591 HA PRO 78 HA PRO 78 -2.910 14.909 2.540 592 1HB PRO 78 1HB PRO 78 -1.687 16.838 4.041 593 2HB PRO 78 2HB PRO 78 -3.235 16.133 4.463 594 1HG PRO 78 1HG PRO 78 -0.582 15.644 5.674 595 2HG PRO 78 2HG PRO 78 -2.169 15.295 6.330 596 1HD PRO 78 1HD PRO 78 -0.337 13.413 5.177 597 2HD PRO 78 2HD PRO 78 -1.968 13.085 5.727 598 H TYR 79 H TYR 79 -0.003 13.513 2.443 599 HA TYR 79 HA TYR 79 1.123 15.667 0.794 600 1HB TYR 79 1HB TYR 79 2.059 13.827 2.838 601 2HB TYR 79 2HB TYR 79 2.821 13.333 1.339 602 HD1 TYR 79 1HD TYR 79 4.213 15.022 0.050 603 HD2 TYR 79 2HD TYR 79 2.804 15.752 4.023 604 HE1 TYR 79 1HE TYR 79 5.950 16.857 0.336 605 HE2 TYR 79 2HE TYR 79 4.545 17.584 4.296 606 HH TYR 79 HH TYR 79 6.948 17.972 3.117 607 H VAL 80 H VAL 80 -0.327 12.489 0.748 608 HA VAL 80 HA VAL 80 0.452 12.260 -2.074 609 HB VAL 80 HB VAL 80 0.726 9.942 -1.872 610 1HG1 VAL 80 1HG1 VAL 80 2.226 11.717 -0.200 611 2HG1 VAL 80 2HG1 VAL 80 2.091 10.144 0.623 612 3HG1 VAL 80 3HG1 VAL 80 2.765 10.233 -1.022 613 1HG2 VAL 80 1HG2 VAL 80 -0.238 10.041 1.003 614 2HG2 VAL 80 2HG2 VAL 80 -1.266 9.595 -0.380 615 3HG2 VAL 80 3HG2 VAL 80 0.150 8.599 0.034 616 H ASN 81 H ASN 81 -1.958 13.063 0.009 617 HA ASN 81 HA ASN 81 -4.066 11.458 -0.544 618 1HB ASN 81 1HB ASN 81 -4.277 13.274 1.064 619 2HB ASN 81 2HB ASN 81 -3.897 14.482 -0.147 620 1HD2 ASN 81 1HD2 ASN 81 -6.263 12.129 0.944 621 2HD2 ASN 81 2HD2 ASN 81 -7.656 12.812 0.174 622 H GLY 82 H GLY 82 -5.878 11.710 -2.140 623 1HA GLY 82 1HA GLY 82 -6.502 11.708 -4.320 624 2HA GLY 82 2HA GLY 82 -6.191 13.426 -4.175 625 H ALA 83 H ALA 83 -3.989 10.531 -4.248 626 HA ALA 83 HA ALA 83 -2.968 11.347 -6.816 627 1HB ALA 83 1HB ALA 83 -1.806 12.523 -4.614 628 2HB ALA 83 2HB ALA 83 -0.794 11.075 -4.830 629 3HB ALA 83 3HB ALA 83 -0.984 12.235 -6.166 630 H GLU 84 H GLU 84 -1.554 9.677 -7.745 631 HA GLU 84 HA GLU 84 -2.032 7.133 -6.405 632 1HB GLU 84 1HB GLU 84 -1.739 7.846 -9.348 633 2HB GLU 84 2HB GLU 84 -1.655 6.191 -8.780 634 1HG GLU 84 1HG GLU 84 -3.915 6.068 -8.642 635 2HG GLU 84 2HG GLU 84 -3.967 7.456 -7.574 636 H LEU 85 H LEU 85 -0.298 5.425 -6.759 637 HA LEU 85 HA LEU 85 2.336 6.641 -7.154 638 1HB LEU 85 1HB LEU 85 2.680 6.550 -4.971 639 2HB LEU 85 2HB LEU 85 1.225 5.616 -4.687 640 HG LEU 85 HG LEU 85 2.425 3.539 -5.208 641 1HD1 LEU 85 1HD1 LEU 85 4.488 5.420 -6.133 642 2HD1 LEU 85 2HD1 LEU 85 5.104 4.074 -5.143 643 3HD1 LEU 85 3HD1 LEU 85 4.158 3.738 -6.613 644 1HD2 LEU 85 1HD2 LEU 85 4.321 4.581 -3.255 645 2HD2 LEU 85 2HD2 LEU 85 2.648 5.087 -2.918 646 3HD2 LEU 85 3HD2 LEU 85 3.041 3.358 -3.075 647 H ASP 86 H ASP 86 3.090 5.677 -8.965 648 HA ASP 86 HA ASP 86 2.288 2.949 -9.445 649 1HB ASP 86 1HB ASP 86 2.570 5.108 -11.115 650 2HB ASP 86 2HB ASP 86 4.145 4.367 -11.318 651 H TYR 87 H TYR 87 3.695 1.265 -8.919 652 HA TYR 87 HA TYR 87 6.358 1.936 -8.026 653 1HB TYR 87 1HB TYR 87 4.832 0.314 -6.847 654 2HB TYR 87 2HB TYR 87 4.671 -0.627 -8.316 655 HD1 TYR 87 1HD TYR 87 6.936 0.260 -5.541 656 HD2 TYR 87 2HD TYR 87 6.400 -2.178 -9.015 657 HE1 TYR 87 1HE TYR 87 8.914 -1.178 -4.846 658 HE2 TYR 87 2HE TYR 87 8.379 -3.608 -8.309 659 HH TYR 87 HH TYR 87 9.953 -3.912 -6.869 660 H VAL 88 H VAL 88 8.215 1.713 -9.183 661 HA VAL 88 HA VAL 88 8.028 0.962 -11.919 662 HB VAL 88 HB VAL 88 10.224 1.797 -10.045 663 1HG1 VAL 88 1HG1 VAL 88 10.573 0.966 -12.946 664 2HG1 VAL 88 2HG1 VAL 88 11.808 1.746 -11.929 665 3HG1 VAL 88 3HG1 VAL 88 11.220 0.116 -11.523 666 1HG2 VAL 88 1HG2 VAL 88 10.241 3.466 -12.229 667 2HG2 VAL 88 2HG2 VAL 88 8.514 3.060 -12.082 668 3HG2 VAL 88 3HG2 VAL 88 9.381 3.777 -10.702 669 H VAL 89 H VAL 89 9.246 -0.792 -12.959 670 HA VAL 89 HA VAL 89 9.754 -3.026 -11.125 671 HB VAL 89 HB VAL 89 8.408 -3.221 -13.823 672 1HG1 VAL 89 1HG1 VAL 89 9.038 -5.364 -13.630 673 2HG1 VAL 89 2HG1 VAL 89 9.512 -5.161 -11.926 674 3HG1 VAL 89 3HG1 VAL 89 7.813 -5.487 -12.344 675 1HG2 VAL 89 1HG2 VAL 89 6.311 -3.550 -12.696 676 2HG2 VAL 89 2HG2 VAL 89 7.097 -3.484 -11.100 677 3HG2 VAL 89 3HG2 VAL 89 7.014 -2.022 -12.112 678 H ASP 90 H ASP 90 11.818 -3.724 -11.287 679 HA ASP 90 HA ASP 90 13.010 -4.000 -13.829 680 1HB ASP 90 1HB ASP 90 14.123 -1.912 -11.897 681 2HB ASP 90 2HB ASP 90 14.998 -2.519 -13.288 682 H PHE 91 H PHE 91 15.479 -4.727 -13.409 683 HA PHE 91 HA PHE 91 16.590 -6.483 -12.562 684 1HB PHE 91 1HB PHE 91 17.019 -4.137 -11.268 685 2HB PHE 91 2HB PHE 91 16.329 -5.003 -9.910 686 HD1 PHE 91 1HD PHE 91 18.004 -5.591 -8.444 687 HD2 PHE 91 2HD PHE 91 18.709 -6.026 -12.606 688 HE1 PHE 91 1HE PHE 91 20.244 -6.613 -7.958 689 HE2 PHE 91 2HE PHE 91 20.950 -7.048 -12.119 690 HZ PHE 91 HZ PHE 91 21.690 -7.328 -9.801 691 H MET 92 H MET 92 16.513 -6.862 -9.436 692 HA MET 92 HA MET 92 14.486 -8.896 -9.595 693 1HB MET 92 1HB MET 92 16.978 -8.386 -8.114 694 2HB MET 92 2HB MET 92 15.703 -8.857 -7.008 695 1HG MET 92 1HG MET 92 15.403 -10.643 -9.170 696 2HG MET 92 2HG MET 92 17.140 -10.489 -8.996 697 1HE MET 92 1HE MET 92 18.444 -11.563 -7.633 698 2HE MET 92 2HE MET 92 18.208 -10.721 -6.083 699 3HE MET 92 3HE MET 92 18.080 -12.494 -6.161 700 H GLY 93 H GLY 93 13.776 -5.958 -9.425 701 1HA GLY 93 1HA GLY 93 11.512 -5.869 -8.099 702 2HA GLY 93 2HA GLY 93 12.618 -5.745 -6.746 703 H GLY 94 H GLY 94 11.110 -4.079 -9.412 704 1HA GLY 94 1HA GLY 94 12.805 -1.935 -9.857 705 2HA GLY 94 2HA GLY 94 11.059 -1.912 -10.003 706 H GLY 95 H GLY 95 11.387 0.398 -9.239 707 1HA GLY 95 1HA GLY 95 11.701 0.510 -6.300 708 2HA GLY 95 2HA GLY 95 12.090 1.810 -7.409 709 H PHE 96 H PHE 96 10.636 3.244 -6.242 710 HA PHE 96 HA PHE 96 7.825 2.686 -6.880 711 1HB PHE 96 1HB PHE 96 8.814 4.391 -4.547 712 2HB PHE 96 2HB PHE 96 7.264 3.589 -4.704 713 HD1 PHE 96 1HD PHE 96 10.875 2.961 -4.154 714 HD2 PHE 96 2HD PHE 96 6.931 1.430 -3.827 715 HE1 PHE 96 1HE PHE 96 11.736 1.032 -2.798 716 HE2 PHE 96 2HE PHE 96 7.792 -0.498 -2.471 717 HZ PHE 96 HZ PHE 96 10.184 -0.675 -1.973 718 H THR 97 H THR 97 6.651 4.361 -7.810 719 HA THR 97 HA THR 97 7.938 6.988 -7.930 720 HB THR 97 HB THR 97 7.227 5.136 -10.233 721 HG1 THR 97 1HG THR 97 9.440 5.464 -9.358 722 1HG2 THR 97 1HG2 THR 97 6.612 7.984 -10.101 723 2HG2 THR 97 2HG2 THR 97 7.971 7.717 -11.219 724 3HG2 THR 97 3HG2 THR 97 6.425 6.875 -11.480 725 H ILE 98 H ILE 98 6.559 8.695 -7.775 726 HA ILE 98 HA ILE 98 3.706 7.994 -7.797 727 HB ILE 98 HB ILE 98 4.406 8.279 -5.530 728 1HG1 ILE 98 1HG1 ILE 98 3.179 10.889 -5.613 729 2HG1 ILE 98 2HG1 ILE 98 2.422 9.849 -6.803 730 1HG2 ILE 98 1HG2 ILE 98 5.901 10.607 -6.624 731 2HG2 ILE 98 2HG2 ILE 98 5.218 10.768 -4.988 732 3HG2 ILE 98 3HG2 ILE 98 6.347 9.441 -5.355 733 1HD1 ILE 98 1HD1 ILE 98 1.608 8.366 -5.213 734 2HD1 ILE 98 2HD1 ILE 98 2.962 8.658 -4.095 735 3HD1 ILE 98 3HD1 ILE 98 1.646 9.849 -4.230 736 H ARG 99 H ARG 99 2.304 9.419 -8.845 737 HA ARG 99 HA ARG 99 3.667 11.631 -10.159 738 1HB ARG 99 1HB ARG 99 2.235 9.379 -11.312 739 2HB ARG 99 2HB ARG 99 1.365 10.850 -11.698 740 1HG ARG 99 1HG ARG 99 3.250 11.822 -12.807 741 2HG ARG 99 2HG ARG 99 4.377 10.700 -12.070 742 1HD ARG 99 1HD ARG 99 4.128 9.887 -14.296 743 2HD ARG 99 2HD ARG 99 3.113 8.823 -13.343 744 HE ARG 99 HE ARG 99 1.231 9.678 -14.438 745 1HH1 ARG 99 2HH2 ARG 99 3.924 11.898 -14.885 746 2HH1 ARG 99 1HH2 ARG 99 3.072 12.907 -16.006 747 1HH2 ARG 99 2HH1 ARG 99 0.107 11.009 -15.916 748 2HH2 ARG 99 1HH1 ARG 99 0.886 12.398 -16.596 749 H ASN 100 H ASN 100 2.927 13.436 -9.046 750 HA ASN 100 HA ASN 100 0.216 13.425 -8.101 751 1HB ASN 100 1HB ASN 100 2.714 14.915 -7.538 752 2HB ASN 100 2HB ASN 100 1.319 15.973 -7.607 753 1HD2 ASN 100 1HD2 ASN 100 3.090 13.778 -5.775 754 2HD2 ASN 100 2HD2 ASN 100 2.011 13.556 -4.438 755 HA PRO 101 HA PRO 101 -1.154 15.921 -11.440 756 1HB PRO 101 1HB PRO 101 -3.398 17.060 -10.373 757 2HB PRO 101 2HB PRO 101 -3.363 15.429 -11.013 758 1HG PRO 101 1HG PRO 101 -3.407 16.313 -8.192 759 2HG PRO 101 2HG PRO 101 -3.795 14.738 -8.855 760 1HD PRO 101 1HD PRO 101 -1.381 15.479 -7.495 761 2HD PRO 101 2HD PRO 101 -1.723 13.940 -8.259 Start of MODEL 5 1 H MET 1 H MET 1 -18.192 -0.598 20.533 2 HA MET 1 HA MET 1 -16.017 0.564 21.001 3 1HB MET 1 1HB MET 1 -15.217 -2.162 20.925 4 2HB MET 1 2HB MET 1 -14.602 -1.499 19.424 5 1HG MET 1 1HG MET 1 -13.472 0.338 20.685 6 2HG MET 1 2HG MET 1 -14.108 -0.294 22.191 7 1HE MET 1 1HE MET 1 -10.850 -0.156 20.364 8 2HE MET 1 2HE MET 1 -10.622 -1.799 19.718 9 3HE MET 1 3HE MET 1 -11.975 -0.795 19.141 10 H GLN 2 H GLN 2 -14.900 1.631 19.140 11 HA GLN 2 HA GLN 2 -16.133 0.967 16.596 12 1HB GLN 2 1HB GLN 2 -16.639 3.317 16.134 13 2HB GLN 2 2HB GLN 2 -17.444 2.825 17.611 14 1HG GLN 2 1HG GLN 2 -15.669 3.871 18.978 15 2HG GLN 2 2HG GLN 2 -14.751 4.267 17.538 16 1HE2 GLN 2 1HE2 GLN 2 -17.958 4.684 19.011 17 2HE2 GLN 2 2HE2 GLN 2 -18.252 6.298 18.454 18 H GLU 3 H GLU 3 -14.708 1.059 14.866 19 HA GLU 3 HA GLU 3 -11.997 1.716 15.576 20 1HB GLU 3 1HB GLU 3 -13.348 0.009 13.572 21 2HB GLU 3 2HB GLU 3 -11.971 0.875 12.921 22 1HG GLU 3 1HG GLU 3 -10.532 -0.522 13.977 23 2HG GLU 3 2HG GLU 3 -11.244 -0.138 15.532 24 H GLN 4 H GLN 4 -10.631 3.057 14.086 25 HA GLN 4 HA GLN 4 -11.966 5.459 13.527 26 1HB GLN 4 1HB GLN 4 -9.413 4.857 14.129 27 2HB GLN 4 2HB GLN 4 -9.240 4.894 12.385 28 1HG GLN 4 1HG GLN 4 -10.623 7.189 12.646 29 2HG GLN 4 2HG GLN 4 -9.968 7.134 14.271 30 1HE2 GLN 4 1HE2 GLN 4 -9.490 8.461 11.409 31 2HE2 GLN 4 2HE2 GLN 4 -7.765 8.601 11.335 32 H ALA 5 H ALA 5 -13.654 4.734 12.014 33 HA ALA 5 HA ALA 5 -12.956 3.570 9.534 34 1HB ALA 5 1HB ALA 5 -15.234 3.577 9.157 35 2HB ALA 5 2HB ALA 5 -15.228 3.743 10.929 36 3HB ALA 5 3HB ALA 5 -15.463 5.178 9.901 37 H GLN 6 H GLN 6 -12.132 4.500 7.724 38 HA GLN 6 HA GLN 6 -12.845 7.060 6.916 39 1HB GLN 6 1HB GLN 6 -11.027 7.284 8.934 40 2HB GLN 6 2HB GLN 6 -9.927 7.125 7.579 41 1HG GLN 6 1HG GLN 6 -10.329 9.261 6.933 42 2HG GLN 6 2HG GLN 6 -12.050 8.949 6.826 43 1HE2 GLN 6 1HE2 GLN 6 -9.492 10.339 8.618 44 2HE2 GLN 6 2HE2 GLN 6 -10.399 10.994 9.940 45 H GLN 7 H GLN 7 -12.791 6.843 4.724 46 HA GLN 7 HA GLN 7 -10.686 5.121 3.667 47 1HB GLN 7 1HB GLN 7 -13.127 4.337 3.461 48 2HB GLN 7 2HB GLN 7 -13.375 5.668 2.349 49 1HG GLN 7 1HG GLN 7 -11.955 4.752 0.707 50 2HG GLN 7 2HG GLN 7 -11.035 3.817 1.870 51 1HE2 GLN 7 1HE2 GLN 7 -14.149 4.121 0.246 52 2HE2 GLN 7 2HE2 GLN 7 -14.622 2.456 0.329 53 H PHE 8 H PHE 8 -9.091 6.585 3.076 54 HA PHE 8 HA PHE 8 -9.829 9.086 1.881 55 1HB PHE 8 1HB PHE 8 -7.117 7.656 2.128 56 2HB PHE 8 2HB PHE 8 -7.349 9.378 1.903 57 HD1 PHE 8 1HD PHE 8 -7.870 10.811 3.754 58 HD2 PHE 8 2HD PHE 8 -7.638 6.610 4.306 59 HE1 PHE 8 1HE PHE 8 -7.848 11.139 6.242 60 HE2 PHE 8 2HE PHE 8 -7.615 6.938 6.795 61 HZ PHE 8 HZ PHE 8 -7.720 9.199 7.733 62 H ILE 9 H ILE 9 -8.857 9.807 -0.234 63 HA ILE 9 HA ILE 9 -9.294 7.720 -2.187 64 HB ILE 9 HB ILE 9 -8.754 10.667 -2.561 65 1HG1 ILE 9 1HG1 ILE 9 -10.823 9.923 -1.161 66 2HG1 ILE 9 2HG1 ILE 9 -11.007 11.122 -2.426 67 1HG2 ILE 9 1HG2 ILE 9 -8.290 9.547 -4.593 68 2HG2 ILE 9 2HG2 ILE 9 -9.711 8.488 -4.425 69 3HG2 ILE 9 3HG2 ILE 9 -9.928 10.223 -4.759 70 1HD1 ILE 9 1HD1 ILE 9 -12.642 9.010 -2.272 71 2HD1 ILE 9 2HD1 ILE 9 -12.143 9.669 -3.848 72 3HD1 ILE 9 3HD1 ILE 9 -11.334 8.226 -3.190 73 H PHE 10 H PHE 10 -7.672 6.470 -2.927 74 HA PHE 10 HA PHE 10 -5.165 7.677 -3.591 75 1HB PHE 10 1HB PHE 10 -5.287 6.998 -1.011 76 2HB PHE 10 2HB PHE 10 -5.209 5.350 -1.601 77 HD1 PHE 10 1HD PHE 10 -3.417 8.336 -2.910 78 HD2 PHE 10 2HD PHE 10 -3.114 4.622 -0.879 79 HE1 PHE 10 1HE PHE 10 -0.914 8.488 -3.005 80 HE2 PHE 10 2HE PHE 10 -0.610 4.774 -0.975 81 HZ PHE 10 HZ PHE 10 0.460 6.705 -2.037 82 H LYS 11 H LYS 11 -4.856 6.835 -5.596 83 HA LYS 11 HA LYS 11 -5.669 4.048 -6.004 84 1HB LYS 11 1HB LYS 11 -5.677 6.487 -7.715 85 2HB LYS 11 2HB LYS 11 -5.302 4.969 -8.504 86 1HG LYS 11 1HG LYS 11 -7.445 4.199 -8.308 87 2HG LYS 11 2HG LYS 11 -7.576 4.718 -6.640 88 1HD LYS 11 1HD LYS 11 -7.568 6.853 -8.769 89 2HD LYS 11 2HD LYS 11 -9.012 5.873 -8.609 90 1HE LYS 11 1HE LYS 11 -9.165 6.457 -6.193 91 2HE LYS 11 2HE LYS 11 -7.689 7.393 -6.311 92 1HZ LYS 11 1HZ LYS 11 -8.816 9.075 -7.151 93 2HZ LYS 11 2HZ LYS 11 -9.554 8.161 -8.284 94 3HZ LYS 11 3HZ LYS 11 -10.201 8.290 -6.790 95 H VAL 12 H VAL 12 -4.166 2.500 -6.476 96 HA VAL 12 HA VAL 12 -1.448 3.467 -7.025 97 HB VAL 12 HB VAL 12 -2.178 2.454 -4.647 98 1HG1 VAL 12 1HG1 VAL 12 -1.326 0.043 -6.286 99 2HG1 VAL 12 2HG1 VAL 12 -1.486 0.087 -4.514 100 3HG1 VAL 12 3HG1 VAL 12 -2.921 0.308 -5.543 101 1HG2 VAL 12 1HG2 VAL 12 0.204 1.861 -4.314 102 2HG2 VAL 12 2HG2 VAL 12 0.456 1.955 -6.074 103 3HG2 VAL 12 3HG2 VAL 12 0.000 3.413 -5.161 104 H THR 13 H THR 13 -0.492 2.561 -8.796 105 HA THR 13 HA THR 13 -1.976 1.091 -10.608 106 HB THR 13 HB THR 13 0.188 0.890 -11.774 107 HG1 THR 13 1HG THR 13 1.212 1.750 -9.162 108 1HG2 THR 13 1HG2 THR 13 0.608 3.407 -10.143 109 2HG2 THR 13 2HG2 THR 13 0.807 3.160 -11.895 110 3HG2 THR 13 3HG2 THR 13 -0.823 3.303 -11.196 111 H ASP 14 H ASP 14 -1.956 -1.090 -11.309 112 HA ASP 14 HA ASP 14 -2.209 -2.898 -9.295 113 1HB ASP 14 1HB ASP 14 -1.726 -3.109 -12.271 114 2HB ASP 14 2HB ASP 14 -1.687 -4.579 -11.318 115 H LYS 15 H LYS 15 0.648 -1.726 -11.022 116 HA LYS 15 HA LYS 15 2.349 -3.909 -10.557 117 1HB LYS 15 1HB LYS 15 2.464 -1.508 -11.938 118 2HB LYS 15 2HB LYS 15 3.636 -1.276 -10.656 119 1HG LYS 15 1HG LYS 15 4.718 -3.457 -11.258 120 2HG LYS 15 2HG LYS 15 3.551 -3.677 -12.546 121 1HD LYS 15 1HD LYS 15 4.397 -1.253 -13.302 122 2HD LYS 15 2HD LYS 15 5.809 -1.677 -12.355 123 1HE LYS 15 1HE LYS 15 6.538 -2.711 -14.260 124 2HE LYS 15 2HE LYS 15 5.444 -4.002 -13.803 125 1HZ LYS 15 1HZ LYS 15 4.530 -3.569 -15.763 126 2HZ LYS 15 2HZ LYS 15 3.816 -2.290 -15.042 127 3HZ LYS 15 3HZ LYS 15 5.191 -2.082 -15.898 128 H ALA 16 H ALA 16 1.479 -0.990 -8.649 129 HA ALA 16 HA ALA 16 3.431 -1.361 -6.666 130 1HB ALA 16 1HB ALA 16 0.704 -0.009 -6.568 131 2HB ALA 16 2HB ALA 16 2.012 0.208 -5.380 132 3HB ALA 16 3HB ALA 16 2.234 0.755 -7.060 133 H VAL 17 H VAL 17 -0.121 -2.156 -6.692 134 HA VAL 17 HA VAL 17 -0.130 -3.488 -4.270 135 HB VAL 17 HB VAL 17 -1.834 -3.262 -6.659 136 1HG1 VAL 17 1HG1 VAL 17 -3.361 -5.116 -5.642 137 2HG1 VAL 17 2HG1 VAL 17 -2.017 -5.582 -6.713 138 3HG1 VAL 17 3HG1 VAL 17 -1.846 -5.742 -4.948 139 1HG2 VAL 17 1HG2 VAL 17 -2.877 -1.972 -5.166 140 2HG2 VAL 17 2HG2 VAL 17 -3.358 -3.450 -4.300 141 3HG2 VAL 17 3HG2 VAL 17 -1.865 -2.597 -3.841 142 H GLU 18 H GLU 18 0.315 -4.787 -7.629 143 HA GLU 18 HA GLU 18 0.523 -7.411 -6.967 144 1HB GLU 18 1HB GLU 18 1.686 -5.710 -9.170 145 2HB GLU 18 2HB GLU 18 2.207 -7.378 -9.041 146 1HG GLU 18 1HG GLU 18 -0.401 -7.882 -8.856 147 2HG GLU 18 2HG GLU 18 -0.568 -6.300 -9.592 148 H GLU 19 H GLU 19 3.008 -4.819 -6.795 149 HA GLU 19 HA GLU 19 5.182 -6.450 -6.356 150 1HB GLU 19 1HB GLU 19 5.333 -4.034 -6.875 151 2HB GLU 19 2HB GLU 19 4.630 -3.634 -5.321 152 1HG GLU 19 1HG GLU 19 6.907 -3.413 -4.837 153 2HG GLU 19 2HG GLU 19 6.627 -5.068 -4.335 154 H ILE 20 H ILE 20 2.472 -5.600 -4.289 155 HA ILE 20 HA ILE 20 3.869 -6.314 -1.867 156 HB ILE 20 HB ILE 20 0.913 -5.930 -2.047 157 1HG1 ILE 20 1HG1 ILE 20 1.589 -4.148 -3.451 158 2HG1 ILE 20 2HG1 ILE 20 1.305 -3.449 -1.870 159 1HG2 ILE 20 1HG2 ILE 20 2.403 -6.455 0.057 160 2HG2 ILE 20 2HG2 ILE 20 2.730 -4.707 -0.006 161 3HG2 ILE 20 3HG2 ILE 20 1.057 -5.294 0.152 162 1HD1 ILE 20 1HD1 ILE 20 3.544 -2.987 -1.507 163 2HD1 ILE 20 2HD1 ILE 20 4.094 -4.409 -2.426 164 3HD1 ILE 20 3HD1 ILE 20 3.550 -2.948 -3.286 165 H LYS 21 H LYS 21 1.431 -7.685 -4.130 166 HA LYS 21 HA LYS 21 0.921 -9.970 -2.560 167 1HB LYS 21 1HB LYS 21 0.469 -9.295 -5.474 168 2HB LYS 21 2HB LYS 21 0.008 -10.838 -4.784 169 1HG LYS 21 1HG LYS 21 -1.780 -9.946 -3.667 170 2HG LYS 21 2HG LYS 21 -0.869 -8.549 -3.129 171 1HD LYS 21 1HD LYS 21 -2.551 -7.682 -4.600 172 2HD LYS 21 2HD LYS 21 -1.059 -7.630 -5.519 173 1HE LYS 21 1HE LYS 21 -2.698 -8.565 -7.005 174 2HE LYS 21 2HE LYS 21 -1.699 -9.914 -6.501 175 1HZ LYS 21 1HZ LYS 21 -4.255 -9.193 -5.242 176 2HZ LYS 21 2HZ LYS 21 -4.069 -10.372 -6.357 177 3HZ LYS 21 3HZ LYS 21 -3.347 -10.507 -4.899 178 H LYS 22 H LYS 22 3.243 -9.202 -5.204 179 HA LYS 22 HA LYS 22 4.220 -11.830 -5.433 180 1HB LYS 22 1HB LYS 22 4.533 -9.408 -6.774 181 2HB LYS 22 2HB LYS 22 6.125 -9.721 -6.113 182 1HG LYS 22 1HG LYS 22 5.444 -12.236 -7.031 183 2HG LYS 22 2HG LYS 22 4.607 -11.225 -8.193 184 1HD LYS 22 1HD LYS 22 7.268 -10.144 -7.728 185 2HD LYS 22 2HD LYS 22 7.398 -11.850 -8.109 186 1HE LYS 22 1HE LYS 22 6.749 -11.541 -10.285 187 2HE LYS 22 2HE LYS 22 5.458 -10.441 -9.845 188 1HZ LYS 22 1HZ LYS 22 7.141 -9.298 -11.061 189 2HZ LYS 22 2HZ LYS 22 7.139 -8.726 -9.532 190 3HZ LYS 22 3HZ LYS 22 8.310 -9.756 -10.017 191 H VAL 23 H VAL 23 5.304 -8.935 -3.553 192 HA VAL 23 HA VAL 23 7.591 -10.077 -2.487 193 HB VAL 23 HB VAL 23 5.725 -7.868 -1.748 194 1HG1 VAL 23 1HG1 VAL 23 7.658 -7.481 0.107 195 2HG1 VAL 23 2HG1 VAL 23 6.102 -8.273 0.452 196 3HG1 VAL 23 3HG1 VAL 23 7.551 -9.257 0.137 197 1HG2 VAL 23 1HG2 VAL 23 7.809 -7.934 -3.417 198 2HG2 VAL 23 2HG2 VAL 23 7.408 -6.490 -2.456 199 3HG2 VAL 23 3HG2 VAL 23 8.695 -7.592 -1.912 200 H ALA 24 H ALA 24 4.293 -9.804 -0.970 201 HA ALA 24 HA ALA 24 4.896 -11.377 1.234 202 1HB ALA 24 1HB ALA 24 2.132 -11.627 0.319 203 2HB ALA 24 2HB ALA 24 2.780 -10.813 1.763 204 3HB ALA 24 3HB ALA 24 2.712 -9.948 0.209 205 H GLN 25 H GLN 25 3.923 -12.208 -2.106 206 HA GLN 25 HA GLN 25 3.214 -14.826 -1.631 207 1HB GLN 25 1HB GLN 25 4.053 -13.197 -3.983 208 2HB GLN 25 2HB GLN 25 4.256 -14.927 -4.170 209 1HG GLN 25 1HG GLN 25 1.684 -14.436 -2.927 210 2HG GLN 25 2HG GLN 25 1.825 -13.404 -4.337 211 1HE2 GLN 25 1HE2 GLN 25 0.061 -15.601 -4.000 212 2HE2 GLN 25 2HE2 GLN 25 0.420 -16.798 -5.199 213 H GLU 26 H GLU 26 6.373 -13.242 -1.797 214 HA GLU 26 HA GLU 26 7.733 -15.751 -2.081 215 1HB GLU 26 1HB GLU 26 8.367 -13.197 -2.835 216 2HB GLU 26 2HB GLU 26 9.258 -13.296 -1.329 217 1HG GLU 26 1HG GLU 26 10.112 -15.612 -2.242 218 2HG GLU 26 2HG GLU 26 9.545 -15.041 -3.799 219 H ASN 27 H ASN 27 6.145 -14.204 0.417 220 HA ASN 27 HA ASN 27 8.028 -15.298 2.357 221 1HB ASN 27 1HB ASN 27 6.411 -12.762 2.316 222 2HB ASN 27 2HB ASN 27 6.507 -13.581 3.862 223 1HD2 ASN 27 1HD2 ASN 27 7.987 -11.462 1.746 224 2HD2 ASN 27 2HD2 ASN 27 9.570 -11.375 2.443 225 H ASN 28 H ASN 28 5.517 -16.310 0.746 226 HA ASN 28 HA ASN 28 3.721 -17.490 1.057 227 1HB ASN 28 1HB ASN 28 5.597 -18.607 2.675 228 2HB ASN 28 2HB ASN 28 4.436 -18.168 3.913 229 1HD2 ASN 28 1HD2 ASN 28 5.023 -20.043 1.024 230 2HD2 ASN 28 2HD2 ASN 28 3.700 -21.152 1.173 231 H ILE 29 H ILE 29 3.664 -14.629 1.912 232 HA ILE 29 HA ILE 29 1.940 -14.655 4.252 233 HB ILE 29 HB ILE 29 3.333 -12.516 2.666 234 1HG1 ILE 29 1HG1 ILE 29 3.436 -13.213 5.614 235 2HG1 ILE 29 2HG1 ILE 29 4.559 -13.829 4.418 236 1HG2 ILE 29 1HG2 ILE 29 1.264 -12.085 4.840 237 2HG2 ILE 29 2HG2 ILE 29 2.293 -10.832 4.106 238 3HG2 ILE 29 3HG2 ILE 29 1.082 -11.681 3.116 239 1HD1 ILE 29 1HD1 ILE 29 4.083 -10.877 5.040 240 2HD1 ILE 29 2HD1 ILE 29 5.492 -11.837 5.550 241 3HD1 ILE 29 3HD1 ILE 29 5.222 -11.501 3.823 242 H GLU 30 H GLU 30 -0.252 -14.116 4.225 243 HA GLU 30 HA GLU 30 -1.359 -13.867 1.536 244 1HB GLU 30 1HB GLU 30 -1.827 -15.896 3.497 245 2HB GLU 30 2HB GLU 30 -3.291 -14.936 3.416 246 1HG GLU 30 1HG GLU 30 -3.631 -15.396 1.116 247 2HG GLU 30 2HG GLU 30 -1.949 -15.804 0.843 248 H ASN 31 H ASN 31 -0.580 -12.056 4.083 249 HA ASN 31 HA ASN 31 -2.846 -10.341 3.668 250 1HB ASN 31 1HB ASN 31 -2.720 -9.966 6.334 251 2HB ASN 31 2HB ASN 31 -3.765 -11.191 5.641 252 1HD2 ASN 31 1HD2 ASN 31 -0.972 -10.514 7.519 253 2HD2 ASN 31 2HD2 ASN 31 -0.543 -12.132 7.965 254 HA PRO 32 HA PRO 32 1.315 -8.422 4.128 255 1HB PRO 32 1HB PRO 32 1.546 -7.335 1.631 256 2HB PRO 32 2HB PRO 32 2.227 -8.890 2.067 257 1HG PRO 32 1HG PRO 32 -0.178 -8.308 0.449 258 2HG PRO 32 2HG PRO 32 0.750 -9.792 0.542 259 1HD PRO 32 1HD PRO 32 -1.783 -9.270 1.784 260 2HD PRO 32 2HD PRO 32 -0.801 -10.709 1.970 261 H ILE 33 H ILE 33 1.578 -6.519 5.132 262 HA ILE 33 HA ILE 33 -0.616 -4.643 4.648 263 HB ILE 33 HB ILE 33 1.140 -5.264 6.986 264 1HG1 ILE 33 1HG1 ILE 33 -1.840 -4.862 6.603 265 2HG1 ILE 33 2HG1 ILE 33 -1.006 -6.385 6.839 266 1HG2 ILE 33 1HG2 ILE 33 0.384 -3.192 8.096 267 2HG2 ILE 33 2HG2 ILE 33 1.453 -2.880 6.707 268 3HG2 ILE 33 3HG2 ILE 33 -0.304 -2.635 6.552 269 1HD1 ILE 33 1HD1 ILE 33 -0.107 -4.939 9.020 270 2HD1 ILE 33 2HD1 ILE 33 -1.766 -4.322 8.828 271 3HD1 ILE 33 3HD1 ILE 33 -1.484 -6.066 9.049 272 H LEU 34 H LEU 34 -0.096 -3.276 3.005 273 HA LEU 34 HA LEU 34 2.666 -2.390 2.796 274 1HB LEU 34 1HB LEU 34 1.725 -3.162 0.770 275 2HB LEU 34 2HB LEU 34 0.260 -2.227 0.994 276 HG LEU 34 HG LEU 34 1.663 -0.135 0.763 277 1HD1 LEU 34 1HD1 LEU 34 3.868 -0.476 1.022 278 2HD1 LEU 34 2HD1 LEU 34 3.776 -2.177 0.507 279 3HD1 LEU 34 3HD1 LEU 34 3.822 -0.880 -0.711 280 1HD2 LEU 34 1HD2 LEU 34 1.107 -0.061 -1.406 281 2HD2 LEU 34 2HD2 LEU 34 2.056 -1.512 -1.807 282 3HD2 LEU 34 3HD2 LEU 34 0.423 -1.679 -1.118 283 H ARG 35 H ARG 35 3.353 -0.511 3.664 284 HA ARG 35 HA ARG 35 1.258 1.392 4.347 285 1HB ARG 35 1HB ARG 35 2.499 2.019 6.292 286 2HB ARG 35 2HB ARG 35 2.636 0.273 6.242 287 1HG ARG 35 1HG ARG 35 4.831 0.736 4.837 288 2HG ARG 35 2HG ARG 35 4.723 2.349 5.514 289 1HD ARG 35 1HD ARG 35 4.541 1.228 7.835 290 2HD ARG 35 2HD ARG 35 4.967 -0.278 7.047 291 HE ARG 35 HE ARG 35 7.171 0.516 6.709 292 1HH1 ARG 35 2HH2 ARG 35 5.103 3.093 7.918 293 2HH1 ARG 35 1HH2 ARG 35 6.421 4.163 8.262 294 1HH2 ARG 35 2HH1 ARG 35 8.910 1.927 7.164 295 2HH2 ARG 35 1HH1 ARG 35 8.601 3.496 7.831 296 H ILE 36 H ILE 36 1.404 3.438 3.427 297 HA ILE 36 HA ILE 36 3.784 3.940 1.809 298 HB ILE 36 HB ILE 36 0.938 4.881 1.725 299 1HG1 ILE 36 1HG1 ILE 36 1.572 4.281 -0.799 300 2HG1 ILE 36 2HG1 ILE 36 2.783 3.291 -0.007 301 1HG2 ILE 36 1HG2 ILE 36 2.346 6.897 1.571 302 2HG2 ILE 36 2HG2 ILE 36 3.238 6.158 0.220 303 3HG2 ILE 36 3HG2 ILE 36 1.507 6.534 0.044 304 1HD1 ILE 36 1HD1 ILE 36 0.236 2.445 -0.466 305 2HD1 ILE 36 2HD1 ILE 36 1.227 1.846 0.886 306 3HD1 ILE 36 3HD1 ILE 36 0.034 3.138 1.161 307 H ARG 37 H ARG 37 5.368 5.041 2.833 308 HA ARG 37 HA ARG 37 4.467 7.220 4.541 309 1HB ARG 37 1HB ARG 37 6.002 4.952 5.291 310 2HB ARG 37 2HB ARG 37 7.170 6.253 5.177 311 1HG ARG 37 1HG ARG 37 4.647 7.031 6.542 312 2HG ARG 37 2HG ARG 37 5.530 5.763 7.367 313 1HD ARG 37 1HD ARG 37 7.057 8.184 6.382 314 2HD ARG 37 2HD ARG 37 6.084 8.337 7.831 315 HE ARG 37 HE ARG 37 7.525 6.002 8.265 316 1HH1 ARG 37 2HH2 ARG 37 8.394 9.317 7.466 317 2HH1 ARG 37 1HH2 ARG 37 9.928 9.243 8.266 318 1HH2 ARG 37 2HH1 ARG 37 9.549 5.904 9.321 319 2HH2 ARG 37 1HH1 ARG 37 10.590 7.288 9.328 320 H VAL 38 H VAL 38 6.074 9.071 4.680 321 HA VAL 38 HA VAL 38 7.194 9.535 2.063 322 HB VAL 38 HB VAL 38 7.070 11.285 4.527 323 1HG1 VAL 38 1HG1 VAL 38 8.693 12.274 3.185 324 2HG1 VAL 38 2HG1 VAL 38 7.900 11.771 1.673 325 3HG1 VAL 38 3HG1 VAL 38 7.205 13.089 2.646 326 1HG2 VAL 38 1HG2 VAL 38 5.271 12.068 2.414 327 2HG2 VAL 38 2HG2 VAL 38 4.962 10.376 2.873 328 3HG2 VAL 38 3HG2 VAL 38 4.911 11.657 4.108 329 H VAL 39 H VAL 39 9.245 9.012 1.530 330 HA VAL 39 HA VAL 39 11.258 9.179 3.645 331 HB VAL 39 HB VAL 39 12.255 7.080 2.809 332 1HG1 VAL 39 1HG1 VAL 39 11.164 5.959 4.416 333 2HG1 VAL 39 2HG1 VAL 39 10.155 7.415 4.587 334 3HG1 VAL 39 3HG1 VAL 39 9.609 6.071 3.556 335 1HG2 VAL 39 1HG2 VAL 39 11.486 6.777 0.625 336 2HG2 VAL 39 2HG2 VAL 39 10.583 5.550 1.545 337 3HG2 VAL 39 3HG2 VAL 39 9.789 7.072 1.074 338 HA PRO 40 HA PRO 40 12.621 11.411 0.026 339 1HB PRO 40 1HB PRO 40 13.776 13.498 1.360 340 2HB PRO 40 2HB PRO 40 12.110 13.513 0.816 341 1HG PRO 40 1HG PRO 40 13.162 13.151 3.555 342 2HG PRO 40 2HG PRO 40 11.542 13.590 3.050 343 1HD PRO 40 1HD PRO 40 12.413 11.019 3.977 344 2HD PRO 40 2HD PRO 40 10.824 11.428 3.363 345 H GLY 41 H GLY 41 13.830 9.144 0.430 346 1HA GLY 41 1HA GLY 41 16.388 9.241 1.535 347 2HA GLY 41 2HA GLY 41 15.827 8.123 0.308 348 H GLY 42 H GLY 42 15.561 9.226 -2.010 349 1HA GLY 42 1HA GLY 42 18.154 10.129 -2.756 350 2HA GLY 42 2HA GLY 42 16.744 9.963 -3.783 351 H CYS 43 H CYS 43 18.914 12.181 -3.185 352 HA CYS 43 HA CYS 43 17.705 14.362 -2.047 353 1HB CYS 43 1HB CYS 43 20.142 13.997 -2.910 354 2HB CYS 43 2HB CYS 43 19.542 14.651 -4.421 355 HG CYS 43 HG CYS 43 20.389 16.031 -1.725 356 H SER 44 H SER 44 17.707 13.195 -5.483 357 HA SER 44 HA SER 44 15.519 15.063 -5.957 358 1HB SER 44 1HB SER 44 17.917 14.694 -7.381 359 2HB SER 44 2HB SER 44 16.722 13.863 -8.358 360 HG SER 44 HG SER 44 15.533 16.137 -7.659 361 H GLY 45 H GLY 45 15.741 12.121 -4.848 362 1HA GLY 45 1HA GLY 45 13.698 11.004 -6.670 363 2HA GLY 45 2HA GLY 45 15.010 10.029 -6.039 364 H PHE 46 H PHE 46 12.862 12.558 -4.543 365 HA PHE 46 HA PHE 46 12.576 10.877 -2.222 366 1HB PHE 46 1HB PHE 46 11.280 12.929 -1.450 367 2HB PHE 46 2HB PHE 46 12.885 13.334 -2.027 368 HD1 PHE 46 1HD PHE 46 9.303 13.566 -2.717 369 HD2 PHE 46 2HD PHE 46 13.188 14.546 -4.115 370 HE1 PHE 46 1HE PHE 46 8.307 15.203 -4.337 371 HE2 PHE 46 2HE PHE 46 12.191 16.184 -5.735 372 HZ PHE 46 HZ PHE 46 9.763 16.493 -5.827 373 H GLN 47 H GLN 47 11.103 9.242 -2.231 374 HA GLN 47 HA GLN 47 8.438 9.921 -3.081 375 1HB GLN 47 1HB GLN 47 10.092 7.698 -4.327 376 2HB GLN 47 2HB GLN 47 8.341 7.638 -4.326 377 1HG GLN 47 1HG GLN 47 8.509 8.823 -6.275 378 2HG GLN 47 2HG GLN 47 8.738 10.207 -5.225 379 1HE2 GLN 47 1HE2 GLN 47 9.725 10.317 -7.706 380 2HE2 GLN 47 2HE2 GLN 47 11.454 10.221 -7.728 381 H TYR 48 H TYR 48 6.964 7.807 -2.615 382 HA TYR 48 HA TYR 48 7.592 7.116 0.131 383 1HB TYR 48 1HB TYR 48 5.217 6.352 -1.667 384 2HB TYR 48 2HB TYR 48 5.212 6.431 0.084 385 HD1 TYR 48 1HD TYR 48 5.029 8.576 1.251 386 HD2 TYR 48 2HD TYR 48 5.056 8.389 -3.023 387 HE1 TYR 48 1HE TYR 48 4.173 10.966 1.134 388 HE2 TYR 48 2HE TYR 48 4.199 10.780 -3.125 389 HH TYR 48 HH TYR 48 4.034 12.685 -1.887 390 H ALA 49 H ALA 49 8.614 5.259 0.669 391 HA ALA 49 HA ALA 49 8.873 3.198 -1.342 392 1HB ALA 49 1HB ALA 49 9.951 3.222 1.497 393 2HB ALA 49 2HB ALA 49 10.567 2.318 0.093 394 3HB ALA 49 3HB ALA 49 10.745 4.088 0.159 395 H MET 50 H MET 50 8.436 0.886 -0.779 396 HA MET 50 HA MET 50 5.942 0.781 0.696 397 1HB MET 50 1HB MET 50 7.296 -1.203 -1.216 398 2HB MET 50 2HB MET 50 5.721 -1.457 -0.493 399 1HG MET 50 1HG MET 50 4.860 0.605 -1.607 400 2HG MET 50 2HG MET 50 6.441 0.901 -2.303 401 1HE MET 50 1HE MET 50 3.197 -1.135 -4.307 402 2HE MET 50 2HE MET 50 3.176 -0.195 -2.795 403 3HE MET 50 3HE MET 50 3.789 0.543 -4.294 404 H GLY 51 H GLY 51 5.611 -1.614 1.717 405 1HA GLY 51 1HA GLY 51 7.855 -2.948 2.767 406 2HA GLY 51 2HA GLY 51 7.311 -1.759 3.935 407 H PHE 52 H PHE 52 7.165 -4.419 4.653 408 HA PHE 52 HA PHE 52 4.270 -4.863 4.581 409 1HB PHE 52 1HB PHE 52 5.159 -7.391 4.729 410 2HB PHE 52 2HB PHE 52 5.065 -6.604 3.166 411 HD1 PHE 52 1HD PHE 52 7.216 -8.167 5.563 412 HD2 PHE 52 2HD PHE 52 7.177 -5.546 2.226 413 HE1 PHE 52 1HE PHE 52 9.665 -8.585 5.206 414 HE2 PHE 52 2HE PHE 52 9.626 -5.964 1.869 415 HZ PHE 52 HZ PHE 52 10.841 -7.478 3.364 416 H ASP 53 H ASP 53 3.822 -4.133 6.663 417 HA ASP 53 HA ASP 53 5.196 -5.630 8.748 418 1HB ASP 53 1HB ASP 53 4.473 -2.674 8.655 419 2HB ASP 53 2HB ASP 53 4.739 -3.494 10.181 420 H ASP 54 H ASP 54 3.710 -6.712 10.071 421 HA ASP 54 HA ASP 54 1.006 -6.593 9.477 422 1HB ASP 54 1HB ASP 54 2.719 -8.230 10.973 423 2HB ASP 54 2HB ASP 54 1.673 -7.545 12.201 424 H THR 55 H THR 55 3.028 -5.296 12.199 425 HA THR 55 HA THR 55 1.154 -4.325 13.892 426 HB THR 55 HB THR 55 3.703 -4.247 14.061 427 HG1 THR 55 1HG THR 55 2.778 -2.982 15.649 428 1HG2 THR 55 1HG2 THR 55 3.312 -2.356 11.853 429 2HG2 THR 55 2HG2 THR 55 4.082 -1.553 13.243 430 3HG2 THR 55 3HG2 THR 55 4.835 -2.994 12.518 431 H VAL 56 H VAL 56 0.299 -2.116 14.268 432 HA VAL 56 HA VAL 56 -0.129 -0.627 11.801 433 HB VAL 56 HB VAL 56 -2.115 -2.254 13.220 434 1HG1 VAL 56 1HG1 VAL 56 -3.966 -0.612 12.848 435 2HG1 VAL 56 2HG1 VAL 56 -2.836 -0.146 14.143 436 3HG1 VAL 56 3HG1 VAL 56 -2.736 0.640 12.549 437 1HG2 VAL 56 1HG2 VAL 56 -1.326 -2.164 10.701 438 2HG2 VAL 56 2HG2 VAL 56 -3.019 -2.525 11.117 439 3HG2 VAL 56 3HG2 VAL 56 -2.562 -0.889 10.586 440 H GLU 57 H GLU 57 -0.882 1.594 12.217 441 HA GLU 57 HA GLU 57 0.238 2.503 14.697 442 1HB GLU 57 1HB GLU 57 -0.966 4.180 12.458 443 2HB GLU 57 2HB GLU 57 0.137 4.721 13.708 444 1HG GLU 57 1HG GLU 57 1.184 2.419 12.166 445 2HG GLU 57 2HG GLU 57 0.870 3.823 11.165 446 H GLU 58 H GLU 58 -1.022 4.484 15.761 447 HA GLU 58 HA GLU 58 -3.581 3.396 16.443 448 1HB GLU 58 1HB GLU 58 -1.735 4.474 18.008 449 2HB GLU 58 2HB GLU 58 -2.483 5.990 17.547 450 1HG GLU 58 1HG GLU 58 -4.625 5.327 18.448 451 2HG GLU 58 2HG GLU 58 -4.130 3.652 18.596 452 H GLY 59 H GLY 59 -3.064 4.613 13.715 453 1HA GLY 59 1HA GLY 59 -5.493 5.838 13.274 454 2HA GLY 59 2HA GLY 59 -4.374 7.142 13.617 455 H ASP 60 H ASP 60 -4.101 3.971 11.845 456 HA ASP 60 HA ASP 60 -2.696 5.413 9.772 457 1HB ASP 60 1HB ASP 60 -2.677 2.698 10.859 458 2HB ASP 60 2HB ASP 60 -2.902 2.644 9.122 459 H HIS 61 H HIS 61 -3.464 5.386 7.551 460 HA HIS 61 HA HIS 61 -6.284 5.147 7.312 461 1HB HIS 61 1HB HIS 61 -4.243 5.594 5.121 462 2HB HIS 61 2HB HIS 61 -5.956 5.959 5.063 463 HD1 HIS 61 1HD HIS 61 -5.945 7.276 8.050 464 HD2 HIS 61 2HD HIS 61 -3.489 8.282 4.801 465 HE1 HIS 61 1HE HIS 61 -5.160 9.669 8.461 466 H VAL 62 H VAL 62 -7.149 3.110 7.392 467 HA VAL 62 HA VAL 62 -5.742 0.889 6.272 468 HB VAL 62 HB VAL 62 -7.879 1.376 8.088 469 1HG1 VAL 62 1HG1 VAL 62 -9.502 0.975 6.377 470 2HG1 VAL 62 2HG1 VAL 62 -8.609 -0.441 5.772 471 3HG1 VAL 62 3HG1 VAL 62 -9.403 -0.503 7.364 472 1HG2 VAL 62 1HG2 VAL 62 -6.106 -0.053 8.708 473 2HG2 VAL 62 2HG2 VAL 62 -7.516 -1.124 8.525 474 3HG2 VAL 62 3HG2 VAL 62 -6.282 -1.051 7.245 475 H PHE 63 H PHE 63 -5.632 0.470 4.133 476 HA PHE 63 HA PHE 63 -7.937 1.305 2.515 477 1HB PHE 63 1HB PHE 63 -4.942 1.425 2.273 478 2HB PHE 63 2HB PHE 63 -5.753 0.902 0.810 479 HD1 PHE 63 1HD PHE 63 -6.729 2.468 -0.629 480 HD2 PHE 63 2HD PHE 63 -5.699 3.643 3.317 481 HE1 PHE 63 1HE PHE 63 -7.222 4.859 -1.212 482 HE2 PHE 63 2HE PHE 63 -6.191 6.034 2.733 483 HZ PHE 63 HZ PHE 63 -6.947 6.613 0.476 484 H GLU 64 H GLU 64 -9.174 -0.419 1.947 485 HA GLU 64 HA GLU 64 -8.066 -3.026 2.024 486 1HB GLU 64 1HB GLU 64 -10.784 -2.088 1.005 487 2HB GLU 64 2HB GLU 64 -10.347 -3.746 1.366 488 1HG GLU 64 1HG GLU 64 -9.848 -3.029 3.756 489 2HG GLU 64 2HG GLU 64 -10.456 -1.434 3.359 490 H TYR 65 H TYR 65 -7.208 -4.224 0.358 491 HA TYR 65 HA TYR 65 -7.573 -3.131 -2.351 492 1HB TYR 65 1HB TYR 65 -5.229 -3.984 -0.657 493 2HB TYR 65 2HB TYR 65 -5.180 -4.587 -2.301 494 HD1 TYR 65 1HD TYR 65 -5.582 -2.768 -4.188 495 HD2 TYR 65 2HD TYR 65 -4.335 -1.882 -0.192 496 HE1 TYR 65 1HE TYR 65 -4.639 -0.540 -4.968 497 HE2 TYR 65 2HE TYR 65 -3.396 0.343 -0.987 498 HH TYR 65 HH TYR 65 -2.872 1.553 -2.730 499 H ASP 66 H ASP 66 -6.285 -5.196 -3.756 500 HA ASP 66 HA ASP 66 -8.351 -7.054 -3.852 501 1HB ASP 66 1HB ASP 66 -6.555 -6.309 -5.639 502 2HB ASP 66 2HB ASP 66 -5.561 -7.568 -4.936 503 H GLY 67 H GLY 67 -8.203 -7.623 -1.408 504 1HA GLY 67 1HA GLY 67 -7.833 -9.254 0.108 505 2HA GLY 67 2HA GLY 67 -6.912 -10.144 -1.088 506 H VAL 68 H VAL 68 -6.256 -6.761 -0.048 507 HA VAL 68 HA VAL 68 -4.021 -7.672 1.564 508 HB VAL 68 HB VAL 68 -3.685 -5.831 -0.813 509 1HG1 VAL 68 1HG1 VAL 68 -1.313 -5.846 -0.266 510 2HG1 VAL 68 2HG1 VAL 68 -2.254 -5.267 1.130 511 3HG1 VAL 68 3HG1 VAL 68 -1.611 -6.927 1.117 512 1HG2 VAL 68 1HG2 VAL 68 -2.888 -8.723 -0.380 513 2HG2 VAL 68 2HG2 VAL 68 -3.913 -8.044 -1.667 514 3HG2 VAL 68 3HG2 VAL 68 -2.169 -7.689 -1.638 515 H LYS 69 H LYS 69 -3.372 -6.122 3.130 516 HA LYS 69 HA LYS 69 -5.285 -3.914 3.370 517 1HB LYS 69 1HB LYS 69 -4.666 -5.926 5.155 518 2HB LYS 69 2HB LYS 69 -3.668 -4.604 5.727 519 1HG LYS 69 1HG LYS 69 -5.909 -3.180 5.353 520 2HG LYS 69 2HG LYS 69 -6.677 -4.749 5.495 521 1HD LYS 69 1HD LYS 69 -4.660 -4.446 7.583 522 2HD LYS 69 2HD LYS 69 -5.751 -3.075 7.610 523 1HE LYS 69 1HE LYS 69 -7.507 -5.215 7.256 524 2HE LYS 69 2HE LYS 69 -6.277 -5.912 8.292 525 1HZ LYS 69 1HZ LYS 69 -8.270 -4.112 8.982 526 2HZ LYS 69 2HZ LYS 69 -7.156 -4.802 9.956 527 3HZ LYS 69 3HZ LYS 69 -6.837 -3.372 9.235 528 H VAL 70 H VAL 70 -4.544 -1.791 3.840 529 HA VAL 70 HA VAL 70 -1.646 -1.432 3.598 530 HB VAL 70 HB VAL 70 -3.833 -0.347 1.881 531 1HG1 VAL 70 1HG1 VAL 70 -2.488 1.586 1.229 532 2HG1 VAL 70 2HG1 VAL 70 -2.880 1.657 2.963 533 3HG1 VAL 70 3HG1 VAL 70 -1.254 1.159 2.438 534 1HG2 VAL 70 1HG2 VAL 70 -1.013 -0.696 0.973 535 2HG2 VAL 70 2HG2 VAL 70 -1.923 -2.165 1.401 536 3HG2 VAL 70 3HG2 VAL 70 -2.543 -1.069 0.143 537 H VAL 71 H VAL 71 -0.916 0.699 4.453 538 HA VAL 71 HA VAL 71 -2.856 2.027 6.160 539 HB VAL 71 HB VAL 71 -1.495 1.809 8.134 540 1HG1 VAL 71 1HG1 VAL 71 -1.914 -0.949 6.938 541 2HG1 VAL 71 2HG1 VAL 71 -1.892 -0.511 8.663 542 3HG1 VAL 71 3HG1 VAL 71 -3.211 0.065 7.615 543 1HG2 VAL 71 1HG2 VAL 71 0.704 1.480 7.900 544 2HG2 VAL 71 2HG2 VAL 71 0.333 -0.240 7.630 545 3HG2 VAL 71 3HG2 VAL 71 0.508 0.862 6.242 546 H ILE 72 H ILE 72 -2.700 4.091 5.448 547 HA ILE 72 HA ILE 72 -0.088 5.023 4.555 548 HB ILE 72 HB ILE 72 -2.687 6.517 4.360 549 1HG1 ILE 72 1HG1 ILE 72 -1.689 4.525 2.308 550 2HG1 ILE 72 2HG1 ILE 72 -2.932 4.154 3.486 551 1HG2 ILE 72 1HG2 ILE 72 -1.440 7.226 2.180 552 2HG2 ILE 72 2HG2 ILE 72 -0.983 7.945 3.743 553 3HG2 ILE 72 3HG2 ILE 72 0.006 6.643 3.040 554 1HD1 ILE 72 1HD1 ILE 72 -4.063 4.858 1.472 555 2HD1 ILE 72 2HD1 ILE 72 -4.222 6.193 2.638 556 3HD1 ILE 72 3HD1 ILE 72 -3.028 6.298 1.322 557 H ASP 73 H ASP 73 0.310 7.480 5.135 558 HA ASP 73 HA ASP 73 0.045 7.571 8.020 559 1HB ASP 73 1HB ASP 73 2.146 8.179 6.156 560 2HB ASP 73 2HB ASP 73 1.692 9.692 6.915 561 HA PRO 74 HA PRO 74 -2.475 11.145 7.696 562 1HB PRO 74 1HB PRO 74 -1.791 12.617 9.894 563 2HB PRO 74 2HB PRO 74 -2.854 11.226 9.966 564 1HG PRO 74 1HG PRO 74 -0.030 11.447 10.811 565 2HG PRO 74 2HG PRO 74 -1.216 10.234 11.251 566 1HD PRO 74 1HD PRO 74 0.925 9.936 9.366 567 2HD PRO 74 2HD PRO 74 -0.330 8.765 9.721 568 H PHE 75 H PHE 75 0.916 11.579 7.729 569 HA PHE 75 HA PHE 75 0.646 14.331 6.866 570 1HB PHE 75 1HB PHE 75 2.769 12.370 7.750 571 2HB PHE 75 2HB PHE 75 3.310 13.607 6.633 572 HD1 PHE 75 1HD PHE 75 2.430 12.863 10.032 573 HD2 PHE 75 2HD PHE 75 3.005 16.034 7.271 574 HE1 PHE 75 1HE PHE 75 2.670 14.479 11.938 575 HE2 PHE 75 2HE PHE 75 3.245 17.650 9.177 576 HZ PHE 75 HZ PHE 75 3.074 16.853 11.488 577 H SER 76 H SER 76 0.489 11.239 5.458 578 HA SER 76 HA SER 76 1.855 12.023 3.054 579 1HB SER 76 1HB SER 76 1.906 9.667 4.069 580 2HB SER 76 2HB SER 76 0.239 9.491 3.559 581 HG SER 76 HG SER 76 2.586 9.826 1.920 582 H MET 77 H MET 77 -1.380 11.916 4.444 583 HA MET 77 HA MET 77 -2.892 11.704 2.164 584 1HB MET 77 1HB MET 77 -3.275 12.216 4.922 585 2HB MET 77 2HB MET 77 -3.935 13.644 4.150 586 1HG MET 77 1HG MET 77 -5.672 11.879 4.434 587 2HG MET 77 2HG MET 77 -5.418 12.257 2.742 588 1HE MET 77 1HE MET 77 -5.344 10.951 1.224 589 2HE MET 77 2HE MET 77 -3.874 9.968 1.019 590 3HE MET 77 3HE MET 77 -5.442 9.175 1.304 591 HA PRO 78 HA PRO 78 -2.558 16.426 1.819 592 1HB PRO 78 1HB PRO 78 -0.737 17.782 3.341 593 2HB PRO 78 2HB PRO 78 -2.423 17.612 3.788 594 1HG PRO 78 1HG PRO 78 -0.062 16.226 4.903 595 2HG PRO 78 2HG PRO 78 -1.663 16.397 5.595 596 1HD PRO 78 1HD PRO 78 -0.580 14.061 4.331 597 2HD PRO 78 2HD PRO 78 -2.218 14.271 4.919 598 H TYR 79 H TYR 79 -0.284 14.151 1.588 599 HA TYR 79 HA TYR 79 1.390 15.870 -0.115 600 1HB TYR 79 1HB TYR 79 2.004 14.231 2.072 601 2HB TYR 79 2HB TYR 79 2.212 13.101 0.748 602 HD1 TYR 79 1HD TYR 79 3.212 15.208 -1.297 603 HD2 TYR 79 2HD TYR 79 4.300 14.336 2.748 604 HE1 TYR 79 1HE TYR 79 5.542 16.136 -1.716 605 HE2 TYR 79 2HE TYR 79 6.626 15.267 2.315 606 HH TYR 79 HH TYR 79 7.532 16.425 -0.917 607 H VAL 80 H VAL 80 -0.764 13.094 0.076 608 HA VAL 80 HA VAL 80 -0.410 12.739 -2.800 609 HB VAL 80 HB VAL 80 -0.339 10.357 -2.614 610 1HG1 VAL 80 1HG1 VAL 80 1.706 10.989 -0.551 611 2HG1 VAL 80 2HG1 VAL 80 1.876 10.198 -2.136 612 3HG1 VAL 80 3HG1 VAL 80 1.749 11.970 -2.035 613 1HG2 VAL 80 1HG2 VAL 80 -1.208 9.276 -0.871 614 2HG2 VAL 80 2HG2 VAL 80 0.107 9.887 0.162 615 3HG2 VAL 80 3HG2 VAL 80 -1.404 10.814 0.004 616 H ASN 81 H ASN 81 -2.362 14.289 -1.438 617 HA ASN 81 HA ASN 81 -4.633 12.768 -0.868 618 1HB ASN 81 1HB ASN 81 -4.544 15.006 0.016 619 2HB ASN 81 2HB ASN 81 -4.139 15.698 -1.542 620 1HD2 ASN 81 1HD2 ASN 81 -5.840 17.162 -1.351 621 2HD2 ASN 81 2HD2 ASN 81 -7.492 16.721 -1.627 622 H GLY 82 H GLY 82 -5.528 11.466 -2.498 623 1HA GLY 82 1HA GLY 82 -6.754 11.064 -4.368 624 2HA GLY 82 2HA GLY 82 -6.576 12.737 -4.858 625 H ALA 83 H ALA 83 -3.465 11.883 -4.116 626 HA ALA 83 HA ALA 83 -2.764 11.618 -6.870 627 1HB ALA 83 1HB ALA 83 -1.543 12.811 -4.870 628 2HB ALA 83 2HB ALA 83 -0.874 11.192 -4.556 629 3HB ALA 83 3HB ALA 83 -0.582 11.987 -6.122 630 H GLU 84 H GLU 84 -1.071 9.829 -7.469 631 HA GLU 84 HA GLU 84 -1.967 7.328 -6.270 632 1HB GLU 84 1HB GLU 84 -1.942 6.276 -8.500 633 2HB GLU 84 2HB GLU 84 -3.063 7.622 -8.465 634 1HG GLU 84 1HG GLU 84 -0.696 8.870 -9.231 635 2HG GLU 84 2HG GLU 84 -0.543 7.305 -10.003 636 H LEU 85 H LEU 85 -0.356 5.745 -5.937 637 HA LEU 85 HA LEU 85 2.362 6.729 -6.406 638 1HB LEU 85 1HB LEU 85 2.304 6.387 -4.180 639 2HB LEU 85 2HB LEU 85 1.027 5.189 -4.269 640 HG LEU 85 HG LEU 85 2.635 3.483 -4.983 641 1HD1 LEU 85 1HD1 LEU 85 4.213 4.815 -6.222 642 2HD1 LEU 85 2HD1 LEU 85 4.690 5.697 -4.751 643 3HD1 LEU 85 3HD1 LEU 85 5.070 3.966 -4.913 644 1HD2 LEU 85 1HD2 LEU 85 2.545 3.193 -2.760 645 2HD2 LEU 85 2HD2 LEU 85 4.194 3.863 -2.781 646 3HD2 LEU 85 3HD2 LEU 85 2.808 4.920 -2.416 647 H ASP 86 H ASP 86 3.175 6.009 -8.307 648 HA ASP 86 HA ASP 86 2.341 3.387 -9.188 649 1HB ASP 86 1HB ASP 86 2.447 5.549 -10.657 650 2HB ASP 86 2HB ASP 86 4.183 5.314 -10.656 651 H TYR 87 H TYR 87 3.636 1.774 -8.249 652 HA TYR 87 HA TYR 87 6.410 2.336 -7.666 653 1HB TYR 87 1HB TYR 87 4.501 0.938 -6.392 654 2HB TYR 87 2HB TYR 87 4.900 -0.327 -7.537 655 HD1 TYR 87 1HD TYR 87 6.752 -1.752 -7.175 656 HD2 TYR 87 2HD TYR 87 6.370 1.838 -4.879 657 HE1 TYR 87 1HE TYR 87 8.661 -2.501 -5.672 658 HE2 TYR 87 2HE TYR 87 8.280 1.077 -3.384 659 HH TYR 87 HH TYR 87 10.129 -1.812 -4.152 660 H VAL 88 H VAL 88 8.170 1.667 -8.829 661 HA VAL 88 HA VAL 88 7.618 0.436 -11.387 662 HB VAL 88 HB VAL 88 10.013 1.714 -10.085 663 1HG1 VAL 88 1HG1 VAL 88 10.986 -0.092 -11.297 664 2HG1 VAL 88 2HG1 VAL 88 9.902 0.164 -12.686 665 3HG1 VAL 88 3HG1 VAL 88 11.168 1.359 -12.313 666 1HG2 VAL 88 1HG2 VAL 88 8.124 3.085 -11.100 667 2HG2 VAL 88 2HG2 VAL 88 9.758 3.413 -11.724 668 3HG2 VAL 88 3HG2 VAL 88 8.623 2.430 -12.678 669 H VAL 89 H VAL 89 8.799 -1.482 -12.143 670 HA VAL 89 HA VAL 89 9.655 -3.197 -9.919 671 HB VAL 89 HB VAL 89 7.949 -3.988 -12.289 672 1HG1 VAL 89 1HG1 VAL 89 7.727 -6.122 -10.823 673 2HG1 VAL 89 2HG1 VAL 89 9.204 -5.892 -11.790 674 3HG1 VAL 89 3HG1 VAL 89 9.221 -5.548 -10.043 675 1HG2 VAL 89 1HG2 VAL 89 6.244 -4.476 -10.458 676 2HG2 VAL 89 2HG2 VAL 89 7.271 -3.503 -9.378 677 3HG2 VAL 89 3HG2 VAL 89 6.545 -2.760 -10.823 678 H ASP 90 H ASP 90 11.699 -3.933 -10.182 679 HA ASP 90 HA ASP 90 12.602 -4.703 -12.743 680 1HB ASP 90 1HB ASP 90 13.860 -2.262 -11.403 681 2HB ASP 90 2HB ASP 90 14.591 -3.127 -12.740 682 H PHE 91 H PHE 91 15.350 -4.853 -12.318 683 HA PHE 91 HA PHE 91 16.712 -6.345 -11.341 684 1HB PHE 91 1HB PHE 91 16.673 -3.897 -10.164 685 2HB PHE 91 2HB PHE 91 16.102 -4.810 -8.781 686 HD1 PHE 91 1HD PHE 91 17.798 -5.043 -7.244 687 HD2 PHE 91 2HD PHE 91 18.721 -5.493 -11.362 688 HE1 PHE 91 1HE PHE 91 20.166 -5.624 -6.650 689 HE2 PHE 91 2HE PHE 91 21.089 -6.074 -10.768 690 HZ PHE 91 HZ PHE 91 21.783 -6.132 -8.419 691 H MET 92 H MET 92 16.596 -6.593 -8.212 692 HA MET 92 HA MET 92 14.834 -8.885 -8.317 693 1HB MET 92 1HB MET 92 17.323 -8.112 -6.927 694 2HB MET 92 2HB MET 92 16.152 -8.760 -5.797 695 1HG MET 92 1HG MET 92 17.097 -10.763 -6.477 696 2HG MET 92 2HG MET 92 15.870 -10.634 -7.721 697 1HE MET 92 1HE MET 92 18.288 -12.410 -8.027 698 2HE MET 92 2HE MET 92 19.700 -11.778 -8.907 699 3HE MET 92 3HE MET 92 19.481 -11.395 -7.183 700 H GLY 93 H GLY 93 13.788 -6.083 -8.138 701 1HA GLY 93 1HA GLY 93 11.883 -6.512 -6.067 702 2HA GLY 93 2HA GLY 93 13.057 -5.301 -5.593 703 H GLY 94 H GLY 94 12.704 -3.207 -6.220 704 1HA GLY 94 1HA GLY 94 11.754 -2.434 -8.741 705 2HA GLY 94 2HA GLY 94 10.389 -2.494 -7.643 706 H GLY 95 H GLY 95 10.403 -0.076 -8.155 707 1HA GLY 95 1HA GLY 95 12.088 1.290 -6.157 708 2HA GLY 95 2HA GLY 95 11.987 1.893 -7.799 709 H PHE 96 H PHE 96 11.172 3.847 -6.443 710 HA PHE 96 HA PHE 96 8.269 3.553 -6.104 711 1HB PHE 96 1HB PHE 96 8.898 5.724 -4.590 712 2HB PHE 96 2HB PHE 96 9.012 4.104 -3.933 713 HD1 PHE 96 1HD PHE 96 11.011 3.400 -2.991 714 HD2 PHE 96 2HD PHE 96 11.070 6.639 -5.732 715 HE1 PHE 96 1HE PHE 96 13.445 3.769 -2.502 716 HE2 PHE 96 2HE PHE 96 13.504 7.009 -5.243 717 HZ PHE 96 HZ PHE 96 14.662 5.569 -3.633 718 H THR 97 H THR 97 6.935 5.105 -7.060 719 HA THR 97 HA THR 97 8.059 7.519 -8.132 720 HB THR 97 HB THR 97 7.328 5.143 -9.896 721 HG1 THR 97 1HG THR 97 9.417 7.196 -9.686 722 1HG2 THR 97 1HG2 THR 97 6.211 7.495 -10.537 723 2HG2 THR 97 2HG2 THR 97 7.879 7.906 -11.005 724 3HG2 THR 97 3HG2 THR 97 7.050 6.533 -11.778 725 H ILE 98 H ILE 98 6.505 9.084 -8.563 726 HA ILE 98 HA ILE 98 3.729 8.219 -8.295 727 HB ILE 98 HB ILE 98 4.364 8.790 -6.061 728 1HG1 ILE 98 1HG1 ILE 98 2.972 11.304 -6.560 729 2HG1 ILE 98 2HG1 ILE 98 2.278 9.986 -7.483 730 1HG2 ILE 98 1HG2 ILE 98 5.682 10.504 -5.413 731 2HG2 ILE 98 2HG2 ILE 98 6.256 10.408 -7.096 732 3HG2 ILE 98 3HG2 ILE 98 5.033 11.619 -6.640 733 1HD1 ILE 98 1HD1 ILE 98 1.376 10.343 -5.084 734 2HD1 ILE 98 2HD1 ILE 98 1.838 8.683 -5.528 735 3HD1 ILE 98 3HD1 ILE 98 2.928 9.672 -4.528 736 H ARG 99 H ARG 99 2.233 9.546 -9.407 737 HA ARG 99 HA ARG 99 3.551 11.534 -11.078 738 1HB ARG 99 1HB ARG 99 2.223 9.209 -11.905 739 2HB ARG 99 2HB ARG 99 0.990 10.438 -12.100 740 1HG ARG 99 1HG ARG 99 2.938 11.821 -13.262 741 2HG ARG 99 2HG ARG 99 3.703 10.254 -13.436 742 1HD ARG 99 1HD ARG 99 2.285 9.634 -15.114 743 2HD ARG 99 2HD ARG 99 0.869 10.140 -14.213 744 HE ARG 99 HE ARG 99 2.383 11.754 -16.157 745 1HH1 ARG 99 2HH2 ARG 99 0.010 11.774 -13.559 746 2HH1 ARG 99 1HH2 ARG 99 -0.676 13.295 -14.025 747 1HH2 ARG 99 2HH1 ARG 99 1.479 13.760 -16.773 748 2HH2 ARG 99 1HH1 ARG 99 0.165 14.432 -15.865 749 H ASN 100 H ASN 100 3.010 13.478 -10.067 750 HA ASN 100 HA ASN 100 0.555 13.795 -8.742 751 1HB ASN 100 1HB ASN 100 2.849 15.617 -9.538 752 2HB ASN 100 2HB ASN 100 1.364 16.343 -8.954 753 1HD2 ASN 100 1HD2 ASN 100 0.577 15.802 -6.868 754 2HD2 ASN 100 2HD2 ASN 100 1.640 15.271 -5.608 755 HA PRO 101 HA PRO 101 -1.691 15.017 -12.331 756 1HB PRO 101 1HB PRO 101 -4.039 15.739 -11.133 757 2HB PRO 101 2HB PRO 101 -3.636 14.080 -11.531 758 1HG PRO 101 1HG PRO 101 -3.634 15.405 -8.888 759 2HG PRO 101 2HG PRO 101 -3.654 13.692 -9.257 760 1HD PRO 101 1HD PRO 101 -1.401 15.229 -8.370 761 2HD PRO 101 2HD PRO 101 -1.396 13.544 -8.851 Start of MODEL 6 1 H MET 1 H MET 1 -12.199 1.049 19.673 2 HA MET 1 HA MET 1 -10.368 -0.129 20.810 3 1HB MET 1 1HB MET 1 -12.771 -0.889 22.416 4 2HB MET 1 2HB MET 1 -11.728 -2.243 22.032 5 1HG MET 1 1HG MET 1 -10.384 -1.603 23.750 6 2HG MET 1 2HG MET 1 -9.939 -0.194 22.807 7 1HE MET 1 1HE MET 1 -10.441 1.308 26.230 8 2HE MET 1 2HE MET 1 -10.673 -0.442 26.458 9 3HE MET 1 3HE MET 1 -9.434 0.152 25.327 10 H GLN 2 H GLN 2 -10.794 -0.188 18.302 11 HA GLN 2 HA GLN 2 -10.602 -2.778 17.491 12 1HB GLN 2 1HB GLN 2 -13.262 -2.337 18.089 13 2HB GLN 2 2HB GLN 2 -13.235 -1.959 16.378 14 1HG GLN 2 1HG GLN 2 -12.509 -4.133 15.769 15 2HG GLN 2 2HG GLN 2 -11.862 -4.475 17.361 16 1HE2 GLN 2 1HE2 GLN 2 -13.791 -5.911 15.648 17 2HE2 GLN 2 2HE2 GLN 2 -15.217 -6.159 16.600 18 H GLU 3 H GLU 3 -11.403 -2.777 14.856 19 HA GLU 3 HA GLU 3 -9.685 -0.812 13.796 20 1HB GLU 3 1HB GLU 3 -11.461 -2.952 12.576 21 2HB GLU 3 2HB GLU 3 -10.574 -1.828 11.565 22 1HG GLU 3 1HG GLU 3 -8.443 -2.578 12.418 23 2HG GLU 3 2HG GLU 3 -9.191 -3.435 13.751 24 H GLN 4 H GLN 4 -10.158 1.074 12.618 25 HA GLN 4 HA GLN 4 -12.946 1.876 12.810 26 1HB GLN 4 1HB GLN 4 -11.412 3.361 13.987 27 2HB GLN 4 2HB GLN 4 -10.379 3.500 12.578 28 1HG GLN 4 1HG GLN 4 -11.591 5.302 11.931 29 2HG GLN 4 2HG GLN 4 -12.952 4.235 11.648 30 1HE2 GLN 4 1HE2 GLN 4 -14.331 5.950 12.221 31 2HE2 GLN 4 2HE2 GLN 4 -14.641 6.370 13.873 32 H ALA 5 H ALA 5 -14.151 2.302 10.975 33 HA ALA 5 HA ALA 5 -13.031 1.516 8.475 34 1HB ALA 5 1HB ALA 5 -15.229 0.965 8.407 35 2HB ALA 5 2HB ALA 5 -15.666 2.176 9.635 36 3HB ALA 5 3HB ALA 5 -15.481 2.662 7.933 37 H GLN 6 H GLN 6 -12.133 2.768 6.894 38 HA GLN 6 HA GLN 6 -12.834 5.456 6.573 39 1HB GLN 6 1HB GLN 6 -10.694 6.525 7.178 40 2HB GLN 6 2HB GLN 6 -11.432 5.778 8.581 41 1HG GLN 6 1HG GLN 6 -9.887 3.696 7.556 42 2HG GLN 6 2HG GLN 6 -8.898 5.098 7.198 43 1HE2 GLN 6 1HE2 GLN 6 -9.124 2.768 9.296 44 2HE2 GLN 6 2HE2 GLN 6 -8.710 3.530 10.795 45 H GLN 7 H GLN 7 -12.574 5.851 4.411 46 HA GLN 7 HA GLN 7 -10.501 4.287 3.080 47 1HB GLN 7 1HB GLN 7 -13.198 3.959 2.690 48 2HB GLN 7 2HB GLN 7 -12.851 5.162 1.464 49 1HG GLN 7 1HG GLN 7 -11.889 3.598 0.135 50 2HG GLN 7 2HG GLN 7 -10.747 3.177 1.396 51 1HE2 GLN 7 1HE2 GLN 7 -13.010 1.971 -0.582 52 2HE2 GLN 7 2HE2 GLN 7 -13.580 0.602 0.313 53 H PHE 8 H PHE 8 -8.868 5.796 2.830 54 HA PHE 8 HA PHE 8 -9.543 8.512 2.169 55 1HB PHE 8 1HB PHE 8 -7.302 6.877 3.166 56 2HB PHE 8 2HB PHE 8 -6.741 7.913 1.869 57 HD1 PHE 8 1HD PHE 8 -6.177 7.906 4.972 58 HD2 PHE 8 2HD PHE 8 -8.628 10.250 2.422 59 HE1 PHE 8 1HE PHE 8 -6.012 9.827 6.579 60 HE2 PHE 8 2HE PHE 8 -8.463 12.171 4.029 61 HZ PHE 8 HZ PHE 8 -7.157 11.937 6.088 62 H ILE 9 H ILE 9 -8.510 9.642 0.289 63 HA ILE 9 HA ILE 9 -9.027 8.176 -2.085 64 HB ILE 9 HB ILE 9 -7.804 10.908 -1.687 65 1HG1 ILE 9 1HG1 ILE 9 -10.121 10.417 -0.661 66 2HG1 ILE 9 2HG1 ILE 9 -9.929 11.838 -1.669 67 1HG2 ILE 9 1HG2 ILE 9 -9.126 9.692 -4.128 68 2HG2 ILE 9 2HG2 ILE 9 -8.500 11.351 -3.975 69 3HG2 ILE 9 3HG2 ILE 9 -7.381 9.969 -3.917 70 1HD1 ILE 9 1HD1 ILE 9 -11.977 10.241 -2.085 71 2HD1 ILE 9 2HD1 ILE 9 -11.088 10.883 -3.487 72 3HD1 ILE 9 3HD1 ILE 9 -10.788 9.220 -2.928 73 H PHE 10 H PHE 10 -7.692 6.633 -2.858 74 HA PHE 10 HA PHE 10 -4.949 7.316 -3.310 75 1HB PHE 10 1HB PHE 10 -5.664 6.093 -0.872 76 2HB PHE 10 2HB PHE 10 -5.276 4.709 -1.875 77 HD1 PHE 10 1HD PHE 10 -3.006 4.316 -2.632 78 HD2 PHE 10 2HD PHE 10 -3.940 7.709 -0.261 79 HE1 PHE 10 1HE PHE 10 -0.563 4.673 -2.181 80 HE2 PHE 10 2HE PHE 10 -1.497 8.067 0.190 81 HZ PHE 10 HZ PHE 10 0.163 6.545 -0.776 82 H LYS 11 H LYS 11 -3.991 5.997 -4.926 83 HA LYS 11 HA LYS 11 -5.535 3.712 -5.839 84 1HB LYS 11 1HB LYS 11 -5.155 6.255 -7.399 85 2HB LYS 11 2HB LYS 11 -5.223 4.719 -8.240 86 1HG LYS 11 1HG LYS 11 -7.481 4.730 -8.073 87 2HG LYS 11 2HG LYS 11 -7.351 4.676 -6.327 88 1HD LYS 11 1HD LYS 11 -8.676 6.647 -7.110 89 2HD LYS 11 2HD LYS 11 -7.260 7.126 -6.194 90 1HE LYS 11 1HE LYS 11 -6.099 7.879 -8.115 91 2HE LYS 11 2HE LYS 11 -7.041 6.881 -9.204 92 1HZ LYS 11 1HZ LYS 11 -8.277 8.660 -9.522 93 2HZ LYS 11 2HZ LYS 11 -8.847 8.523 -7.997 94 3HZ LYS 11 3HZ LYS 11 -7.570 9.493 -8.308 95 H VAL 12 H VAL 12 -4.201 2.056 -6.393 96 HA VAL 12 HA VAL 12 -1.446 2.757 -7.098 97 HB VAL 12 HB VAL 12 -2.133 1.853 -4.622 98 1HG1 VAL 12 1HG1 VAL 12 -2.911 -0.306 -5.386 99 2HG1 VAL 12 2HG1 VAL 12 -1.401 -0.577 -6.287 100 3HG1 VAL 12 3HG1 VAL 12 -1.378 -0.522 -4.508 101 1HG2 VAL 12 1HG2 VAL 12 0.151 2.564 -5.934 102 2HG2 VAL 12 2HG2 VAL 12 0.091 1.984 -4.252 103 3HG2 VAL 12 3HG2 VAL 12 0.483 0.854 -5.570 104 H THR 13 H THR 13 -0.753 1.728 -8.916 105 HA THR 13 HA THR 13 -2.554 0.160 -10.398 106 HB THR 13 HB THR 13 -0.676 0.045 -11.970 107 HG1 THR 13 1HG THR 13 0.888 1.073 -9.720 108 1HG2 THR 13 1HG2 THR 13 -1.330 2.546 -10.601 109 2HG2 THR 13 2HG2 THR 13 0.386 2.534 -11.074 110 3HG2 THR 13 3HG2 THR 13 -0.879 2.297 -12.304 111 H ASP 14 H ASP 14 -1.991 -2.065 -11.296 112 HA ASP 14 HA ASP 14 -2.016 -3.818 -9.151 113 1HB ASP 14 1HB ASP 14 -1.721 -4.091 -12.150 114 2HB ASP 14 2HB ASP 14 -1.475 -5.509 -11.150 115 H LYS 15 H LYS 15 0.537 -2.507 -11.269 116 HA LYS 15 HA LYS 15 2.508 -4.417 -10.872 117 1HB LYS 15 1HB LYS 15 2.248 -2.049 -12.265 118 2HB LYS 15 2HB LYS 15 3.449 -1.636 -11.059 119 1HG LYS 15 1HG LYS 15 4.678 -2.528 -12.919 120 2HG LYS 15 2HG LYS 15 4.695 -3.783 -11.696 121 1HD LYS 15 1HD LYS 15 2.548 -4.697 -12.894 122 2HD LYS 15 2HD LYS 15 3.011 -3.654 -14.224 123 1HE LYS 15 1HE LYS 15 5.064 -4.825 -14.592 124 2HE LYS 15 2HE LYS 15 5.030 -5.572 -13.007 125 1HZ LYS 15 1HZ LYS 15 3.334 -6.194 -15.310 126 2HZ LYS 15 2HZ LYS 15 4.337 -7.193 -14.496 127 3HZ LYS 15 3HZ LYS 15 2.946 -6.691 -13.803 128 H ALA 16 H ALA 16 1.573 -1.525 -8.926 129 HA ALA 16 HA ALA 16 3.680 -1.851 -7.066 130 1HB ALA 16 1HB ALA 16 2.684 0.305 -7.313 131 2HB ALA 16 2HB ALA 16 1.044 -0.343 -7.073 132 3HB ALA 16 3HB ALA 16 2.185 -0.279 -5.708 133 H VAL 17 H VAL 17 0.148 -2.696 -7.036 134 HA VAL 17 HA VAL 17 0.115 -3.835 -4.517 135 HB VAL 17 HB VAL 17 -1.499 -4.096 -7.020 136 1HG1 VAL 17 1HG1 VAL 17 -3.020 -5.478 -5.200 137 2HG1 VAL 17 2HG1 VAL 17 -2.056 -6.215 -6.501 138 3HG1 VAL 17 3HG1 VAL 17 -1.386 -6.094 -4.857 139 1HG2 VAL 17 1HG2 VAL 17 -1.550 -2.488 -4.684 140 2HG2 VAL 17 2HG2 VAL 17 -2.708 -2.504 -6.036 141 3HG2 VAL 17 3HG2 VAL 17 -2.980 -3.545 -4.618 142 H GLU 18 H GLU 18 0.796 -5.325 -7.748 143 HA GLU 18 HA GLU 18 1.085 -7.896 -6.805 144 1HB GLU 18 1HB GLU 18 0.966 -6.954 -9.242 145 2HB GLU 18 2HB GLU 18 2.705 -6.782 -9.118 146 1HG GLU 18 1HG GLU 18 1.771 -9.423 -8.181 147 2HG GLU 18 2HG GLU 18 1.323 -9.113 -9.846 148 H GLU 19 H GLU 19 3.485 -5.221 -7.179 149 HA GLU 19 HA GLU 19 5.770 -6.537 -6.699 150 1HB GLU 19 1HB GLU 19 5.727 -4.156 -7.190 151 2HB GLU 19 2HB GLU 19 4.885 -3.801 -5.696 152 1HG GLU 19 1HG GLU 19 7.433 -5.294 -5.325 153 2HG GLU 19 2HG GLU 19 7.634 -3.700 -6.026 154 H ILE 20 H ILE 20 3.193 -5.716 -4.368 155 HA ILE 20 HA ILE 20 4.786 -6.476 -2.105 156 HB ILE 20 HB ILE 20 1.820 -6.198 -2.001 157 1HG1 ILE 20 1HG1 ILE 20 2.187 -4.392 -3.442 158 2HG1 ILE 20 2HG1 ILE 20 2.192 -3.677 -1.842 159 1HG2 ILE 20 1HG2 ILE 20 2.155 -5.616 0.170 160 2HG2 ILE 20 2HG2 ILE 20 3.621 -6.594 -0.076 161 3HG2 ILE 20 3HG2 ILE 20 3.711 -4.818 -0.160 162 1HD1 ILE 20 1HD1 ILE 20 4.271 -2.865 -2.201 163 2HD1 ILE 20 2HD1 ILE 20 4.885 -4.521 -2.423 164 3HD1 ILE 20 3HD1 ILE 20 4.272 -3.604 -3.820 165 H LYS 21 H LYS 21 2.363 -7.935 -4.290 166 HA LYS 21 HA LYS 21 1.745 -10.164 -2.768 167 1HB LYS 21 1HB LYS 21 1.893 -9.868 -5.784 168 2HB LYS 21 2HB LYS 21 1.092 -11.174 -4.932 169 1HG LYS 21 1HG LYS 21 0.397 -8.244 -4.449 170 2HG LYS 21 2HG LYS 21 -0.398 -9.205 -5.680 171 1HD LYS 21 1HD LYS 21 -0.386 -10.732 -3.224 172 2HD LYS 21 2HD LYS 21 -0.957 -9.116 -2.855 173 1HE LYS 21 1HE LYS 21 -2.985 -9.864 -3.596 174 2HE LYS 21 2HE LYS 21 -2.326 -9.630 -5.203 175 1HZ LYS 21 1HZ LYS 21 -3.204 -11.846 -4.879 176 2HZ LYS 21 2HZ LYS 21 -1.603 -11.904 -5.197 177 3HZ LYS 21 3HZ LYS 21 -2.141 -12.132 -3.672 178 H LYS 22 H LYS 22 4.594 -9.375 -4.764 179 HA LYS 22 HA LYS 22 5.605 -12.043 -4.699 180 1HB LYS 22 1HB LYS 22 6.364 -10.921 -6.550 181 2HB LYS 22 2HB LYS 22 6.510 -9.387 -5.717 182 1HG LYS 22 1HG LYS 22 8.632 -9.855 -4.916 183 2HG LYS 22 2HG LYS 22 8.300 -11.563 -4.713 184 1HD LYS 22 1HD LYS 22 8.529 -11.965 -7.119 185 2HD LYS 22 2HD LYS 22 8.632 -10.246 -7.447 186 1HE LYS 22 1HE LYS 22 10.725 -10.229 -5.912 187 2HE LYS 22 2HE LYS 22 10.673 -11.979 -5.991 188 1HZ LYS 22 1HZ LYS 22 10.537 -11.513 -8.516 189 2HZ LYS 22 2HZ LYS 22 11.213 -10.080 -8.119 190 3HZ LYS 22 3HZ LYS 22 11.982 -11.474 -7.755 191 H VAL 23 H VAL 23 6.105 -8.999 -2.840 192 HA VAL 23 HA VAL 23 8.236 -9.990 -1.300 193 HB VAL 23 HB VAL 23 6.418 -7.670 -1.339 194 1HG1 VAL 23 1HG1 VAL 23 7.811 -8.469 1.240 195 2HG1 VAL 23 2HG1 VAL 23 6.992 -6.920 0.926 196 3HG1 VAL 23 3HG1 VAL 23 6.052 -8.431 0.968 197 1HG2 VAL 23 1HG2 VAL 23 9.353 -8.240 -1.191 198 2HG2 VAL 23 2HG2 VAL 23 8.448 -7.162 -2.281 199 3HG2 VAL 23 3HG2 VAL 23 8.765 -6.667 -0.601 200 H ALA 24 H ALA 24 4.658 -10.049 -0.941 201 HA ALA 24 HA ALA 24 4.787 -11.191 1.673 202 1HB ALA 24 1HB ALA 24 2.272 -11.651 0.353 203 2HB ALA 24 2HB ALA 24 2.656 -10.486 1.644 204 3HB ALA 24 3HB ALA 24 2.844 -10.017 -0.063 205 H GLN 25 H GLN 25 4.370 -12.370 -1.705 206 HA GLN 25 HA GLN 25 3.667 -14.944 -1.119 207 1HB GLN 25 1HB GLN 25 4.997 -13.555 -3.415 208 2HB GLN 25 2HB GLN 25 5.129 -15.302 -3.386 209 1HG GLN 25 1HG GLN 25 2.399 -14.500 -2.727 210 2HG GLN 25 2HG GLN 25 2.893 -13.751 -4.232 211 1HE2 GLN 25 1HE2 GLN 25 0.896 -15.632 -4.117 212 2HE2 GLN 25 2HE2 GLN 25 1.379 -17.088 -4.922 213 H GLU 26 H GLU 26 6.948 -13.450 -1.382 214 HA GLU 26 HA GLU 26 8.313 -15.857 -1.026 215 1HB GLU 26 1HB GLU 26 9.145 -13.543 -1.911 216 2HB GLU 26 2HB GLU 26 9.398 -13.138 -0.225 217 1HG GLU 26 1HG GLU 26 10.617 -15.572 -0.257 218 2HG GLU 26 2HG GLU 26 10.842 -15.137 -1.940 219 H ASN 27 H ASN 27 6.538 -13.805 1.148 220 HA ASN 27 HA ASN 27 7.952 -14.940 3.416 221 1HB ASN 27 1HB ASN 27 6.176 -12.519 3.003 222 2HB ASN 27 2HB ASN 27 6.251 -13.223 4.606 223 1HD2 ASN 27 1HD2 ASN 27 7.652 -11.105 2.443 224 2HD2 ASN 27 2HD2 ASN 27 9.178 -10.827 3.214 225 H ASN 28 H ASN 28 5.526 -15.786 1.370 226 HA ASN 28 HA ASN 28 3.796 -17.089 1.454 227 1HB ASN 28 1HB ASN 28 5.354 -18.326 3.164 228 2HB ASN 28 2HB ASN 28 4.318 -17.654 4.408 229 1HD2 ASN 28 1HD2 ASN 28 3.698 -19.738 5.013 230 2HD2 ASN 28 2HD2 ASN 28 2.539 -20.664 4.119 231 H ILE 29 H ILE 29 3.561 -14.230 2.192 232 HA ILE 29 HA ILE 29 1.509 -14.237 4.261 233 HB ILE 29 HB ILE 29 3.119 -12.092 2.900 234 1HG1 ILE 29 1HG1 ILE 29 2.818 -12.761 5.839 235 2HG1 ILE 29 2HG1 ILE 29 4.067 -13.444 4.817 236 1HG2 ILE 29 1HG2 ILE 29 0.767 -11.691 4.769 237 2HG2 ILE 29 2HG2 ILE 29 1.882 -10.425 4.202 238 3HG2 ILE 29 3HG2 ILE 29 0.826 -11.267 3.042 239 1HD1 ILE 29 1HD1 ILE 29 3.817 -10.490 4.603 240 2HD1 ILE 29 2HD1 ILE 29 4.315 -11.079 6.207 241 3HD1 ILE 29 3HD1 ILE 29 5.274 -11.500 4.768 242 H GLU 30 H GLU 30 -0.653 -13.832 3.868 243 HA GLU 30 HA GLU 30 -1.312 -13.591 1.036 244 1HB GLU 30 1HB GLU 30 -2.111 -15.537 2.964 245 2HB GLU 30 2HB GLU 30 -3.530 -14.560 2.642 246 1HG GLU 30 1HG GLU 30 -3.474 -15.038 0.293 247 2HG GLU 30 2HG GLU 30 -1.820 -15.612 0.359 248 H ASN 31 H ASN 31 -0.958 -11.727 3.674 249 HA ASN 31 HA ASN 31 -3.045 -9.963 2.792 250 1HB ASN 31 1HB ASN 31 -3.055 -11.374 5.417 251 2HB ASN 31 2HB ASN 31 -3.237 -9.637 5.559 252 1HD2 ASN 31 1HD2 ASN 31 -4.700 -12.596 4.770 253 2HD2 ASN 31 2HD2 ASN 31 -6.247 -12.025 4.241 254 HA PRO 32 HA PRO 32 0.963 -8.081 3.971 255 1HB PRO 32 1HB PRO 32 1.519 -6.847 1.597 256 2HB PRO 32 2HB PRO 32 2.131 -8.434 2.018 257 1HG PRO 32 1HG PRO 32 -0.043 -7.723 0.146 258 2HG PRO 32 2HG PRO 32 0.857 -9.222 0.264 259 1HD PRO 32 1HD PRO 32 -1.811 -8.745 1.201 260 2HD PRO 32 2HD PRO 32 -0.869 -10.205 1.422 261 H ILE 33 H ILE 33 0.876 -6.378 5.280 262 HA ILE 33 HA ILE 33 -1.052 -4.333 4.454 263 HB ILE 33 HB ILE 33 0.117 -4.970 7.166 264 1HG1 ILE 33 1HG1 ILE 33 -2.779 -5.275 6.441 265 2HG1 ILE 33 2HG1 ILE 33 -1.648 -6.527 5.966 266 1HG2 ILE 33 1HG2 ILE 33 -2.242 -3.301 7.184 267 2HG2 ILE 33 2HG2 ILE 33 -0.646 -3.029 7.924 268 3HG2 ILE 33 3HG2 ILE 33 -0.940 -2.543 6.237 269 1HD1 ILE 33 1HD1 ILE 33 -1.745 -7.367 8.063 270 2HD1 ILE 33 2HD1 ILE 33 -1.006 -5.866 8.671 271 3HD1 ILE 33 3HD1 ILE 33 -2.778 -6.013 8.581 272 H LEU 34 H LEU 34 0.104 -3.020 3.058 273 HA LEU 34 HA LEU 34 2.748 -2.163 3.908 274 1HB LEU 34 1HB LEU 34 1.348 -1.343 1.382 275 2HB LEU 34 2HB LEU 34 3.066 -1.408 1.720 276 HG LEU 34 HG LEU 34 2.684 -3.202 0.277 277 1HD1 LEU 34 1HD1 LEU 34 3.045 -3.926 3.124 278 2HD1 LEU 34 2HD1 LEU 34 2.637 -5.264 2.023 279 3HD1 LEU 34 3HD1 LEU 34 4.070 -4.257 1.707 280 1HD2 LEU 34 1HD2 LEU 34 0.056 -3.075 1.122 281 2HD2 LEU 34 2HD2 LEU 34 0.738 -4.246 -0.032 282 3HD2 LEU 34 3HD2 LEU 34 0.593 -4.675 1.689 283 H ARG 35 H ARG 35 3.256 -0.091 4.582 284 HA ARG 35 HA ARG 35 0.920 1.583 5.011 285 1HB ARG 35 1HB ARG 35 1.953 1.055 7.121 286 2HB ARG 35 2HB ARG 35 3.568 1.304 6.488 287 1HG ARG 35 1HG ARG 35 3.258 3.703 6.365 288 2HG ARG 35 2HG ARG 35 1.531 3.565 6.630 289 1HD ARG 35 1HD ARG 35 2.299 4.181 8.770 290 2HD ARG 35 2HD ARG 35 2.195 2.438 8.917 291 HE ARG 35 HE ARG 35 4.808 3.331 7.956 292 1HH1 ARG 35 2HH2 ARG 35 2.850 2.767 10.825 293 2HH1 ARG 35 1HH2 ARG 35 4.215 2.559 11.872 294 1HH2 ARG 35 2HH1 ARG 35 6.609 3.057 9.337 295 2HH2 ARG 35 1HH1 ARG 35 6.367 2.726 11.019 296 H ILE 36 H ILE 36 1.179 3.954 4.695 297 HA ILE 36 HA ILE 36 2.976 4.480 2.481 298 HB ILE 36 HB ILE 36 0.831 6.215 3.708 299 1HG1 ILE 36 1HG1 ILE 36 -0.407 4.407 2.976 300 2HG1 ILE 36 2HG1 ILE 36 -0.411 5.444 1.563 301 1HG2 ILE 36 1HG2 ILE 36 2.222 6.382 1.021 302 2HG2 ILE 36 2HG2 ILE 36 0.925 7.448 1.611 303 3HG2 ILE 36 3HG2 ILE 36 2.513 7.450 2.415 304 1HD1 ILE 36 1HD1 ILE 36 1.428 3.056 2.044 305 2HD1 ILE 36 2HD1 ILE 36 0.097 3.156 0.866 306 3HD1 ILE 36 3HD1 ILE 36 1.555 4.155 0.649 307 H ARG 37 H ARG 37 4.853 5.612 2.630 308 HA ARG 37 HA ARG 37 5.184 7.385 4.853 309 1HB ARG 37 1HB ARG 37 6.095 4.789 5.186 310 2HB ARG 37 2HB ARG 37 7.521 5.556 4.516 311 1HG ARG 37 1HG ARG 37 7.974 6.436 6.553 312 2HG ARG 37 2HG ARG 37 6.510 7.393 6.444 313 1HD ARG 37 1HD ARG 37 5.188 5.655 7.522 314 2HD ARG 37 2HD ARG 37 6.495 4.494 7.399 315 HE ARG 37 HE ARG 37 7.483 5.434 9.302 316 1HH1 ARG 37 2HH2 ARG 37 5.111 7.686 8.003 317 2HH1 ARG 37 1HH2 ARG 37 5.225 8.778 9.343 318 1HH2 ARG 37 2HH1 ARG 37 7.633 6.874 11.070 319 2HH2 ARG 37 1HH1 ARG 37 6.669 8.313 11.099 320 H VAL 38 H VAL 38 6.129 9.220 4.013 321 HA VAL 38 HA VAL 38 7.239 9.123 1.379 322 HB VAL 38 HB VAL 38 6.922 11.327 3.424 323 1HG1 VAL 38 1HG1 VAL 38 8.690 11.352 1.300 324 2HG1 VAL 38 2HG1 VAL 38 7.239 12.123 0.616 325 3HG1 VAL 38 3HG1 VAL 38 7.988 12.785 2.088 326 1HG2 VAL 38 1HG2 VAL 38 5.166 10.128 1.389 327 2HG2 VAL 38 2HG2 VAL 38 4.768 11.121 2.811 328 3HG2 VAL 38 3HG2 VAL 38 5.278 11.902 1.295 329 H VAL 39 H VAL 39 9.340 8.835 0.822 330 HA VAL 39 HA VAL 39 11.273 8.823 3.017 331 HB VAL 39 HB VAL 39 11.047 7.462 0.358 332 1HG1 VAL 39 1HG1 VAL 39 13.377 6.755 0.456 333 2HG1 VAL 39 2HG1 VAL 39 13.280 8.531 0.372 334 3HG1 VAL 39 3HG1 VAL 39 13.637 7.731 1.921 335 1HG2 VAL 39 1HG2 VAL 39 10.909 6.733 3.161 336 2HG2 VAL 39 2HG2 VAL 39 10.478 5.785 1.717 337 3HG2 VAL 39 3HG2 VAL 39 12.154 5.779 2.318 338 HA PRO 40 HA PRO 40 12.956 12.485 1.417 339 1HB PRO 40 1HB PRO 40 15.244 12.593 2.907 340 2HB PRO 40 2HB PRO 40 13.687 13.134 3.502 341 1HG PRO 40 1HG PRO 40 15.169 10.664 4.167 342 2HG PRO 40 2HG PRO 40 13.853 11.423 5.040 343 1HD PRO 40 1HD PRO 40 13.688 9.098 3.368 344 2HD PRO 40 2HD PRO 40 12.354 9.925 4.148 345 H GLY 41 H GLY 41 13.096 11.507 -0.725 346 1HA GLY 41 1HA GLY 41 15.943 11.277 -1.415 347 2HA GLY 41 2HA GLY 41 14.855 9.975 -1.855 348 H GLY 42 H GLY 42 12.570 11.041 -2.774 349 1HA GLY 42 1HA GLY 42 13.077 11.894 -5.325 350 2HA GLY 42 2HA GLY 42 11.580 12.163 -4.456 351 H CYS 43 H CYS 43 14.461 13.615 -5.753 352 HA CYS 43 HA CYS 43 14.399 15.969 -4.180 353 1HB CYS 43 1HB CYS 43 16.078 16.808 -5.665 354 2HB CYS 43 2HB CYS 43 16.424 15.115 -5.378 355 HG CYS 43 HG CYS 43 14.641 14.581 -7.575 356 H SER 44 H SER 44 12.674 14.690 -6.972 357 HA SER 44 HA SER 44 11.561 17.343 -7.438 358 1HB SER 44 1HB SER 44 12.742 15.925 -9.325 359 2HB SER 44 2HB SER 44 11.246 15.012 -9.347 360 HG SER 44 HG SER 44 11.701 17.242 -10.662 361 H GLY 45 H GLY 45 10.934 13.930 -6.647 362 1HA GLY 45 1HA GLY 45 8.273 14.628 -5.724 363 2HA GLY 45 2HA GLY 45 8.326 13.501 -7.064 364 H PHE 46 H PHE 46 8.575 13.875 -3.646 365 HA PHE 46 HA PHE 46 10.212 11.660 -3.066 366 1HB PHE 46 1HB PHE 46 7.887 12.911 -1.488 367 2HB PHE 46 2HB PHE 46 9.224 12.016 -0.793 368 HD1 PHE 46 1HD PHE 46 11.445 13.030 -0.620 369 HD2 PHE 46 2HD PHE 46 8.158 15.213 -2.181 370 HE1 PHE 46 1HE PHE 46 12.726 15.168 -0.327 371 HE2 PHE 46 2HE PHE 46 9.439 17.351 -1.889 372 HZ PHE 46 HZ PHE 46 11.708 17.303 -0.965 373 H GLN 47 H GLN 47 9.693 9.671 -3.926 374 HA GLN 47 HA GLN 47 6.923 8.900 -3.949 375 1HB GLN 47 1HB GLN 47 7.923 6.794 -5.064 376 2HB GLN 47 2HB GLN 47 8.051 8.303 -5.946 377 1HG GLN 47 1HG GLN 47 10.309 7.671 -4.075 378 2HG GLN 47 2HG GLN 47 10.174 6.651 -5.494 379 1HE2 GLN 47 1HE2 GLN 47 9.663 7.918 -7.569 380 2HE2 GLN 47 2HE2 GLN 47 10.627 9.326 -7.872 381 H TYR 48 H TYR 48 6.003 7.909 -2.212 382 HA TYR 48 HA TYR 48 7.689 6.847 -0.140 383 1HB TYR 48 1HB TYR 48 5.398 6.523 0.907 384 2HB TYR 48 2HB TYR 48 5.587 8.148 0.280 385 HD1 TYR 48 1HD TYR 48 3.891 4.919 -0.174 386 HD2 TYR 48 2HD TYR 48 4.337 8.895 -1.688 387 HE1 TYR 48 1HE TYR 48 1.787 4.630 -1.572 388 HE2 TYR 48 2HE TYR 48 2.232 8.593 -3.081 389 HH TYR 48 HH TYR 48 0.812 7.087 -3.889 390 H ALA 49 H ALA 49 8.501 4.815 -0.176 391 HA ALA 49 HA ALA 49 7.339 2.862 -1.937 392 1HB ALA 49 1HB ALA 49 9.561 2.434 -1.965 393 2HB ALA 49 2HB ALA 49 9.833 3.286 -0.425 394 3HB ALA 49 3HB ALA 49 9.280 1.594 -0.421 395 H MET 50 H MET 50 6.736 0.654 -1.150 396 HA MET 50 HA MET 50 5.151 0.971 1.243 397 1HB MET 50 1HB MET 50 5.196 -0.867 -1.163 398 2HB MET 50 2HB MET 50 4.472 -1.492 0.305 399 1HG MET 50 1HG MET 50 2.595 -0.242 0.004 400 2HG MET 50 2HG MET 50 3.529 1.230 -0.173 401 1HE MET 50 1HE MET 50 1.299 -1.212 -1.651 402 2HE MET 50 2HE MET 50 0.778 0.471 -1.903 403 3HE MET 50 3HE MET 50 1.104 -0.578 -3.303 404 H GLY 51 H GLY 51 4.900 -1.315 2.504 405 1HA GLY 51 1HA GLY 51 7.093 -3.046 2.669 406 2HA GLY 51 2HA GLY 51 7.353 -1.744 3.814 407 H PHE 52 H PHE 52 6.255 -4.818 3.674 408 HA PHE 52 HA PHE 52 3.762 -4.660 4.978 409 1HB PHE 52 1HB PHE 52 4.034 -7.044 5.028 410 2HB PHE 52 2HB PHE 52 5.030 -6.583 3.662 411 HD1 PHE 52 1HD PHE 52 4.955 -8.278 6.778 412 HD2 PHE 52 2HD PHE 52 7.547 -6.214 4.126 413 HE1 PHE 52 1HE PHE 52 6.935 -9.395 7.843 414 HE2 PHE 52 2HE PHE 52 9.526 -7.331 5.191 415 HZ PHE 52 HZ PHE 52 9.197 -8.908 7.037 416 H ASP 53 H ASP 53 3.298 -4.156 7.065 417 HA ASP 53 HA ASP 53 5.542 -4.073 8.892 418 1HB ASP 53 1HB ASP 53 3.615 -2.223 8.412 419 2HB ASP 53 2HB ASP 53 2.790 -3.131 9.664 420 H ASP 54 H ASP 54 4.654 -4.562 11.346 421 HA ASP 54 HA ASP 54 4.031 -7.264 11.359 422 1HB ASP 54 1HB ASP 54 4.712 -5.190 13.250 423 2HB ASP 54 2HB ASP 54 3.314 -6.040 13.877 424 H THR 55 H THR 55 2.136 -4.245 12.017 425 HA THR 55 HA THR 55 -0.294 -5.455 11.187 426 HB THR 55 HB THR 55 0.171 -6.377 13.594 427 HG1 THR 55 1HG THR 55 -2.009 -6.555 13.269 428 1HG2 THR 55 1HG2 THR 55 -0.882 -3.585 14.277 429 2HG2 THR 55 2HG2 THR 55 -0.516 -4.902 15.417 430 3HG2 THR 55 3HG2 THR 55 0.805 -4.084 14.549 431 H VAL 56 H VAL 56 -2.204 -3.828 11.982 432 HA VAL 56 HA VAL 56 -1.335 -1.315 10.887 433 HB VAL 56 HB VAL 56 -3.522 -2.714 10.500 434 1HG1 VAL 56 1HG1 VAL 56 -4.315 -2.804 12.774 435 2HG1 VAL 56 2HG1 VAL 56 -4.239 -1.032 12.923 436 3HG1 VAL 56 3HG1 VAL 56 -5.427 -1.784 11.831 437 1HG2 VAL 56 1HG2 VAL 56 -3.890 -0.960 9.177 438 2HG2 VAL 56 2HG2 VAL 56 -4.508 -0.037 10.568 439 3HG2 VAL 56 3HG2 VAL 56 -2.777 0.026 10.156 440 H GLU 57 H GLU 57 -1.772 0.778 11.944 441 HA GLU 57 HA GLU 57 -0.957 0.630 14.665 442 1HB GLU 57 1HB GLU 57 -1.760 3.155 13.179 443 2HB GLU 57 2HB GLU 57 -0.627 2.999 14.507 444 1HG GLU 57 1HG GLU 57 0.856 1.588 13.003 445 2HG GLU 57 2HG GLU 57 -0.247 1.907 11.679 446 H GLU 58 H GLU 58 -2.116 2.289 16.267 447 HA GLU 58 HA GLU 58 -4.835 1.387 16.348 448 1HB GLU 58 1HB GLU 58 -3.052 1.613 18.310 449 2HB GLU 58 2HB GLU 58 -3.627 3.267 18.381 450 1HG GLU 58 1HG GLU 58 -5.702 2.664 19.193 451 2HG GLU 58 2HG GLU 58 -5.779 1.205 18.225 452 H GLY 59 H GLY 59 -3.881 3.396 14.280 453 1HA GLY 59 1HA GLY 59 -6.118 5.049 14.217 454 2HA GLY 59 2HA GLY 59 -4.829 5.970 14.968 455 H ASP 60 H ASP 60 -5.008 3.545 12.253 456 HA ASP 60 HA ASP 60 -3.607 5.538 10.649 457 1HB ASP 60 1HB ASP 60 -2.643 3.047 11.397 458 2HB ASP 60 2HB ASP 60 -3.375 2.678 9.848 459 H HIS 61 H HIS 61 -4.519 5.908 8.566 460 HA HIS 61 HA HIS 61 -7.157 5.059 8.160 461 1HB HIS 61 1HB HIS 61 -5.230 6.846 6.918 462 2HB HIS 61 2HB HIS 61 -6.156 5.982 5.706 463 HD1 HIS 61 1HD HIS 61 -6.690 8.243 8.734 464 HD2 HIS 61 2HD HIS 61 -8.734 6.904 5.324 465 HE1 HIS 61 1HE HIS 61 -8.849 9.599 8.616 466 H VAL 62 H VAL 62 -7.476 2.849 8.007 467 HA VAL 62 HA VAL 62 -5.704 1.239 6.444 468 HB VAL 62 HB VAL 62 -7.448 0.845 8.536 469 1HG1 VAL 62 1HG1 VAL 62 -9.409 0.790 7.124 470 2HG1 VAL 62 2HG1 VAL 62 -8.646 -0.394 6.037 471 3HG1 VAL 62 3HG1 VAL 62 -9.070 -0.859 7.702 472 1HG2 VAL 62 1HG2 VAL 62 -5.649 -0.753 6.862 473 2HG2 VAL 62 2HG2 VAL 62 -5.862 -0.740 8.629 474 3HG2 VAL 62 3HG2 VAL 62 -6.947 -1.715 7.608 475 H PHE 63 H PHE 63 -5.717 1.178 4.262 476 HA PHE 63 HA PHE 63 -8.303 1.661 2.956 477 1HB PHE 63 1HB PHE 63 -6.202 3.274 2.747 478 2HB PHE 63 2HB PHE 63 -5.488 1.993 1.787 479 HD1 PHE 63 1HD PHE 63 -8.881 3.568 1.921 480 HD2 PHE 63 2HD PHE 63 -5.538 2.479 -0.456 481 HE1 PHE 63 1HE PHE 63 -10.046 4.448 -0.121 482 HE2 PHE 63 2HE PHE 63 -6.703 3.360 -2.498 483 HZ PHE 63 HZ PHE 63 -8.942 4.334 -2.306 484 H GLU 64 H GLU 64 -9.154 -0.083 1.933 485 HA GLU 64 HA GLU 64 -7.605 -2.429 1.695 486 1HB GLU 64 1HB GLU 64 -10.377 -1.763 0.610 487 2HB GLU 64 2HB GLU 64 -9.680 -3.370 0.657 488 1HG GLU 64 1HG GLU 64 -9.509 -3.249 3.135 489 2HG GLU 64 2HG GLU 64 -10.139 -1.614 3.115 490 H TYR 65 H TYR 65 -6.394 -3.149 -0.019 491 HA TYR 65 HA TYR 65 -6.486 -1.512 -2.445 492 1HB TYR 65 1HB TYR 65 -4.545 -3.302 -0.929 493 2HB TYR 65 2HB TYR 65 -4.311 -3.168 -2.660 494 HD1 TYR 65 1HD TYR 65 -5.257 -0.640 -0.045 495 HD2 TYR 65 2HD TYR 65 -2.477 -1.809 -3.080 496 HE1 TYR 65 1HE TYR 65 -3.967 1.525 0.291 497 HE2 TYR 65 2HE TYR 65 -1.197 0.360 -2.733 498 HH TYR 65 HH TYR 65 -2.487 2.942 -0.919 499 H ASP 66 H ASP 66 -5.340 -3.275 -4.274 500 HA ASP 66 HA ASP 66 -7.595 -4.701 -5.055 501 1HB ASP 66 1HB ASP 66 -5.445 -3.776 -6.362 502 2HB ASP 66 2HB ASP 66 -4.833 -5.393 -6.073 503 H GLY 67 H GLY 67 -7.789 -5.942 -2.878 504 1HA GLY 67 1HA GLY 67 -7.838 -8.024 -1.971 505 2HA GLY 67 2HA GLY 67 -6.746 -8.602 -3.213 506 H VAL 68 H VAL 68 -6.119 -5.743 -1.132 507 HA VAL 68 HA VAL 68 -4.392 -7.263 0.601 508 HB VAL 68 HB VAL 68 -3.268 -5.174 -1.276 509 1HG1 VAL 68 1HG1 VAL 68 -1.070 -5.983 -0.243 510 2HG1 VAL 68 2HG1 VAL 68 -2.105 -4.946 0.767 511 3HG1 VAL 68 3HG1 VAL 68 -2.069 -6.704 1.042 512 1HG2 VAL 68 1HG2 VAL 68 -3.619 -7.226 -2.488 513 2HG2 VAL 68 2HG2 VAL 68 -1.882 -7.077 -2.130 514 3HG2 VAL 68 3HG2 VAL 68 -2.895 -8.184 -1.173 515 H LYS 69 H LYS 69 -3.525 -5.858 2.375 516 HA LYS 69 HA LYS 69 -5.433 -3.694 2.857 517 1HB LYS 69 1HB LYS 69 -4.349 -5.836 4.466 518 2HB LYS 69 2HB LYS 69 -3.979 -4.292 5.206 519 1HG LYS 69 1HG LYS 69 -6.630 -3.955 4.370 520 2HG LYS 69 2HG LYS 69 -6.593 -5.634 4.871 521 1HD LYS 69 1HD LYS 69 -5.408 -4.801 7.029 522 2HD LYS 69 2HD LYS 69 -5.871 -3.185 6.532 523 1HE LYS 69 1HE LYS 69 -7.903 -3.530 7.481 524 2HE LYS 69 2HE LYS 69 -8.234 -4.731 6.248 525 1HZ LYS 69 1HZ LYS 69 -7.622 -6.413 7.629 526 2HZ LYS 69 2HZ LYS 69 -6.626 -5.499 8.545 527 3HZ LYS 69 3HZ LYS 69 -8.245 -5.374 8.725 528 H VAL 70 H VAL 70 -4.645 -1.679 3.838 529 HA VAL 70 HA VAL 70 -1.809 -1.199 3.698 530 HB VAL 70 HB VAL 70 -3.768 -0.042 1.730 531 1HG1 VAL 70 1HG1 VAL 70 -1.110 1.155 2.577 532 2HG1 VAL 70 2HG1 VAL 70 -2.025 1.633 1.127 533 3HG1 VAL 70 3HG1 VAL 70 -2.722 1.891 2.744 534 1HG2 VAL 70 1HG2 VAL 70 -1.490 -0.452 0.357 535 2HG2 VAL 70 2HG2 VAL 70 -1.280 -1.674 1.634 536 3HG2 VAL 70 3HG2 VAL 70 -2.723 -1.714 0.592 537 H VAL 71 H VAL 71 -1.298 1.041 4.529 538 HA VAL 71 HA VAL 71 -3.494 2.299 5.945 539 HB VAL 71 HB VAL 71 -2.701 1.992 8.076 540 1HG1 VAL 71 1HG1 VAL 71 -2.122 -0.451 8.339 541 2HG1 VAL 71 2HG1 VAL 71 -3.579 -0.118 7.373 542 3HG1 VAL 71 3HG1 VAL 71 -2.056 -0.555 6.563 543 1HG2 VAL 71 1HG2 VAL 71 -0.421 2.720 7.775 544 2HG2 VAL 71 2HG2 VAL 71 -0.407 1.155 8.622 545 3HG2 VAL 71 3HG2 VAL 71 -0.014 1.232 6.888 546 H ILE 72 H ILE 72 -3.332 4.412 5.427 547 HA ILE 72 HA ILE 72 -0.702 5.414 4.676 548 HB ILE 72 HB ILE 72 -3.311 6.883 4.435 549 1HG1 ILE 72 1HG1 ILE 72 -2.218 4.969 2.358 550 2HG1 ILE 72 2HG1 ILE 72 -3.503 4.552 3.474 551 1HG2 ILE 72 1HG2 ILE 72 -2.198 8.013 2.604 552 2HG2 ILE 72 2HG2 ILE 72 -1.207 8.121 4.079 553 3HG2 ILE 72 3HG2 ILE 72 -0.766 6.972 2.792 554 1HD1 ILE 72 1HD1 ILE 72 -4.950 6.294 2.603 555 2HD1 ILE 72 2HD1 ILE 72 -3.621 6.990 1.645 556 3HD1 ILE 72 3HD1 ILE 72 -4.293 5.401 1.210 557 H ASP 73 H ASP 73 0.367 7.058 5.772 558 HA ASP 73 HA ASP 73 -0.379 7.326 8.481 559 1HB ASP 73 1HB ASP 73 1.861 8.198 6.704 560 2HB ASP 73 2HB ASP 73 1.573 9.231 8.089 561 HA PRO 74 HA PRO 74 -2.470 11.166 8.142 562 1HB PRO 74 1HB PRO 74 -1.889 12.410 10.504 563 2HB PRO 74 2HB PRO 74 -3.095 11.147 10.358 564 1HG PRO 74 1HG PRO 74 -0.378 10.991 11.514 565 2HG PRO 74 2HG PRO 74 -1.729 9.897 11.733 566 1HD PRO 74 1HD PRO 74 0.569 9.475 10.070 567 2HD PRO 74 2HD PRO 74 -0.835 8.435 10.200 568 H PHE 75 H PHE 75 0.925 11.241 8.645 569 HA PHE 75 HA PHE 75 1.037 14.041 7.917 570 1HB PHE 75 1HB PHE 75 2.837 11.826 8.924 571 2HB PHE 75 2HB PHE 75 3.627 13.083 7.991 572 HD1 PHE 75 1HD PHE 75 3.416 15.483 8.778 573 HD2 PHE 75 2HD PHE 75 2.253 12.182 11.178 574 HE1 PHE 75 1HE PHE 75 3.525 16.932 10.824 575 HE2 PHE 75 2HE PHE 75 2.362 13.632 13.224 576 HZ PHE 75 HZ PHE 75 2.997 15.989 13.023 577 H SER 76 H SER 76 1.463 10.811 6.500 578 HA SER 76 HA SER 76 2.761 11.924 4.193 579 1HB SER 76 1HB SER 76 3.418 9.694 5.121 580 2HB SER 76 2HB SER 76 1.817 9.079 4.762 581 HG SER 76 HG SER 76 2.270 9.691 2.463 582 H MET 77 H MET 77 -0.443 11.255 5.370 583 HA MET 77 HA MET 77 -1.745 10.562 3.055 584 1HB MET 77 1HB MET 77 -2.373 11.362 5.743 585 2HB MET 77 2HB MET 77 -3.331 12.397 4.702 586 1HG MET 77 1HG MET 77 -3.243 9.417 4.149 587 2HG MET 77 2HG MET 77 -4.264 10.018 5.440 588 1HE MET 77 1HE MET 77 -5.070 10.014 1.051 589 2HE MET 77 2HE MET 77 -3.472 10.664 1.489 590 3HE MET 77 3HE MET 77 -3.961 9.049 2.054 591 HA PRO 78 HA PRO 78 -2.269 15.211 2.261 592 1HB PRO 78 1HB PRO 78 -0.853 17.021 3.740 593 2HB PRO 78 2HB PRO 78 -2.505 16.567 4.107 594 1HG PRO 78 1HG PRO 78 -0.014 15.768 5.484 595 2HG PRO 78 2HG PRO 78 -1.665 15.684 6.065 596 1HD PRO 78 1HD PRO 78 -0.072 13.502 5.102 597 2HD PRO 78 2HD PRO 78 -1.758 13.440 5.574 598 H TYR 79 H TYR 79 0.398 13.406 2.377 599 HA TYR 79 HA TYR 79 2.006 15.304 0.844 600 1HB TYR 79 1HB TYR 79 2.482 13.373 2.835 601 2HB TYR 79 2HB TYR 79 2.866 12.474 1.381 602 HD1 TYR 79 1HD TYR 79 4.342 14.036 -0.368 603 HD2 TYR 79 2HD TYR 79 4.300 14.324 3.900 604 HE1 TYR 79 1HE TYR 79 6.650 15.101 -0.410 605 HE2 TYR 79 2HE TYR 79 6.608 15.389 3.844 606 HH TYR 79 HH TYR 79 8.642 15.155 1.519 607 H VAL 80 H VAL 80 0.055 12.350 0.556 608 HA VAL 80 HA VAL 80 0.549 12.444 -2.325 609 HB VAL 80 HB VAL 80 0.722 10.043 -2.434 610 1HG1 VAL 80 1HG1 VAL 80 2.667 11.765 -1.319 611 2HG1 VAL 80 2HG1 VAL 80 2.765 10.240 -0.405 612 3HG1 VAL 80 3HG1 VAL 80 2.930 10.228 -2.177 613 1HG2 VAL 80 1HG2 VAL 80 -0.572 10.007 -0.001 614 2HG2 VAL 80 2HG2 VAL 80 0.201 8.608 -0.784 615 3HG2 VAL 80 3HG2 VAL 80 1.090 9.545 0.440 616 H ASN 81 H ASN 81 -1.572 13.642 -0.800 617 HA ASN 81 HA ASN 81 -3.757 11.859 -0.753 618 1HB ASN 81 1HB ASN 81 -3.581 13.919 0.690 619 2HB ASN 81 2HB ASN 81 -3.694 14.924 -0.742 620 1HD2 ASN 81 1HD2 ASN 81 -5.595 15.779 -1.015 621 2HD2 ASN 81 2HD2 ASN 81 -7.135 15.068 -0.664 622 H GLY 82 H GLY 82 -5.619 11.898 -2.244 623 1HA GLY 82 1HA GLY 82 -6.474 11.826 -4.331 624 2HA GLY 82 2HA GLY 82 -6.096 13.537 -4.356 625 H ALA 83 H ALA 83 -3.988 10.573 -4.362 626 HA ALA 83 HA ALA 83 -3.192 11.099 -7.075 627 1HB ALA 83 1HB ALA 83 -1.768 12.344 -4.963 628 2HB ALA 83 2HB ALA 83 -0.766 10.973 -5.497 629 3HB ALA 83 3HB ALA 83 -1.281 12.209 -6.670 630 H GLU 84 H GLU 84 -2.015 9.290 -7.983 631 HA GLU 84 HA GLU 84 -2.379 6.920 -6.341 632 1HB GLU 84 1HB GLU 84 -2.347 5.674 -8.492 633 2HB GLU 84 2HB GLU 84 -3.595 6.904 -8.471 634 1HG GLU 84 1HG GLU 84 -2.472 8.282 -9.999 635 2HG GLU 84 2HG GLU 84 -0.888 7.685 -9.544 636 H LEU 85 H LEU 85 -0.699 5.102 -6.776 637 HA LEU 85 HA LEU 85 1.950 6.334 -7.089 638 1HB LEU 85 1HB LEU 85 2.090 5.922 -4.890 639 2HB LEU 85 2HB LEU 85 0.806 4.730 -4.906 640 HG LEU 85 HG LEU 85 2.463 3.112 -5.948 641 1HD1 LEU 85 1HD1 LEU 85 4.028 5.288 -6.360 642 2HD1 LEU 85 2HD1 LEU 85 4.735 4.652 -4.855 643 3HD1 LEU 85 3HD1 LEU 85 4.628 3.613 -6.296 644 1HD2 LEU 85 1HD2 LEU 85 3.657 3.728 -3.339 645 2HD2 LEU 85 2HD2 LEU 85 1.877 3.685 -3.330 646 3HD2 LEU 85 3HD2 LEU 85 2.799 2.274 -3.902 647 H ASP 86 H ASP 86 2.656 5.711 -9.069 648 HA ASP 86 HA ASP 86 1.941 3.045 -9.934 649 1HB ASP 86 1HB ASP 86 2.506 3.768 -12.146 650 2HB ASP 86 2HB ASP 86 1.655 5.114 -11.416 651 H TYR 87 H TYR 87 3.525 1.408 -10.070 652 HA TYR 87 HA TYR 87 6.140 2.048 -9.019 653 1HB TYR 87 1HB TYR 87 4.397 -0.024 -8.722 654 2HB TYR 87 2HB TYR 87 5.197 -0.619 -10.164 655 HD1 TYR 87 1HD TYR 87 6.236 0.908 -6.884 656 HD2 TYR 87 2HD TYR 87 6.878 -2.163 -9.794 657 HE1 TYR 87 1HE TYR 87 8.099 -0.068 -5.455 658 HE2 TYR 87 2HE TYR 87 8.738 -3.127 -8.355 659 HH TYR 87 HH TYR 87 9.209 -2.147 -5.124 660 H VAL 88 H VAL 88 8.007 2.249 -10.179 661 HA VAL 88 HA VAL 88 7.765 1.838 -13.065 662 HB VAL 88 HB VAL 88 9.606 3.486 -11.333 663 1HG1 VAL 88 1HG1 VAL 88 10.756 4.212 -13.357 664 2HG1 VAL 88 2HG1 VAL 88 10.905 2.449 -13.165 665 3HG1 VAL 88 3HG1 VAL 88 9.755 3.122 -14.345 666 1HG2 VAL 88 1HG2 VAL 88 8.534 5.361 -12.189 667 2HG2 VAL 88 2HG2 VAL 88 7.932 4.495 -13.622 668 3HG2 VAL 88 3HG2 VAL 88 7.191 4.204 -12.030 669 H VAL 89 H VAL 89 9.330 0.605 -14.222 670 HA VAL 89 HA VAL 89 11.063 -1.031 -12.509 671 HB VAL 89 HB VAL 89 9.527 -2.050 -14.899 672 1HG1 VAL 89 1HG1 VAL 89 11.702 -3.085 -13.396 673 2HG1 VAL 89 2HG1 VAL 89 10.267 -4.048 -12.971 674 3HG1 VAL 89 3HG1 VAL 89 10.761 -3.892 -14.674 675 1HG2 VAL 89 1HG2 VAL 89 8.818 -2.287 -11.956 676 2HG2 VAL 89 2HG2 VAL 89 7.904 -1.406 -13.203 677 3HG2 VAL 89 3HG2 VAL 89 8.031 -3.180 -13.279 678 H ASP 90 H ASP 90 13.122 -0.490 -13.009 679 HA ASP 90 HA ASP 90 13.953 -0.702 -15.696 680 1HB ASP 90 1HB ASP 90 12.996 1.781 -15.160 681 2HB ASP 90 2HB ASP 90 14.616 1.989 -14.524 682 H PHE 91 H PHE 91 16.305 1.190 -15.083 683 HA PHE 91 HA PHE 91 18.031 -0.639 -13.954 684 1HB PHE 91 1HB PHE 91 18.185 1.759 -15.257 685 2HB PHE 91 2HB PHE 91 18.412 2.358 -13.626 686 HD1 PHE 91 1HD PHE 91 19.850 0.260 -16.273 687 HD2 PHE 91 2HD PHE 91 20.446 1.923 -12.415 688 HE1 PHE 91 1HE PHE 91 22.287 -0.328 -16.396 689 HE2 PHE 91 2HE PHE 91 22.884 1.335 -12.538 690 HZ PHE 91 HZ PHE 91 23.775 0.217 -14.527 691 H MET 92 H MET 92 15.623 1.308 -12.416 692 HA MET 92 HA MET 92 17.060 1.440 -9.933 693 1HB MET 92 1HB MET 92 14.722 2.697 -11.185 694 2HB MET 92 2HB MET 92 14.292 2.114 -9.590 695 1HG MET 92 1HG MET 92 15.698 3.605 -8.505 696 2HG MET 92 2HG MET 92 16.917 3.542 -9.763 697 1HE MET 92 1HE MET 92 16.103 6.339 -8.429 698 2HE MET 92 2HE MET 92 17.340 6.002 -9.663 699 3HE MET 92 3HE MET 92 16.145 7.293 -9.931 700 H GLY 93 H GLY 93 16.066 -1.167 -11.365 701 1HA GLY 93 1HA GLY 93 14.993 -3.091 -10.836 702 2HA GLY 93 2HA GLY 93 15.760 -2.833 -9.281 703 H GLY 94 H GLY 94 12.771 -2.319 -11.192 704 1HA GLY 94 1HA GLY 94 10.686 -1.673 -10.545 705 2HA GLY 94 2HA GLY 94 10.912 -2.992 -9.414 706 H GLY 95 H GLY 95 11.053 0.545 -9.861 707 1HA GLY 95 1HA GLY 95 11.342 0.878 -6.941 708 2HA GLY 95 2HA GLY 95 11.765 2.067 -8.157 709 H PHE 96 H PHE 96 10.295 3.368 -6.578 710 HA PHE 96 HA PHE 96 7.496 2.990 -7.376 711 1HB PHE 96 1HB PHE 96 8.741 4.511 -5.010 712 2HB PHE 96 2HB PHE 96 7.033 4.182 -5.224 713 HD1 PHE 96 1HD PHE 96 10.302 2.487 -4.723 714 HD2 PHE 96 2HD PHE 96 6.084 2.243 -4.329 715 HE1 PHE 96 1HE PHE 96 10.548 0.358 -3.417 716 HE2 PHE 96 2HE PHE 96 6.330 0.114 -3.022 717 HZ PHE 96 HZ PHE 96 8.558 -0.803 -2.582 718 H THR 97 H THR 97 6.275 4.810 -8.072 719 HA THR 97 HA THR 97 7.670 7.353 -8.288 720 HB THR 97 HB THR 97 6.823 5.587 -10.627 721 HG1 THR 97 1HG THR 97 9.116 7.299 -9.976 722 1HG2 THR 97 1HG2 THR 97 6.533 7.400 -12.005 723 2HG2 THR 97 2HG2 THR 97 6.268 8.337 -10.515 724 3HG2 THR 97 3HG2 THR 97 7.888 8.276 -11.251 725 H ILE 98 H ILE 98 6.310 9.139 -8.384 726 HA ILE 98 HA ILE 98 3.523 8.463 -7.815 727 HB ILE 98 HB ILE 98 5.159 10.934 -7.240 728 1HG1 ILE 98 1HG1 ILE 98 5.772 9.059 -5.825 729 2HG1 ILE 98 2HG1 ILE 98 4.910 10.268 -4.895 730 1HG2 ILE 98 1HG2 ILE 98 2.236 10.431 -7.162 731 2HG2 ILE 98 2HG2 ILE 98 2.941 11.261 -5.754 732 3HG2 ILE 98 3HG2 ILE 98 3.143 11.946 -7.384 733 1HD1 ILE 98 1HD1 ILE 98 2.779 8.924 -5.243 734 2HD1 ILE 98 2HD1 ILE 98 3.779 7.654 -5.987 735 3HD1 ILE 98 3HD1 ILE 98 4.024 8.094 -4.280 736 H ARG 99 H ARG 99 1.832 9.215 -9.074 737 HA ARG 99 HA ARG 99 2.686 10.720 -11.416 738 1HB ARG 99 1HB ARG 99 1.944 8.251 -11.751 739 2HB ARG 99 2HB ARG 99 0.327 8.785 -11.341 740 1HG ARG 99 1HG ARG 99 1.148 10.675 -13.242 741 2HG ARG 99 2HG ARG 99 1.859 9.188 -13.836 742 1HD ARG 99 1HD ARG 99 -0.981 8.980 -12.901 743 2HD ARG 99 2HD ARG 99 -0.727 9.938 -14.346 744 HE ARG 99 HE ARG 99 0.682 7.370 -14.411 745 1HH1 ARG 99 2HH2 ARG 99 -2.365 8.999 -15.076 746 2HH1 ARG 99 1HH2 ARG 99 -2.891 7.819 -16.230 747 1HH2 ARG 99 2HH1 ARG 99 -0.010 5.813 -15.933 748 2HH2 ARG 99 1HH1 ARG 99 -1.542 5.995 -16.721 749 H ASN 100 H ASN 100 1.988 12.815 -10.997 750 HA ASN 100 HA ASN 100 -0.339 13.257 -9.453 751 1HB ASN 100 1HB ASN 100 1.904 14.740 -9.995 752 2HB ASN 100 2HB ASN 100 0.804 15.463 -11.151 753 1HD2 ASN 100 1HD2 ASN 100 1.654 15.054 -7.844 754 2HD2 ASN 100 2HD2 ASN 100 0.497 16.127 -7.130 755 HA PRO 101 HA PRO 101 -3.006 13.242 -12.965 756 1HB PRO 101 1HB PRO 101 -5.328 13.967 -11.720 757 2HB PRO 101 2HB PRO 101 -4.732 12.319 -11.753 758 1HG PRO 101 1HG PRO 101 -4.703 14.256 -9.520 759 2HG PRO 101 2HG PRO 101 -4.516 12.515 -9.465 760 1HD PRO 101 1HD PRO 101 -2.434 14.474 -9.227 761 2HD PRO 101 2HD PRO 101 -2.234 12.734 -9.289 Start of MODEL 7 1 H MET 1 H MET 1 -19.399 0.468 14.054 2 HA MET 1 HA MET 1 -20.303 1.034 16.767 3 1HB MET 1 1HB MET 1 -20.480 -1.458 15.145 4 2HB MET 1 2HB MET 1 -19.732 -1.721 16.708 5 1HG MET 1 1HG MET 1 -21.670 -0.781 17.875 6 2HG MET 1 2HG MET 1 -22.386 -0.248 16.367 7 1HE MET 1 1HE MET 1 -24.764 -1.792 17.057 8 2HE MET 1 2HE MET 1 -24.441 -3.308 17.933 9 3HE MET 1 3HE MET 1 -23.754 -1.775 18.523 10 H GLN 2 H GLN 2 -18.264 2.292 16.891 11 HA GLN 2 HA GLN 2 -16.260 2.466 17.744 12 1HB GLN 2 1HB GLN 2 -16.878 -0.223 18.413 13 2HB GLN 2 2HB GLN 2 -15.262 -0.276 17.736 14 1HG GLN 2 1HG GLN 2 -14.416 1.304 19.343 15 2HG GLN 2 2HG GLN 2 -16.026 1.799 19.827 16 1HE2 GLN 2 1HE2 GLN 2 -17.392 0.260 20.916 17 2HE2 GLN 2 2HE2 GLN 2 -16.705 -0.962 21.933 18 H GLU 3 H GLU 3 -16.217 3.290 15.358 19 HA GLU 3 HA GLU 3 -13.987 1.925 14.096 20 1HB GLU 3 1HB GLU 3 -16.663 2.569 12.880 21 2HB GLU 3 2HB GLU 3 -15.245 2.749 11.865 22 1HG GLU 3 1HG GLU 3 -14.587 0.354 12.696 23 2HG GLU 3 2HG GLU 3 -16.245 0.235 13.253 24 H GLN 4 H GLN 4 -12.549 3.335 12.910 25 HA GLN 4 HA GLN 4 -13.121 6.156 13.388 26 1HB GLN 4 1HB GLN 4 -11.184 4.839 14.714 27 2HB GLN 4 2HB GLN 4 -10.276 5.186 13.256 28 1HG GLN 4 1HG GLN 4 -11.854 7.419 14.549 29 2HG GLN 4 2HG GLN 4 -10.338 6.930 15.278 30 1HE2 GLN 4 1HE2 GLN 4 -11.103 9.413 13.946 31 2HE2 GLN 4 2HE2 GLN 4 -9.982 9.673 12.652 32 H ALA 5 H ALA 5 -12.419 7.655 11.741 33 HA ALA 5 HA ALA 5 -12.717 6.758 9.146 34 1HB ALA 5 1HB ALA 5 -13.105 9.061 9.770 35 2HB ALA 5 2HB ALA 5 -11.415 9.256 10.294 36 3HB ALA 5 3HB ALA 5 -11.791 9.033 8.569 37 H GLN 6 H GLN 6 -11.433 5.105 8.381 38 HA GLN 6 HA GLN 6 -8.584 5.714 8.362 39 1HB GLN 6 1HB GLN 6 -7.993 3.485 8.895 40 2HB GLN 6 2HB GLN 6 -9.306 3.845 9.999 41 1HG GLN 6 1HG GLN 6 -10.692 2.881 7.799 42 2HG GLN 6 2HG GLN 6 -9.220 1.934 7.720 43 1HE2 GLN 6 1HE2 GLN 6 -11.259 0.455 8.126 44 2HE2 GLN 6 2HE2 GLN 6 -11.476 -0.054 9.767 45 H GLN 7 H GLN 7 -10.389 6.500 6.332 46 HA GLN 7 HA GLN 7 -9.657 4.595 4.247 47 1HB GLN 7 1HB GLN 7 -12.058 4.473 4.511 48 2HB GLN 7 2HB GLN 7 -12.212 6.217 4.562 49 1HG GLN 7 1HG GLN 7 -11.259 6.272 2.180 50 2HG GLN 7 2HG GLN 7 -11.387 4.525 2.160 51 1HE2 GLN 7 1HE2 GLN 7 -13.014 4.015 0.905 52 2HE2 GLN 7 2HE2 GLN 7 -14.620 4.661 0.961 53 H PHE 8 H PHE 8 -7.947 5.511 3.178 54 HA PHE 8 HA PHE 8 -7.986 8.409 2.825 55 1HB PHE 8 1HB PHE 8 -5.567 8.040 2.353 56 2HB PHE 8 2HB PHE 8 -5.989 7.216 3.841 57 HD1 PHE 8 1HD PHE 8 -5.748 6.557 0.175 58 HD2 PHE 8 2HD PHE 8 -5.346 5.011 4.106 59 HE1 PHE 8 1HE PHE 8 -4.851 4.408 -0.762 60 HE2 PHE 8 2HE PHE 8 -4.449 2.862 3.170 61 HZ PHE 8 HZ PHE 8 -4.212 2.586 0.747 62 H ILE 9 H ILE 9 -7.989 9.384 0.792 63 HA ILE 9 HA ILE 9 -8.783 7.637 -1.374 64 HB ILE 9 HB ILE 9 -8.791 10.606 -0.917 65 1HG1 ILE 9 1HG1 ILE 9 -10.584 8.898 -0.070 66 2HG1 ILE 9 2HG1 ILE 9 -11.074 10.428 -0.770 67 1HG2 ILE 9 1HG2 ILE 9 -8.202 10.671 -3.140 68 2HG2 ILE 9 2HG2 ILE 9 -8.989 9.119 -3.512 69 3HG2 ILE 9 3HG2 ILE 9 -9.976 10.576 -3.252 70 1HD1 ILE 9 1HD1 ILE 9 -11.609 9.410 -2.890 71 2HD1 ILE 9 2HD1 ILE 9 -10.798 7.892 -2.436 72 3HD1 ILE 9 3HD1 ILE 9 -12.317 8.363 -1.636 73 H PHE 10 H PHE 10 -7.213 6.646 -2.524 74 HA PHE 10 HA PHE 10 -5.192 8.267 -3.729 75 1HB PHE 10 1HB PHE 10 -4.014 7.858 -1.651 76 2HB PHE 10 2HB PHE 10 -4.689 6.249 -1.492 77 HD1 PHE 10 1HD PHE 10 -3.436 4.401 -2.145 78 HD2 PHE 10 2HD PHE 10 -2.376 8.231 -3.633 79 HE1 PHE 10 1HE PHE 10 -1.361 3.429 -3.169 80 HE2 PHE 10 2HE PHE 10 -0.301 7.258 -4.657 81 HZ PHE 10 HZ PHE 10 0.182 4.869 -4.413 82 H LYS 11 H LYS 11 -4.506 7.364 -5.668 83 HA LYS 11 HA LYS 11 -5.628 4.716 -6.240 84 1HB LYS 11 1HB LYS 11 -4.928 7.016 -8.089 85 2HB LYS 11 2HB LYS 11 -5.473 5.440 -8.624 86 1HG LYS 11 1HG LYS 11 -7.101 7.003 -6.593 87 2HG LYS 11 2HG LYS 11 -7.238 7.372 -8.301 88 1HD LYS 11 1HD LYS 11 -7.880 5.035 -8.797 89 2HD LYS 11 2HD LYS 11 -7.629 4.580 -7.123 90 1HE LYS 11 1HE LYS 11 -9.621 5.505 -6.426 91 2HE LYS 11 2HE LYS 11 -9.477 6.887 -7.495 92 1HZ LYS 11 1HZ LYS 11 -10.924 5.865 -8.778 93 2HZ LYS 11 2HZ LYS 11 -9.805 4.730 -9.132 94 3HZ LYS 11 3HZ LYS 11 -10.863 4.481 -7.913 95 H VAL 12 H VAL 12 -4.293 3.021 -6.675 96 HA VAL 12 HA VAL 12 -1.466 3.684 -7.124 97 HB VAL 12 HB VAL 12 -2.314 2.738 -4.800 98 1HG1 VAL 12 1HG1 VAL 12 -1.906 0.206 -6.428 99 2HG1 VAL 12 2HG1 VAL 12 -2.158 0.303 -4.669 100 3HG1 VAL 12 3HG1 VAL 12 -3.460 0.785 -5.783 101 1HG2 VAL 12 1HG2 VAL 12 0.006 1.234 -5.119 102 2HG2 VAL 12 2HG2 VAL 12 0.162 2.523 -6.337 103 3HG2 VAL 12 3HG2 VAL 12 -0.090 2.942 -4.625 104 H THR 13 H THR 13 -0.444 2.554 -8.767 105 HA THR 13 HA THR 13 -2.038 1.416 -10.753 106 HB THR 13 HB THR 13 0.325 0.657 -11.566 107 HG1 THR 13 1HG THR 13 1.791 0.815 -9.919 108 1HG2 THR 13 1HG2 THR 13 0.931 2.851 -12.224 109 2HG2 THR 13 2HG2 THR 13 -0.813 3.037 -11.917 110 3HG2 THR 13 3HG2 THR 13 0.367 3.564 -10.694 111 H ASP 14 H ASP 14 -1.558 -0.863 -11.698 112 HA ASP 14 HA ASP 14 -2.481 -2.650 -9.732 113 1HB ASP 14 1HB ASP 14 -1.634 -2.909 -12.639 114 2HB ASP 14 2HB ASP 14 -2.044 -4.335 -11.707 115 H LYS 15 H LYS 15 0.635 -1.807 -11.235 116 HA LYS 15 HA LYS 15 2.022 -4.164 -10.582 117 1HB LYS 15 1HB LYS 15 2.523 -1.913 -12.077 118 2HB LYS 15 2HB LYS 15 3.580 -1.665 -10.702 119 1HG LYS 15 1HG LYS 15 4.431 -4.051 -11.025 120 2HG LYS 15 2HG LYS 15 3.491 -4.130 -12.502 121 1HD LYS 15 1HD LYS 15 4.747 -1.946 -13.199 122 2HD LYS 15 2HD LYS 15 5.847 -2.306 -11.883 123 1HE LYS 15 1HE LYS 15 6.972 -3.658 -13.322 124 2HE LYS 15 2HE LYS 15 5.618 -4.767 -13.223 125 1HZ LYS 15 1HZ LYS 15 5.596 -2.510 -15.086 126 2HZ LYS 15 2HZ LYS 15 6.272 -3.942 -15.487 127 3HZ LYS 15 3HZ LYS 15 4.681 -3.863 -15.125 128 H ALA 16 H ALA 16 1.280 -1.137 -8.823 129 HA ALA 16 HA ALA 16 3.080 -1.544 -6.715 130 1HB ALA 16 1HB ALA 16 0.399 -0.158 -6.469 131 2HB ALA 16 2HB ALA 16 1.947 0.255 -5.693 132 3HB ALA 16 3HB ALA 16 1.718 0.547 -7.434 133 H VAL 17 H VAL 17 -0.474 -2.264 -7.007 134 HA VAL 17 HA VAL 17 -0.705 -3.500 -4.535 135 HB VAL 17 HB VAL 17 -2.230 -3.264 -7.032 136 1HG1 VAL 17 1HG1 VAL 17 -2.203 -5.702 -6.899 137 2HG1 VAL 17 2HG1 VAL 17 -2.724 -5.635 -5.198 138 3HG1 VAL 17 3HG1 VAL 17 -3.817 -5.076 -6.488 139 1HG2 VAL 17 1HG2 VAL 17 -2.404 -2.130 -4.611 140 2HG2 VAL 17 2HG2 VAL 17 -3.818 -2.355 -5.668 141 3HG2 VAL 17 3HG2 VAL 17 -3.504 -3.503 -4.345 142 H GLU 18 H GLU 18 0.105 -4.837 -7.795 143 HA GLU 18 HA GLU 18 0.185 -7.479 -6.942 144 1HB GLU 18 1HB GLU 18 0.165 -6.415 -9.350 145 2HB GLU 18 2HB GLU 18 1.910 -6.416 -9.194 146 1HG GLU 18 1HG GLU 18 2.055 -8.685 -9.448 147 2HG GLU 18 2HG GLU 18 0.705 -8.986 -8.371 148 H GLU 19 H GLU 19 2.514 -4.804 -6.771 149 HA GLU 19 HA GLU 19 4.787 -6.362 -6.387 150 1HB GLU 19 1HB GLU 19 5.019 -4.038 -6.990 151 2HB GLU 19 2HB GLU 19 4.078 -3.508 -5.610 152 1HG GLU 19 1HG GLU 19 6.351 -3.115 -4.988 153 2HG GLU 19 2HG GLU 19 5.892 -4.563 -4.115 154 H ILE 20 H ILE 20 2.097 -5.465 -4.294 155 HA ILE 20 HA ILE 20 3.490 -5.931 -1.851 156 HB ILE 20 HB ILE 20 0.510 -5.986 -2.217 157 1HG1 ILE 20 1HG1 ILE 20 0.972 -4.081 -3.475 158 2HG1 ILE 20 2HG1 ILE 20 0.678 -3.447 -1.868 159 1HG2 ILE 20 1HG2 ILE 20 2.382 -5.798 0.008 160 2HG2 ILE 20 2HG2 ILE 20 1.192 -4.475 0.006 161 3HG2 ILE 20 3HG2 ILE 20 0.641 -6.168 -0.002 162 1HD1 ILE 20 1HD1 ILE 20 2.663 -2.353 -2.220 163 2HD1 ILE 20 2HD1 ILE 20 3.378 -3.901 -1.709 164 3HD1 ILE 20 3HD1 ILE 20 3.207 -3.529 -3.441 165 H LYS 21 H LYS 21 1.617 -7.857 -4.192 166 HA LYS 21 HA LYS 21 1.342 -10.089 -2.446 167 1HB LYS 21 1HB LYS 21 0.977 -9.749 -5.435 168 2HB LYS 21 2HB LYS 21 0.650 -11.242 -4.579 169 1HG LYS 21 1HG LYS 21 -1.179 -10.339 -3.403 170 2HG LYS 21 2HG LYS 21 -0.586 -8.694 -3.527 171 1HD LYS 21 1HD LYS 21 -1.552 -8.355 -5.586 172 2HD LYS 21 2HD LYS 21 -1.156 -9.965 -6.155 173 1HE LYS 21 1HE LYS 21 -3.148 -10.046 -3.988 174 2HE LYS 21 2HE LYS 21 -3.696 -9.056 -5.325 175 1HZ LYS 21 1HZ LYS 21 -3.596 -11.806 -5.202 176 2HZ LYS 21 2HZ LYS 21 -4.065 -10.883 -6.465 177 3HZ LYS 21 3HZ LYS 21 -2.509 -11.362 -6.338 178 H LYS 22 H LYS 22 3.783 -8.873 -4.718 179 HA LYS 22 HA LYS 22 5.165 -11.331 -4.966 180 1HB LYS 22 1HB LYS 22 5.215 -8.895 -6.242 181 2HB LYS 22 2HB LYS 22 6.708 -8.847 -5.327 182 1HG LYS 22 1HG LYS 22 6.870 -11.398 -6.273 183 2HG LYS 22 2HG LYS 22 5.897 -10.695 -7.549 184 1HD LYS 22 1HD LYS 22 7.755 -9.762 -8.447 185 2HD LYS 22 2HD LYS 22 7.974 -8.805 -6.996 186 1HE LYS 22 1HE LYS 22 9.654 -10.153 -6.206 187 2HE LYS 22 2HE LYS 22 8.820 -11.626 -6.659 188 1HZ LYS 22 1HZ LYS 22 9.517 -11.296 -8.908 189 2HZ LYS 22 2HZ LYS 22 10.213 -9.863 -8.553 190 3HZ LYS 22 3HZ LYS 22 10.831 -11.244 -7.939 191 H VAL 23 H VAL 23 5.650 -8.366 -2.936 192 HA VAL 23 HA VAL 23 7.896 -9.339 -1.599 193 HB VAL 23 HB VAL 23 5.942 -7.151 -1.334 194 1HG1 VAL 23 1HG1 VAL 23 7.481 -8.160 1.079 195 2HG1 VAL 23 2HG1 VAL 23 6.758 -6.539 0.954 196 3HG1 VAL 23 3HG1 VAL 23 5.718 -7.983 0.915 197 1HG2 VAL 23 1HG2 VAL 23 8.582 -6.455 -0.506 198 2HG2 VAL 23 2HG2 VAL 23 8.717 -7.531 -1.918 199 3HG2 VAL 23 3HG2 VAL 23 7.747 -6.042 -2.023 200 H ALA 24 H ALA 24 4.371 -9.706 -1.026 201 HA ALA 24 HA ALA 24 4.750 -10.996 1.492 202 1HB ALA 24 1HB ALA 24 2.721 -9.655 0.687 203 2HB ALA 24 2HB ALA 24 2.299 -11.076 -0.299 204 3HB ALA 24 3HB ALA 24 2.374 -11.213 1.474 205 H GLN 25 H GLN 25 4.590 -11.939 -1.931 206 HA GLN 25 HA GLN 25 3.927 -14.574 -1.637 207 1HB GLN 25 1HB GLN 25 5.006 -12.857 -3.689 208 2HB GLN 25 2HB GLN 25 5.915 -14.355 -3.704 209 1HG GLN 25 1HG GLN 25 2.990 -14.756 -3.399 210 2HG GLN 25 2HG GLN 25 3.430 -13.965 -4.900 211 1HE2 GLN 25 1HE2 GLN 25 4.475 -15.046 -6.480 212 2HE2 GLN 25 2HE2 GLN 25 4.847 -16.738 -6.448 213 H GLU 26 H GLU 26 7.062 -12.900 -1.168 214 HA GLU 26 HA GLU 26 8.458 -15.363 -0.865 215 1HB GLU 26 1HB GLU 26 9.295 -12.949 -1.643 216 2HB GLU 26 2HB GLU 26 9.564 -12.716 0.073 217 1HG GLU 26 1HG GLU 26 10.701 -15.174 -0.194 218 2HG GLU 26 2HG GLU 26 10.936 -14.592 -1.830 219 H ASN 27 H ASN 27 6.343 -13.528 1.080 220 HA ASN 27 HA ASN 27 7.612 -14.567 3.489 221 1HB ASN 27 1HB ASN 27 5.868 -12.140 2.942 222 2HB ASN 27 2HB ASN 27 5.872 -12.835 4.551 223 1HD2 ASN 27 1HD2 ASN 27 7.234 -10.571 2.628 224 2HD2 ASN 27 2HD2 ASN 27 8.763 -10.330 3.405 225 H ASN 28 H ASN 28 5.449 -15.490 1.252 226 HA ASN 28 HA ASN 28 3.547 -16.552 1.154 227 1HB ASN 28 1HB ASN 28 5.214 -17.930 2.861 228 2HB ASN 28 2HB ASN 28 3.820 -17.727 3.903 229 1HD2 ASN 28 1HD2 ASN 28 3.717 -20.054 3.772 230 2HD2 ASN 28 2HD2 ASN 28 2.890 -20.823 2.459 231 H ILE 29 H ILE 29 3.221 -13.893 2.171 232 HA ILE 29 HA ILE 29 1.330 -14.193 4.380 233 HB ILE 29 HB ILE 29 2.995 -11.958 3.307 234 1HG1 ILE 29 1HG1 ILE 29 2.482 -13.217 6.002 235 2HG1 ILE 29 2HG1 ILE 29 3.983 -13.135 5.102 236 1HG2 ILE 29 1HG2 ILE 29 0.665 -11.110 3.311 237 2HG2 ILE 29 2HG2 ILE 29 0.546 -11.523 5.038 238 3HG2 ILE 29 3HG2 ILE 29 1.714 -10.294 4.496 239 1HD1 ILE 29 1HD1 ILE 29 3.641 -10.510 5.297 240 2HD1 ILE 29 2HD1 ILE 29 2.581 -10.957 6.656 241 3HD1 ILE 29 3HD1 ILE 29 4.297 -11.428 6.674 242 H GLU 30 H GLU 30 -0.834 -14.095 4.047 243 HA GLU 30 HA GLU 30 -1.647 -13.469 1.334 244 1HB GLU 30 1HB GLU 30 -2.427 -15.457 3.258 245 2HB GLU 30 2HB GLU 30 -3.826 -14.445 2.958 246 1HG GLU 30 1HG GLU 30 -3.802 -14.899 0.605 247 2HG GLU 30 2HG GLU 30 -2.156 -15.499 0.647 248 H ASN 31 H ASN 31 -1.060 -11.706 3.969 249 HA ASN 31 HA ASN 31 -3.184 -9.883 3.328 250 1HB ASN 31 1HB ASN 31 -3.734 -11.457 5.432 251 2HB ASN 31 2HB ASN 31 -2.642 -10.374 6.273 252 1HD2 ASN 31 1HD2 ASN 31 -5.602 -10.868 6.361 253 2HD2 ASN 31 2HD2 ASN 31 -6.347 -9.311 6.219 254 HA PRO 32 HA PRO 32 0.987 -8.165 4.250 255 1HB PRO 32 1HB PRO 32 1.537 -7.081 1.803 256 2HB PRO 32 2HB PRO 32 2.094 -8.668 2.295 257 1HG PRO 32 1HG PRO 32 -0.093 -7.966 0.433 258 2HG PRO 32 2HG PRO 32 0.749 -9.493 0.612 259 1HD PRO 32 1HD PRO 32 -1.876 -8.856 1.579 260 2HD PRO 32 2HD PRO 32 -0.988 -10.341 1.857 261 H ILE 33 H ILE 33 0.936 -6.424 5.508 262 HA ILE 33 HA ILE 33 -0.909 -4.339 4.607 263 HB ILE 33 HB ILE 33 0.235 -5.066 7.296 264 1HG1 ILE 33 1HG1 ILE 33 -2.671 -4.680 6.830 265 2HG1 ILE 33 2HG1 ILE 33 -1.947 -6.061 6.032 266 1HG2 ILE 33 1HG2 ILE 33 0.189 -2.906 7.840 267 2HG2 ILE 33 2HG2 ILE 33 -0.643 -2.456 6.333 268 3HG2 ILE 33 3HG2 ILE 33 -1.583 -3.025 7.733 269 1HD1 ILE 33 1HD1 ILE 33 -0.809 -6.448 8.421 270 2HD1 ILE 33 2HD1 ILE 33 -2.196 -5.481 8.979 271 3HD1 ILE 33 3HD1 ILE 33 -2.469 -7.004 8.098 272 H LEU 34 H LEU 34 0.255 -3.148 3.111 273 HA LEU 34 HA LEU 34 2.932 -2.303 3.897 274 1HB LEU 34 1HB LEU 34 1.401 -2.299 1.308 275 2HB LEU 34 2HB LEU 34 2.863 -1.355 1.510 276 HG LEU 34 HG LEU 34 3.108 -3.628 0.416 277 1HD1 LEU 34 1HD1 LEU 34 5.150 -4.195 1.986 278 2HD1 LEU 34 2HD1 LEU 34 5.138 -2.729 0.976 279 3HD1 LEU 34 3HD1 LEU 34 4.743 -2.619 2.708 280 1HD2 LEU 34 1HD2 LEU 34 3.187 -5.602 1.809 281 2HD2 LEU 34 2HD2 LEU 34 2.767 -4.645 3.250 282 3HD2 LEU 34 3HD2 LEU 34 1.582 -4.843 1.936 283 H ARG 35 H ARG 35 3.488 -0.159 4.300 284 HA ARG 35 HA ARG 35 1.199 1.640 4.369 285 1HB ARG 35 1HB ARG 35 2.012 0.964 6.652 286 2HB ARG 35 2HB ARG 35 3.605 1.581 6.261 287 1HG ARG 35 1HG ARG 35 1.418 3.534 5.777 288 2HG ARG 35 2HG ARG 35 1.570 3.050 7.454 289 1HD ARG 35 1HD ARG 35 3.971 3.947 5.798 290 2HD ARG 35 2HD ARG 35 2.990 5.077 6.709 291 HE ARG 35 HE ARG 35 3.723 4.049 8.767 292 1HH1 ARG 35 2HH2 ARG 35 5.201 2.625 5.908 293 2HH1 ARG 35 1HH2 ARG 35 6.478 1.860 6.793 294 1HH2 ARG 35 2HH1 ARG 35 5.408 3.041 9.935 295 2HH2 ARG 35 1HH1 ARG 35 6.597 2.098 9.099 296 H ILE 36 H ILE 36 1.571 3.831 3.677 297 HA ILE 36 HA ILE 36 3.943 4.107 2.031 298 HB ILE 36 HB ILE 36 1.337 5.589 2.262 299 1HG1 ILE 36 1HG1 ILE 36 1.171 3.580 0.985 300 2HG1 ILE 36 2HG1 ILE 36 1.167 4.925 -0.138 301 1HG2 ILE 36 1HG2 ILE 36 3.636 6.380 0.458 302 2HG2 ILE 36 2HG2 ILE 36 2.060 7.188 0.641 303 3HG2 ILE 36 3HG2 ILE 36 3.230 7.205 1.983 304 1HD1 ILE 36 1HD1 ILE 36 3.167 2.766 0.212 305 2HD1 ILE 36 2HD1 ILE 36 2.802 3.757 -1.221 306 3HD1 ILE 36 3HD1 ILE 36 3.876 4.391 0.049 307 H ARG 37 H ARG 37 5.593 5.579 2.379 308 HA ARG 37 HA ARG 37 5.250 7.366 4.621 309 1HB ARG 37 1HB ARG 37 7.450 6.717 5.583 310 2HB ARG 37 2HB ARG 37 6.359 5.346 5.556 311 1HG ARG 37 1HG ARG 37 7.424 4.468 3.518 312 2HG ARG 37 2HG ARG 37 8.422 5.901 3.374 313 1HD ARG 37 1HD ARG 37 9.793 5.305 5.199 314 2HD ARG 37 2HD ARG 37 8.554 4.316 5.946 315 HE ARG 37 HE ARG 37 9.100 3.054 3.503 316 1HH1 ARG 37 2HH2 ARG 37 10.952 3.948 6.358 317 2HH1 ARG 37 1HH2 ARG 37 12.084 2.647 6.188 318 1HH2 ARG 37 2HH1 ARG 37 10.592 1.338 3.278 319 2HH2 ARG 37 1HH1 ARG 37 11.877 1.153 4.424 320 H VAL 38 H VAL 38 7.213 8.973 4.708 321 HA VAL 38 HA VAL 38 8.047 9.502 1.940 322 HB VAL 38 HB VAL 38 7.875 11.554 4.128 323 1HG1 VAL 38 1HG1 VAL 38 9.005 12.429 2.279 324 2HG1 VAL 38 2HG1 VAL 38 7.965 11.575 1.113 325 3HG1 VAL 38 3HG1 VAL 38 7.327 12.967 2.022 326 1HG2 VAL 38 1HG2 VAL 38 5.667 11.058 4.281 327 2HG2 VAL 38 2HG2 VAL 38 5.574 12.000 2.773 328 3HG2 VAL 38 3HG2 VAL 38 5.633 10.222 2.710 329 H VAL 39 H VAL 39 10.115 8.846 1.640 330 HA VAL 39 HA VAL 39 11.936 9.090 3.920 331 HB VAL 39 HB VAL 39 13.341 7.524 2.678 332 1HG1 VAL 39 1HG1 VAL 39 10.455 6.646 3.019 333 2HG1 VAL 39 2HG1 VAL 39 11.834 5.540 2.810 334 3HG1 VAL 39 3HG1 VAL 39 11.747 6.595 4.242 335 1HG2 VAL 39 1HG2 VAL 39 11.101 7.419 0.631 336 2HG2 VAL 39 2HG2 VAL 39 12.665 8.235 0.394 337 3HG2 VAL 39 3HG2 VAL 39 12.607 6.470 0.620 338 HA PRO 40 HA PRO 40 13.775 12.451 1.882 339 1HB PRO 40 1HB PRO 40 15.941 12.792 3.513 340 2HB PRO 40 2HB PRO 40 14.352 13.432 3.883 341 1HG PRO 40 1HG PRO 40 15.732 11.098 5.062 342 2HG PRO 40 2HG PRO 40 14.365 11.998 5.690 343 1HD PRO 40 1HD PRO 40 14.289 9.430 4.416 344 2HD PRO 40 2HD PRO 40 12.914 10.381 4.939 345 H GLY 41 H GLY 41 14.089 11.237 -0.082 346 1HA GLY 41 1HA GLY 41 16.392 11.419 -1.298 347 2HA GLY 41 2HA GLY 41 16.762 10.046 -0.273 348 H GLY 42 H GLY 42 16.821 9.761 -3.057 349 1HA GLY 42 1HA GLY 42 15.284 7.507 -3.502 350 2HA GLY 42 2HA GLY 42 14.350 8.849 -4.132 351 H CYS 43 H CYS 43 15.718 6.596 -5.575 352 HA CYS 43 HA CYS 43 18.003 7.698 -6.835 353 1HB CYS 43 1HB CYS 43 16.271 5.282 -7.372 354 2HB CYS 43 2HB CYS 43 17.546 5.751 -8.479 355 HG CYS 43 HG CYS 43 17.672 4.054 -5.921 356 H SER 44 H SER 44 14.483 7.360 -7.578 357 HA SER 44 HA SER 44 14.729 8.465 -10.149 358 1HB SER 44 1HB SER 44 12.544 7.590 -8.333 359 2HB SER 44 2HB SER 44 12.087 8.872 -9.437 360 HG SER 44 HG SER 44 11.843 7.299 -10.867 361 H GLY 45 H GLY 45 13.783 9.735 -6.896 362 1HA GLY 45 1HA GLY 45 14.845 12.157 -6.902 363 2HA GLY 45 2HA GLY 45 13.483 12.431 -7.969 364 H PHE 46 H PHE 46 14.098 10.638 -4.857 365 HA PHE 46 HA PHE 46 13.001 10.598 -2.947 366 1HB PHE 46 1HB PHE 46 11.733 13.246 -3.846 367 2HB PHE 46 2HB PHE 46 12.038 12.744 -2.195 368 HD1 PHE 46 1HD PHE 46 13.496 14.173 -5.211 369 HD2 PHE 46 2HD PHE 46 14.310 12.819 -1.272 370 HE1 PHE 46 1HE PHE 46 15.707 15.360 -5.260 371 HE2 PHE 46 2HE PHE 46 16.521 14.006 -1.321 372 HZ PHE 46 HZ PHE 46 17.193 15.262 -3.314 373 H GLN 47 H GLN 47 11.560 8.894 -3.136 374 HA GLN 47 HA GLN 47 8.866 9.696 -3.862 375 1HB GLN 47 1HB GLN 47 10.444 7.372 -5.002 376 2HB GLN 47 2HB GLN 47 8.695 7.292 -4.913 377 1HG GLN 47 1HG GLN 47 8.920 8.255 -7.015 378 2HG GLN 47 2HG GLN 47 8.837 9.711 -6.045 379 1HE2 GLN 47 1HE2 GLN 47 9.924 10.327 -8.188 380 2HE2 GLN 47 2HE2 GLN 47 11.656 10.368 -8.195 381 H TYR 48 H TYR 48 7.196 8.066 -3.031 382 HA TYR 48 HA TYR 48 7.930 7.357 -0.341 383 1HB TYR 48 1HB TYR 48 5.387 6.850 -2.003 384 2HB TYR 48 2HB TYR 48 5.473 6.895 -0.253 385 HD1 TYR 48 1HD TYR 48 5.372 8.907 -3.320 386 HD2 TYR 48 2HD TYR 48 5.644 9.032 0.948 387 HE1 TYR 48 1HE TYR 48 4.807 11.386 -3.349 388 HE2 TYR 48 2HE TYR 48 5.078 11.510 0.905 389 HH TYR 48 HH TYR 48 3.724 13.016 -0.824 390 H ALA 49 H ALA 49 8.545 5.376 0.383 391 HA ALA 49 HA ALA 49 8.296 3.161 -1.523 392 1HB ALA 49 1HB ALA 49 10.555 4.051 -0.501 393 2HB ALA 49 2HB ALA 49 10.042 3.136 0.936 394 3HB ALA 49 3HB ALA 49 10.266 2.298 -0.618 395 H MET 50 H MET 50 7.789 0.993 -0.578 396 HA MET 50 HA MET 50 5.798 1.362 1.503 397 1HB MET 50 1HB MET 50 4.785 -0.672 0.615 398 2HB MET 50 2HB MET 50 5.230 0.303 -0.771 399 1HG MET 50 1HG MET 50 7.373 -1.010 -0.980 400 2HG MET 50 2HG MET 50 6.873 -2.010 0.370 401 1HE MET 50 1HE MET 50 5.691 -0.332 -2.680 402 2HE MET 50 2HE MET 50 5.153 -1.627 -3.777 403 3HE MET 50 3HE MET 50 4.017 -0.930 -2.598 404 H GLY 51 H GLY 51 5.491 -0.841 2.863 405 1HA GLY 51 1HA GLY 51 7.750 -2.435 3.391 406 2HA GLY 51 2HA GLY 51 7.737 -1.087 4.511 407 H PHE 52 H PHE 52 6.608 -4.238 3.958 408 HA PHE 52 HA PHE 52 4.059 -4.078 5.149 409 1HB PHE 52 1HB PHE 52 4.373 -6.566 5.228 410 2HB PHE 52 2HB PHE 52 4.926 -5.940 3.687 411 HD1 PHE 52 1HD PHE 52 7.290 -5.921 3.126 412 HD2 PHE 52 2HD PHE 52 5.961 -7.415 6.869 413 HE1 PHE 52 1HE PHE 52 9.528 -6.998 3.491 414 HE2 PHE 52 2HE PHE 52 8.199 -8.492 7.234 415 HZ PHE 52 HZ PHE 52 9.955 -8.271 5.540 416 H ASP 53 H ASP 53 3.525 -3.749 7.252 417 HA ASP 53 HA ASP 53 5.650 -3.896 9.180 418 1HB ASP 53 1HB ASP 53 3.456 -2.221 8.835 419 2HB ASP 53 2HB ASP 53 2.893 -3.283 10.110 420 H ASP 54 H ASP 54 4.706 -4.766 11.508 421 HA ASP 54 HA ASP 54 4.043 -7.480 10.994 422 1HB ASP 54 1HB ASP 54 5.084 -5.861 13.203 423 2HB ASP 54 2HB ASP 54 3.839 -6.949 13.781 424 H THR 55 H THR 55 2.379 -4.492 11.657 425 HA THR 55 HA THR 55 -0.167 -5.679 11.521 426 HB THR 55 HB THR 55 0.935 -6.034 14.026 427 HG1 THR 55 1HG THR 55 -1.067 -6.960 13.614 428 1HG2 THR 55 1HG2 THR 55 0.663 -3.348 14.143 429 2HG2 THR 55 2HG2 THR 55 -1.035 -3.786 14.453 430 3HG2 THR 55 3HG2 THR 55 0.249 -4.377 15.535 431 H VAL 56 H VAL 56 -1.893 -3.899 12.292 432 HA VAL 56 HA VAL 56 -0.963 -1.478 10.961 433 HB VAL 56 HB VAL 56 -3.060 -2.915 10.377 434 1HG1 VAL 56 1HG1 VAL 56 -5.123 -1.978 11.493 435 2HG1 VAL 56 2HG1 VAL 56 -4.121 -3.034 12.517 436 3HG1 VAL 56 3HG1 VAL 56 -4.050 -1.267 12.722 437 1HG2 VAL 56 1HG2 VAL 56 -4.135 -0.275 10.303 438 2HG2 VAL 56 2HG2 VAL 56 -2.373 -0.151 10.086 439 3HG2 VAL 56 3HG2 VAL 56 -3.333 -1.184 9.000 440 H GLU 57 H GLU 57 -1.509 0.651 11.868 441 HA GLU 57 HA GLU 57 -0.946 0.672 14.638 442 1HB GLU 57 1HB GLU 57 -1.790 3.057 12.950 443 2HB GLU 57 2HB GLU 57 -0.800 3.066 14.395 444 1HG GLU 57 1HG GLU 57 0.585 1.314 12.702 445 2HG GLU 57 2HG GLU 57 -0.024 2.528 11.594 446 H GLU 58 H GLU 58 -2.315 2.299 16.092 447 HA GLU 58 HA GLU 58 -4.969 1.227 16.030 448 1HB GLU 58 1HB GLU 58 -3.476 1.500 18.119 449 2HB GLU 58 2HB GLU 58 -3.833 3.213 18.035 450 1HG GLU 58 1HG GLU 58 -6.288 2.696 18.141 451 2HG GLU 58 2HG GLU 58 -5.916 0.987 18.254 452 H GLY 59 H GLY 59 -3.993 3.222 13.950 453 1HA GLY 59 1HA GLY 59 -6.326 4.712 13.659 454 2HA GLY 59 2HA GLY 59 -5.159 5.746 14.460 455 H ASP 60 H ASP 60 -5.171 3.299 11.759 456 HA ASP 60 HA ASP 60 -3.695 5.286 10.220 457 1HB ASP 60 1HB ASP 60 -2.734 2.796 11.068 458 2HB ASP 60 2HB ASP 60 -3.282 2.459 9.438 459 H HIS 61 H HIS 61 -4.530 5.611 8.106 460 HA HIS 61 HA HIS 61 -7.091 4.625 7.559 461 1HB HIS 61 1HB HIS 61 -5.068 6.031 5.794 462 2HB HIS 61 2HB HIS 61 -6.731 5.720 5.334 463 HD1 HIS 61 1HD HIS 61 -8.619 6.939 6.854 464 HD2 HIS 61 2HD HIS 61 -4.679 8.299 7.329 465 HE1 HIS 61 1HE HIS 61 -8.780 9.206 8.015 466 H VAL 62 H VAL 62 -7.185 2.364 7.525 467 HA VAL 62 HA VAL 62 -5.310 0.912 5.895 468 HB VAL 62 HB VAL 62 -6.655 0.349 8.163 469 1HG1 VAL 62 1HG1 VAL 62 -8.796 0.277 6.723 470 2HG1 VAL 62 2HG1 VAL 62 -8.170 -1.275 6.116 471 3HG1 VAL 62 3HG1 VAL 62 -8.501 -1.066 7.853 472 1HG2 VAL 62 1HG2 VAL 62 -4.941 -1.096 7.832 473 2HG2 VAL 62 2HG2 VAL 62 -6.239 -2.175 7.267 474 3HG2 VAL 62 3HG2 VAL 62 -5.268 -1.257 6.090 475 H PHE 63 H PHE 63 -5.633 0.130 3.839 476 HA PHE 63 HA PHE 63 -8.246 0.770 2.662 477 1HB PHE 63 1HB PHE 63 -5.555 1.545 2.031 478 2HB PHE 63 2HB PHE 63 -5.967 0.339 0.827 479 HD1 PHE 63 1HD PHE 63 -8.323 2.744 2.375 480 HD2 PHE 63 2HD PHE 63 -6.105 1.701 -1.089 481 HE1 PHE 63 1HE PHE 63 -9.564 4.483 1.057 482 HE2 PHE 63 2HE PHE 63 -7.345 3.440 -2.407 483 HZ PHE 63 HZ PHE 63 -9.060 4.810 -1.318 484 H GLU 64 H GLU 64 -9.362 -0.855 1.626 485 HA GLU 64 HA GLU 64 -8.172 -3.469 1.835 486 1HB GLU 64 1HB GLU 64 -10.988 -2.658 0.986 487 2HB GLU 64 2HB GLU 64 -10.454 -4.291 1.330 488 1HG GLU 64 1HG GLU 64 -9.984 -3.700 3.675 489 2HG GLU 64 2HG GLU 64 -10.339 -2.013 3.361 490 H TYR 65 H TYR 65 -7.223 -4.507 0.132 491 HA TYR 65 HA TYR 65 -7.833 -3.457 -2.549 492 1HB TYR 65 1HB TYR 65 -5.384 -4.324 -1.001 493 2HB TYR 65 2HB TYR 65 -5.412 -4.822 -2.681 494 HD1 TYR 65 1HD TYR 65 -4.599 -2.194 -0.430 495 HD2 TYR 65 2HD TYR 65 -5.866 -2.941 -4.447 496 HE1 TYR 65 1HE TYR 65 -3.751 0.098 -1.131 497 HE2 TYR 65 2HE TYR 65 -5.013 -0.646 -5.135 498 HH TYR 65 HH TYR 65 -3.141 1.314 -2.936 499 H ASP 66 H ASP 66 -6.575 -5.471 -4.048 500 HA ASP 66 HA ASP 66 -8.598 -7.369 -4.082 501 1HB ASP 66 1HB ASP 66 -6.973 -6.607 -5.962 502 2HB ASP 66 2HB ASP 66 -5.814 -7.723 -5.269 503 H GLY 67 H GLY 67 -8.393 -7.996 -1.674 504 1HA GLY 67 1HA GLY 67 -7.945 -9.641 -0.193 505 2HA GLY 67 2HA GLY 67 -7.015 -10.478 -1.420 506 H VAL 68 H VAL 68 -6.220 -7.103 -0.765 507 HA VAL 68 HA VAL 68 -3.993 -7.969 0.934 508 HB VAL 68 HB VAL 68 -3.881 -6.212 -1.522 509 1HG1 VAL 68 1HG1 VAL 68 -1.865 -6.627 0.696 510 2HG1 VAL 68 2HG1 VAL 68 -1.392 -6.098 -0.936 511 3HG1 VAL 68 3HG1 VAL 68 -2.498 -5.099 0.038 512 1HG2 VAL 68 1HG2 VAL 68 -1.859 -8.198 -1.505 513 2HG2 VAL 68 2HG2 VAL 68 -3.378 -9.007 -1.053 514 3HG2 VAL 68 3HG2 VAL 68 -3.279 -8.084 -2.572 515 H LYS 69 H LYS 69 -3.127 -6.224 2.304 516 HA LYS 69 HA LYS 69 -5.159 -4.146 2.732 517 1HB LYS 69 1HB LYS 69 -4.504 -6.141 4.472 518 2HB LYS 69 2HB LYS 69 -3.387 -4.891 4.983 519 1HG LYS 69 1HG LYS 69 -5.272 -3.270 5.185 520 2HG LYS 69 2HG LYS 69 -6.398 -4.496 4.637 521 1HD LYS 69 1HD LYS 69 -5.025 -5.759 6.745 522 2HD LYS 69 2HD LYS 69 -5.211 -4.110 7.308 523 1HE LYS 69 1HE LYS 69 -7.703 -4.316 6.580 524 2HE LYS 69 2HE LYS 69 -7.406 -6.038 6.443 525 1HZ LYS 69 1HZ LYS 69 -8.214 -5.112 8.648 526 2HZ LYS 69 2HZ LYS 69 -7.000 -6.203 8.686 527 3HZ LYS 69 3HZ LYS 69 -6.677 -4.615 8.886 528 H VAL 70 H VAL 70 -4.455 -2.008 3.113 529 HA VAL 70 HA VAL 70 -1.593 -1.531 3.022 530 HB VAL 70 HB VAL 70 -3.560 -0.643 0.918 531 1HG1 VAL 70 1HG1 VAL 70 -1.850 0.890 0.057 532 2HG1 VAL 70 2HG1 VAL 70 -2.349 1.348 1.704 533 3HG1 VAL 70 3HG1 VAL 70 -0.800 0.511 1.443 534 1HG2 VAL 70 1HG2 VAL 70 -2.351 -2.787 0.581 535 2HG2 VAL 70 2HG2 VAL 70 -1.938 -1.558 -0.638 536 3HG2 VAL 70 3HG2 VAL 70 -0.808 -1.907 0.692 537 H VAL 71 H VAL 71 -1.053 0.702 3.666 538 HA VAL 71 HA VAL 71 -3.271 2.213 4.782 539 HB VAL 71 HB VAL 71 -2.575 2.169 6.968 540 1HG1 VAL 71 1HG1 VAL 71 -3.453 -0.042 6.280 541 2HG1 VAL 71 2HG1 VAL 71 -1.787 -0.598 5.992 542 3HG1 VAL 71 3HG1 VAL 71 -2.307 -0.158 7.637 543 1HG2 VAL 71 1HG2 VAL 71 0.131 1.194 5.999 544 2HG2 VAL 71 2HG2 VAL 71 -0.265 2.785 6.692 545 3HG2 VAL 71 3HG2 VAL 71 -0.331 1.328 7.712 546 H ILE 72 H ILE 72 -2.449 4.415 5.575 547 HA ILE 72 HA ILE 72 0.076 5.185 4.379 548 HB ILE 72 HB ILE 72 -2.559 6.387 3.523 549 1HG1 ILE 72 1HG1 ILE 72 -0.483 4.829 1.953 550 2HG1 ILE 72 2HG1 ILE 72 -2.056 4.233 2.445 551 1HG2 ILE 72 1HG2 ILE 72 -1.135 7.799 2.036 552 2HG2 ILE 72 2HG2 ILE 72 -0.967 8.159 3.771 553 3HG2 ILE 72 3HG2 ILE 72 0.291 7.220 2.931 554 1HD1 ILE 72 1HD1 ILE 72 -1.476 6.532 0.529 555 2HD1 ILE 72 2HD1 ILE 72 -2.269 4.982 0.158 556 3HD1 ILE 72 3HD1 ILE 72 -3.101 6.187 1.171 557 H ASP 73 H ASP 73 1.120 6.286 5.941 558 HA ASP 73 HA ASP 73 0.233 6.920 8.324 559 1HB ASP 73 1HB ASP 73 2.285 8.098 6.512 560 2HB ASP 73 2HB ASP 73 1.817 9.143 7.839 561 HA PRO 74 HA PRO 74 -2.540 10.294 7.926 562 1HB PRO 74 1HB PRO 74 -2.303 11.543 10.345 563 2HB PRO 74 2HB PRO 74 -3.255 10.091 10.105 564 1HG PRO 74 1HG PRO 74 -0.612 10.383 11.397 565 2HG PRO 74 2HG PRO 74 -1.753 9.058 11.519 566 1HD PRO 74 1HD PRO 74 0.659 9.108 9.968 567 2HD PRO 74 2HD PRO 74 -0.540 7.831 10.000 568 H PHE 75 H PHE 75 0.766 10.924 8.529 569 HA PHE 75 HA PHE 75 0.431 13.739 7.967 570 1HB PHE 75 1HB PHE 75 2.339 11.899 9.192 571 2HB PHE 75 2HB PHE 75 3.172 12.754 7.910 572 HD1 PHE 75 1HD PHE 75 0.965 13.410 10.844 573 HD2 PHE 75 2HD PHE 75 4.097 14.830 8.358 574 HE1 PHE 75 1HE PHE 75 1.274 15.385 12.362 575 HE2 PHE 75 2HE PHE 75 4.406 16.805 9.876 576 HZ PHE 75 HZ PHE 75 2.991 17.058 11.860 577 H SER 76 H SER 76 1.285 10.720 6.322 578 HA SER 76 HA SER 76 2.411 12.162 4.107 579 1HB SER 76 1HB SER 76 1.905 9.190 4.572 580 2HB SER 76 2HB SER 76 2.668 9.835 3.132 581 HG SER 76 HG SER 76 4.372 9.317 4.464 582 H MET 77 H MET 77 -0.667 11.001 5.226 583 HA MET 77 HA MET 77 -1.885 10.294 2.873 584 1HB MET 77 1HB MET 77 -2.591 10.684 5.575 585 2HB MET 77 2HB MET 77 -3.583 11.864 4.742 586 1HG MET 77 1HG MET 77 -3.448 9.038 3.658 587 2HG MET 77 2HG MET 77 -4.446 9.362 5.061 588 1HE MET 77 1HE MET 77 -3.920 9.216 1.627 589 2HE MET 77 2HE MET 77 -5.403 9.813 0.844 590 3HE MET 77 3HE MET 77 -4.039 10.921 1.128 591 HA PRO 78 HA PRO 78 -2.987 14.884 2.368 592 1HB PRO 78 1HB PRO 78 -1.763 16.761 3.933 593 2HB PRO 78 2HB PRO 78 -3.342 16.093 4.295 594 1HG PRO 78 1HG PRO 78 -0.745 15.517 5.586 595 2HG PRO 78 2HG PRO 78 -2.362 15.204 6.185 596 1HD PRO 78 1HD PRO 78 -0.544 13.287 5.069 597 2HD PRO 78 2HD PRO 78 -2.201 12.997 5.561 598 H TYR 79 H TYR 79 -0.111 13.414 2.357 599 HA TYR 79 HA TYR 79 1.214 15.572 0.897 600 1HB TYR 79 1HB TYR 79 1.947 13.571 2.771 601 2HB TYR 79 2HB TYR 79 2.484 12.887 1.250 602 HD1 TYR 79 1HD TYR 79 3.276 15.449 -0.167 603 HD2 TYR 79 2HD TYR 79 4.006 14.070 3.817 604 HE1 TYR 79 1HE TYR 79 5.383 16.866 -0.054 605 HE2 TYR 79 2HE TYR 79 6.111 15.492 3.916 606 HH TYR 79 HH TYR 79 7.676 16.490 2.462 607 H VAL 80 H VAL 80 -0.434 12.474 0.477 608 HA VAL 80 HA VAL 80 0.009 12.740 -2.394 609 HB VAL 80 HB VAL 80 0.401 10.317 -2.572 610 1HG1 VAL 80 1HG1 VAL 80 2.500 11.448 -0.720 611 2HG1 VAL 80 2HG1 VAL 80 2.704 10.414 -2.155 612 3HG1 VAL 80 3HG1 VAL 80 2.242 12.122 -2.348 613 1HG2 VAL 80 1HG2 VAL 80 -0.179 9.035 -0.830 614 2HG2 VAL 80 2HG2 VAL 80 1.346 9.553 -0.072 615 3HG2 VAL 80 3HG2 VAL 80 -0.168 10.416 0.293 616 H ASN 81 H ASN 81 -2.214 13.585 -0.812 617 HA ASN 81 HA ASN 81 -4.137 11.508 -0.821 618 1HB ASN 81 1HB ASN 81 -5.629 13.152 0.075 619 2HB ASN 81 2HB ASN 81 -4.059 13.632 0.689 620 1HD2 ASN 81 1HD2 ASN 81 -2.883 15.302 -0.400 621 2HD2 ASN 81 2HD2 ASN 81 -3.711 16.560 -1.257 622 H GLY 82 H GLY 82 -5.300 10.865 -2.643 623 1HA GLY 82 1HA GLY 82 -6.586 11.150 -4.519 624 2HA GLY 82 2HA GLY 82 -6.110 12.833 -4.615 625 H ALA 83 H ALA 83 -3.181 12.264 -4.354 626 HA ALA 83 HA ALA 83 -2.562 12.064 -7.051 627 1HB ALA 83 1HB ALA 83 -1.259 12.902 -4.872 628 2HB ALA 83 2HB ALA 83 -0.559 11.268 -4.964 629 3HB ALA 83 3HB ALA 83 -0.391 12.388 -6.338 630 H GLU 84 H GLU 84 -0.753 10.292 -7.736 631 HA GLU 84 HA GLU 84 -1.749 7.698 -6.885 632 1HB GLU 84 1HB GLU 84 -2.931 8.035 -8.938 633 2HB GLU 84 2HB GLU 84 -1.536 8.741 -9.729 634 1HG GLU 84 1HG GLU 84 -0.352 6.494 -9.485 635 2HG GLU 84 2HG GLU 84 -1.855 5.825 -8.882 636 H LEU 85 H LEU 85 -0.134 6.179 -6.553 637 HA LEU 85 HA LEU 85 2.565 7.045 -7.320 638 1HB LEU 85 1HB LEU 85 3.073 6.816 -5.194 639 2HB LEU 85 2HB LEU 85 1.449 6.274 -4.822 640 HG LEU 85 HG LEU 85 2.151 3.940 -5.431 641 1HD1 LEU 85 1HD1 LEU 85 4.770 3.697 -5.220 642 2HD1 LEU 85 2HD1 LEU 85 3.991 4.013 -6.790 643 3HD1 LEU 85 3HD1 LEU 85 4.749 5.347 -5.888 644 1HD2 LEU 85 1HD2 LEU 85 3.972 4.140 -3.320 645 2HD2 LEU 85 2HD2 LEU 85 2.844 5.497 -3.087 646 3HD2 LEU 85 3HD2 LEU 85 2.221 3.834 -3.213 647 H ASP 86 H ASP 86 3.345 5.980 -9.053 648 HA ASP 86 HA ASP 86 2.226 3.375 -9.603 649 1HB ASP 86 1HB ASP 86 4.249 4.310 -11.500 650 2HB ASP 86 2HB ASP 86 2.570 3.902 -11.791 651 H TYR 87 H TYR 87 3.364 1.832 -8.356 652 HA TYR 87 HA TYR 87 6.211 2.138 -7.970 653 1HB TYR 87 1HB TYR 87 4.169 1.206 -6.445 654 2HB TYR 87 2HB TYR 87 4.469 -0.286 -7.313 655 HD1 TYR 87 1HD TYR 87 6.660 -1.461 -7.067 656 HD2 TYR 87 2HD TYR 87 5.666 1.976 -4.721 657 HE1 TYR 87 1HE TYR 87 8.519 -2.032 -5.430 658 HE2 TYR 87 2HE TYR 87 7.528 1.393 -3.092 659 HH TYR 87 HH TYR 87 9.405 -1.583 -3.488 660 H VAL 88 H VAL 88 7.744 1.299 -9.288 661 HA VAL 88 HA VAL 88 6.864 -0.680 -11.250 662 HB VAL 88 HB VAL 88 9.183 1.238 -11.076 663 1HG1 VAL 88 1HG1 VAL 88 8.906 -1.255 -12.692 664 2HG1 VAL 88 2HG1 VAL 88 9.549 0.187 -13.513 665 3HG1 VAL 88 3HG1 VAL 88 10.363 -0.449 -12.064 666 1HG2 VAL 88 1HG2 VAL 88 7.304 0.961 -13.403 667 2HG2 VAL 88 2HG2 VAL 88 6.758 1.803 -11.933 668 3HG2 VAL 88 3HG2 VAL 88 8.188 2.389 -12.815 669 H VAL 89 H VAL 89 8.008 -2.664 -11.548 670 HA VAL 89 HA VAL 89 9.837 -3.324 -9.350 671 HB VAL 89 HB VAL 89 7.737 -5.181 -10.467 672 1HG1 VAL 89 1HG1 VAL 89 10.028 -5.646 -8.924 673 2HG1 VAL 89 2HG1 VAL 89 8.679 -5.690 -7.764 674 3HG1 VAL 89 3HG1 VAL 89 8.665 -6.760 -9.186 675 1HG2 VAL 89 1HG2 VAL 89 7.606 -3.353 -8.055 676 2HG2 VAL 89 2HG2 VAL 89 6.479 -3.448 -9.429 677 3HG2 VAL 89 3HG2 VAL 89 6.562 -4.781 -8.252 678 H ASP 90 H ASP 90 11.801 -3.651 -10.254 679 HA ASP 90 HA ASP 90 12.031 -5.570 -12.310 680 1HB ASP 90 1HB ASP 90 11.539 -3.074 -13.300 681 2HB ASP 90 2HB ASP 90 13.276 -2.957 -13.108 682 H PHE 91 H PHE 91 14.679 -4.307 -13.196 683 HA PHE 91 HA PHE 91 16.341 -5.438 -11.306 684 1HB PHE 91 1HB PHE 91 16.530 -4.424 -13.845 685 2HB PHE 91 2HB PHE 91 17.203 -3.056 -12.980 686 HD1 PHE 91 1HD PHE 91 19.362 -3.206 -11.902 687 HD2 PHE 91 2HD PHE 91 17.700 -6.575 -13.877 688 HE1 PHE 91 1HE PHE 91 21.597 -4.346 -11.840 689 HE2 PHE 91 2HE PHE 91 19.936 -7.714 -13.814 690 HZ PHE 91 HZ PHE 91 21.858 -6.586 -12.796 691 H MET 92 H MET 92 14.598 -2.460 -11.163 692 HA MET 92 HA MET 92 16.523 -1.095 -9.573 693 1HB MET 92 1HB MET 92 13.906 -0.588 -10.836 694 2HB MET 92 2HB MET 92 13.941 0.065 -9.210 695 1HG MET 92 1HG MET 92 16.366 0.594 -10.902 696 2HG MET 92 2HG MET 92 14.895 1.421 -11.375 697 1HE MET 92 1HE MET 92 17.346 3.689 -9.720 698 2HE MET 92 2HE MET 92 16.447 3.193 -11.174 699 3HE MET 92 3HE MET 92 15.723 4.349 -10.030 700 H GLY 93 H GLY 93 14.792 -3.805 -8.922 701 1HA GLY 93 1HA GLY 93 14.137 -4.844 -7.041 702 2HA GLY 93 2HA GLY 93 15.110 -3.688 -6.153 703 H GLY 94 H GLY 94 12.717 -2.205 -8.192 704 1HA GLY 94 1HA GLY 94 10.347 -2.073 -7.448 705 2HA GLY 94 2HA GLY 94 10.974 -1.802 -5.834 706 H GLY 95 H GLY 95 10.896 -0.472 -9.182 707 1HA GLY 95 1HA GLY 95 12.122 2.005 -8.542 708 2HA GLY 95 2HA GLY 95 11.183 1.619 -9.970 709 H PHE 96 H PHE 96 11.282 3.542 -7.204 710 HA PHE 96 HA PHE 96 8.404 3.616 -6.842 711 1HB PHE 96 1HB PHE 96 10.655 5.304 -5.605 712 2HB PHE 96 2HB PHE 96 9.046 5.086 -4.945 713 HD1 PHE 96 1HD PHE 96 8.506 3.179 -3.617 714 HD2 PHE 96 2HD PHE 96 12.278 3.420 -5.545 715 HE1 PHE 96 1HE PHE 96 9.330 1.244 -2.247 716 HE2 PHE 96 2HE PHE 96 13.102 1.485 -4.175 717 HZ PHE 96 HZ PHE 96 11.618 0.420 -2.542 718 H THR 97 H THR 97 7.189 4.884 -8.159 719 HA THR 97 HA THR 97 8.145 7.573 -8.722 720 HB THR 97 HB THR 97 9.009 6.174 -10.605 721 HG1 THR 97 1HG THR 97 7.666 7.415 -12.226 722 1HG2 THR 97 1HG2 THR 97 6.041 5.491 -10.941 723 2HG2 THR 97 2HG2 THR 97 7.277 5.222 -12.193 724 3HG2 THR 97 3HG2 THR 97 7.363 4.334 -10.652 725 H ILE 98 H ILE 98 6.530 9.081 -8.838 726 HA ILE 98 HA ILE 98 3.811 7.982 -8.662 727 HB ILE 98 HB ILE 98 5.037 10.288 -7.151 728 1HG1 ILE 98 1HG1 ILE 98 3.875 8.636 -5.315 729 2HG1 ILE 98 2HG1 ILE 98 4.414 7.469 -6.507 730 1HG2 ILE 98 1HG2 ILE 98 3.010 11.082 -6.582 731 2HG2 ILE 98 2HG2 ILE 98 2.498 10.307 -8.101 732 3HG2 ILE 98 3HG2 ILE 98 2.263 9.466 -6.550 733 1HD1 ILE 98 1HD1 ILE 98 6.202 7.841 -4.872 734 2HD1 ILE 98 2HD1 ILE 98 6.709 8.500 -6.446 735 3HD1 ILE 98 3HD1 ILE 98 6.143 9.596 -5.163 736 H ARG 99 H ARG 99 2.239 8.939 -9.941 737 HA ARG 99 HA ARG 99 3.318 10.874 -11.812 738 1HB ARG 99 1HB ARG 99 1.798 8.517 -12.173 739 2HB ARG 99 2HB ARG 99 0.643 9.806 -12.443 740 1HG ARG 99 1HG ARG 99 3.323 10.159 -13.738 741 2HG ARG 99 2HG ARG 99 2.329 8.866 -14.378 742 1HD ARG 99 1HD ARG 99 0.521 11.010 -14.096 743 2HD ARG 99 2HD ARG 99 1.994 11.782 -14.650 744 HE ARG 99 HE ARG 99 1.447 9.384 -16.187 745 1HH1 ARG 99 2HH2 ARG 99 0.497 12.753 -15.823 746 2HH1 ARG 99 1HH2 ARG 99 -0.044 12.911 -17.461 747 1HH2 ARG 99 2HH1 ARG 99 0.734 9.592 -18.348 748 2HH2 ARG 99 1HH1 ARG 99 0.092 11.100 -18.907 749 H ASN 100 H ASN 100 2.900 12.955 -11.085 750 HA ASN 100 HA ASN 100 0.997 13.659 -9.297 751 1HB ASN 100 1HB ASN 100 2.152 15.291 -11.619 752 2HB ASN 100 2HB ASN 100 1.244 16.001 -10.299 753 1HD2 ASN 100 1HD2 ASN 100 3.573 17.040 -10.531 754 2HD2 ASN 100 2HD2 ASN 100 4.738 16.469 -9.384 755 HA PRO 101 HA PRO 101 -2.715 13.766 -11.631 756 1HB PRO 101 1HB PRO 101 -4.188 15.644 -10.300 757 2HB PRO 101 2HB PRO 101 -4.010 13.993 -9.741 758 1HG PRO 101 1HG PRO 101 -2.734 16.449 -8.702 759 2HG PRO 101 2HG PRO 101 -2.911 14.889 -7.922 760 1HD PRO 101 1HD PRO 101 -0.531 15.947 -9.124 761 2HD PRO 101 2HD PRO 101 -0.740 14.344 -8.448 Start of MODEL 8 1 H MET 1 H MET 1 -17.650 1.940 19.238 2 HA MET 1 HA MET 1 -16.041 3.630 20.786 3 1HB MET 1 1HB MET 1 -17.589 1.436 22.138 4 2HB MET 1 2HB MET 1 -15.889 1.508 22.556 5 1HG MET 1 1HG MET 1 -16.139 3.924 23.169 6 2HG MET 1 2HG MET 1 -17.838 3.857 22.745 7 1HE MET 1 1HE MET 1 -16.569 4.685 25.674 8 2HE MET 1 2HE MET 1 -18.258 4.831 25.134 9 3HE MET 1 3HE MET 1 -17.880 3.992 26.657 10 H GLN 2 H GLN 2 -15.376 2.797 18.394 11 HA GLN 2 HA GLN 2 -13.749 0.412 18.822 12 1HB GLN 2 1HB GLN 2 -15.298 1.421 16.457 13 2HB GLN 2 2HB GLN 2 -13.777 0.618 16.120 14 1HG GLN 2 1HG GLN 2 -15.716 -0.674 18.051 15 2HG GLN 2 2HG GLN 2 -16.032 -0.786 16.331 16 1HE2 GLN 2 1HE2 GLN 2 -15.058 -2.630 18.596 17 2HE2 GLN 2 2HE2 GLN 2 -13.726 -3.499 17.910 18 H GLU 3 H GLU 3 -11.923 0.613 16.754 19 HA GLU 3 HA GLU 3 -10.208 2.582 17.774 20 1HB GLU 3 1HB GLU 3 -9.820 0.232 16.489 21 2HB GLU 3 2HB GLU 3 -9.643 1.306 15.116 22 1HG GLU 3 1HG GLU 3 -7.438 1.044 16.047 23 2HG GLU 3 2HG GLU 3 -7.964 2.657 16.489 24 H GLN 4 H GLN 4 -9.140 4.333 16.479 25 HA GLN 4 HA GLN 4 -11.109 5.897 15.244 26 1HB GLN 4 1HB GLN 4 -8.950 6.586 16.566 27 2HB GLN 4 2HB GLN 4 -8.131 6.423 15.026 28 1HG GLN 4 1HG GLN 4 -9.543 8.109 13.993 29 2HG GLN 4 2HG GLN 4 -10.642 8.120 15.358 30 1HE2 GLN 4 1HE2 GLN 4 -10.478 10.089 16.163 31 2HE2 GLN 4 2HE2 GLN 4 -9.026 10.870 16.693 32 H ALA 5 H ALA 5 -11.960 5.078 13.330 33 HA ALA 5 HA ALA 5 -10.267 3.868 11.376 34 1HB ALA 5 1HB ALA 5 -12.241 3.082 10.630 35 2HB ALA 5 2HB ALA 5 -12.997 3.896 12.020 36 3HB ALA 5 3HB ALA 5 -12.901 4.725 10.448 37 H GLN 6 H GLN 6 -10.292 4.697 9.036 38 HA GLN 6 HA GLN 6 -10.814 7.360 8.514 39 1HB GLN 6 1HB GLN 6 -8.740 8.467 8.661 40 2HB GLN 6 2HB GLN 6 -8.791 7.531 10.142 41 1HG GLN 6 1HG GLN 6 -7.561 5.669 8.745 42 2HG GLN 6 2HG GLN 6 -7.212 6.958 7.611 43 1HE2 GLN 6 1HE2 GLN 6 -5.021 6.846 7.986 44 2HE2 GLN 6 2HE2 GLN 6 -4.264 7.441 9.427 45 H GLN 7 H GLN 7 -11.257 7.240 6.360 46 HA GLN 7 HA GLN 7 -9.514 5.501 4.794 47 1HB GLN 7 1HB GLN 7 -12.061 4.860 5.235 48 2HB GLN 7 2HB GLN 7 -12.370 6.032 3.970 49 1HG GLN 7 1HG GLN 7 -10.748 4.800 2.477 50 2HG GLN 7 2HG GLN 7 -10.535 3.600 3.736 51 1HE2 GLN 7 1HE2 GLN 7 -12.433 4.700 1.140 52 2HE2 GLN 7 2HE2 GLN 7 -13.722 3.546 1.214 53 H PHE 8 H PHE 8 -8.133 6.987 3.844 54 HA PHE 8 HA PHE 8 -9.228 9.477 2.873 55 1HB PHE 8 1HB PHE 8 -6.422 8.264 2.575 56 2HB PHE 8 2HB PHE 8 -6.831 9.967 2.507 57 HD1 PHE 8 1HD PHE 8 -4.748 8.593 4.285 58 HD2 PHE 8 2HD PHE 8 -8.776 9.741 4.967 59 HE1 PHE 8 1HE PHE 8 -4.271 8.807 6.740 60 HE2 PHE 8 2HE PHE 8 -8.299 9.954 7.422 61 HZ PHE 8 HZ PHE 8 -6.052 9.485 8.279 62 H ILE 9 H ILE 9 -8.696 10.232 0.618 63 HA ILE 9 HA ILE 9 -9.380 8.124 -1.225 64 HB ILE 9 HB ILE 9 -9.231 11.114 -1.325 65 1HG1 ILE 9 1HG1 ILE 9 -11.544 11.016 -1.686 66 2HG1 ILE 9 2HG1 ILE 9 -11.503 9.343 -2.203 67 1HG2 ILE 9 1HG2 ILE 9 -9.974 10.859 -3.762 68 2HG2 ILE 9 2HG2 ILE 9 -8.244 10.652 -3.399 69 3HG2 ILE 9 3HG2 ILE 9 -9.272 9.225 -3.676 70 1HD1 ILE 9 1HD1 ILE 9 -11.037 8.565 0.051 71 2HD1 ILE 9 2HD1 ILE 9 -10.774 10.229 0.623 72 3HD1 ILE 9 3HD1 ILE 9 -12.405 9.700 0.145 73 H PHE 10 H PHE 10 -7.832 6.836 -2.060 74 HA PHE 10 HA PHE 10 -5.527 8.072 -3.240 75 1HB PHE 10 1HB PHE 10 -5.032 7.650 -0.730 76 2HB PHE 10 2HB PHE 10 -5.294 5.943 -1.030 77 HD1 PHE 10 1HD PHE 10 -3.361 4.716 -1.166 78 HD2 PHE 10 2HD PHE 10 -3.339 8.686 -2.665 79 HE1 PHE 10 1HE PHE 10 -0.949 4.459 -1.811 80 HE2 PHE 10 2HE PHE 10 -0.927 8.429 -3.309 81 HZ PHE 10 HZ PHE 10 0.239 6.319 -2.874 82 H LYS 11 H LYS 11 -4.448 6.665 -4.750 83 HA LYS 11 HA LYS 11 -5.656 4.024 -5.055 84 1HB LYS 11 1HB LYS 11 -5.616 6.210 -7.142 85 2HB LYS 11 2HB LYS 11 -5.736 4.516 -7.572 86 1HG LYS 11 1HG LYS 11 -7.912 4.370 -6.887 87 2HG LYS 11 2HG LYS 11 -7.602 5.252 -5.405 88 1HD LYS 11 1HD LYS 11 -7.627 6.740 -8.046 89 2HD LYS 11 2HD LYS 11 -9.146 6.314 -7.284 90 1HE LYS 11 1HE LYS 11 -8.266 7.428 -5.141 91 2HE LYS 11 2HE LYS 11 -6.914 8.018 -6.088 92 1HZ LYS 11 1HZ LYS 11 -9.673 8.823 -6.165 93 2HZ LYS 11 2HZ LYS 11 -8.322 9.702 -6.429 94 3HZ LYS 11 3HZ LYS 11 -8.924 8.756 -7.615 95 H VAL 12 H VAL 12 -4.268 2.474 -6.031 96 HA VAL 12 HA VAL 12 -1.546 3.447 -6.532 97 HB VAL 12 HB VAL 12 -2.180 2.237 -4.235 98 1HG1 VAL 12 1HG1 VAL 12 -1.545 -0.167 -4.373 99 2HG1 VAL 12 2HG1 VAL 12 -3.067 0.208 -5.215 100 3HG1 VAL 12 3HG1 VAL 12 -1.572 -0.041 -6.148 101 1HG2 VAL 12 1HG2 VAL 12 0.319 1.140 -4.720 102 2HG2 VAL 12 2HG2 VAL 12 0.238 2.500 -5.865 103 3HG2 VAL 12 3HG2 VAL 12 -0.009 2.785 -4.126 104 H THR 13 H THR 13 -0.580 2.601 -8.350 105 HA THR 13 HA THR 13 -2.157 1.415 -10.296 106 HB THR 13 HB THR 13 -0.016 1.209 -11.491 107 HG1 THR 13 1HG THR 13 1.095 1.729 -8.827 108 1HG2 THR 13 1HG2 THR 13 0.740 3.432 -11.384 109 2HG2 THR 13 2HG2 THR 13 -0.856 3.610 -10.616 110 3HG2 THR 13 3HG2 THR 13 0.608 3.493 -9.610 111 H ASP 14 H ASP 14 -2.094 -0.705 -11.284 112 HA ASP 14 HA ASP 14 -2.572 -2.682 -9.466 113 1HB ASP 14 1HB ASP 14 -2.518 -2.373 -12.311 114 2HB ASP 14 2HB ASP 14 -1.566 -3.802 -11.962 115 H LYS 15 H LYS 15 0.406 -1.762 -11.281 116 HA LYS 15 HA LYS 15 1.933 -4.011 -10.636 117 1HB LYS 15 1HB LYS 15 2.233 -1.775 -12.211 118 2HB LYS 15 2HB LYS 15 3.387 -1.466 -10.929 119 1HG LYS 15 1HG LYS 15 4.281 -3.838 -11.276 120 2HG LYS 15 2HG LYS 15 3.239 -3.963 -12.679 121 1HD LYS 15 1HD LYS 15 4.360 -1.862 -13.603 122 2HD LYS 15 2HD LYS 15 5.489 -1.941 -12.265 123 1HE LYS 15 1HE LYS 15 6.477 -3.955 -13.037 124 2HE LYS 15 2HE LYS 15 5.081 -4.392 -14.000 125 1HZ LYS 15 1HZ LYS 15 7.014 -3.510 -15.248 126 2HZ LYS 15 2HZ LYS 15 5.609 -2.737 -15.556 127 3HZ LYS 15 3HZ LYS 15 6.730 -2.041 -14.595 128 H ALA 16 H ALA 16 1.413 -0.858 -8.965 129 HA ALA 16 HA ALA 16 3.311 -1.256 -6.961 130 1HB ALA 16 1HB ALA 16 2.301 0.914 -7.454 131 2HB ALA 16 2HB ALA 16 0.696 0.304 -6.985 132 3HB ALA 16 3HB ALA 16 1.975 0.477 -5.760 133 H VAL 17 H VAL 17 -0.206 -2.091 -7.164 134 HA VAL 17 HA VAL 17 -0.315 -3.160 -4.559 135 HB VAL 17 HB VAL 17 -2.030 -2.787 -6.858 136 1HG1 VAL 17 1HG1 VAL 17 -2.162 -5.119 -7.183 137 2HG1 VAL 17 2HG1 VAL 17 -2.163 -5.451 -5.434 138 3HG1 VAL 17 3HG1 VAL 17 -3.591 -4.715 -6.201 139 1HG2 VAL 17 1HG2 VAL 17 -3.369 -1.914 -5.283 140 2HG2 VAL 17 2HG2 VAL 17 -3.298 -3.385 -4.283 141 3HG2 VAL 17 3HG2 VAL 17 -2.009 -2.164 -4.162 142 H GLU 18 H GLU 18 -0.152 -4.742 -7.830 143 HA GLU 18 HA GLU 18 0.072 -7.298 -6.856 144 1HB GLU 18 1HB GLU 18 -0.113 -6.169 -9.336 145 2HB GLU 18 2HB GLU 18 1.572 -6.649 -9.359 146 1HG GLU 18 1HG GLU 18 0.322 -8.895 -8.263 147 2HG GLU 18 2HG GLU 18 -0.864 -8.332 -9.424 148 H GLU 19 H GLU 19 2.400 -4.673 -6.954 149 HA GLU 19 HA GLU 19 4.709 -6.251 -6.939 150 1HB GLU 19 1HB GLU 19 5.079 -4.013 -7.535 151 2HB GLU 19 2HB GLU 19 4.044 -3.388 -6.266 152 1HG GLU 19 1HG GLU 19 6.439 -2.972 -5.755 153 2HG GLU 19 2HG GLU 19 5.705 -4.004 -4.545 154 H ILE 20 H ILE 20 2.258 -5.623 -4.568 155 HA ILE 20 HA ILE 20 4.016 -6.074 -2.320 156 HB ILE 20 HB ILE 20 1.014 -5.942 -2.267 157 1HG1 ILE 20 1HG1 ILE 20 1.396 -4.001 -3.469 158 2HG1 ILE 20 2HG1 ILE 20 1.448 -3.431 -1.813 159 1HG2 ILE 20 1HG2 ILE 20 3.243 -5.674 -0.299 160 2HG2 ILE 20 2HG2 ILE 20 1.781 -4.688 -0.060 161 3HG2 ILE 20 3HG2 ILE 20 1.654 -6.461 -0.140 162 1HD1 ILE 20 1HD1 ILE 20 4.071 -4.052 -2.101 163 2HD1 ILE 20 2HD1 ILE 20 3.672 -3.706 -3.801 164 3HD1 ILE 20 3HD1 ILE 20 3.408 -2.463 -2.555 165 H LYS 21 H LYS 21 1.515 -7.790 -4.249 166 HA LYS 21 HA LYS 21 1.370 -10.043 -2.596 167 1HB LYS 21 1HB LYS 21 0.823 -9.724 -5.562 168 2HB LYS 21 2HB LYS 21 0.376 -11.123 -4.607 169 1HG LYS 21 1HG LYS 21 -0.888 -9.501 -3.048 170 2HG LYS 21 2HG LYS 21 -0.617 -8.261 -4.256 171 1HD LYS 21 1HD LYS 21 -1.874 -10.921 -5.021 172 2HD LYS 21 2HD LYS 21 -2.851 -9.634 -4.343 173 1HE LYS 21 1HE LYS 21 -2.373 -8.150 -6.172 174 2HE LYS 21 2HE LYS 21 -1.015 -9.116 -6.714 175 1HZ LYS 21 1HZ LYS 21 -3.161 -9.363 -7.956 176 2HZ LYS 21 2HZ LYS 21 -2.442 -10.756 -7.496 177 3HZ LYS 21 3HZ LYS 21 -3.737 -10.195 -6.673 178 H LYS 22 H LYS 22 3.504 -9.163 -5.362 179 HA LYS 22 HA LYS 22 4.745 -11.654 -5.581 180 1HB LYS 22 1HB LYS 22 6.214 -10.603 -7.049 181 2HB LYS 22 2HB LYS 22 4.755 -9.644 -7.185 182 1HG LYS 22 1HG LYS 22 5.957 -7.806 -6.629 183 2HG LYS 22 2HG LYS 22 6.197 -8.482 -5.031 184 1HD LYS 22 1HD LYS 22 7.975 -9.088 -7.440 185 2HD LYS 22 2HD LYS 22 8.351 -7.896 -6.213 186 1HE LYS 22 1HE LYS 22 8.221 -9.739 -4.465 187 2HE LYS 22 2HE LYS 22 8.003 -10.898 -5.761 188 1HZ LYS 22 1HZ LYS 22 10.328 -10.519 -4.965 189 2HZ LYS 22 2HZ LYS 22 10.117 -10.433 -6.582 190 3HZ LYS 22 3HZ LYS 22 10.287 -9.065 -5.707 191 H VAL 23 H VAL 23 5.035 -9.041 -3.236 192 HA VAL 23 HA VAL 23 7.549 -10.098 -2.242 193 HB VAL 23 HB VAL 23 5.887 -7.658 -1.837 194 1HG1 VAL 23 1HG1 VAL 23 7.733 -8.842 0.246 195 2HG1 VAL 23 2HG1 VAL 23 7.416 -7.093 0.146 196 3HG1 VAL 23 3HG1 VAL 23 6.075 -8.225 0.444 197 1HG2 VAL 23 1HG2 VAL 23 7.894 -7.904 -3.414 198 2HG2 VAL 23 2HG2 VAL 23 7.891 -6.505 -2.313 199 3HG2 VAL 23 3HG2 VAL 23 8.898 -7.925 -1.944 200 H ALA 24 H ALA 24 4.055 -10.057 -1.543 201 HA ALA 24 HA ALA 24 4.342 -11.089 1.094 202 1HB ALA 24 1HB ALA 24 2.377 -9.793 -0.182 203 2HB ALA 24 2HB ALA 24 1.839 -11.457 -0.514 204 3HB ALA 24 3HB ALA 24 2.045 -10.907 1.166 205 H GLN 25 H GLN 25 3.539 -12.478 -2.155 206 HA GLN 25 HA GLN 25 3.163 -15.057 -1.241 207 1HB GLN 25 1HB GLN 25 3.561 -15.699 -3.644 208 2HB GLN 25 2HB GLN 25 2.402 -14.401 -3.444 209 1HG GLN 25 1HG GLN 25 3.654 -13.166 -4.876 210 2HG GLN 25 2HG GLN 25 4.877 -13.064 -3.625 211 1HE2 GLN 25 1HE2 GLN 25 6.605 -14.525 -3.590 212 2HE2 GLN 25 2HE2 GLN 25 7.109 -15.401 -4.997 213 H GLU 26 H GLU 26 6.072 -13.153 -1.735 214 HA GLU 26 HA GLU 26 7.764 -15.433 -1.960 215 1HB GLU 26 1HB GLU 26 8.012 -12.786 -2.665 216 2HB GLU 26 2HB GLU 26 8.951 -12.812 -1.185 217 1HG GLU 26 1HG GLU 26 9.807 -15.138 -2.464 218 2HG GLU 26 2HG GLU 26 9.542 -14.052 -3.813 219 H ASN 27 H ASN 27 6.172 -13.739 0.591 220 HA ASN 27 HA ASN 27 8.116 -14.783 2.493 221 1HB ASN 27 1HB ASN 27 6.115 -12.484 2.641 222 2HB ASN 27 2HB ASN 27 6.804 -13.167 4.100 223 1HD2 ASN 27 1HD2 ASN 27 7.131 -10.861 1.755 224 2HD2 ASN 27 2HD2 ASN 27 8.803 -10.444 1.932 225 H ASN 28 H ASN 28 5.367 -15.671 0.943 226 HA ASN 28 HA ASN 28 3.714 -17.020 1.324 227 1HB ASN 28 1HB ASN 28 5.742 -18.070 2.855 228 2HB ASN 28 2HB ASN 28 4.546 -17.795 4.106 229 1HD2 ASN 28 1HD2 ASN 28 5.717 -20.048 2.140 230 2HD2 ASN 28 2HD2 ASN 28 4.335 -21.053 1.858 231 H ILE 29 H ILE 29 3.459 -14.233 2.139 232 HA ILE 29 HA ILE 29 1.928 -14.378 4.621 233 HB ILE 29 HB ILE 29 3.071 -12.093 3.023 234 1HG1 ILE 29 1HG1 ILE 29 3.612 -12.899 5.889 235 2HG1 ILE 29 2HG1 ILE 29 4.547 -13.509 4.539 236 1HG2 ILE 29 1HG2 ILE 29 2.194 -10.659 4.914 237 2HG2 ILE 29 2HG2 ILE 29 0.980 -11.264 3.761 238 3HG2 ILE 29 3HG2 ILE 29 1.152 -12.032 5.358 239 1HD1 ILE 29 1HD1 ILE 29 5.615 -11.510 5.572 240 2HD1 ILE 29 2HD1 ILE 29 5.163 -11.205 3.877 241 3HD1 ILE 29 3HD1 ILE 29 4.162 -10.552 5.197 242 H GLU 30 H GLU 30 -0.276 -14.222 4.674 243 HA GLU 30 HA GLU 30 -1.526 -13.882 2.063 244 1HB GLU 30 1HB GLU 30 -1.825 -15.894 4.068 245 2HB GLU 30 2HB GLU 30 -3.320 -14.980 4.063 246 1HG GLU 30 1HG GLU 30 -3.589 -15.325 1.640 247 2HG GLU 30 2HG GLU 30 -2.015 -16.088 1.534 248 H ASN 31 H ASN 31 -0.674 -11.989 4.514 249 HA ASN 31 HA ASN 31 -3.023 -10.366 4.201 250 1HB ASN 31 1HB ASN 31 -3.242 -11.838 6.351 251 2HB ASN 31 2HB ASN 31 -1.927 -10.882 7.005 252 1HD2 ASN 31 1HD2 ASN 31 -2.640 -9.427 8.349 253 2HD2 ASN 31 2HD2 ASN 31 -4.041 -8.423 8.172 254 HA PRO 32 HA PRO 32 1.079 -8.284 4.359 255 1HB PRO 32 1HB PRO 32 1.100 -7.232 1.836 256 2HB PRO 32 2HB PRO 32 1.867 -8.754 2.247 257 1HG PRO 32 1HG PRO 32 -0.661 -8.287 0.788 258 2HG PRO 32 2HG PRO 32 0.326 -9.734 0.839 259 1HD PRO 32 1HD PRO 32 -2.135 -9.285 2.242 260 2HD PRO 32 2HD PRO 32 -1.090 -10.684 2.382 261 H ILE 33 H ILE 33 1.526 -6.205 4.992 262 HA ILE 33 HA ILE 33 -0.744 -4.392 4.566 263 HB ILE 33 HB ILE 33 0.867 -4.812 7.084 264 1HG1 ILE 33 1HG1 ILE 33 -2.095 -4.959 7.079 265 2HG1 ILE 33 2HG1 ILE 33 -1.273 -6.256 6.233 266 1HG2 ILE 33 1HG2 ILE 33 -1.422 -2.983 7.207 267 2HG2 ILE 33 2HG2 ILE 33 0.214 -2.832 7.890 268 3HG2 ILE 33 3HG2 ILE 33 -0.085 -2.393 6.191 269 1HD1 ILE 33 1HD1 ILE 33 -1.622 -5.983 9.039 270 2HD1 ILE 33 2HD1 ILE 33 -0.660 -7.216 8.189 271 3HD1 ILE 33 3HD1 ILE 33 0.110 -5.707 8.734 272 H LEU 34 H LEU 34 0.055 -3.109 2.945 273 HA LEU 34 HA LEU 34 2.817 -2.222 3.164 274 1HB LEU 34 1HB LEU 34 1.361 -3.061 1.049 275 2HB LEU 34 2HB LEU 34 1.088 -1.334 0.932 276 HG LEU 34 HG LEU 34 2.950 -1.993 -0.468 277 1HD1 LEU 34 1HD1 LEU 34 2.977 0.224 0.666 278 2HD1 LEU 34 2HD1 LEU 34 4.016 -0.479 1.929 279 3HD1 LEU 34 3HD1 LEU 34 4.593 -0.394 0.247 280 1HD2 LEU 34 1HD2 LEU 34 5.010 -2.942 0.427 281 2HD2 LEU 34 2HD2 LEU 34 4.292 -3.007 2.054 282 3HD2 LEU 34 3HD2 LEU 34 3.625 -4.014 0.746 283 H ARG 35 H ARG 35 3.424 -0.190 3.783 284 HA ARG 35 HA ARG 35 1.207 1.582 4.416 285 1HB ARG 35 1HB ARG 35 2.698 2.594 6.113 286 2HB ARG 35 2HB ARG 35 2.593 0.864 6.366 287 1HG ARG 35 1HG ARG 35 4.769 0.470 5.478 288 2HG ARG 35 2HG ARG 35 4.813 2.010 4.642 289 1HD ARG 35 1HD ARG 35 5.664 3.083 6.465 290 2HD ARG 35 2HD ARG 35 4.444 2.406 7.526 291 HE ARG 35 HE ARG 35 6.359 0.369 6.819 292 1HH1 ARG 35 2HH2 ARG 35 5.999 3.233 8.831 293 2HH1 ARG 35 1HH2 ARG 35 7.175 2.720 9.994 294 1HH2 ARG 35 2HH1 ARG 35 7.911 -0.309 8.354 295 2HH2 ARG 35 1HH1 ARG 35 8.270 0.692 9.721 296 H ILE 36 H ILE 36 1.398 3.861 3.860 297 HA ILE 36 HA ILE 36 3.349 4.311 1.722 298 HB ILE 36 HB ILE 36 0.563 5.204 2.245 299 1HG1 ILE 36 1HG1 ILE 36 0.628 5.010 -0.343 300 2HG1 ILE 36 2HG1 ILE 36 2.170 4.211 -0.105 301 1HG2 ILE 36 1HG2 ILE 36 0.860 7.093 0.634 302 2HG2 ILE 36 2HG2 ILE 36 1.633 7.344 2.218 303 3HG2 ILE 36 3HG2 ILE 36 2.620 6.896 0.806 304 1HD1 ILE 36 1HD1 ILE 36 -0.570 3.240 0.483 305 2HD1 ILE 36 2HD1 ILE 36 0.913 2.319 0.135 306 3HD1 ILE 36 3HD1 ILE 36 0.607 2.925 1.780 307 H ARG 37 H ARG 37 5.173 5.287 2.423 308 HA ARG 37 HA ARG 37 4.773 7.449 4.331 309 1HB ARG 37 1HB ARG 37 6.092 5.127 4.945 310 2HB ARG 37 2HB ARG 37 7.429 6.048 4.286 311 1HG ARG 37 1HG ARG 37 5.894 7.776 6.037 312 2HG ARG 37 2HG ARG 37 6.235 6.283 6.888 313 1HD ARG 37 1HD ARG 37 8.594 7.219 5.401 314 2HD ARG 37 2HD ARG 37 8.013 8.448 6.506 315 HE ARG 37 HE ARG 37 8.031 5.930 7.873 316 1HH1 ARG 37 2HH2 ARG 37 10.263 8.326 6.586 317 2HH1 ARG 37 1HH2 ARG 37 11.521 7.948 7.716 318 1HH2 ARG 37 2HH1 ARG 37 9.689 5.431 9.364 319 2HH2 ARG 37 1HH1 ARG 37 11.192 6.290 9.306 320 H VAL 38 H VAL 38 6.487 9.193 4.183 321 HA VAL 38 HA VAL 38 7.259 9.527 1.395 322 HB VAL 38 HB VAL 38 7.615 11.619 3.495 323 1HG1 VAL 38 1HG1 VAL 38 6.391 12.735 1.290 324 2HG1 VAL 38 2HG1 VAL 38 8.145 12.683 1.588 325 3HG1 VAL 38 3HG1 VAL 38 7.377 11.440 0.571 326 1HG2 VAL 38 1HG2 VAL 38 5.489 11.283 4.203 327 2HG2 VAL 38 2HG2 VAL 38 5.077 12.159 2.709 328 3HG2 VAL 38 3HG2 VAL 38 5.027 10.380 2.741 329 H VAL 39 H VAL 39 9.388 9.693 0.703 330 HA VAL 39 HA VAL 39 11.516 9.991 2.567 331 HB VAL 39 HB VAL 39 10.994 7.681 3.037 332 1HG1 VAL 39 1HG1 VAL 39 10.410 6.122 1.521 333 2HG1 VAL 39 2HG1 VAL 39 10.160 7.502 0.425 334 3HG1 VAL 39 3HG1 VAL 39 11.695 6.603 0.387 335 1HG2 VAL 39 1HG2 VAL 39 13.215 7.583 3.307 336 2HG2 VAL 39 2HG2 VAL 39 13.273 6.790 1.715 337 3HG2 VAL 39 3HG2 VAL 39 13.515 8.549 1.842 338 HA PRO 40 HA PRO 40 12.648 11.486 -1.416 339 1HB PRO 40 1HB PRO 40 14.465 13.334 -0.549 340 2HB PRO 40 2HB PRO 40 12.755 13.678 -0.720 341 1HG PRO 40 1HG PRO 40 14.313 13.214 1.748 342 2HG PRO 40 2HG PRO 40 12.740 13.964 1.568 343 1HD PRO 40 1HD PRO 40 13.278 11.307 2.506 344 2HD PRO 40 2HD PRO 40 11.702 12.017 2.215 345 H GLY 41 H GLY 41 14.715 11.765 -2.702 346 1HA GLY 41 1HA GLY 41 16.780 9.968 -1.614 347 2HA GLY 41 2HA GLY 41 16.065 9.631 -3.178 348 H GLY 42 H GLY 42 15.756 12.164 -4.324 349 1HA GLY 42 1HA GLY 42 16.966 14.138 -4.806 350 2HA GLY 42 2HA GLY 42 18.432 13.389 -4.206 351 H CYS 43 H CYS 43 18.890 11.108 -5.436 352 HA CYS 43 HA CYS 43 19.232 11.892 -8.161 353 1HB CYS 43 1HB CYS 43 20.611 10.236 -6.373 354 2HB CYS 43 2HB CYS 43 19.951 9.129 -7.561 355 HG CYS 43 HG CYS 43 22.533 10.397 -7.830 356 H SER 44 H SER 44 17.356 9.477 -6.241 357 HA SER 44 HA SER 44 16.246 8.295 -8.561 358 1HB SER 44 1HB SER 44 15.855 8.035 -5.584 359 2HB SER 44 2HB SER 44 14.605 7.399 -6.635 360 HG SER 44 HG SER 44 16.214 5.786 -6.137 361 H GLY 45 H GLY 45 15.208 10.696 -6.075 362 1HA GLY 45 1HA GLY 45 13.855 12.534 -6.957 363 2HA GLY 45 2HA GLY 45 12.887 11.338 -7.796 364 H PHE 46 H PHE 46 11.332 12.851 -6.328 365 HA PHE 46 HA PHE 46 11.193 11.919 -3.607 366 1HB PHE 46 1HB PHE 46 10.676 14.288 -4.678 367 2HB PHE 46 2HB PHE 46 9.174 13.568 -5.222 368 HD1 PHE 46 1HD PHE 46 10.902 15.089 -2.475 369 HD2 PHE 46 2HD PHE 46 7.576 12.653 -3.479 370 HE1 PHE 46 1HE PHE 46 9.847 15.617 -0.260 371 HE2 PHE 46 2HE PHE 46 6.521 13.181 -1.263 372 HZ PHE 46 HZ PHE 46 7.669 14.656 0.320 373 H GLN 47 H GLN 47 10.458 9.843 -3.331 374 HA GLN 47 HA GLN 47 7.821 9.325 -4.373 375 1HB GLN 47 1HB GLN 47 8.648 6.940 -5.012 376 2HB GLN 47 2HB GLN 47 8.977 8.255 -6.123 377 1HG GLN 47 1HG GLN 47 11.147 8.208 -4.250 378 2HG GLN 47 2HG GLN 47 10.863 6.545 -4.725 379 1HE2 GLN 47 1HE2 GLN 47 10.882 9.790 -6.203 380 2HE2 GLN 47 2HE2 GLN 47 11.786 9.379 -7.622 381 H TYR 48 H TYR 48 6.844 7.317 -3.300 382 HA TYR 48 HA TYR 48 7.801 7.236 -0.538 383 1HB TYR 48 1HB TYR 48 5.242 6.369 -2.022 384 2HB TYR 48 2HB TYR 48 5.446 6.202 -0.290 385 HD1 TYR 48 1HD TYR 48 4.492 7.838 1.044 386 HD2 TYR 48 2HD TYR 48 5.763 8.885 -2.905 387 HE1 TYR 48 1HE TYR 48 3.590 10.193 1.370 388 HE2 TYR 48 2HE TYR 48 4.856 11.236 -2.566 389 HH TYR 48 HH TYR 48 4.389 12.624 0.054 390 H ALA 49 H ALA 49 8.839 5.477 0.260 391 HA ALA 49 HA ALA 49 9.173 3.199 -1.458 392 1HB ALA 49 1HB ALA 49 10.945 2.680 -0.068 393 2HB ALA 49 2HB ALA 49 10.830 4.430 0.231 394 3HB ALA 49 3HB ALA 49 10.119 3.281 1.390 395 H MET 50 H MET 50 8.653 0.980 -0.825 396 HA MET 50 HA MET 50 6.126 0.942 0.560 397 1HB MET 50 1HB MET 50 7.704 -1.108 -1.084 398 2HB MET 50 2HB MET 50 6.187 -1.509 -0.302 399 1HG MET 50 1HG MET 50 4.936 -0.002 -1.670 400 2HG MET 50 2HG MET 50 6.359 0.906 -2.138 401 1HE MET 50 1HE MET 50 3.868 -0.596 -3.416 402 2HE MET 50 2HE MET 50 4.722 -0.028 -4.871 403 3HE MET 50 3HE MET 50 4.313 -1.751 -4.694 404 H GLY 51 H GLY 51 5.783 -1.300 1.865 405 1HA GLY 51 1HA GLY 51 7.940 -2.461 3.217 406 2HA GLY 51 2HA GLY 51 7.377 -1.106 4.176 407 H PHE 52 H PHE 52 7.126 -4.328 4.069 408 HA PHE 52 HA PHE 52 4.241 -4.366 4.581 409 1HB PHE 52 1HB PHE 52 4.822 -6.947 4.388 410 2HB PHE 52 2HB PHE 52 4.809 -5.999 2.914 411 HD1 PHE 52 1HD PHE 52 6.917 -7.740 5.341 412 HD2 PHE 52 2HD PHE 52 6.881 -5.457 1.764 413 HE1 PHE 52 1HE PHE 52 9.284 -8.435 4.874 414 HE2 PHE 52 2HE PHE 52 9.248 -6.151 1.297 415 HZ PHE 52 HZ PHE 52 10.421 -7.632 2.858 416 H ASP 53 H ASP 53 3.809 -4.079 6.726 417 HA ASP 53 HA ASP 53 5.676 -5.310 8.585 418 1HB ASP 53 1HB ASP 53 3.688 -3.024 8.799 419 2HB ASP 53 2HB ASP 53 4.266 -3.822 10.248 420 H ASP 54 H ASP 54 4.321 -5.902 10.793 421 HA ASP 54 HA ASP 54 1.881 -7.236 9.922 422 1HB ASP 54 1HB ASP 54 4.052 -8.278 11.801 423 2HB ASP 54 2HB ASP 54 2.499 -9.060 11.587 424 H THR 55 H THR 55 1.363 -4.857 10.923 425 HA THR 55 HA THR 55 0.070 -5.260 13.360 426 HB THR 55 HB THR 55 2.399 -5.281 14.278 427 HG1 THR 55 1HG THR 55 1.920 -3.231 15.618 428 1HG2 THR 55 1HG2 THR 55 3.257 -3.600 12.439 429 2HG2 THR 55 2HG2 THR 55 2.559 -2.345 13.491 430 3HG2 THR 55 3HG2 THR 55 3.856 -3.399 14.102 431 H VAL 56 H VAL 56 -1.228 -3.459 13.978 432 HA VAL 56 HA VAL 56 -1.494 -1.573 11.769 433 HB VAL 56 HB VAL 56 -3.269 -2.939 13.629 434 1HG1 VAL 56 1HG1 VAL 56 -4.872 -1.135 13.963 435 2HG1 VAL 56 2HG1 VAL 56 -3.310 -0.709 14.704 436 3HG1 VAL 56 3HG1 VAL 56 -3.785 0.016 13.149 437 1HG2 VAL 56 1HG2 VAL 56 -4.917 -2.095 11.769 438 2HG2 VAL 56 2HG2 VAL 56 -3.418 -1.655 10.915 439 3HG2 VAL 56 3HG2 VAL 56 -3.708 -3.345 11.391 440 H GLU 57 H GLU 57 -1.843 0.739 12.242 441 HA GLU 57 HA GLU 57 -0.142 1.500 14.455 442 1HB GLU 57 1HB GLU 57 -1.236 3.296 12.254 443 2HB GLU 57 2HB GLU 57 0.118 3.623 13.318 444 1HG GLU 57 1HG GLU 57 0.115 1.220 11.449 445 2HG GLU 57 2HG GLU 57 0.646 2.798 10.904 446 H GLU 58 H GLU 58 -0.831 3.752 15.499 447 HA GLU 58 HA GLU 58 -3.433 3.262 16.564 448 1HB GLU 58 1HB GLU 58 -1.037 4.436 17.499 449 2HB GLU 58 2HB GLU 58 -2.180 5.762 17.432 450 1HG GLU 58 1HG GLU 58 -3.796 4.513 18.806 451 2HG GLU 58 2HG GLU 58 -2.787 3.081 18.762 452 H GLY 59 H GLY 59 -3.658 3.827 13.830 453 1HA GLY 59 1HA GLY 59 -5.632 5.298 13.262 454 2HA GLY 59 2HA GLY 59 -4.604 6.626 13.763 455 H ASP 60 H ASP 60 -4.661 3.768 11.530 456 HA ASP 60 HA ASP 60 -3.083 5.403 9.702 457 1HB ASP 60 1HB ASP 60 -2.641 2.738 10.709 458 2HB ASP 60 2HB ASP 60 -3.016 2.594 9.003 459 H HIS 61 H HIS 61 -3.838 5.448 7.489 460 HA HIS 61 HA HIS 61 -6.581 4.984 7.148 461 1HB HIS 61 1HB HIS 61 -5.547 6.756 5.950 462 2HB HIS 61 2HB HIS 61 -4.331 5.697 5.264 463 HD1 HIS 61 1HD HIS 61 -7.772 4.305 5.170 464 HD2 HIS 61 2HD HIS 61 -5.312 6.638 2.700 465 HE1 HIS 61 1HE HIS 61 -8.851 4.281 2.858 466 H VAL 62 H VAL 62 -7.188 2.838 7.495 467 HA VAL 62 HA VAL 62 -5.727 0.713 6.265 468 HB VAL 62 HB VAL 62 -7.494 1.019 8.384 469 1HG1 VAL 62 1HG1 VAL 62 -9.263 -0.693 7.885 470 2HG1 VAL 62 2HG1 VAL 62 -9.451 0.841 7.000 471 3HG1 VAL 62 3HG1 VAL 62 -8.799 -0.592 6.169 472 1HG2 VAL 62 1HG2 VAL 62 -5.538 -0.675 7.733 473 2HG2 VAL 62 2HG2 VAL 62 -6.729 -1.048 9.002 474 3HG2 VAL 62 3HG2 VAL 62 -6.922 -1.734 7.371 475 H PHE 63 H PHE 63 -5.755 0.481 4.082 476 HA PHE 63 HA PHE 63 -8.357 0.863 2.775 477 1HB PHE 63 1HB PHE 63 -5.776 2.029 2.368 478 2HB PHE 63 2HB PHE 63 -5.919 0.840 1.088 479 HD1 PHE 63 1HD PHE 63 -9.038 1.171 0.926 480 HD2 PHE 63 2HD PHE 63 -5.785 3.895 0.837 481 HE1 PHE 63 1HE PHE 63 -10.421 2.779 -0.415 482 HE2 PHE 63 2HE PHE 63 -7.169 5.503 -0.504 483 HZ PHE 63 HZ PHE 63 -9.470 4.926 -1.114 484 H GLU 64 H GLU 64 -9.275 -0.971 1.995 485 HA GLU 64 HA GLU 64 -7.748 -3.362 2.009 486 1HB GLU 64 1HB GLU 64 -10.594 -2.821 1.050 487 2HB GLU 64 2HB GLU 64 -9.892 -4.413 1.262 488 1HG GLU 64 1HG GLU 64 -9.471 -3.846 3.699 489 2HG GLU 64 2HG GLU 64 -10.306 -2.325 3.454 490 H TYR 65 H TYR 65 -6.627 -4.268 0.328 491 HA TYR 65 HA TYR 65 -7.003 -3.027 -2.305 492 1HB TYR 65 1HB TYR 65 -4.796 -4.370 -0.692 493 2HB TYR 65 2HB TYR 65 -4.696 -4.498 -2.437 494 HD1 TYR 65 1HD TYR 65 -2.541 -3.268 -2.347 495 HD2 TYR 65 2HD TYR 65 -6.200 -1.477 -1.041 496 HE1 TYR 65 1HE TYR 65 -1.461 -0.968 -2.451 497 HE2 TYR 65 2HE TYR 65 -5.108 0.816 -1.149 498 HH TYR 65 HH TYR 65 -1.744 1.196 -1.474 499 H ASP 66 H ASP 66 -5.828 -4.962 -3.923 500 HA ASP 66 HA ASP 66 -7.978 -6.688 -4.267 501 1HB ASP 66 1HB ASP 66 -6.051 -5.817 -5.896 502 2HB ASP 66 2HB ASP 66 -5.227 -7.277 -5.387 503 H GLY 67 H GLY 67 -7.892 -7.553 -1.905 504 1HA GLY 67 1HA GLY 67 -7.662 -9.427 -0.651 505 2HA GLY 67 2HA GLY 67 -6.656 -10.143 -1.895 506 H VAL 68 H VAL 68 -6.071 -6.935 -0.382 507 HA VAL 68 HA VAL 68 -4.035 -8.032 1.342 508 HB VAL 68 HB VAL 68 -3.415 -6.351 -1.082 509 1HG1 VAL 68 1HG1 VAL 68 -1.833 -6.668 1.475 510 2HG1 VAL 68 2HG1 VAL 68 -1.056 -6.271 -0.077 511 3HG1 VAL 68 3HG1 VAL 68 -2.276 -5.174 0.614 512 1HG2 VAL 68 1HG2 VAL 68 -3.214 -8.625 -1.628 513 2HG2 VAL 68 2HG2 VAL 68 -1.552 -8.129 -1.229 514 3HG2 VAL 68 3HG2 VAL 68 -2.517 -9.042 -0.044 515 H LYS 69 H LYS 69 -3.189 -6.365 2.842 516 HA LYS 69 HA LYS 69 -5.186 -4.243 3.158 517 1HB LYS 69 1HB LYS 69 -4.370 -6.193 4.930 518 2HB LYS 69 2HB LYS 69 -3.399 -4.821 5.423 519 1HG LYS 69 1HG LYS 69 -5.633 -3.449 5.276 520 2HG LYS 69 2HG LYS 69 -6.429 -5.011 5.261 521 1HD LYS 69 1HD LYS 69 -4.492 -5.128 7.362 522 2HD LYS 69 2HD LYS 69 -5.280 -3.571 7.515 523 1HE LYS 69 1HE LYS 69 -6.854 -4.782 8.677 524 2HE LYS 69 2HE LYS 69 -7.482 -5.116 7.075 525 1HZ LYS 69 1HZ LYS 69 -7.231 -7.185 7.971 526 2HZ LYS 69 2HZ LYS 69 -5.821 -7.048 7.158 527 3HZ LYS 69 3HZ LYS 69 -5.855 -6.830 8.776 528 H VAL 70 H VAL 70 -4.497 -2.083 3.665 529 HA VAL 70 HA VAL 70 -1.650 -1.578 3.259 530 HB VAL 70 HB VAL 70 -3.921 -0.702 1.538 531 1HG1 VAL 70 1HG1 VAL 70 -3.129 1.411 2.514 532 2HG1 VAL 70 2HG1 VAL 70 -1.462 1.011 2.036 533 3HG1 VAL 70 3HG1 VAL 70 -2.702 1.292 0.790 534 1HG2 VAL 70 1HG2 VAL 70 -2.691 -2.102 0.260 535 2HG2 VAL 70 2HG2 VAL 70 -1.658 -0.673 0.017 536 3HG2 VAL 70 3HG2 VAL 70 -1.225 -1.885 1.246 537 H VAL 71 H VAL 71 -1.061 0.686 3.947 538 HA VAL 71 HA VAL 71 -3.026 1.925 5.690 539 HB VAL 71 HB VAL 71 -1.831 1.733 7.650 540 1HG1 VAL 71 1HG1 VAL 71 -2.808 -0.411 7.159 541 2HG1 VAL 71 2HG1 VAL 71 -1.416 -0.873 6.151 542 3HG1 VAL 71 3HG1 VAL 71 -1.218 -0.685 7.910 543 1HG2 VAL 71 1HG2 VAL 71 0.502 1.121 7.868 544 2HG2 VAL 71 2HG2 VAL 71 0.612 0.767 6.127 545 3HG2 VAL 71 3HG2 VAL 71 0.351 2.438 6.680 546 H ILE 72 H ILE 72 -2.268 4.117 6.415 547 HA ILE 72 HA ILE 72 -0.015 5.168 4.939 548 HB ILE 72 HB ILE 72 -2.665 6.515 4.550 549 1HG1 ILE 72 1HG1 ILE 72 -1.501 4.407 2.707 550 2HG1 ILE 72 2HG1 ILE 72 -2.889 4.169 3.750 551 1HG2 ILE 72 1HG2 ILE 72 -1.192 8.027 3.783 552 2HG2 ILE 72 2HG2 ILE 72 0.106 6.826 3.587 553 3HG2 ILE 72 3HG2 ILE 72 -1.154 6.986 2.340 554 1HD1 ILE 72 1HD1 ILE 72 -2.795 5.394 1.135 555 2HD1 ILE 72 2HD1 ILE 72 -4.218 5.050 2.147 556 3HD1 ILE 72 3HD1 ILE 72 -3.362 6.601 2.314 557 H ASP 73 H ASP 73 0.353 7.536 5.582 558 HA ASP 73 HA ASP 73 -0.209 7.675 8.412 559 1HB ASP 73 1HB ASP 73 1.721 9.141 6.565 560 2HB ASP 73 2HB ASP 73 1.483 9.637 8.229 561 HA PRO 74 HA PRO 74 -2.872 11.111 7.833 562 1HB PRO 74 1HB PRO 74 -2.498 12.583 10.105 563 2HB PRO 74 2HB PRO 74 -3.493 11.142 10.050 564 1HG PRO 74 1HG PRO 74 -0.790 11.484 11.195 565 2HG PRO 74 2HG PRO 74 -1.956 10.211 11.494 566 1HD PRO 74 1HD PRO 74 0.386 10.040 9.847 567 2HD PRO 74 2HD PRO 74 -0.841 8.807 10.055 568 H PHE 75 H PHE 75 0.471 11.728 8.280 569 HA PHE 75 HA PHE 75 0.154 14.465 7.386 570 1HB PHE 75 1HB PHE 75 2.000 12.850 8.912 571 2HB PHE 75 2HB PHE 75 2.881 13.364 7.487 572 HD1 PHE 75 1HD PHE 75 0.571 14.868 10.017 573 HD2 PHE 75 2HD PHE 75 4.079 15.316 7.671 574 HE1 PHE 75 1HE PHE 75 1.001 17.098 11.085 575 HE2 PHE 75 2HE PHE 75 4.509 17.546 8.740 576 HZ PHE 75 HZ PHE 75 2.965 18.411 10.434 577 H SER 76 H SER 76 0.536 11.317 6.025 578 HA SER 76 HA SER 76 2.000 12.296 3.753 579 1HB SER 76 1HB SER 76 0.867 9.555 4.454 580 2HB SER 76 2HB SER 76 1.725 9.887 2.962 581 HG SER 76 HG SER 76 3.227 10.850 5.015 582 H MET 77 H MET 77 -1.283 11.866 4.842 583 HA MET 77 HA MET 77 -2.558 11.290 2.479 584 1HB MET 77 1HB MET 77 -3.265 11.849 5.117 585 2HB MET 77 2HB MET 77 -3.899 13.259 4.292 586 1HG MET 77 1HG MET 77 -4.466 10.436 3.291 587 2HG MET 77 2HG MET 77 -5.471 11.200 4.507 588 1HE MET 77 1HE MET 77 -6.393 10.770 0.703 589 2HE MET 77 2HE MET 77 -4.973 11.712 0.190 590 3HE MET 77 3HE MET 77 -4.778 10.356 1.327 591 HA PRO 78 HA PRO 78 -2.688 15.984 1.761 592 1HB PRO 78 1HB PRO 78 -1.076 17.623 3.239 593 2HB PRO 78 2HB PRO 78 -2.759 17.329 3.629 594 1HG PRO 78 1HG PRO 78 -0.337 16.267 4.950 595 2HG PRO 78 2HG PRO 78 -1.979 16.338 5.560 596 1HD PRO 78 1HD PRO 78 -0.625 14.024 4.539 597 2HD PRO 78 2HD PRO 78 -2.302 14.121 5.040 598 H TYR 79 H TYR 79 -0.194 13.931 1.828 599 HA TYR 79 HA TYR 79 1.380 15.657 0.039 600 1HB TYR 79 1HB TYR 79 1.998 14.177 2.391 601 2HB TYR 79 2HB TYR 79 2.528 13.115 1.102 602 HD1 TYR 79 1HD TYR 79 3.643 15.525 3.296 603 HD2 TYR 79 2HD TYR 79 3.855 14.537 -0.862 604 HE1 TYR 79 1HE TYR 79 5.802 16.851 3.083 605 HE2 TYR 79 2HE TYR 79 6.013 15.866 -1.060 606 HH TYR 79 HH TYR 79 7.763 16.661 0.259 607 H VAL 80 H VAL 80 -0.857 13.125 0.114 608 HA VAL 80 HA VAL 80 0.001 12.292 -2.539 609 HB VAL 80 HB VAL 80 -0.400 9.920 -1.945 610 1HG1 VAL 80 1HG1 VAL 80 1.890 11.351 -1.752 611 2HG1 VAL 80 2HG1 VAL 80 1.789 10.702 -0.097 612 3HG1 VAL 80 3HG1 VAL 80 1.798 9.593 -1.489 613 1HG2 VAL 80 1HG2 VAL 80 -1.307 11.057 0.515 614 2HG2 VAL 80 2HG2 VAL 80 -1.307 9.350 0.009 615 3HG2 VAL 80 3HG2 VAL 80 0.100 10.025 0.866 616 H ASN 81 H ASN 81 -2.043 14.131 -1.591 617 HA ASN 81 HA ASN 81 -4.487 13.017 -1.219 618 1HB ASN 81 1HB ASN 81 -5.389 15.150 -1.884 619 2HB ASN 81 2HB ASN 81 -3.804 15.511 -1.228 620 1HD2 ASN 81 1HD2 ASN 81 -1.988 15.602 -2.767 621 2HD2 ASN 81 2HD2 ASN 81 -2.248 16.284 -4.338 622 H GLY 82 H GLY 82 -5.769 11.711 -2.540 623 1HA GLY 82 1HA GLY 82 -6.283 10.449 -4.356 624 2HA GLY 82 2HA GLY 82 -6.520 12.025 -5.086 625 H ALA 83 H ALA 83 -3.305 10.954 -3.978 626 HA ALA 83 HA ALA 83 -2.265 11.334 -6.613 627 1HB ALA 83 1HB ALA 83 -0.224 11.363 -5.554 628 2HB ALA 83 2HB ALA 83 -1.260 11.704 -4.147 629 3HB ALA 83 3HB ALA 83 -0.663 10.052 -4.433 630 H GLU 84 H GLU 84 -0.504 9.475 -7.250 631 HA GLU 84 HA GLU 84 -1.764 6.895 -6.891 632 1HB GLU 84 1HB GLU 84 -1.242 8.220 -9.582 633 2HB GLU 84 2HB GLU 84 -1.467 6.490 -9.415 634 1HG GLU 84 1HG GLU 84 -3.726 6.684 -8.879 635 2HG GLU 84 2HG GLU 84 -3.524 8.240 -8.100 636 H LEU 85 H LEU 85 -0.110 5.776 -5.932 637 HA LEU 85 HA LEU 85 2.606 6.425 -6.477 638 1HB LEU 85 1HB LEU 85 2.443 5.718 -4.352 639 2HB LEU 85 2HB LEU 85 1.088 4.656 -4.678 640 HG LEU 85 HG LEU 85 2.714 3.043 -5.745 641 1HD1 LEU 85 1HD1 LEU 85 4.549 5.234 -5.149 642 2HD1 LEU 85 2HD1 LEU 85 5.107 3.670 -4.507 643 3HD1 LEU 85 3HD1 LEU 85 4.736 3.839 -6.240 644 1HD2 LEU 85 1HD2 LEU 85 3.826 2.941 -3.142 645 2HD2 LEU 85 2HD2 LEU 85 2.171 3.577 -2.983 646 3HD2 LEU 85 3HD2 LEU 85 2.451 2.019 -3.798 647 H ASP 86 H ASP 86 3.489 5.988 -8.433 648 HA ASP 86 HA ASP 86 2.598 3.587 -9.772 649 1HB ASP 86 1HB ASP 86 3.266 6.167 -10.647 650 2HB ASP 86 2HB ASP 86 4.674 5.227 -11.096 651 H TYR 87 H TYR 87 4.065 1.848 -10.232 652 HA TYR 87 HA TYR 87 6.466 1.834 -8.624 653 1HB TYR 87 1HB TYR 87 4.833 -0.088 -8.777 654 2HB TYR 87 2HB TYR 87 5.037 -0.135 -10.516 655 HD1 TYR 87 1HD TYR 87 7.555 -0.498 -11.330 656 HD2 TYR 87 2HD TYR 87 6.049 -1.583 -7.475 657 HE1 TYR 87 1HE TYR 87 9.445 -2.177 -11.056 658 HE2 TYR 87 2HE TYR 87 7.944 -3.257 -7.214 659 HH TYR 87 HH TYR 87 10.319 -3.712 -9.820 660 H VAL 88 H VAL 88 8.463 2.340 -9.367 661 HA VAL 88 HA VAL 88 8.897 2.080 -12.261 662 HB VAL 88 HB VAL 88 9.335 4.362 -10.411 663 1HG1 VAL 88 1HG1 VAL 88 11.641 3.708 -10.998 664 2HG1 VAL 88 2HG1 VAL 88 11.217 3.787 -12.725 665 3HG1 VAL 88 3HG1 VAL 88 11.183 5.264 -11.732 666 1HG2 VAL 88 1HG2 VAL 88 9.185 5.189 -13.095 667 2HG2 VAL 88 2HG2 VAL 88 8.058 3.818 -12.954 668 3HG2 VAL 88 3HG2 VAL 88 7.889 5.224 -11.876 669 H VAL 89 H VAL 89 11.261 1.807 -12.818 670 HA VAL 89 HA VAL 89 12.602 0.347 -10.646 671 HB VAL 89 HB VAL 89 12.682 -0.197 -13.621 672 1HG1 VAL 89 1HG1 VAL 89 13.747 -2.369 -12.803 673 2HG1 VAL 89 2HG1 VAL 89 14.747 -0.900 -12.700 674 3HG1 VAL 89 3HG1 VAL 89 13.968 -1.551 -11.238 675 1HG2 VAL 89 1HG2 VAL 89 11.233 -2.028 -13.290 676 2HG2 VAL 89 2HG2 VAL 89 11.393 -1.949 -11.519 677 3HG2 VAL 89 3HG2 VAL 89 10.486 -0.688 -12.388 678 H ASP 90 H ASP 90 14.598 1.073 -10.074 679 HA ASP 90 HA ASP 90 16.258 2.323 -11.987 680 1HB ASP 90 1HB ASP 90 15.205 4.011 -9.668 681 2HB ASP 90 2HB ASP 90 16.456 4.505 -10.791 682 H PHE 91 H PHE 91 17.891 3.774 -10.021 683 HA PHE 91 HA PHE 91 19.695 3.196 -8.826 684 1HB PHE 91 1HB PHE 91 17.457 3.614 -7.341 685 2HB PHE 91 2HB PHE 91 17.700 1.936 -6.899 686 HD1 PHE 91 1HD PHE 91 20.082 4.774 -7.399 687 HD2 PHE 91 2HD PHE 91 18.544 1.828 -4.760 688 HE1 PHE 91 1HE PHE 91 21.740 5.475 -5.650 689 HE2 PHE 91 2HE PHE 91 20.203 2.529 -3.011 690 HZ PHE 91 HZ PHE 91 21.781 4.344 -3.477 691 H MET 92 H MET 92 19.362 0.973 -6.635 692 HA MET 92 HA MET 92 20.603 -1.020 -8.225 693 1HB MET 92 1HB MET 92 20.822 -2.191 -6.014 694 2HB MET 92 2HB MET 92 21.324 -0.517 -5.892 695 1HG MET 92 1HG MET 92 19.505 0.086 -4.577 696 2HG MET 92 2HG MET 92 18.422 -1.049 -5.357 697 1HE MET 92 1HE MET 92 19.284 -1.101 -1.495 698 2HE MET 92 2HE MET 92 18.207 -0.443 -2.751 699 3HE MET 92 3HE MET 92 17.890 -2.052 -2.059 700 H GLY 93 H GLY 93 17.359 -0.230 -7.563 701 1HA GLY 93 1HA GLY 93 16.441 -2.734 -8.668 702 2HA GLY 93 2HA GLY 93 15.993 -2.492 -6.991 703 H GLY 94 H GLY 94 14.392 -0.977 -6.425 704 1HA GLY 94 1HA GLY 94 13.270 1.105 -7.085 705 2HA GLY 94 2HA GLY 94 13.153 0.447 -8.705 706 H GLY 95 H GLY 95 10.765 1.093 -7.987 707 1HA GLY 95 1HA GLY 95 8.920 -0.583 -8.191 708 2HA GLY 95 2HA GLY 95 9.529 -1.264 -6.695 709 H PHE 96 H PHE 96 10.173 2.013 -6.459 710 HA PHE 96 HA PHE 96 7.516 2.592 -5.361 711 1HB PHE 96 1HB PHE 96 8.914 3.836 -3.552 712 2HB PHE 96 2HB PHE 96 8.966 2.086 -3.470 713 HD1 PHE 96 1HD PHE 96 10.943 0.985 -4.858 714 HD2 PHE 96 2HD PHE 96 10.910 4.994 -3.465 715 HE1 PHE 96 1HE PHE 96 13.448 1.053 -4.993 716 HE2 PHE 96 2HE PHE 96 13.415 5.061 -3.600 717 HZ PHE 96 HZ PHE 96 14.655 3.090 -4.362 718 H THR 97 H THR 97 6.722 4.160 -6.703 719 HA THR 97 HA THR 97 8.277 6.594 -6.947 720 HB THR 97 HB THR 97 7.743 4.652 -9.187 721 HG1 THR 97 1HG THR 97 9.906 5.061 -8.585 722 1HG2 THR 97 1HG2 THR 97 6.497 6.395 -10.207 723 2HG2 THR 97 2HG2 THR 97 7.391 7.665 -9.339 724 3HG2 THR 97 3HG2 THR 97 8.161 6.801 -10.691 725 H ILE 98 H ILE 98 7.001 8.443 -7.535 726 HA ILE 98 HA ILE 98 4.119 7.917 -7.426 727 HB ILE 98 HB ILE 98 5.040 8.561 -5.198 728 1HG1 ILE 98 1HG1 ILE 98 3.349 10.556 -4.978 729 2HG1 ILE 98 2HG1 ILE 98 2.939 10.159 -6.635 730 1HG2 ILE 98 1HG2 ILE 98 6.666 10.262 -6.442 731 2HG2 ILE 98 2HG2 ILE 98 5.323 11.383 -6.111 732 3HG2 ILE 98 3HG2 ILE 98 6.113 10.520 -4.770 733 1HD1 ILE 98 1HD1 ILE 98 1.968 8.888 -4.316 734 2HD1 ILE 98 2HD1 ILE 98 1.771 8.324 -5.993 735 3HD1 ILE 98 3HD1 ILE 98 3.130 7.731 -5.008 736 H ARG 99 H ARG 99 3.051 8.828 -9.100 737 HA ARG 99 HA ARG 99 4.476 10.967 -10.469 738 1HB ARG 99 1HB ARG 99 3.379 8.483 -11.449 739 2HB ARG 99 2HB ARG 99 2.428 9.781 -12.144 740 1HG ARG 99 1HG ARG 99 5.415 10.134 -12.149 741 2HG ARG 99 2HG ARG 99 4.760 8.928 -13.239 742 1HD ARG 99 1HD ARG 99 4.155 10.566 -14.688 743 2HD ARG 99 2HD ARG 99 3.078 11.240 -13.481 744 HE ARG 99 HE ARG 99 5.914 11.951 -13.116 745 1HH1 ARG 99 2HH2 ARG 99 2.830 12.865 -14.544 746 2HH1 ARG 99 1HH2 ARG 99 3.247 14.541 -14.684 747 1HH2 ARG 99 2HH1 ARG 99 6.464 14.161 -13.301 748 2HH2 ARG 99 1HH1 ARG 99 5.327 15.283 -13.973 749 H ASN 100 H ASN 100 3.507 12.807 -9.550 750 HA ASN 100 HA ASN 100 0.688 12.805 -9.112 751 1HB ASN 100 1HB ASN 100 2.986 14.708 -8.610 752 2HB ASN 100 2HB ASN 100 1.369 15.382 -8.644 753 1HD2 ASN 100 1HD2 ASN 100 2.291 15.785 -6.372 754 2HD2 ASN 100 2HD2 ASN 100 1.844 14.649 -5.143 755 HA PRO 101 HA PRO 101 -0.276 14.846 -12.872 756 1HB PRO 101 1HB PRO 101 -2.531 16.246 -12.226 757 2HB PRO 101 2HB PRO 101 -2.537 14.530 -12.579 758 1HG PRO 101 1HG PRO 101 -2.771 15.884 -9.962 759 2HG PRO 101 2HG PRO 101 -3.193 14.237 -10.387 760 1HD PRO 101 1HD PRO 101 -0.865 15.096 -8.948 761 2HD PRO 101 2HD PRO 101 -1.230 13.464 -9.474 Start of MODEL 9 1 H MET 1 H MET 1 -14.657 9.246 22.271 2 HA MET 1 HA MET 1 -14.377 6.406 21.742 3 1HB MET 1 1HB MET 1 -16.421 6.217 23.172 4 2HB MET 1 2HB MET 1 -15.176 7.129 24.001 5 1HG MET 1 1HG MET 1 -16.458 9.016 24.064 6 2HG MET 1 2HG MET 1 -16.859 8.896 22.363 7 1HE MET 1 1HE MET 1 -18.939 10.077 23.755 8 2HE MET 1 2HE MET 1 -19.478 9.306 22.244 9 3HE MET 1 3HE MET 1 -20.418 9.089 23.739 10 H GLN 2 H GLN 2 -14.461 7.226 19.330 11 HA GLN 2 HA GLN 2 -17.155 6.748 18.488 12 1HB GLN 2 1HB GLN 2 -16.607 9.361 18.768 13 2HB GLN 2 2HB GLN 2 -15.852 9.140 17.203 14 1HG GLN 2 1HG GLN 2 -17.862 9.021 16.145 15 2HG GLN 2 2HG GLN 2 -18.464 7.819 17.270 16 1HE2 GLN 2 1HE2 GLN 2 -20.478 8.705 17.434 17 2HE2 GLN 2 2HE2 GLN 2 -20.824 10.190 18.256 18 H GLU 3 H GLU 3 -17.113 6.823 15.859 19 HA GLU 3 HA GLU 3 -15.128 4.938 15.189 20 1HB GLU 3 1HB GLU 3 -17.638 5.856 14.132 21 2HB GLU 3 2HB GLU 3 -16.455 5.972 12.844 22 1HG GLU 3 1HG GLU 3 -15.763 3.592 13.299 23 2HG GLU 3 2HG GLU 3 -17.000 3.485 14.535 24 H GLN 4 H GLN 4 -13.154 5.228 14.203 25 HA GLN 4 HA GLN 4 -12.407 7.959 13.698 26 1HB GLN 4 1HB GLN 4 -11.077 5.624 14.649 27 2HB GLN 4 2HB GLN 4 -10.312 6.025 13.125 28 1HG GLN 4 1HG GLN 4 -9.109 7.277 14.771 29 2HG GLN 4 2HG GLN 4 -10.141 8.448 13.974 30 1HE2 GLN 4 1HE2 GLN 4 -10.696 9.879 15.438 31 2HE2 GLN 4 2HE2 GLN 4 -11.376 9.564 16.999 32 H ALA 5 H ALA 5 -13.528 8.466 11.745 33 HA ALA 5 HA ALA 5 -13.620 6.827 9.510 34 1HB ALA 5 1HB ALA 5 -14.848 8.548 8.726 35 2HB ALA 5 2HB ALA 5 -14.556 9.340 10.293 36 3HB ALA 5 3HB ALA 5 -13.496 9.691 8.907 37 H GLN 6 H GLN 6 -11.554 5.829 9.208 38 HA GLN 6 HA GLN 6 -9.460 7.692 8.429 39 1HB GLN 6 1HB GLN 6 -7.876 5.914 8.872 40 2HB GLN 6 2HB GLN 6 -8.961 6.020 10.244 41 1HG GLN 6 1HG GLN 6 -10.062 4.202 8.240 42 2HG GLN 6 2HG GLN 6 -8.424 3.728 8.642 43 1HE2 GLN 6 1HE2 GLN 6 -8.150 4.444 11.233 44 2HE2 GLN 6 2HE2 GLN 6 -9.228 3.555 12.257 45 H GLN 7 H GLN 7 -11.338 7.652 6.514 46 HA GLN 7 HA GLN 7 -10.313 5.720 4.581 47 1HB GLN 7 1HB GLN 7 -12.671 5.284 5.090 48 2HB GLN 7 2HB GLN 7 -13.089 6.961 4.799 49 1HG GLN 7 1HG GLN 7 -12.022 6.532 2.406 50 2HG GLN 7 2HG GLN 7 -12.271 4.841 2.793 51 1HE2 GLN 7 1HE2 GLN 7 -13.942 4.215 1.640 52 2HE2 GLN 7 2HE2 GLN 7 -15.505 4.960 1.585 53 H PHE 8 H PHE 8 -8.712 6.904 3.542 54 HA PHE 8 HA PHE 8 -9.470 9.583 2.633 55 1HB PHE 8 1HB PHE 8 -6.726 8.211 2.625 56 2HB PHE 8 2HB PHE 8 -7.036 9.934 2.545 57 HD1 PHE 8 1HD PHE 8 -9.255 9.658 4.818 58 HD2 PHE 8 2HD PHE 8 -5.170 8.560 4.479 59 HE1 PHE 8 1HE PHE 8 -9.004 9.820 7.310 60 HE2 PHE 8 2HE PHE 8 -4.919 8.722 6.971 61 HZ PHE 8 HZ PHE 8 -6.840 9.350 8.357 62 H ILE 9 H ILE 9 -8.694 10.233 0.427 63 HA ILE 9 HA ILE 9 -9.326 8.126 -1.426 64 HB ILE 9 HB ILE 9 -8.658 11.043 -1.838 65 1HG1 ILE 9 1HG1 ILE 9 -10.661 10.816 -0.513 66 2HG1 ILE 9 2HG1 ILE 9 -11.093 11.315 -2.137 67 1HG2 ILE 9 1HG2 ILE 9 -9.064 10.834 -4.066 68 2HG2 ILE 9 2HG2 ILE 9 -8.401 9.212 -3.755 69 3HG2 ILE 9 3HG2 ILE 9 -10.162 9.449 -3.857 70 1HD1 ILE 9 1HD1 ILE 9 -11.101 8.497 -2.266 71 2HD1 ILE 9 2HD1 ILE 9 -11.838 8.881 -0.692 72 3HD1 ILE 9 3HD1 ILE 9 -12.527 9.559 -2.187 73 H PHE 10 H PHE 10 -7.821 6.696 -2.087 74 HA PHE 10 HA PHE 10 -5.314 7.687 -3.048 75 1HB PHE 10 1HB PHE 10 -5.266 7.244 -0.416 76 2HB PHE 10 2HB PHE 10 -5.334 5.549 -0.855 77 HD1 PHE 10 1HD PHE 10 -3.410 8.547 -2.008 78 HD2 PHE 10 2HD PHE 10 -3.302 4.486 -0.782 79 HE1 PHE 10 1HE PHE 10 -0.918 8.524 -2.303 80 HE2 PHE 10 2HE PHE 10 -0.810 4.463 -1.077 81 HZ PHE 10 HZ PHE 10 0.353 6.482 -1.833 82 H LYS 11 H LYS 11 -4.681 6.455 -4.774 83 HA LYS 11 HA LYS 11 -5.645 3.695 -4.864 84 1HB LYS 11 1HB LYS 11 -5.991 5.759 -7.057 85 2HB LYS 11 2HB LYS 11 -6.213 4.036 -7.281 86 1HG LYS 11 1HG LYS 11 -8.247 4.040 -6.237 87 2HG LYS 11 2HG LYS 11 -7.673 5.048 -4.923 88 1HD LYS 11 1HD LYS 11 -8.188 6.219 -7.683 89 2HD LYS 11 2HD LYS 11 -9.492 6.024 -6.529 90 1HE LYS 11 1HE LYS 11 -8.221 7.394 -4.860 91 2HE LYS 11 2HE LYS 11 -6.918 7.590 -6.015 92 1HZ LYS 11 1HZ LYS 11 -8.208 8.916 -7.338 93 2HZ LYS 11 2HZ LYS 11 -9.629 8.342 -6.774 94 3HZ LYS 11 3HZ LYS 11 -8.736 9.358 -5.857 95 H VAL 12 H VAL 12 -4.031 2.291 -5.331 96 HA VAL 12 HA VAL 12 -1.551 3.477 -6.354 97 HB VAL 12 HB VAL 12 -1.717 2.309 -4.073 98 1HG1 VAL 12 1HG1 VAL 12 -1.183 -0.294 -5.331 99 2HG1 VAL 12 2HG1 VAL 12 -2.168 0.113 -3.906 100 3HG1 VAL 12 3HG1 VAL 12 -2.857 0.273 -5.539 101 1HG2 VAL 12 1HG2 VAL 12 0.336 1.830 -6.211 102 2HG2 VAL 12 2HG2 VAL 12 0.445 2.794 -4.718 103 3HG2 VAL 12 3HG2 VAL 12 0.511 1.017 -4.637 104 H THR 13 H THR 13 -0.390 2.392 -8.053 105 HA THR 13 HA THR 13 -2.074 1.360 -10.063 106 HB THR 13 HB THR 13 0.136 1.051 -11.236 107 HG1 THR 13 1HG THR 13 1.798 0.704 -9.820 108 1HG2 THR 13 1HG2 THR 13 -0.015 3.596 -9.534 109 2HG2 THR 13 2HG2 THR 13 1.025 3.380 -10.962 110 3HG2 THR 13 3HG2 THR 13 -0.745 3.383 -11.143 111 H ASP 14 H ASP 14 -2.362 -0.701 -10.917 112 HA ASP 14 HA ASP 14 -2.641 -2.712 -9.153 113 1HB ASP 14 1HB ASP 14 -2.421 -2.482 -12.116 114 2HB ASP 14 2HB ASP 14 -2.099 -4.089 -11.496 115 H LYS 15 H LYS 15 0.232 -1.687 -11.022 116 HA LYS 15 HA LYS 15 1.758 -4.016 -10.650 117 1HB LYS 15 1HB LYS 15 1.993 -1.666 -12.083 118 2HB LYS 15 2HB LYS 15 3.247 -1.492 -10.872 119 1HG LYS 15 1HG LYS 15 4.206 -2.643 -12.792 120 2HG LYS 15 2HG LYS 15 4.106 -3.787 -11.468 121 1HD LYS 15 1HD LYS 15 2.422 -5.035 -12.476 122 2HD LYS 15 2HD LYS 15 1.720 -3.647 -13.283 123 1HE LYS 15 1HE LYS 15 3.849 -3.612 -14.763 124 2HE LYS 15 2HE LYS 15 4.225 -5.185 -14.090 125 1HZ LYS 15 1HZ LYS 15 1.813 -5.694 -14.793 126 2HZ LYS 15 2HZ LYS 15 2.007 -4.429 -15.808 127 3HZ LYS 15 3HZ LYS 15 3.002 -5.719 -15.912 128 H ALA 16 H ALA 16 1.387 -0.963 -8.766 129 HA ALA 16 HA ALA 16 3.395 -1.403 -6.926 130 1HB ALA 16 1HB ALA 16 2.187 0.192 -5.550 131 2HB ALA 16 2HB ALA 16 2.032 0.681 -7.255 132 3HB ALA 16 3HB ALA 16 0.675 -0.128 -6.434 133 H VAL 17 H VAL 17 -0.035 -2.546 -6.964 134 HA VAL 17 HA VAL 17 0.236 -3.872 -4.459 135 HB VAL 17 HB VAL 17 -1.807 -3.506 -6.568 136 1HG1 VAL 17 1HG1 VAL 17 -2.010 -5.847 -6.562 137 2HG1 VAL 17 2HG1 VAL 17 -1.692 -5.963 -4.814 138 3HG1 VAL 17 3HG1 VAL 17 -3.238 -5.299 -5.396 139 1HG2 VAL 17 1HG2 VAL 17 -3.015 -3.602 -4.067 140 2HG2 VAL 17 2HG2 VAL 17 -1.402 -2.929 -3.731 141 3HG2 VAL 17 3HG2 VAL 17 -2.465 -2.139 -4.920 142 H GLU 18 H GLU 18 0.194 -4.893 -7.935 143 HA GLU 18 HA GLU 18 0.456 -7.586 -7.426 144 1HB GLU 18 1HB GLU 18 -0.010 -6.236 -9.645 145 2HB GLU 18 2HB GLU 18 1.731 -6.274 -9.840 146 1HG GLU 18 1HG GLU 18 0.242 -8.840 -9.213 147 2HG GLU 18 2HG GLU 18 0.244 -8.222 -10.852 148 H GLU 19 H GLU 19 2.750 -4.959 -7.135 149 HA GLU 19 HA GLU 19 5.073 -6.471 -7.525 150 1HB GLU 19 1HB GLU 19 5.189 -4.070 -7.709 151 2HB GLU 19 2HB GLU 19 4.512 -3.839 -6.109 152 1HG GLU 19 1HG GLU 19 6.854 -3.487 -5.822 153 2HG GLU 19 2HG GLU 19 6.573 -5.098 -5.195 154 H ILE 20 H ILE 20 4.030 -4.943 -4.400 155 HA ILE 20 HA ILE 20 5.534 -6.515 -2.763 156 HB ILE 20 HB ILE 20 2.980 -5.000 -2.429 157 1HG1 ILE 20 1HG1 ILE 20 4.590 -3.861 -0.712 158 2HG1 ILE 20 2HG1 ILE 20 5.854 -4.697 -1.593 159 1HG2 ILE 20 1HG2 ILE 20 4.299 -6.424 -0.114 160 2HG2 ILE 20 2HG2 ILE 20 2.754 -5.541 -0.145 161 3HG2 ILE 20 3HG2 ILE 20 2.906 -7.098 -0.994 162 1HD1 ILE 20 1HD1 ILE 20 5.331 -3.582 -3.645 163 2HD1 ILE 20 2HD1 ILE 20 3.753 -3.033 -3.032 164 3HD1 ILE 20 3HD1 ILE 20 5.253 -2.317 -2.396 165 H LYS 21 H LYS 21 2.684 -7.375 -4.611 166 HA LYS 21 HA LYS 21 1.665 -9.439 -3.102 167 1HB LYS 21 1HB LYS 21 1.572 -8.546 -5.895 168 2HB LYS 21 2HB LYS 21 1.386 -10.280 -5.728 169 1HG LYS 21 1HG LYS 21 -0.369 -9.832 -3.921 170 2HG LYS 21 2HG LYS 21 -0.265 -8.130 -4.325 171 1HD LYS 21 1HD LYS 21 -1.139 -8.466 -6.521 172 2HD LYS 21 2HD LYS 21 -0.792 -10.184 -6.498 173 1HE LYS 21 1HE LYS 21 -2.483 -10.252 -4.466 174 2HE LYS 21 2HE LYS 21 -3.012 -8.691 -5.063 175 1HZ LYS 21 1HZ LYS 21 -2.776 -10.516 -7.182 176 2HZ LYS 21 2HZ LYS 21 -3.735 -11.144 -6.020 177 3HZ LYS 21 3HZ LYS 21 -4.094 -9.694 -6.679 178 H LYS 22 H LYS 22 4.541 -9.320 -5.243 179 HA LYS 22 HA LYS 22 4.994 -12.132 -5.034 180 1HB LYS 22 1HB LYS 22 6.391 -9.787 -6.266 181 2HB LYS 22 2HB LYS 22 7.314 -11.248 -5.978 182 1HG LYS 22 1HG LYS 22 5.582 -12.574 -7.224 183 2HG LYS 22 2HG LYS 22 4.686 -11.100 -7.532 184 1HD LYS 22 1HD LYS 22 7.067 -10.279 -8.496 185 2HD LYS 22 2HD LYS 22 7.319 -12.002 -8.692 186 1HE LYS 22 1HE LYS 22 4.685 -11.539 -9.648 187 2HE LYS 22 2HE LYS 22 5.628 -10.194 -10.260 188 1HZ LYS 22 1HZ LYS 22 7.165 -12.450 -10.586 189 2HZ LYS 22 2HZ LYS 22 5.666 -12.857 -11.092 190 3HZ LYS 22 3HZ LYS 22 6.431 -11.574 -11.752 191 H VAL 23 H VAL 23 6.231 -9.142 -3.451 192 HA VAL 23 HA VAL 23 8.218 -10.436 -1.955 193 HB VAL 23 HB VAL 23 6.883 -7.814 -2.067 194 1HG1 VAL 23 1HG1 VAL 23 6.471 -7.932 0.212 195 2HG1 VAL 23 2HG1 VAL 23 7.893 -8.956 0.526 196 3HG1 VAL 23 3HG1 VAL 23 8.103 -7.224 0.175 197 1HG2 VAL 23 1HG2 VAL 23 9.389 -8.906 -2.670 198 2HG2 VAL 23 2HG2 VAL 23 8.926 -7.188 -2.721 199 3HG2 VAL 23 3HG2 VAL 23 9.675 -7.865 -1.254 200 H ALA 24 H ALA 24 4.714 -9.882 -1.464 201 HA ALA 24 HA ALA 24 4.741 -10.728 1.247 202 1HB ALA 24 1HB ALA 24 2.381 -10.488 1.104 203 2HB ALA 24 2HB ALA 24 3.037 -9.241 0.017 204 3HB ALA 24 3HB ALA 24 2.378 -10.752 -0.656 205 H GLN 25 H GLN 25 4.221 -12.289 -1.951 206 HA GLN 25 HA GLN 25 3.339 -14.712 -0.884 207 1HB GLN 25 1HB GLN 25 3.785 -13.574 -3.462 208 2HB GLN 25 2HB GLN 25 4.710 -15.062 -3.422 209 1HG GLN 25 1HG GLN 25 2.274 -15.766 -2.198 210 2HG GLN 25 2HG GLN 25 1.788 -14.681 -3.485 211 1HE2 GLN 25 1HE2 GLN 25 1.284 -17.482 -3.284 212 2HE2 GLN 25 2HE2 GLN 25 2.016 -18.274 -4.639 213 H GLU 26 H GLU 26 6.564 -13.345 -1.615 214 HA GLU 26 HA GLU 26 7.910 -15.797 -1.321 215 1HB GLU 26 1HB GLU 26 8.565 -13.301 -2.290 216 2HB GLU 26 2HB GLU 26 9.420 -13.295 -0.760 217 1HG GLU 26 1HG GLU 26 9.799 -15.880 -2.020 218 2HG GLU 26 2HG GLU 26 10.162 -14.629 -3.192 219 H ASN 27 H ASN 27 6.260 -13.861 0.903 220 HA ASN 27 HA ASN 27 8.056 -14.676 3.047 221 1HB ASN 27 1HB ASN 27 6.244 -12.317 2.620 222 2HB ASN 27 2HB ASN 27 6.286 -12.949 4.255 223 1HD2 ASN 27 1HD2 ASN 27 7.854 -11.105 1.880 224 2HD2 ASN 27 2HD2 ASN 27 9.332 -10.753 2.711 225 H ASN 28 H ASN 28 5.603 -15.948 1.404 226 HA ASN 28 HA ASN 28 3.923 -17.267 1.777 227 1HB ASN 28 1HB ASN 28 5.821 -18.072 3.570 228 2HB ASN 28 2HB ASN 28 4.547 -17.658 4.700 229 1HD2 ASN 28 1HD2 ASN 28 4.321 -19.811 5.295 230 2HD2 ASN 28 2HD2 ASN 28 3.507 -20.981 4.310 231 H ILE 29 H ILE 29 3.564 -14.385 2.300 232 HA ILE 29 HA ILE 29 1.718 -14.376 4.567 233 HB ILE 29 HB ILE 29 3.122 -12.207 3.022 234 1HG1 ILE 29 1HG1 ILE 29 3.155 -12.950 5.962 235 2HG1 ILE 29 2HG1 ILE 29 4.382 -13.401 4.796 236 1HG2 ILE 29 1HG2 ILE 29 0.902 -11.372 3.331 237 2HG2 ILE 29 2HG2 ILE 29 0.865 -11.930 5.021 238 3HG2 ILE 29 3HG2 ILE 29 1.953 -10.604 4.545 239 1HD1 ILE 29 1HD1 ILE 29 4.164 -10.659 4.372 240 2HD1 ILE 29 2HD1 ILE 29 3.925 -10.806 6.130 241 3HD1 ILE 29 3HD1 ILE 29 5.403 -11.450 5.375 242 H GLU 30 H GLU 30 -0.466 -13.645 4.320 243 HA GLU 30 HA GLU 30 -1.336 -13.608 1.540 244 1HB GLU 30 1HB GLU 30 -1.948 -15.589 3.524 245 2HB GLU 30 2HB GLU 30 -3.418 -14.679 3.237 246 1HG GLU 30 1HG GLU 30 -3.190 -15.054 0.783 247 2HG GLU 30 2HG GLU 30 -1.692 -15.926 1.044 248 H ASN 31 H ASN 31 -0.840 -11.727 4.111 249 HA ASN 31 HA ASN 31 -3.094 -10.075 3.445 250 1HB ASN 31 1HB ASN 31 -3.190 -9.649 6.120 251 2HB ASN 31 2HB ASN 31 -4.184 -10.866 5.345 252 1HD2 ASN 31 1HD2 ASN 31 -4.086 -12.852 6.070 253 2HD2 ASN 31 2HD2 ASN 31 -2.833 -13.551 7.041 254 HA PRO 32 HA PRO 32 0.956 -8.037 4.231 255 1HB PRO 32 1HB PRO 32 1.371 -6.979 1.746 256 2HB PRO 32 2HB PRO 32 2.051 -8.509 2.261 257 1HG PRO 32 1HG PRO 32 -0.223 -8.012 0.439 258 2HG PRO 32 2HG PRO 32 0.730 -9.469 0.632 259 1HD PRO 32 1HD PRO 32 -1.910 -8.997 1.648 260 2HD PRO 32 2HD PRO 32 -0.912 -10.408 1.939 261 H ILE 33 H ILE 33 1.321 -5.967 4.939 262 HA ILE 33 HA ILE 33 -0.836 -4.126 4.176 263 HB ILE 33 HB ILE 33 0.254 -4.796 6.891 264 1HG1 ILE 33 1HG1 ILE 33 -2.589 -4.383 5.926 265 2HG1 ILE 33 2HG1 ILE 33 -1.784 -5.940 5.951 266 1HG2 ILE 33 1HG2 ILE 33 -0.433 -2.142 5.895 267 2HG2 ILE 33 2HG2 ILE 33 -1.433 -2.634 7.283 268 3HG2 ILE 33 3HG2 ILE 33 0.341 -2.634 7.420 269 1HD1 ILE 33 1HD1 ILE 33 -3.131 -5.627 7.999 270 2HD1 ILE 33 2HD1 ILE 33 -1.400 -5.712 8.406 271 3HD1 ILE 33 3HD1 ILE 33 -2.231 -4.138 8.377 272 H LEU 34 H LEU 34 0.282 -2.930 2.658 273 HA LEU 34 HA LEU 34 2.953 -2.025 3.362 274 1HB LEU 34 1HB LEU 34 1.454 -1.450 0.818 275 2HB LEU 34 2HB LEU 34 3.183 -1.402 1.103 276 HG LEU 34 HG LEU 34 2.801 -3.334 -0.180 277 1HD1 LEU 34 1HD1 LEU 34 3.894 -3.516 2.370 278 2HD1 LEU 34 2HD1 LEU 34 2.830 -4.937 2.246 279 3HD1 LEU 34 3HD1 LEU 34 4.103 -4.669 1.031 280 1HD2 LEU 34 1HD2 LEU 34 0.971 -4.643 -0.170 281 2HD2 LEU 34 2HD2 LEU 34 0.878 -4.691 1.607 282 3HD2 LEU 34 3HD2 LEU 34 0.245 -3.284 0.721 283 H ARG 35 H ARG 35 3.419 -0.005 4.100 284 HA ARG 35 HA ARG 35 1.140 1.795 4.229 285 1HB ARG 35 1HB ARG 35 1.892 1.338 6.457 286 2HB ARG 35 2HB ARG 35 3.583 1.406 5.999 287 1HG ARG 35 1HG ARG 35 3.639 3.746 5.986 288 2HG ARG 35 2HG ARG 35 1.940 3.896 5.583 289 1HD ARG 35 1HD ARG 35 1.484 4.236 7.781 290 2HD ARG 35 2HD ARG 35 1.997 2.594 8.117 291 HE ARG 35 HE ARG 35 3.540 5.037 8.591 292 1HH1 ARG 35 2HH2 ARG 35 3.741 1.561 8.087 293 2HH1 ARG 35 1HH2 ARG 35 5.276 1.406 8.876 294 1HH2 ARG 35 2HH1 ARG 35 5.565 4.835 9.631 295 2HH2 ARG 35 1HH1 ARG 35 6.320 3.281 9.760 296 H ILE 36 H ILE 36 1.300 3.862 3.302 297 HA ILE 36 HA ILE 36 3.668 4.313 1.692 298 HB ILE 36 HB ILE 36 0.925 5.548 1.808 299 1HG1 ILE 36 1HG1 ILE 36 1.155 4.757 -0.699 300 2HG1 ILE 36 2HG1 ILE 36 2.384 3.692 -0.045 301 1HG2 ILE 36 1HG2 ILE 36 3.390 6.762 0.875 302 2HG2 ILE 36 2HG2 ILE 36 2.214 6.567 -0.446 303 3HG2 ILE 36 3HG2 ILE 36 1.758 7.455 1.027 304 1HD1 ILE 36 1HD1 ILE 36 -0.438 3.902 1.096 305 2HD1 ILE 36 2HD1 ILE 36 0.067 2.678 -0.093 306 3HD1 ILE 36 3HD1 ILE 36 0.804 2.702 1.527 307 H ARG 37 H ARG 37 5.376 5.250 2.683 308 HA ARG 37 HA ARG 37 4.720 7.452 4.472 309 1HB ARG 37 1HB ARG 37 5.836 5.204 5.393 310 2HB ARG 37 2HB ARG 37 7.307 5.890 4.732 311 1HG ARG 37 1HG ARG 37 6.099 8.038 6.121 312 2HG ARG 37 2HG ARG 37 5.829 6.649 7.155 313 1HD ARG 37 1HD ARG 37 8.098 6.326 7.564 314 2HD ARG 37 2HD ARG 37 8.581 6.904 5.982 315 HE ARG 37 HE ARG 37 7.464 9.112 7.394 316 1HH1 ARG 37 2HH2 ARG 37 10.267 6.991 7.566 317 2HH1 ARG 37 1HH2 ARG 37 11.276 8.175 8.327 318 1HH2 ARG 37 2HH1 ARG 37 8.795 10.674 8.399 319 2HH2 ARG 37 1HH1 ARG 37 10.433 10.284 8.805 320 H VAL 38 H VAL 38 6.427 9.202 4.548 321 HA VAL 38 HA VAL 38 7.413 9.682 1.890 322 HB VAL 38 HB VAL 38 7.637 11.316 4.426 323 1HG1 VAL 38 1HG1 VAL 38 8.663 12.924 3.242 324 2HG1 VAL 38 2HG1 VAL 38 8.989 11.654 2.038 325 3HG1 VAL 38 3HG1 VAL 38 7.574 12.718 1.849 326 1HG2 VAL 38 1HG2 VAL 38 5.695 12.090 2.325 327 2HG2 VAL 38 2HG2 VAL 38 5.293 10.618 3.242 328 3HG2 VAL 38 3HG2 VAL 38 5.560 12.156 4.099 329 H VAL 39 H VAL 39 9.518 9.558 1.181 330 HA VAL 39 HA VAL 39 11.509 8.845 3.220 331 HB VAL 39 HB VAL 39 11.503 7.751 0.417 332 1HG1 VAL 39 1HG1 VAL 39 12.928 6.017 1.399 333 2HG1 VAL 39 2HG1 VAL 39 13.601 7.638 1.701 334 3HG1 VAL 39 3HG1 VAL 39 12.756 6.768 3.004 335 1HG2 VAL 39 1HG2 VAL 39 10.197 6.490 2.853 336 2HG2 VAL 39 2HG2 VAL 39 9.362 7.097 1.403 337 3HG2 VAL 39 3HG2 VAL 39 10.451 5.695 1.281 338 HA PRO 40 HA PRO 40 12.956 12.482 1.047 339 1HB PRO 40 1HB PRO 40 13.971 13.776 3.230 340 2HB PRO 40 2HB PRO 40 12.338 14.021 2.644 341 1HG PRO 40 1HG PRO 40 13.251 12.499 5.008 342 2HG PRO 40 2HG PRO 40 11.648 13.107 4.646 343 1HD PRO 40 1HD PRO 40 12.548 10.395 4.407 344 2HD PRO 40 2HD PRO 40 10.982 11.025 3.936 345 H GLY 41 H GLY 41 14.282 9.842 2.371 346 1HA GLY 41 1HA GLY 41 17.044 10.789 2.085 347 2HA GLY 41 2HA GLY 41 16.510 9.286 2.810 348 H GLY 42 H GLY 42 16.252 11.009 -0.389 349 1HA GLY 42 1HA GLY 42 16.991 8.455 -1.683 350 2HA GLY 42 2HA GLY 42 15.663 9.439 -2.266 351 H CYS 43 H CYS 43 19.201 9.230 -1.860 352 HA CYS 43 HA CYS 43 19.948 11.705 -2.742 353 1HB CYS 43 1HB CYS 43 21.191 9.032 -2.611 354 2HB CYS 43 2HB CYS 43 21.877 10.078 -3.838 355 HG CYS 43 HG CYS 43 23.198 11.401 -2.396 356 H SER 44 H SER 44 18.538 8.942 -4.463 357 HA SER 44 HA SER 44 19.187 10.100 -7.016 358 1HB SER 44 1HB SER 44 18.307 7.479 -6.003 359 2HB SER 44 2HB SER 44 17.420 7.956 -7.438 360 HG SER 44 HG SER 44 20.279 7.675 -7.130 361 H GLY 45 H GLY 45 16.485 9.755 -4.722 362 1HA GLY 45 1HA GLY 45 15.022 11.895 -5.636 363 2HA GLY 45 2HA GLY 45 14.421 10.521 -6.543 364 H PHE 46 H PHE 46 13.383 12.293 -4.166 365 HA PHE 46 HA PHE 46 13.054 10.323 -2.092 366 1HB PHE 46 1HB PHE 46 11.656 12.268 -1.143 367 2HB PHE 46 2HB PHE 46 13.315 12.698 -1.509 368 HD1 PHE 46 1HD PHE 46 13.838 14.224 -3.305 369 HD2 PHE 46 2HD PHE 46 9.822 13.078 -2.555 370 HE1 PHE 46 1HE PHE 46 13.030 16.096 -4.769 371 HE2 PHE 46 2HE PHE 46 9.014 14.950 -4.019 372 HZ PHE 46 HZ PHE 46 10.628 16.437 -5.108 373 H GLN 47 H GLN 47 11.598 8.694 -2.345 374 HA GLN 47 HA GLN 47 8.989 9.472 -3.353 375 1HB GLN 47 1HB GLN 47 10.550 7.016 -4.269 376 2HB GLN 47 2HB GLN 47 8.871 7.328 -4.660 377 1HG GLN 47 1HG GLN 47 11.135 9.259 -5.343 378 2HG GLN 47 2HG GLN 47 10.550 8.033 -6.451 379 1HE2 GLN 47 1HE2 GLN 47 10.316 10.246 -7.573 380 2HE2 GLN 47 2HE2 GLN 47 8.750 10.984 -7.497 381 H TYR 48 H TYR 48 7.281 7.751 -2.795 382 HA TYR 48 HA TYR 48 7.741 6.940 -0.063 383 1HB TYR 48 1HB TYR 48 5.354 6.482 -1.947 384 2HB TYR 48 2HB TYR 48 5.295 6.553 -0.197 385 HD1 TYR 48 1HD TYR 48 5.577 8.546 -3.286 386 HD2 TYR 48 2HD TYR 48 5.264 8.681 0.979 387 HE1 TYR 48 1HE TYR 48 5.031 11.026 -3.398 388 HE2 TYR 48 2HE TYR 48 4.720 11.161 0.853 389 HH TYR 48 HH TYR 48 4.056 12.788 -0.525 390 H ALA 49 H ALA 49 8.911 5.081 0.216 391 HA ALA 49 HA ALA 49 8.668 2.940 -1.689 392 1HB ALA 49 1HB ALA 49 10.472 3.794 0.441 393 2HB ALA 49 2HB ALA 49 10.099 2.058 0.560 394 3HB ALA 49 3HB ALA 49 10.781 2.720 -0.944 395 H MET 50 H MET 50 8.104 0.693 -0.995 396 HA MET 50 HA MET 50 5.788 0.851 0.727 397 1HB MET 50 1HB MET 50 6.648 -0.701 -1.619 398 2HB MET 50 2HB MET 50 6.110 -1.783 -0.350 399 1HG MET 50 1HG MET 50 3.967 -1.334 -0.955 400 2HG MET 50 2HG MET 50 4.188 0.301 -0.365 401 1HE MET 50 1HE MET 50 2.372 -0.863 -2.296 402 2HE MET 50 2HE MET 50 2.218 0.487 -3.446 403 3HE MET 50 3HE MET 50 2.880 -1.073 -3.989 404 H GLY 51 H GLY 51 5.404 -1.437 1.958 405 1HA GLY 51 1HA GLY 51 7.600 -2.876 2.917 406 2HA GLY 51 2HA GLY 51 7.332 -1.533 4.009 407 H PHE 52 H PHE 52 6.469 -4.733 3.303 408 HA PHE 52 HA PHE 52 3.746 -4.696 4.028 409 1HB PHE 52 1HB PHE 52 4.045 -7.090 3.914 410 2HB PHE 52 2HB PHE 52 5.247 -6.473 2.798 411 HD1 PHE 52 1HD PHE 52 4.732 -7.931 6.135 412 HD2 PHE 52 2HD PHE 52 7.590 -6.712 3.245 413 HE1 PHE 52 1HE PHE 52 6.529 -9.144 7.400 414 HE2 PHE 52 2HE PHE 52 9.387 -7.925 4.510 415 HZ PHE 52 HZ PHE 52 8.835 -9.127 6.573 416 H ASP 53 H ASP 53 2.792 -4.523 6.003 417 HA ASP 53 HA ASP 53 4.536 -5.000 8.292 418 1HB ASP 53 1HB ASP 53 2.686 -2.771 7.612 419 2HB ASP 53 2HB ASP 53 2.487 -3.380 9.243 420 H ASP 54 H ASP 54 2.913 -5.290 10.379 421 HA ASP 54 HA ASP 54 0.527 -6.693 9.580 422 1HB ASP 54 1HB ASP 54 1.173 -8.607 11.161 423 2HB ASP 54 2HB ASP 54 2.026 -8.555 9.632 424 H THR 55 H THR 55 0.089 -4.405 10.700 425 HA THR 55 HA THR 55 -0.942 -4.866 13.252 426 HB THR 55 HB THR 55 1.487 -4.869 13.898 427 HG1 THR 55 1HG THR 55 -0.194 -3.948 15.303 428 1HG2 THR 55 1HG2 THR 55 2.558 -2.517 13.892 429 2HG2 THR 55 2HG2 THR 55 2.533 -3.352 12.320 430 3HG2 THR 55 3HG2 THR 55 1.344 -2.074 12.668 431 H VAL 56 H VAL 56 -2.221 -3.120 14.008 432 HA VAL 56 HA VAL 56 -2.711 -1.182 11.884 433 HB VAL 56 HB VAL 56 -4.297 -2.665 13.796 434 1HG1 VAL 56 1HG1 VAL 56 -4.835 0.321 13.646 435 2HG1 VAL 56 2HG1 VAL 56 -5.879 -0.900 14.415 436 3HG1 VAL 56 3HG1 VAL 56 -4.262 -0.565 15.080 437 1HG2 VAL 56 1HG2 VAL 56 -5.106 -0.911 11.452 438 2HG2 VAL 56 2HG2 VAL 56 -4.605 -2.615 11.333 439 3HG2 VAL 56 3HG2 VAL 56 -6.085 -2.183 12.223 440 H GLU 57 H GLU 57 -3.061 1.109 12.452 441 HA GLU 57 HA GLU 57 -1.343 1.813 14.697 442 1HB GLU 57 1HB GLU 57 -2.058 3.726 12.465 443 2HB GLU 57 2HB GLU 57 -0.648 3.734 13.506 444 1HG GLU 57 1HG GLU 57 -1.231 1.589 11.409 445 2HG GLU 57 2HG GLU 57 -0.157 2.951 11.158 446 H GLU 58 H GLU 58 -1.933 4.151 15.593 447 HA GLU 58 HA GLU 58 -4.683 3.936 16.360 448 1HB GLU 58 1HB GLU 58 -2.512 4.570 17.794 449 2HB GLU 58 2HB GLU 58 -2.903 6.194 17.263 450 1HG GLU 58 1HG GLU 58 -5.322 5.710 18.076 451 2HG GLU 58 2HG GLU 58 -4.661 4.291 18.865 452 H GLY 59 H GLY 59 -4.382 4.528 13.591 453 1HA GLY 59 1HA GLY 59 -6.173 6.320 12.936 454 2HA GLY 59 2HA GLY 59 -4.860 7.408 13.341 455 H ASP 60 H ASP 60 -5.212 4.247 11.561 456 HA ASP 60 HA ASP 60 -3.552 5.456 9.492 457 1HB ASP 60 1HB ASP 60 -3.240 3.029 10.923 458 2HB ASP 60 2HB ASP 60 -3.833 2.536 9.349 459 H HIS 61 H HIS 61 -4.367 5.359 7.329 460 HA HIS 61 HA HIS 61 -7.132 5.011 7.047 461 1HB HIS 61 1HB HIS 61 -5.919 6.588 5.690 462 2HB HIS 61 2HB HIS 61 -4.897 5.327 5.031 463 HD1 HIS 61 1HD HIS 61 -8.396 4.221 5.226 464 HD2 HIS 61 2HD HIS 61 -6.018 6.344 2.499 465 HE1 HIS 61 1HE HIS 61 -9.655 4.194 3.007 466 H VAL 62 H VAL 62 -8.308 3.180 6.804 467 HA VAL 62 HA VAL 62 -6.841 0.735 6.194 468 HB VAL 62 HB VAL 62 -9.002 1.480 7.912 469 1HG1 VAL 62 1HG1 VAL 62 -10.638 0.867 6.332 470 2HG1 VAL 62 2HG1 VAL 62 -9.694 -0.530 5.762 471 3HG1 VAL 62 3HG1 VAL 62 -10.456 -0.568 7.370 472 1HG2 VAL 62 1HG2 VAL 62 -8.191 -0.231 9.137 473 2HG2 VAL 62 2HG2 VAL 62 -8.236 -1.368 7.768 474 3HG2 VAL 62 3HG2 VAL 62 -6.872 -0.237 7.942 475 H PHE 63 H PHE 63 -6.589 0.462 4.017 476 HA PHE 63 HA PHE 63 -9.007 0.853 2.397 477 1HB PHE 63 1HB PHE 63 -6.286 1.858 2.240 478 2HB PHE 63 2HB PHE 63 -6.489 0.736 0.910 479 HD1 PHE 63 1HD PHE 63 -6.098 3.820 0.891 480 HD2 PHE 63 2HD PHE 63 -9.512 1.323 0.544 481 HE1 PHE 63 1HE PHE 63 -7.267 5.603 -0.434 482 HE2 PHE 63 2HE PHE 63 -10.681 3.107 -0.781 483 HZ PHE 63 HZ PHE 63 -9.544 5.225 -1.253 484 H GLU 64 H GLU 64 -9.900 -1.093 1.896 485 HA GLU 64 HA GLU 64 -8.275 -3.424 1.949 486 1HB GLU 64 1HB GLU 64 -11.193 -3.050 1.143 487 2HB GLU 64 2HB GLU 64 -10.412 -4.598 1.395 488 1HG GLU 64 1HG GLU 64 -10.100 -4.188 3.744 489 2HG GLU 64 2HG GLU 64 -10.418 -2.473 3.573 490 H TYR 65 H TYR 65 -7.204 -4.347 0.246 491 HA TYR 65 HA TYR 65 -7.897 -3.340 -2.429 492 1HB TYR 65 1HB TYR 65 -5.421 -3.989 -0.845 493 2HB TYR 65 2HB TYR 65 -5.376 -4.576 -2.496 494 HD1 TYR 65 1HD TYR 65 -5.479 -1.573 -0.365 495 HD2 TYR 65 2HD TYR 65 -5.252 -3.034 -4.380 496 HE1 TYR 65 1HE TYR 65 -4.781 0.734 -1.174 497 HE2 TYR 65 2HE TYR 65 -4.556 -0.722 -5.175 498 HH TYR 65 HH TYR 65 -3.374 1.561 -3.257 499 H ASP 66 H ASP 66 -6.453 -5.243 -3.928 500 HA ASP 66 HA ASP 66 -8.345 -7.278 -4.026 501 1HB ASP 66 1HB ASP 66 -6.737 -6.352 -5.864 502 2HB ASP 66 2HB ASP 66 -5.536 -7.435 -5.189 503 H GLY 67 H GLY 67 -8.064 -7.865 -1.588 504 1HA GLY 67 1HA GLY 67 -7.575 -9.670 -0.263 505 2HA GLY 67 2HA GLY 67 -6.342 -10.193 -1.394 506 H VAL 68 H VAL 68 -5.322 -7.219 -1.396 507 HA VAL 68 HA VAL 68 -3.634 -7.604 0.953 508 HB VAL 68 HB VAL 68 -3.309 -5.696 -1.368 509 1HG1 VAL 68 1HG1 VAL 68 -1.570 -6.547 0.939 510 2HG1 VAL 68 2HG1 VAL 68 -0.836 -6.006 -0.589 511 3HG1 VAL 68 3HG1 VAL 68 -1.911 -4.914 0.318 512 1HG2 VAL 68 1HG2 VAL 68 -3.096 -7.623 -2.560 513 2HG2 VAL 68 2HG2 VAL 68 -1.458 -7.589 -1.863 514 3HG2 VAL 68 3HG2 VAL 68 -2.719 -8.604 -1.123 515 H LYS 69 H LYS 69 -2.905 -5.381 1.976 516 HA LYS 69 HA LYS 69 -5.180 -3.555 2.090 517 1HB LYS 69 1HB LYS 69 -5.561 -5.141 3.900 518 2HB LYS 69 2HB LYS 69 -3.930 -4.910 4.498 519 1HG LYS 69 1HG LYS 69 -4.531 -2.388 4.699 520 2HG LYS 69 2HG LYS 69 -6.196 -2.875 4.449 521 1HD LYS 69 1HD LYS 69 -6.174 -4.278 6.440 522 2HD LYS 69 2HD LYS 69 -4.439 -4.108 6.617 523 1HE LYS 69 1HE LYS 69 -5.562 -1.453 6.530 524 2HE LYS 69 2HE LYS 69 -6.524 -2.393 7.653 525 1HZ LYS 69 1HZ LYS 69 -4.574 -1.358 8.660 526 2HZ LYS 69 2HZ LYS 69 -4.556 -2.983 8.825 527 3HZ LYS 69 3HZ LYS 69 -3.590 -2.263 7.723 528 H VAL 70 H VAL 70 -4.605 -1.401 2.774 529 HA VAL 70 HA VAL 70 -1.712 -0.949 2.914 530 HB VAL 70 HB VAL 70 -3.620 0.754 1.310 531 1HG1 VAL 70 1HG1 VAL 70 -1.373 1.637 2.241 532 2HG1 VAL 70 2HG1 VAL 70 -0.620 0.586 1.017 533 3HG1 VAL 70 3HG1 VAL 70 -1.729 1.884 0.515 534 1HG2 VAL 70 1HG2 VAL 70 -2.800 -0.311 -0.710 535 2HG2 VAL 70 2HG2 VAL 70 -1.741 -1.380 0.242 536 3HG2 VAL 70 3HG2 VAL 70 -3.510 -1.542 0.362 537 H VAL 71 H VAL 71 -1.112 1.012 4.067 538 HA VAL 71 HA VAL 71 -3.280 2.338 5.479 539 HB VAL 71 HB VAL 71 -2.491 1.867 7.627 540 1HG1 VAL 71 1HG1 VAL 71 -2.434 -0.642 7.741 541 2HG1 VAL 71 2HG1 VAL 71 -3.780 0.022 6.785 542 3HG1 VAL 71 3HG1 VAL 71 -2.359 -0.667 5.963 543 1HG2 VAL 71 1HG2 VAL 71 -0.398 0.474 8.003 544 2HG2 VAL 71 2HG2 VAL 71 -0.007 0.761 6.291 545 3HG2 VAL 71 3HG2 VAL 71 -0.138 2.134 7.416 546 H ILE 72 H ILE 72 -2.932 4.435 4.959 547 HA ILE 72 HA ILE 72 -0.181 5.295 4.551 548 HB ILE 72 HB ILE 72 -2.723 6.842 4.068 549 1HG1 ILE 72 1HG1 ILE 72 -1.540 5.763 1.665 550 2HG1 ILE 72 2HG1 ILE 72 -1.931 4.458 2.767 551 1HG2 ILE 72 1HG2 ILE 72 -0.775 8.242 4.132 552 2HG2 ILE 72 2HG2 ILE 72 0.118 7.136 3.060 553 3HG2 ILE 72 3HG2 ILE 72 -1.277 8.048 2.435 554 1HD1 ILE 72 1HD1 ILE 72 -4.192 4.799 2.589 555 2HD1 ILE 72 2HD1 ILE 72 -4.022 6.571 2.563 556 3HD1 ILE 72 3HD1 ILE 72 -3.746 5.628 1.078 557 H ASP 73 H ASP 73 0.543 7.378 5.528 558 HA ASP 73 HA ASP 73 -0.220 7.355 8.286 559 1HB ASP 73 1HB ASP 73 1.753 9.234 6.924 560 2HB ASP 73 2HB ASP 73 1.702 8.799 8.620 561 HA PRO 74 HA PRO 74 -2.588 11.037 8.017 562 1HB PRO 74 1HB PRO 74 -2.166 12.241 10.434 563 2HB PRO 74 2HB PRO 74 -3.266 10.895 10.213 564 1HG PRO 74 1HG PRO 74 -0.577 10.908 11.439 565 2HG PRO 74 2HG PRO 74 -1.844 9.706 11.585 566 1HD PRO 74 1HD PRO 74 0.522 9.519 9.975 567 2HD PRO 74 2HD PRO 74 -0.800 8.370 10.032 568 H PHE 75 H PHE 75 0.778 11.339 8.581 569 HA PHE 75 HA PHE 75 0.705 14.171 7.992 570 1HB PHE 75 1HB PHE 75 2.671 12.023 8.845 571 2HB PHE 75 2HB PHE 75 3.347 13.422 8.036 572 HD1 PHE 75 1HD PHE 75 3.724 15.414 9.215 573 HD2 PHE 75 2HD PHE 75 1.255 12.422 10.934 574 HE1 PHE 75 1HE PHE 75 3.702 16.678 11.383 575 HE2 PHE 75 2HE PHE 75 1.232 13.686 13.102 576 HZ PHE 75 HZ PHE 75 2.456 15.799 13.301 577 H SER 76 H SER 76 1.132 11.090 6.353 578 HA SER 76 HA SER 76 2.489 12.340 4.149 579 1HB SER 76 1HB SER 76 3.143 10.062 4.851 580 2HB SER 76 2HB SER 76 1.512 9.482 4.579 581 HG SER 76 HG SER 76 2.710 10.789 2.376 582 H MET 77 H MET 77 -0.737 11.692 5.251 583 HA MET 77 HA MET 77 -2.052 11.166 2.910 584 1HB MET 77 1HB MET 77 -2.686 11.734 5.599 585 2HB MET 77 2HB MET 77 -3.464 13.043 4.732 586 1HG MET 77 1HG MET 77 -3.800 10.142 3.862 587 2HG MET 77 2HG MET 77 -4.832 10.855 5.086 588 1HE MET 77 1HE MET 77 -4.095 11.313 0.904 589 2HE MET 77 2HE MET 77 -4.317 9.876 1.930 590 3HE MET 77 3HE MET 77 -5.692 10.535 1.011 591 HA PRO 78 HA PRO 78 -2.332 15.868 2.306 592 1HB PRO 78 1HB PRO 78 -0.748 17.523 3.796 593 2HB PRO 78 2HB PRO 78 -2.414 17.166 4.206 594 1HG PRO 78 1HG PRO 78 0.062 16.152 5.463 595 2HG PRO 78 2HG PRO 78 -1.571 16.156 6.100 596 1HD PRO 78 1HD PRO 78 -0.163 13.911 5.003 597 2HD PRO 78 2HD PRO 78 -1.833 13.943 5.533 598 H TYR 79 H TYR 79 0.230 13.897 2.289 599 HA TYR 79 HA TYR 79 1.800 15.735 0.622 600 1HB TYR 79 1HB TYR 79 2.470 14.144 2.783 601 2HB TYR 79 2HB TYR 79 2.681 12.969 1.501 602 HD1 TYR 79 1HD TYR 79 3.563 15.295 -0.522 603 HD2 TYR 79 2HD TYR 79 4.863 14.000 3.343 604 HE1 TYR 79 1HE TYR 79 5.885 16.221 -0.984 605 HE2 TYR 79 2HE TYR 79 7.181 14.931 2.868 606 HH TYR 79 HH TYR 79 7.821 16.746 -0.094 607 H VAL 80 H VAL 80 -0.207 12.847 0.635 608 HA VAL 80 HA VAL 80 0.338 12.573 -2.227 609 HB VAL 80 HB VAL 80 0.269 10.135 -1.998 610 1HG1 VAL 80 1HG1 VAL 80 2.478 10.383 -0.223 611 2HG1 VAL 80 2HG1 VAL 80 2.491 10.303 -2.001 612 3HG1 VAL 80 3HG1 VAL 80 2.396 11.880 -1.182 613 1HG2 VAL 80 1HG2 VAL 80 0.001 8.985 -0.038 614 2HG2 VAL 80 2HG2 VAL 80 0.725 10.275 0.952 615 3HG2 VAL 80 3HG2 VAL 80 -0.946 10.439 0.360 616 H ASN 81 H ASN 81 -1.716 14.117 -1.121 617 HA ASN 81 HA ASN 81 -4.023 12.473 -0.858 618 1HB ASN 81 1HB ASN 81 -5.188 14.799 -0.913 619 2HB ASN 81 2HB ASN 81 -4.081 14.506 0.414 620 1HD2 ASN 81 1HD2 ASN 81 -4.940 16.562 -2.056 621 2HD2 ASN 81 2HD2 ASN 81 -3.525 17.557 -2.152 622 H GLY 82 H GLY 82 -5.739 12.294 -2.447 623 1HA GLY 82 1HA GLY 82 -6.491 12.011 -4.557 624 2HA GLY 82 2HA GLY 82 -6.178 13.729 -4.703 625 H ALA 83 H ALA 83 -4.100 10.743 -4.507 626 HA ALA 83 HA ALA 83 -3.115 11.248 -7.165 627 1HB ALA 83 1HB ALA 83 -1.794 12.462 -5.001 628 2HB ALA 83 2HB ALA 83 -0.832 11.010 -5.364 629 3HB ALA 83 3HB ALA 83 -1.148 12.209 -6.640 630 H GLU 84 H GLU 84 -1.382 9.477 -7.691 631 HA GLU 84 HA GLU 84 -2.084 7.090 -6.169 632 1HB GLU 84 1HB GLU 84 -2.171 5.799 -8.240 633 2HB GLU 84 2HB GLU 84 -3.278 7.151 -8.360 634 1HG GLU 84 1HG GLU 84 -0.945 8.272 -9.352 635 2HG GLU 84 2HG GLU 84 -0.780 6.611 -9.885 636 H LEU 85 H LEU 85 -0.410 5.422 -6.074 637 HA LEU 85 HA LEU 85 2.246 6.560 -6.580 638 1HB LEU 85 1HB LEU 85 2.416 6.203 -4.390 639 2HB LEU 85 2HB LEU 85 1.040 5.120 -4.346 640 HG LEU 85 HG LEU 85 2.494 3.283 -5.197 641 1HD1 LEU 85 1HD1 LEU 85 4.591 3.569 -5.900 642 2HD1 LEU 85 2HD1 LEU 85 4.227 5.311 -5.919 643 3HD1 LEU 85 3HD1 LEU 85 5.016 4.582 -4.500 644 1HD2 LEU 85 1HD2 LEU 85 2.056 3.918 -2.711 645 2HD2 LEU 85 2HD2 LEU 85 3.304 2.714 -3.108 646 3HD2 LEU 85 3HD2 LEU 85 3.773 4.385 -2.713 647 H ASP 86 H ASP 86 3.070 5.846 -8.474 648 HA ASP 86 HA ASP 86 2.277 3.216 -9.355 649 1HB ASP 86 1HB ASP 86 2.318 5.304 -10.859 650 2HB ASP 86 2HB ASP 86 4.067 5.247 -10.764 651 H TYR 87 H TYR 87 3.572 1.605 -8.414 652 HA TYR 87 HA TYR 87 6.338 2.175 -7.808 653 1HB TYR 87 1HB TYR 87 4.246 0.609 -6.787 654 2HB TYR 87 2HB TYR 87 5.152 -0.591 -7.686 655 HD1 TYR 87 1HD TYR 87 7.141 -1.530 -6.804 656 HD2 TYR 87 2HD TYR 87 5.464 1.962 -4.988 657 HE1 TYR 87 1HE TYR 87 8.758 -1.757 -4.855 658 HE2 TYR 87 2HE TYR 87 7.086 1.723 -3.046 659 HH TYR 87 HH TYR 87 9.740 -0.453 -3.173 660 H VAL 88 H VAL 88 7.963 1.892 -9.245 661 HA VAL 88 HA VAL 88 7.466 0.523 -11.698 662 HB VAL 88 HB VAL 88 9.803 1.928 -10.432 663 1HG1 VAL 88 1HG1 VAL 88 10.911 1.582 -12.742 664 2HG1 VAL 88 2HG1 VAL 88 10.966 0.242 -11.571 665 3HG1 VAL 88 3HG1 VAL 88 9.795 0.205 -12.912 666 1HG2 VAL 88 1HG2 VAL 88 8.006 2.454 -12.813 667 2HG2 VAL 88 2HG2 VAL 88 8.192 3.425 -11.332 668 3HG2 VAL 88 3HG2 VAL 88 9.516 3.349 -12.519 669 H VAL 89 H VAL 89 8.473 -1.417 -12.457 670 HA VAL 89 HA VAL 89 9.662 -3.046 -10.325 671 HB VAL 89 HB VAL 89 7.704 -4.040 -12.399 672 1HG1 VAL 89 1HG1 VAL 89 8.776 -5.951 -11.782 673 2HG1 VAL 89 2HG1 VAL 89 9.304 -5.285 -10.218 674 3HG1 VAL 89 3HG1 VAL 89 7.632 -5.862 -10.421 675 1HG2 VAL 89 1HG2 VAL 89 7.254 -2.844 -9.705 676 2HG2 VAL 89 2HG2 VAL 89 6.210 -2.855 -11.148 677 3HG2 VAL 89 3HG2 VAL 89 6.318 -4.301 -10.116 678 H ASP 90 H ASP 90 11.729 -3.473 -10.884 679 HA ASP 90 HA ASP 90 12.254 -4.574 -13.428 680 1HB ASP 90 1HB ASP 90 12.310 -1.850 -13.484 681 2HB ASP 90 2HB ASP 90 13.940 -2.141 -12.910 682 H PHE 91 H PHE 91 15.167 -3.607 -13.220 683 HA PHE 91 HA PHE 91 16.161 -5.633 -11.627 684 1HB PHE 91 1HB PHE 91 17.104 -3.881 -13.499 685 2HB PHE 91 2HB PHE 91 17.657 -3.024 -12.074 686 HD1 PHE 91 1HD PHE 91 19.875 -3.378 -11.608 687 HD2 PHE 91 2HD PHE 91 17.604 -6.603 -13.170 688 HE1 PHE 91 1HE PHE 91 21.902 -4.854 -11.506 689 HE2 PHE 91 2HE PHE 91 19.631 -8.080 -13.068 690 HZ PHE 91 HZ PHE 91 21.756 -7.188 -12.237 691 H MET 92 H MET 92 14.754 -2.628 -10.690 692 HA MET 92 HA MET 92 16.349 -2.335 -8.339 693 1HB MET 92 1HB MET 92 14.256 -0.854 -9.817 694 2HB MET 92 2HB MET 92 13.974 -0.796 -8.088 695 1HG MET 92 1HG MET 92 16.651 -0.282 -8.094 696 2HG MET 92 2HG MET 92 16.251 0.344 -9.681 697 1HE MET 92 1HE MET 92 16.961 2.644 -9.090 698 2HE MET 92 2HE MET 92 16.278 3.677 -7.812 699 3HE MET 92 3HE MET 92 17.351 2.323 -7.383 700 H GLY 93 H GLY 93 14.271 -4.694 -9.127 701 1HA GLY 93 1HA GLY 93 12.911 -6.092 -8.009 702 2HA GLY 93 2HA GLY 93 13.786 -5.609 -6.570 703 H GLY 94 H GLY 94 12.171 -3.051 -8.357 704 1HA GLY 94 1HA GLY 94 9.781 -2.586 -8.023 705 2HA GLY 94 2HA GLY 94 9.996 -3.057 -6.349 706 H GLY 95 H GLY 95 10.653 -0.570 -8.805 707 1HA GLY 95 1HA GLY 95 12.084 1.145 -6.961 708 2HA GLY 95 2HA GLY 95 11.644 1.483 -8.624 709 H PHE 96 H PHE 96 11.100 3.654 -7.523 710 HA PHE 96 HA PHE 96 8.300 3.523 -6.662 711 1HB PHE 96 1HB PHE 96 10.183 5.709 -5.733 712 2HB PHE 96 2HB PHE 96 8.817 5.018 -4.880 713 HD1 PHE 96 1HD PHE 96 12.363 4.991 -5.264 714 HD2 PHE 96 2HD PHE 96 9.080 2.656 -3.931 715 HE1 PHE 96 1HE PHE 96 13.926 3.562 -3.917 716 HE2 PHE 96 2HE PHE 96 10.643 1.227 -2.584 717 HZ PHE 96 HZ PHE 96 13.047 1.698 -2.592 718 H THR 97 H THR 97 6.920 5.043 -7.585 719 HA THR 97 HA THR 97 7.988 7.344 -8.931 720 HB THR 97 HB THR 97 7.103 4.849 -10.414 721 HG1 THR 97 1HG THR 97 9.276 5.222 -10.717 722 1HG2 THR 97 1HG2 THR 97 7.037 6.464 -12.462 723 2HG2 THR 97 2HG2 THR 97 5.586 6.417 -11.431 724 3HG2 THR 97 3HG2 THR 97 6.748 7.756 -11.272 725 H ILE 98 H ILE 98 6.534 8.980 -8.961 726 HA ILE 98 HA ILE 98 3.813 8.231 -8.147 727 HB ILE 98 HB ILE 98 5.452 10.693 -7.551 728 1HG1 ILE 98 1HG1 ILE 98 5.935 8.644 -6.214 729 2HG1 ILE 98 2HG1 ILE 98 5.360 10.002 -5.268 730 1HG2 ILE 98 1HG2 ILE 98 3.028 10.713 -6.092 731 2HG2 ILE 98 2HG2 ILE 98 3.579 11.858 -7.338 732 3HG2 ILE 98 3HG2 ILE 98 2.606 10.441 -7.800 733 1HD1 ILE 98 1HD1 ILE 98 3.028 8.573 -6.091 734 2HD1 ILE 98 2HD1 ILE 98 4.202 7.360 -5.527 735 3HD1 ILE 98 3HD1 ILE 98 3.710 8.689 -4.450 736 H ARG 99 H ARG 99 2.142 8.741 -9.484 737 HA ARG 99 HA ARG 99 2.888 10.320 -11.808 738 1HB ARG 99 1HB ARG 99 0.996 8.008 -11.368 739 2HB ARG 99 2HB ARG 99 0.576 9.167 -12.614 740 1HG ARG 99 1HG ARG 99 3.210 8.796 -13.232 741 2HG ARG 99 2HG ARG 99 2.870 7.237 -12.507 742 1HD ARG 99 1HD ARG 99 1.731 6.556 -14.353 743 2HD ARG 99 2HD ARG 99 0.676 7.954 -14.278 744 HE ARG 99 HE ARG 99 3.020 7.636 -15.986 745 1HH1 ARG 99 2HH2 ARG 99 0.966 9.998 -14.377 746 2HH1 ARG 99 1HH2 ARG 99 1.358 11.277 -15.477 747 1HH2 ARG 99 2HH1 ARG 99 3.537 9.324 -17.437 748 2HH2 ARG 99 1HH1 ARG 99 2.830 10.891 -17.230 749 H ASN 100 H ASN 100 2.073 12.391 -11.829 750 HA ASN 100 HA ASN 100 -0.429 12.793 -10.385 751 1HB ASN 100 1HB ASN 100 2.147 14.232 -10.327 752 2HB ASN 100 2HB ASN 100 0.822 15.317 -10.700 753 1HD2 ASN 100 1HD2 ASN 100 0.316 16.358 -8.928 754 2HD2 ASN 100 2HD2 ASN 100 0.022 15.678 -7.362 755 HA PRO 101 HA PRO 101 -1.639 13.985 -14.479 756 1HB PRO 101 1HB PRO 101 -4.309 14.296 -13.991 757 2HB PRO 101 2HB PRO 101 -3.580 12.751 -14.379 758 1HG PRO 101 1HG PRO 101 -4.526 13.749 -11.762 759 2HG PRO 101 2HG PRO 101 -4.198 12.099 -12.255 760 1HD PRO 101 1HD PRO 101 -2.536 13.762 -10.612 761 2HD PRO 101 2HD PRO 101 -2.156 12.156 -11.200 Start of MODEL 10 1 H MET 1 H MET 1 -16.417 -1.631 16.423 2 HA MET 1 HA MET 1 -15.470 -2.200 18.316 3 1HB MET 1 1HB MET 1 -15.117 -4.701 16.737 4 2HB MET 1 2HB MET 1 -13.866 -4.481 17.945 5 1HG MET 1 1HG MET 1 -15.602 -4.187 19.713 6 2HG MET 1 2HG MET 1 -16.869 -4.354 18.514 7 1HE MET 1 1HE MET 1 -17.500 -7.397 20.270 8 2HE MET 1 2HE MET 1 -16.067 -6.971 21.236 9 3HE MET 1 3HE MET 1 -17.190 -5.698 20.703 10 H GLN 2 H GLN 2 -14.108 -0.365 18.268 11 HA GLN 2 HA GLN 2 -12.287 0.808 18.033 12 1HB GLN 2 1HB GLN 2 -11.087 -1.921 18.638 13 2HB GLN 2 2HB GLN 2 -10.100 -0.476 18.544 14 1HG GLN 2 1HG GLN 2 -10.681 0.075 20.663 15 2HG GLN 2 2HG GLN 2 -12.366 0.169 20.189 16 1HE2 GLN 2 1HE2 GLN 2 -10.143 -1.358 22.119 17 2HE2 GLN 2 2HE2 GLN 2 -11.023 -2.781 22.566 18 H GLU 3 H GLU 3 -12.885 1.133 15.699 19 HA GLU 3 HA GLU 3 -10.657 0.283 14.083 20 1HB GLU 3 1HB GLU 3 -13.198 -0.983 13.864 21 2HB GLU 3 2HB GLU 3 -13.076 0.082 12.478 22 1HG GLU 3 1HG GLU 3 -10.711 -0.903 12.104 23 2HG GLU 3 2HG GLU 3 -11.131 -2.118 13.296 24 H GLN 4 H GLN 4 -10.267 1.708 12.253 25 HA GLN 4 HA GLN 4 -11.662 4.236 12.607 26 1HB GLN 4 1HB GLN 4 -8.906 3.579 12.415 27 2HB GLN 4 2HB GLN 4 -9.295 4.380 10.906 28 1HG GLN 4 1HG GLN 4 -10.421 5.650 13.373 29 2HG GLN 4 2HG GLN 4 -8.677 5.715 13.215 30 1HE2 GLN 4 1HE2 GLN 4 -9.704 8.051 13.207 31 2HE2 GLN 4 2HE2 GLN 4 -9.853 8.777 11.641 32 H ALA 5 H ALA 5 -13.516 3.774 11.302 33 HA ALA 5 HA ALA 5 -13.234 2.729 8.679 34 1HB ALA 5 1HB ALA 5 -15.655 3.388 8.530 35 2HB ALA 5 2HB ALA 5 -15.271 2.394 9.955 36 3HB ALA 5 3HB ALA 5 -15.500 4.150 10.131 37 H GLN 6 H GLN 6 -12.166 3.830 7.105 38 HA GLN 6 HA GLN 6 -13.165 6.269 6.227 39 1HB GLN 6 1HB GLN 6 -11.832 6.991 8.313 40 2HB GLN 6 2HB GLN 6 -10.385 6.534 7.436 41 1HG GLN 6 1HG GLN 6 -10.410 8.487 6.288 42 2HG GLN 6 2HG GLN 6 -12.020 8.152 5.684 43 1HE2 GLN 6 1HE2 GLN 6 -10.095 9.793 8.034 44 2HE2 GLN 6 2HE2 GLN 6 -11.335 10.755 8.769 45 H GLN 7 H GLN 7 -12.700 6.396 4.052 46 HA GLN 7 HA GLN 7 -10.417 4.803 3.174 47 1HB GLN 7 1HB GLN 7 -12.674 3.804 2.618 48 2HB GLN 7 2HB GLN 7 -13.031 5.228 1.661 49 1HG GLN 7 1HG GLN 7 -10.662 4.637 0.529 50 2HG GLN 7 2HG GLN 7 -11.032 3.032 1.127 51 1HE2 GLN 7 1HE2 GLN 7 -12.236 1.764 -0.066 52 2HE2 GLN 7 2HE2 GLN 7 -13.271 2.231 -1.374 53 H PHE 8 H PHE 8 -8.837 6.286 2.687 54 HA PHE 8 HA PHE 8 -9.503 8.892 1.769 55 1HB PHE 8 1HB PHE 8 -7.477 8.693 3.023 56 2HB PHE 8 2HB PHE 8 -7.064 7.158 2.285 57 HD1 PHE 8 1HD PHE 8 -7.373 10.778 1.455 58 HD2 PHE 8 2HD PHE 8 -5.447 7.089 0.621 59 HE1 PHE 8 1HE PHE 8 -5.800 11.952 -0.109 60 HE2 PHE 8 2HE PHE 8 -3.874 8.264 -0.943 61 HZ PHE 8 HZ PHE 8 -4.070 10.682 -1.289 62 H ILE 9 H ILE 9 -8.563 9.838 -0.283 63 HA ILE 9 HA ILE 9 -9.312 8.139 -2.471 64 HB ILE 9 HB ILE 9 -8.214 10.948 -2.539 65 1HG1 ILE 9 1HG1 ILE 9 -10.146 10.739 -0.972 66 2HG1 ILE 9 2HG1 ILE 9 -10.435 11.796 -2.339 67 1HG2 ILE 9 1HG2 ILE 9 -8.356 10.662 -4.738 68 2HG2 ILE 9 2HG2 ILE 9 -9.144 9.077 -4.548 69 3HG2 ILE 9 3HG2 ILE 9 -10.123 10.564 -4.543 70 1HD1 ILE 9 1HD1 ILE 9 -12.002 9.577 -1.540 71 2HD1 ILE 9 2HD1 ILE 9 -12.178 10.528 -3.034 72 3HD1 ILE 9 3HD1 ILE 9 -11.174 9.059 -3.028 73 H PHE 10 H PHE 10 -7.929 6.620 -3.213 74 HA PHE 10 HA PHE 10 -5.316 7.456 -4.025 75 1HB PHE 10 1HB PHE 10 -5.274 6.798 -1.485 76 2HB PHE 10 2HB PHE 10 -5.667 5.171 -2.002 77 HD1 PHE 10 1HD PHE 10 -3.919 3.699 -2.279 78 HD2 PHE 10 2HD PHE 10 -3.178 7.845 -2.795 79 HE1 PHE 10 1HE PHE 10 -1.480 3.220 -2.627 80 HE2 PHE 10 2HE PHE 10 -0.739 7.366 -3.142 81 HZ PHE 10 HZ PHE 10 0.081 5.059 -3.054 82 H LYS 11 H LYS 11 -4.630 6.254 -5.780 83 HA LYS 11 HA LYS 11 -5.938 3.679 -6.213 84 1HB LYS 11 1HB LYS 11 -5.851 5.921 -8.254 85 2HB LYS 11 2HB LYS 11 -6.366 4.278 -8.577 86 1HG LYS 11 1HG LYS 11 -7.657 5.837 -6.319 87 2HG LYS 11 2HG LYS 11 -8.163 6.127 -7.971 88 1HD LYS 11 1HD LYS 11 -8.819 3.802 -8.271 89 2HD LYS 11 2HD LYS 11 -8.063 3.329 -6.763 90 1HE LYS 11 1HE LYS 11 -9.711 4.504 -5.444 91 2HE LYS 11 2HE LYS 11 -10.313 5.381 -6.837 92 1HZ LYS 11 1HZ LYS 11 -10.876 3.103 -7.735 93 2HZ LYS 11 2HZ LYS 11 -10.656 2.546 -6.216 94 3HZ LYS 11 3HZ LYS 11 -11.804 3.667 -6.516 95 H VAL 12 H VAL 12 -4.293 2.246 -6.253 96 HA VAL 12 HA VAL 12 -1.787 3.150 -7.486 97 HB VAL 12 HB VAL 12 -2.091 2.320 -4.988 98 1HG1 VAL 12 1HG1 VAL 12 -1.469 -0.294 -6.389 99 2HG1 VAL 12 2HG1 VAL 12 -1.737 -0.011 -4.652 100 3HG1 VAL 12 3HG1 VAL 12 -3.093 0.133 -5.797 101 1HG2 VAL 12 1HG2 VAL 12 0.156 1.874 -6.935 102 2HG2 VAL 12 2HG2 VAL 12 0.033 3.025 -5.584 103 3HG2 VAL 12 3HG2 VAL 12 0.311 1.297 -5.259 104 H THR 13 H THR 13 -0.910 2.001 -9.201 105 HA THR 13 HA THR 13 -2.652 0.508 -10.788 106 HB THR 13 HB THR 13 -0.310 -0.074 -11.889 107 HG1 THR 13 1HG THR 13 0.667 0.490 -9.690 108 1HG2 THR 13 1HG2 THR 13 -1.248 1.712 -13.056 109 2HG2 THR 13 2HG2 THR 13 -1.644 2.603 -11.567 110 3HG2 THR 13 3HG2 THR 13 0.022 2.613 -12.193 111 H ASP 14 H ASP 14 -2.100 -1.773 -11.631 112 HA ASP 14 HA ASP 14 -2.478 -3.482 -9.465 113 1HB ASP 14 1HB ASP 14 -1.860 -3.904 -12.413 114 2HB ASP 14 2HB ASP 14 -2.010 -5.272 -11.327 115 H LYS 15 H LYS 15 0.332 -2.387 -11.364 116 HA LYS 15 HA LYS 15 2.099 -4.459 -10.701 117 1HB LYS 15 1HB LYS 15 2.133 -2.247 -12.343 118 2HB LYS 15 2HB LYS 15 3.276 -1.790 -11.096 119 1HG LYS 15 1HG LYS 15 4.460 -2.990 -12.879 120 2HG LYS 15 2HG LYS 15 4.493 -3.953 -11.414 121 1HD LYS 15 1HD LYS 15 3.288 -5.641 -12.364 122 2HD LYS 15 2HD LYS 15 2.105 -4.535 -13.034 123 1HE LYS 15 1HE LYS 15 4.645 -4.234 -14.442 124 2HE LYS 15 2HE LYS 15 4.167 -5.920 -14.435 125 1HZ LYS 15 1HZ LYS 15 3.256 -4.344 -16.219 126 2HZ LYS 15 2HZ LYS 15 2.252 -5.447 -15.556 127 3HZ LYS 15 3HZ LYS 15 2.183 -3.888 -15.076 128 H ALA 16 H ALA 16 1.328 -1.294 -9.139 129 HA ALA 16 HA ALA 16 3.271 -1.485 -7.140 130 1HB ALA 16 1HB ALA 16 2.132 0.353 -6.163 131 2HB ALA 16 2HB ALA 16 1.843 0.518 -7.911 132 3HB ALA 16 3HB ALA 16 0.568 -0.139 -6.857 133 H VAL 17 H VAL 17 -0.246 -2.394 -7.167 134 HA VAL 17 HA VAL 17 -0.264 -3.388 -4.559 135 HB VAL 17 HB VAL 17 -1.978 -3.411 -6.946 136 1HG1 VAL 17 1HG1 VAL 17 -2.150 -5.726 -6.787 137 2HG1 VAL 17 2HG1 VAL 17 -1.970 -5.723 -5.016 138 3HG1 VAL 17 3HG1 VAL 17 -3.491 -5.170 -5.757 139 1HG2 VAL 17 1HG2 VAL 17 -3.133 -2.066 -5.596 140 2HG2 VAL 17 2HG2 VAL 17 -3.413 -3.419 -4.474 141 3HG2 VAL 17 3HG2 VAL 17 -1.976 -2.386 -4.281 142 H GLU 18 H GLU 18 0.036 -5.118 -7.743 143 HA GLU 18 HA GLU 18 0.325 -7.619 -6.734 144 1HB GLU 18 1HB GLU 18 0.080 -7.063 -9.143 145 2HB GLU 18 2HB GLU 18 1.709 -6.417 -9.173 146 1HG GLU 18 1HG GLU 18 2.015 -8.988 -8.048 147 2HG GLU 18 2HG GLU 18 0.814 -9.216 -9.304 148 H GLU 19 H GLU 19 2.585 -4.917 -6.663 149 HA GLU 19 HA GLU 19 4.948 -6.311 -6.431 150 1HB GLU 19 1HB GLU 19 4.497 -3.761 -6.685 151 2HB GLU 19 2HB GLU 19 4.356 -3.732 -4.938 152 1HG GLU 19 1HG GLU 19 6.674 -3.191 -5.700 153 2HG GLU 19 2HG GLU 19 6.634 -4.613 -4.677 154 H ILE 20 H ILE 20 2.409 -5.516 -4.029 155 HA ILE 20 HA ILE 20 3.966 -6.385 -1.806 156 HB ILE 20 HB ILE 20 1.055 -5.717 -2.202 157 1HG1 ILE 20 1HG1 ILE 20 1.720 -3.803 -0.676 158 2HG1 ILE 20 2HG1 ILE 20 3.388 -4.286 -0.907 159 1HG2 ILE 20 1HG2 ILE 20 0.787 -7.165 -0.454 160 2HG2 ILE 20 2HG2 ILE 20 2.445 -6.928 0.150 161 3HG2 ILE 20 3HG2 ILE 20 1.206 -5.683 0.438 162 1HD1 ILE 20 1HD1 ILE 20 3.382 -3.733 -3.199 163 2HD1 ILE 20 2HD1 ILE 20 1.611 -3.861 -3.323 164 3HD1 ILE 20 3HD1 ILE 20 2.347 -2.466 -2.497 165 H LYS 21 H LYS 21 1.645 -7.846 -4.096 166 HA LYS 21 HA LYS 21 1.119 -10.171 -2.669 167 1HB LYS 21 1HB LYS 21 1.095 -9.470 -5.604 168 2HB LYS 21 2HB LYS 21 0.712 -11.089 -5.054 169 1HG LYS 21 1HG LYS 21 -1.068 -10.162 -3.558 170 2HG LYS 21 2HG LYS 21 -0.683 -8.542 -4.103 171 1HD LYS 21 1HD LYS 21 -1.106 -10.267 -6.413 172 2HD LYS 21 2HD LYS 21 -2.468 -10.411 -5.320 173 1HE LYS 21 1HE LYS 21 -3.114 -8.196 -5.596 174 2HE LYS 21 2HE LYS 21 -1.471 -7.625 -5.813 175 1HZ LYS 21 1HZ LYS 21 -2.454 -7.496 -7.889 176 2HZ LYS 21 2HZ LYS 21 -1.562 -8.860 -7.989 177 3HZ LYS 21 3HZ LYS 21 -3.178 -8.956 -7.780 178 H LYS 22 H LYS 22 3.791 -9.308 -4.934 179 HA LYS 22 HA LYS 22 4.948 -11.902 -4.786 180 1HB LYS 22 1HB LYS 22 5.181 -9.705 -6.452 181 2HB LYS 22 2HB LYS 22 6.705 -9.691 -5.588 182 1HG LYS 22 1HG LYS 22 6.720 -12.293 -6.104 183 2HG LYS 22 2HG LYS 22 5.545 -11.879 -7.336 184 1HD LYS 22 1HD LYS 22 8.085 -10.251 -7.173 185 2HD LYS 22 2HD LYS 22 8.172 -11.859 -7.863 186 1HE LYS 22 1HE LYS 22 5.877 -10.705 -9.055 187 2HE LYS 22 2HE LYS 22 7.050 -9.404 -9.019 188 1HZ LYS 22 1HZ LYS 22 8.068 -10.376 -10.690 189 2HZ LYS 22 2HZ LYS 22 8.368 -11.709 -9.795 190 3HZ LYS 22 3HZ LYS 22 7.005 -11.617 -10.690 191 H VAL 23 H VAL 23 5.644 -8.685 -3.274 192 HA VAL 23 HA VAL 23 7.878 -9.482 -1.846 193 HB VAL 23 HB VAL 23 5.813 -7.338 -1.614 194 1HG1 VAL 23 1HG1 VAL 23 7.854 -8.026 0.515 195 2HG1 VAL 23 2HG1 VAL 23 7.161 -6.397 0.332 196 3HG1 VAL 23 3HG1 VAL 23 6.101 -7.780 0.700 197 1HG2 VAL 23 1HG2 VAL 23 8.015 -5.972 -1.707 198 2HG2 VAL 23 2HG2 VAL 23 8.771 -7.512 -2.180 199 3HG2 VAL 23 3HG2 VAL 23 7.472 -6.816 -3.177 200 H ALA 24 H ALA 24 4.367 -9.764 -1.120 201 HA ALA 24 HA ALA 24 4.809 -10.738 1.517 202 1HB ALA 24 1HB ALA 24 2.746 -9.624 1.036 203 2HB ALA 24 2HB ALA 24 2.430 -10.667 -0.371 204 3HB ALA 24 3HB ALA 24 2.340 -11.341 1.274 205 H GLN 25 H GLN 25 4.309 -12.169 -1.743 206 HA GLN 25 HA GLN 25 3.899 -14.759 -0.937 207 1HB GLN 25 1HB GLN 25 4.533 -13.338 -3.399 208 2HB GLN 25 2HB GLN 25 5.409 -14.855 -3.348 209 1HG GLN 25 1HG GLN 25 3.142 -15.937 -2.642 210 2HG GLN 25 2HG GLN 25 2.401 -14.431 -3.147 211 1HE2 GLN 25 1HE2 GLN 25 1.309 -15.186 -4.874 212 2HE2 GLN 25 2HE2 GLN 25 2.036 -15.796 -6.323 213 H GLU 26 H GLU 26 6.932 -12.890 -1.390 214 HA GLU 26 HA GLU 26 8.565 -15.174 -1.024 215 1HB GLU 26 1HB GLU 26 8.928 -12.586 -2.003 216 2HB GLU 26 2HB GLU 26 9.812 -12.550 -0.491 217 1HG GLU 26 1HG GLU 26 10.614 -14.993 -1.493 218 2HG GLU 26 2HG GLU 26 10.372 -14.097 -2.979 219 H ASN 27 H ASN 27 6.569 -13.494 1.072 220 HA ASN 27 HA ASN 27 8.380 -13.995 3.302 221 1HB ASN 27 1HB ASN 27 6.221 -11.914 2.831 222 2HB ASN 27 2HB ASN 27 6.568 -12.404 4.477 223 1HD2 ASN 27 1HD2 ASN 27 7.356 -10.333 2.007 224 2HD2 ASN 27 2HD2 ASN 27 8.900 -9.760 2.544 225 H ASN 28 H ASN 28 5.979 -15.409 1.579 226 HA ASN 28 HA ASN 28 4.395 -16.846 1.935 227 1HB ASN 28 1HB ASN 28 6.386 -17.631 3.610 228 2HB ASN 28 2HB ASN 28 5.161 -17.306 4.821 229 1HD2 ASN 28 1HD2 ASN 28 4.907 -19.421 5.399 230 2HD2 ASN 28 2HD2 ASN 28 4.138 -20.615 4.407 231 H ILE 29 H ILE 29 3.835 -14.036 2.563 232 HA ILE 29 HA ILE 29 2.093 -14.220 4.903 233 HB ILE 29 HB ILE 29 3.263 -11.921 3.354 234 1HG1 ILE 29 1HG1 ILE 29 3.459 -12.722 6.273 235 2HG1 ILE 29 2HG1 ILE 29 4.679 -13.032 5.054 236 1HG2 ILE 29 1HG2 ILE 29 1.064 -11.850 5.434 237 2HG2 ILE 29 2HG2 ILE 29 2.029 -10.436 4.943 238 3HG2 ILE 29 3HG2 ILE 29 0.997 -11.266 3.753 239 1HD1 ILE 29 1HD1 ILE 29 5.495 -11.033 5.903 240 2HD1 ILE 29 2HD1 ILE 29 4.428 -10.387 4.633 241 3HD1 ILE 29 3HD1 ILE 29 3.874 -10.429 6.324 242 H GLU 30 H GLU 30 -0.145 -13.887 4.772 243 HA GLU 30 HA GLU 30 -1.139 -13.842 2.028 244 1HB GLU 30 1HB GLU 30 -1.508 -15.822 4.046 245 2HB GLU 30 2HB GLU 30 -3.046 -14.995 3.895 246 1HG GLU 30 1HG GLU 30 -3.250 -15.528 1.578 247 2HG GLU 30 2HG GLU 30 -1.541 -15.878 1.410 248 H ASN 31 H ASN 31 -0.663 -11.874 4.551 249 HA ASN 31 HA ASN 31 -3.028 -10.370 3.925 250 1HB ASN 31 1HB ASN 31 -2.424 -11.550 6.637 251 2HB ASN 31 2HB ASN 31 -3.045 -9.911 6.610 252 1HD2 ASN 31 1HD2 ASN 31 -4.580 -11.613 7.835 253 2HD2 ASN 31 2HD2 ASN 31 -5.972 -12.086 6.920 254 HA PRO 32 HA PRO 32 0.920 -8.092 4.575 255 1HB PRO 32 1HB PRO 32 1.223 -7.070 2.059 256 2HB PRO 32 2HB PRO 32 2.000 -8.547 2.593 257 1HG PRO 32 1HG PRO 32 -0.334 -8.221 0.808 258 2HG PRO 32 2HG PRO 32 0.704 -9.617 1.014 259 1HD PRO 32 1HD PRO 32 -1.938 -9.272 2.075 260 2HD PRO 32 2HD PRO 32 -0.856 -10.617 2.375 261 H ILE 33 H ILE 33 1.416 -5.776 4.626 262 HA ILE 33 HA ILE 33 -0.999 -4.200 4.161 263 HB ILE 33 HB ILE 33 0.532 -4.370 6.754 264 1HG1 ILE 33 1HG1 ILE 33 -2.439 -4.685 6.314 265 2HG1 ILE 33 2HG1 ILE 33 -1.337 -6.041 6.176 266 1HG2 ILE 33 1HG2 ILE 33 -1.580 -2.357 5.935 267 2HG2 ILE 33 2HG2 ILE 33 -0.887 -2.545 7.564 268 3HG2 ILE 33 3HG2 ILE 33 0.146 -2.023 6.212 269 1HD1 ILE 33 1HD1 ILE 33 -0.831 -6.057 8.445 270 2HD1 ILE 33 2HD1 ILE 33 -1.092 -4.305 8.623 271 3HD1 ILE 33 3HD1 ILE 33 -2.486 -5.406 8.514 272 H LEU 34 H LEU 34 -0.436 -2.642 2.749 273 HA LEU 34 HA LEU 34 2.357 -1.833 2.668 274 1HB LEU 34 1HB LEU 34 0.880 -2.542 0.663 275 2HB LEU 34 2HB LEU 34 0.192 -0.935 0.791 276 HG LEU 34 HG LEU 34 2.625 -0.079 0.645 277 1HD1 LEU 34 1HD1 LEU 34 4.254 -1.579 0.564 278 2HD1 LEU 34 2HD1 LEU 34 3.078 -2.914 0.503 279 3HD1 LEU 34 3HD1 LEU 34 3.625 -2.139 -1.004 280 1HD2 LEU 34 1HD2 LEU 34 2.576 -0.449 -1.916 281 2HD2 LEU 34 2HD2 LEU 34 1.020 -1.258 -1.610 282 3HD2 LEU 34 3HD2 LEU 34 1.244 0.446 -1.146 283 H ARG 35 H ARG 35 3.103 0.110 3.397 284 HA ARG 35 HA ARG 35 1.031 1.962 4.270 285 1HB ARG 35 1HB ARG 35 2.150 1.022 6.230 286 2HB ARG 35 2HB ARG 35 3.734 1.295 5.530 287 1HG ARG 35 1HG ARG 35 1.928 3.686 5.859 288 2HG ARG 35 2HG ARG 35 2.641 3.006 7.308 289 1HD ARG 35 1HD ARG 35 4.493 3.420 4.977 290 2HD ARG 35 2HD ARG 35 3.907 4.866 5.775 291 HE ARG 35 HE ARG 35 4.982 4.175 7.817 292 1HH1 ARG 35 2HH2 ARG 35 5.510 1.925 5.163 293 2HH1 ARG 35 1HH2 ARG 35 6.847 1.134 5.930 294 1HH2 ARG 35 2HH1 ARG 35 6.745 3.132 8.830 295 2HH2 ARG 35 1HH1 ARG 35 7.554 1.825 8.030 296 H ILE 36 H ILE 36 1.342 4.189 3.764 297 HA ILE 36 HA ILE 36 3.410 4.656 1.772 298 HB ILE 36 HB ILE 36 0.813 5.934 2.511 299 1HG1 ILE 36 1HG1 ILE 36 0.805 4.184 0.828 300 2HG1 ILE 36 2HG1 ILE 36 0.407 5.729 0.102 301 1HG2 ILE 36 1HG2 ILE 36 3.208 7.344 1.474 302 2HG2 ILE 36 2HG2 ILE 36 1.672 7.659 0.631 303 3HG2 ILE 36 3HG2 ILE 36 1.805 7.960 2.380 304 1HD1 ILE 36 1HD1 ILE 36 2.908 4.076 -0.192 305 2HD1 ILE 36 2HD1 ILE 36 1.977 4.951 -1.431 306 3HD1 ILE 36 3HD1 ILE 36 3.047 5.845 -0.326 307 H ARG 37 H ARG 37 5.354 5.343 2.483 308 HA ARG 37 HA ARG 37 5.282 7.290 4.642 309 1HB ARG 37 1HB ARG 37 6.318 4.720 4.890 310 2HB ARG 37 2HB ARG 37 7.750 5.630 4.451 311 1HG ARG 37 1HG ARG 37 7.028 7.326 6.295 312 2HG ARG 37 2HG ARG 37 5.910 6.088 6.833 313 1HD ARG 37 1HD ARG 37 7.854 4.476 7.038 314 2HD ARG 37 2HD ARG 37 8.943 5.777 6.599 315 HE ARG 37 HE ARG 37 7.329 6.696 8.762 316 1HH1 ARG 37 2HH2 ARG 37 9.841 4.313 8.137 317 2HH1 ARG 37 1HH2 ARG 37 10.446 4.338 9.760 318 1HH2 ARG 37 2HH1 ARG 37 8.126 6.730 10.903 319 2HH2 ARG 37 1HH1 ARG 37 9.464 5.722 11.344 320 H VAL 38 H VAL 38 6.590 9.125 4.314 321 HA VAL 38 HA VAL 38 7.664 9.430 1.674 322 HB VAL 38 HB VAL 38 7.976 11.389 3.925 323 1HG1 VAL 38 1HG1 VAL 38 7.303 11.805 0.995 324 2HG1 VAL 38 2HG1 VAL 38 7.784 13.038 2.186 325 3HG1 VAL 38 3HG1 VAL 38 8.957 11.810 1.653 326 1HG2 VAL 38 1HG2 VAL 38 5.430 10.419 2.722 327 2HG2 VAL 38 2HG2 VAL 38 5.753 11.106 4.331 328 3HG2 VAL 38 3HG2 VAL 38 5.611 12.179 2.918 329 H VAL 39 H VAL 39 9.864 9.792 1.111 330 HA VAL 39 HA VAL 39 11.849 9.528 3.188 331 HB VAL 39 HB VAL 39 11.374 7.219 2.811 332 1HG1 VAL 39 1HG1 VAL 39 12.031 7.351 -0.112 333 2HG1 VAL 39 2HG1 VAL 39 11.035 6.179 0.784 334 3HG1 VAL 39 3HG1 VAL 39 10.394 7.800 0.424 335 1HG2 VAL 39 1HG2 VAL 39 13.598 6.553 1.558 336 2HG2 VAL 39 2HG2 VAL 39 13.917 8.302 1.639 337 3HG2 VAL 39 3HG2 VAL 39 13.654 7.375 3.136 338 HA PRO 40 HA PRO 40 13.555 12.253 0.251 339 1HB PRO 40 1HB PRO 40 15.781 12.973 1.663 340 2HB PRO 40 2HB PRO 40 14.216 13.728 1.890 341 1HG PRO 40 1HG PRO 40 15.599 11.772 3.623 342 2HG PRO 40 2HG PRO 40 14.269 12.842 4.019 343 1HD PRO 40 1HD PRO 40 14.109 10.026 3.499 344 2HD PRO 40 2HD PRO 40 12.767 11.118 3.780 345 H GLY 41 H GLY 41 14.206 11.422 -1.632 346 1HA GLY 41 1HA GLY 41 16.701 10.919 -2.342 347 2HA GLY 41 2HA GLY 41 16.328 9.421 -1.514 348 H GLY 42 H GLY 42 16.944 9.191 -4.158 349 1HA GLY 42 1HA GLY 42 15.598 7.656 -5.544 350 2HA GLY 42 2HA GLY 42 14.315 8.847 -5.475 351 H CYS 43 H CYS 43 16.674 7.660 -7.463 352 HA CYS 43 HA CYS 43 17.855 10.021 -8.438 353 1HB CYS 43 1HB CYS 43 19.003 7.984 -8.846 354 2HB CYS 43 2HB CYS 43 17.589 7.219 -9.545 355 HG CYS 43 HG CYS 43 19.804 8.204 -11.116 356 H SER 44 H SER 44 14.973 8.023 -9.307 357 HA SER 44 HA SER 44 14.348 9.408 -11.623 358 1HB SER 44 1HB SER 44 13.164 7.354 -9.940 359 2HB SER 44 2HB SER 44 11.922 8.485 -10.438 360 HG SER 44 HG SER 44 12.361 8.070 -12.614 361 H GLY 45 H GLY 45 13.413 9.865 -8.168 362 1HA GLY 45 1HA GLY 45 13.263 12.492 -7.958 363 2HA GLY 45 2HA GLY 45 11.784 12.191 -8.848 364 H PHE 46 H PHE 46 11.730 13.307 -6.253 365 HA PHE 46 HA PHE 46 11.608 11.795 -4.074 366 1HB PHE 46 1HB PHE 46 9.413 13.684 -5.119 367 2HB PHE 46 2HB PHE 46 9.677 13.307 -3.428 368 HD1 PHE 46 1HD PHE 46 12.147 13.816 -2.577 369 HD2 PHE 46 2HD PHE 46 10.324 15.632 -5.951 370 HE1 PHE 46 1HE PHE 46 13.737 15.750 -2.395 371 HE2 PHE 46 2HE PHE 46 11.914 17.566 -5.769 372 HZ PHE 46 HZ PHE 46 13.601 17.602 -3.993 373 H GLN 47 H GLN 47 10.934 9.700 -3.867 374 HA GLN 47 HA GLN 47 8.174 9.203 -4.596 375 1HB GLN 47 1HB GLN 47 8.924 6.885 -5.431 376 2HB GLN 47 2HB GLN 47 9.247 8.246 -6.487 377 1HG GLN 47 1HG GLN 47 11.533 8.183 -4.887 378 2HG GLN 47 2HG GLN 47 11.149 6.481 -5.055 379 1HE2 GLN 47 1HE2 GLN 47 13.389 7.006 -6.131 380 2HE2 GLN 47 2HE2 GLN 47 13.357 7.175 -7.854 381 H TYR 48 H TYR 48 7.067 8.076 -3.014 382 HA TYR 48 HA TYR 48 8.493 7.508 -0.594 383 1HB TYR 48 1HB TYR 48 5.637 6.700 -1.332 384 2HB TYR 48 2HB TYR 48 6.219 7.252 0.226 385 HD1 TYR 48 1HD TYR 48 3.974 8.169 -2.030 386 HD2 TYR 48 2HD TYR 48 7.583 9.764 -0.377 387 HE1 TYR 48 1HE TYR 48 3.186 10.526 -2.565 388 HE2 TYR 48 2HE TYR 48 6.783 12.116 -0.918 389 HH TYR 48 HH TYR 48 4.131 13.086 -1.234 390 H ALA 49 H ALA 49 9.030 5.527 0.291 391 HA ALA 49 HA ALA 49 9.042 3.311 -1.541 392 1HB ALA 49 1HB ALA 49 10.158 3.892 1.210 393 2HB ALA 49 2HB ALA 49 10.180 2.241 0.545 394 3HB ALA 49 3HB ALA 49 11.029 3.555 -0.305 395 H MET 50 H MET 50 8.228 1.132 -0.901 396 HA MET 50 HA MET 50 6.021 1.304 0.981 397 1HB MET 50 1HB MET 50 4.674 -0.097 -0.722 398 2HB MET 50 2HB MET 50 4.934 1.576 -1.174 399 1HG MET 50 1HG MET 50 6.175 0.999 -3.002 400 2HG MET 50 2HG MET 50 7.152 -0.130 -2.085 401 1HE MET 50 1HE MET 50 7.252 -2.366 -2.573 402 2HE MET 50 2HE MET 50 6.016 -2.680 -1.331 403 3HE MET 50 3HE MET 50 5.903 -3.474 -2.920 404 H GLY 51 H GLY 51 5.506 -0.689 2.047 405 1HA GLY 51 1HA GLY 51 6.677 -3.166 1.290 406 2HA GLY 51 2HA GLY 51 7.610 -2.408 2.565 407 H PHE 52 H PHE 52 6.483 -4.773 3.243 408 HA PHE 52 HA PHE 52 3.842 -4.431 4.276 409 1HB PHE 52 1HB PHE 52 4.378 -6.732 5.204 410 2HB PHE 52 2HB PHE 52 4.743 -6.619 3.493 411 HD1 PHE 52 1HD PHE 52 6.972 -6.864 2.691 412 HD2 PHE 52 2HD PHE 52 6.236 -6.658 6.865 413 HE1 PHE 52 1HE PHE 52 9.324 -7.614 3.143 414 HE2 PHE 52 2HE PHE 52 8.589 -7.409 7.317 415 HZ PHE 52 HZ PHE 52 10.105 -7.877 5.450 416 H ASP 53 H ASP 53 3.237 -3.668 6.255 417 HA ASP 53 HA ASP 53 5.359 -2.867 8.012 418 1HB ASP 53 1HB ASP 53 2.897 -1.784 7.331 419 2HB ASP 53 2HB ASP 53 2.530 -2.521 8.878 420 H ASP 54 H ASP 54 4.672 -3.178 10.540 421 HA ASP 54 HA ASP 54 4.480 -5.997 10.867 422 1HB ASP 54 1HB ASP 54 5.350 -3.677 12.414 423 2HB ASP 54 2HB ASP 54 4.309 -4.688 13.397 424 H THR 55 H THR 55 2.499 -3.050 11.359 425 HA THR 55 HA THR 55 0.095 -4.550 11.466 426 HB THR 55 HB THR 55 1.315 -4.650 13.869 427 HG1 THR 55 1HG THR 55 -0.821 -5.466 13.347 428 1HG2 THR 55 1HG2 THR 55 -0.256 -2.019 13.861 429 2HG2 THR 55 2HG2 THR 55 0.265 -2.881 15.329 430 3HG2 THR 55 3HG2 THR 55 1.479 -2.199 14.219 431 H VAL 56 H VAL 56 -1.808 -2.969 12.064 432 HA VAL 56 HA VAL 56 -1.268 -0.594 10.479 433 HB VAL 56 HB VAL 56 -3.261 -2.396 10.399 434 1HG1 VAL 56 1HG1 VAL 56 -5.238 -1.691 11.473 435 2HG1 VAL 56 2HG1 VAL 56 -3.978 -1.583 12.726 436 3HG1 VAL 56 3HG1 VAL 56 -4.545 -0.109 11.905 437 1HG2 VAL 56 1HG2 VAL 56 -2.689 0.145 9.267 438 2HG2 VAL 56 2HG2 VAL 56 -3.746 -1.135 8.626 439 3HG2 VAL 56 3HG2 VAL 56 -4.421 0.132 9.677 440 H GLU 57 H GLU 57 -2.039 1.543 11.202 441 HA GLU 57 HA GLU 57 -1.393 1.872 13.967 442 1HB GLU 57 1HB GLU 57 -2.283 4.091 12.102 443 2HB GLU 57 2HB GLU 57 -1.198 4.193 13.474 444 1HG GLU 57 1HG GLU 57 0.047 2.304 11.807 445 2HG GLU 57 2HG GLU 57 -0.611 3.468 10.674 446 H GLU 58 H GLU 58 -2.818 3.604 15.224 447 HA GLU 58 HA GLU 58 -5.466 2.497 15.187 448 1HB GLU 58 1HB GLU 58 -3.904 3.035 17.262 449 2HB GLU 58 2HB GLU 58 -4.553 4.655 17.098 450 1HG GLU 58 1HG GLU 58 -6.112 3.700 18.559 451 2HG GLU 58 2HG GLU 58 -6.901 3.438 17.016 452 H GLY 59 H GLY 59 -4.403 4.387 13.029 453 1HA GLY 59 1HA GLY 59 -6.758 5.902 12.676 454 2HA GLY 59 2HA GLY 59 -5.490 6.942 13.292 455 H ASP 60 H ASP 60 -5.510 4.117 10.995 456 HA ASP 60 HA ASP 60 -4.032 5.840 9.170 457 1HB ASP 60 1HB ASP 60 -3.450 3.271 10.146 458 2HB ASP 60 2HB ASP 60 -4.101 2.951 8.551 459 H HIS 61 H HIS 61 -4.448 5.104 6.731 460 HA HIS 61 HA HIS 61 -7.331 4.931 6.432 461 1HB HIS 61 1HB HIS 61 -5.081 5.786 4.608 462 2HB HIS 61 2HB HIS 61 -6.701 5.499 4.003 463 HD1 HIS 61 1HD HIS 61 -8.622 7.123 4.889 464 HD2 HIS 61 2HD HIS 61 -4.713 8.199 5.964 465 HE1 HIS 61 1HE HIS 61 -8.740 9.544 5.687 466 H VAL 62 H VAL 62 -7.892 2.769 6.673 467 HA VAL 62 HA VAL 62 -6.306 0.722 5.466 468 HB VAL 62 HB VAL 62 -8.296 0.953 7.451 469 1HG1 VAL 62 1HG1 VAL 62 -9.142 -0.838 5.155 470 2HG1 VAL 62 2HG1 VAL 62 -9.764 -0.999 6.815 471 3HG1 VAL 62 3HG1 VAL 62 -10.057 0.497 5.896 472 1HG2 VAL 62 1HG2 VAL 62 -6.519 -0.408 7.987 473 2HG2 VAL 62 2HG2 VAL 62 -7.742 -1.632 7.569 474 3HG2 VAL 62 3HG2 VAL 62 -6.487 -1.188 6.387 475 H PHE 63 H PHE 63 -6.294 0.262 3.333 476 HA PHE 63 HA PHE 63 -8.763 0.848 1.855 477 1HB PHE 63 1HB PHE 63 -5.988 1.601 1.543 478 2HB PHE 63 2HB PHE 63 -6.326 0.458 0.259 479 HD1 PHE 63 1HD PHE 63 -6.004 3.742 0.700 480 HD2 PHE 63 2HD PHE 63 -8.994 1.029 -0.605 481 HE1 PHE 63 1HE PHE 63 -7.075 5.570 -0.645 482 HE2 PHE 63 2HE PHE 63 -10.065 2.857 -1.951 483 HZ PHE 63 HZ PHE 63 -9.093 5.106 -1.955 484 H GLU 64 H GLU 64 -9.877 -0.989 1.395 485 HA GLU 64 HA GLU 64 -8.583 -3.493 1.483 486 1HB GLU 64 1HB GLU 64 -11.373 -2.749 0.497 487 2HB GLU 64 2HB GLU 64 -10.823 -4.380 0.830 488 1HG GLU 64 1HG GLU 64 -10.308 -3.634 3.219 489 2HG GLU 64 2HG GLU 64 -11.068 -2.100 2.845 490 H TYR 65 H TYR 65 -7.846 -4.812 -0.188 491 HA TYR 65 HA TYR 65 -8.371 -3.909 -2.921 492 1HB TYR 65 1HB TYR 65 -5.956 -3.602 -1.367 493 2HB TYR 65 2HB TYR 65 -5.642 -4.938 -2.456 494 HD1 TYR 65 1HD TYR 65 -7.001 -4.189 -4.926 495 HD2 TYR 65 2HD TYR 65 -4.828 -1.736 -2.175 496 HE1 TYR 65 1HE TYR 65 -6.486 -2.540 -6.792 497 HE2 TYR 65 2HE TYR 65 -4.319 -0.096 -4.051 498 HH TYR 65 HH TYR 65 -5.940 -0.190 -7.015 499 H ASP 66 H ASP 66 -6.397 -5.825 -3.993 500 HA ASP 66 HA ASP 66 -8.077 -8.030 -4.118 501 1HB ASP 66 1HB ASP 66 -6.189 -7.182 -5.736 502 2HB ASP 66 2HB ASP 66 -5.098 -8.107 -4.724 503 H GLY 67 H GLY 67 -8.247 -8.318 -1.634 504 1HA GLY 67 1HA GLY 67 -7.831 -9.572 0.185 505 2HA GLY 67 2HA GLY 67 -6.744 -10.543 -0.787 506 H VAL 68 H VAL 68 -6.501 -6.999 -0.136 507 HA VAL 68 HA VAL 68 -4.376 -7.434 1.764 508 HB VAL 68 HB VAL 68 -3.848 -6.076 -0.887 509 1HG1 VAL 68 1HG1 VAL 68 -2.631 -4.952 0.854 510 2HG1 VAL 68 2HG1 VAL 68 -2.104 -6.499 1.559 511 3HG1 VAL 68 3HG1 VAL 68 -1.488 -5.990 -0.032 512 1HG2 VAL 68 1HG2 VAL 68 -2.206 -7.926 -1.224 513 2HG2 VAL 68 2HG2 VAL 68 -2.868 -8.727 0.221 514 3HG2 VAL 68 3HG2 VAL 68 -3.900 -8.471 -1.206 515 H LYS 69 H LYS 69 -4.016 -5.590 3.071 516 HA LYS 69 HA LYS 69 -5.923 -3.418 2.545 517 1HB LYS 69 1HB LYS 69 -4.893 -4.317 5.248 518 2HB LYS 69 2HB LYS 69 -6.154 -3.144 4.926 519 1HG LYS 69 1HG LYS 69 -7.533 -4.959 5.248 520 2HG LYS 69 2HG LYS 69 -7.195 -5.245 3.553 521 1HD LYS 69 1HD LYS 69 -6.218 -7.224 4.062 522 2HD LYS 69 2HD LYS 69 -5.027 -6.398 5.047 523 1HE LYS 69 1HE LYS 69 -6.077 -6.951 7.011 524 2HE LYS 69 2HE LYS 69 -7.672 -6.616 6.368 525 1HZ LYS 69 1HZ LYS 69 -7.210 -8.976 6.867 526 2HZ LYS 69 2HZ LYS 69 -7.712 -8.715 5.335 527 3HZ LYS 69 3HZ LYS 69 -6.135 -9.007 5.638 528 H VAL 70 H VAL 70 -5.119 -1.388 2.282 529 HA VAL 70 HA VAL 70 -2.233 -1.106 2.693 530 HB VAL 70 HB VAL 70 -4.226 0.316 0.927 531 1HG1 VAL 70 1HG1 VAL 70 -1.297 0.976 1.386 532 2HG1 VAL 70 2HG1 VAL 70 -2.314 1.658 0.095 533 3HG1 VAL 70 3HG1 VAL 70 -2.697 1.994 1.800 534 1HG2 VAL 70 1HG2 VAL 70 -1.732 -1.269 0.228 535 2HG2 VAL 70 2HG2 VAL 70 -3.391 -1.911 0.182 536 3HG2 VAL 70 3HG2 VAL 70 -2.921 -0.582 -0.904 537 H VAL 71 H VAL 71 -1.484 1.079 3.477 538 HA VAL 71 HA VAL 71 -3.467 2.482 5.071 539 HB VAL 71 HB VAL 71 -2.532 2.098 7.114 540 1HG1 VAL 71 1HG1 VAL 71 -1.966 -0.344 7.321 541 2HG1 VAL 71 2HG1 VAL 71 -3.472 -0.004 6.435 542 3HG1 VAL 71 3HG1 VAL 71 -1.995 -0.442 5.544 543 1HG2 VAL 71 1HG2 VAL 71 0.057 1.191 5.810 544 2HG2 VAL 71 2HG2 VAL 71 -0.252 2.814 6.473 545 3HG2 VAL 71 3HG2 VAL 71 -0.239 1.399 7.553 546 H ILE 72 H ILE 72 -2.651 4.610 5.812 547 HA ILE 72 HA ILE 72 -0.181 5.458 4.540 548 HB ILE 72 HB ILE 72 -2.728 6.981 4.038 549 1HG1 ILE 72 1HG1 ILE 72 -1.424 5.021 2.128 550 2HG1 ILE 72 2HG1 ILE 72 -2.867 4.675 3.060 551 1HG2 ILE 72 1HG2 ILE 72 -0.009 7.607 3.729 552 2HG2 ILE 72 2HG2 ILE 72 -0.614 7.268 2.090 553 3HG2 ILE 72 3HG2 ILE 72 -1.413 8.500 3.097 554 1HD1 ILE 72 1HD1 ILE 72 -2.897 7.238 1.510 555 2HD1 ILE 72 2HD1 ILE 72 -2.948 5.732 0.562 556 3HD1 ILE 72 3HD1 ILE 72 -4.202 6.058 1.783 557 H ASP 73 H ASP 73 0.908 6.117 6.327 558 HA ASP 73 HA ASP 73 0.008 6.740 8.708 559 1HB ASP 73 1HB ASP 73 2.103 8.506 7.378 560 2HB ASP 73 2HB ASP 73 2.017 8.052 9.069 561 HA PRO 74 HA PRO 74 -2.139 10.555 8.455 562 1HB PRO 74 1HB PRO 74 -1.717 11.668 10.915 563 2HB PRO 74 2HB PRO 74 -2.890 10.399 10.626 564 1HG PRO 74 1HG PRO 74 -0.243 10.213 11.929 565 2HG PRO 74 2HG PRO 74 -1.585 9.089 12.005 566 1HD PRO 74 1HD PRO 74 0.812 8.797 10.458 567 2HD PRO 74 2HD PRO 74 -0.580 7.732 10.446 568 H PHE 75 H PHE 75 1.221 10.603 9.039 569 HA PHE 75 HA PHE 75 1.388 13.453 8.661 570 1HB PHE 75 1HB PHE 75 2.909 11.352 9.816 571 2HB PHE 75 2HB PHE 75 3.819 11.753 8.373 572 HD1 PHE 75 1HD PHE 75 3.360 12.521 11.754 573 HD2 PHE 75 2HD PHE 75 4.229 14.352 8.026 574 HE1 PHE 75 1HE PHE 75 4.401 14.466 12.952 575 HE2 PHE 75 2HE PHE 75 5.270 16.297 9.223 576 HZ PHE 75 HZ PHE 75 5.343 16.331 11.672 577 H SER 76 H SER 76 1.612 10.472 6.751 578 HA SER 76 HA SER 76 2.863 11.874 4.580 579 1HB SER 76 1HB SER 76 2.530 9.583 3.429 580 2HB SER 76 2HB SER 76 3.633 9.645 4.789 581 HG SER 76 HG SER 76 1.968 7.849 4.731 582 H MET 77 H MET 77 -0.310 11.224 5.811 583 HA MET 77 HA MET 77 -1.772 10.895 3.523 584 1HB MET 77 1HB MET 77 -2.206 11.429 6.305 585 2HB MET 77 2HB MET 77 -3.113 12.661 5.450 586 1HG MET 77 1HG MET 77 -3.412 9.947 4.277 587 2HG MET 77 2HG MET 77 -3.994 10.063 5.926 588 1HE MET 77 1HE MET 77 -4.775 10.481 2.346 589 2HE MET 77 2HE MET 77 -5.749 11.962 2.183 590 3HE MET 77 3HE MET 77 -4.002 12.076 2.508 591 HA PRO 78 HA PRO 78 -1.971 15.628 3.233 592 1HB PRO 78 1HB PRO 78 -0.325 17.162 4.784 593 2HB PRO 78 2HB PRO 78 -1.984 16.798 5.216 594 1HG PRO 78 1HG PRO 78 0.511 15.674 6.334 595 2HG PRO 78 2HG PRO 78 -1.103 15.655 7.015 596 1HD PRO 78 1HD PRO 78 0.245 13.472 5.734 597 2HD PRO 78 2HD PRO 78 -1.410 13.488 6.311 598 H TYR 79 H TYR 79 0.562 13.633 3.013 599 HA TYR 79 HA TYR 79 2.045 15.551 1.347 600 1HB TYR 79 1HB TYR 79 2.788 13.887 3.499 601 2HB TYR 79 2HB TYR 79 3.181 12.880 2.120 602 HD1 TYR 79 1HD TYR 79 5.131 14.052 4.173 603 HD2 TYR 79 2HD TYR 79 3.850 15.419 0.327 604 HE1 TYR 79 1HE TYR 79 7.325 15.304 3.880 605 HE2 TYR 79 2HE TYR 79 6.047 16.667 0.046 606 HH TYR 79 HH TYR 79 8.052 17.366 2.535 607 H VAL 80 H VAL 80 -0.091 12.872 1.304 608 HA VAL 80 HA VAL 80 0.533 12.459 -1.506 609 HB VAL 80 HB VAL 80 0.642 10.102 -1.341 610 1HG1 VAL 80 1HG1 VAL 80 2.357 10.972 0.987 611 2HG1 VAL 80 2HG1 VAL 80 2.721 9.796 -0.299 612 3HG1 VAL 80 3HG1 VAL 80 2.684 11.537 -0.669 613 1HG2 VAL 80 1HG2 VAL 80 -0.545 10.546 1.324 614 2HG2 VAL 80 2HG2 VAL 80 -0.711 9.172 0.204 615 3HG2 VAL 80 3HG2 VAL 80 0.710 9.285 1.271 616 H ASN 81 H ASN 81 -1.494 14.053 -0.588 617 HA ASN 81 HA ASN 81 -3.825 12.391 -0.323 618 1HB ASN 81 1HB ASN 81 -4.979 14.715 -0.231 619 2HB ASN 81 2HB ASN 81 -3.878 14.341 1.080 620 1HD2 ASN 81 1HD2 ASN 81 -4.696 16.501 -1.347 621 2HD2 ASN 81 2HD2 ASN 81 -3.292 17.516 -1.346 622 H GLY 82 H GLY 82 -5.447 12.223 -1.975 623 1HA GLY 82 1HA GLY 82 -6.200 12.126 -4.095 624 2HA GLY 82 2HA GLY 82 -5.859 13.845 -4.138 625 H ALA 83 H ALA 83 -3.866 10.794 -4.110 626 HA ALA 83 HA ALA 83 -2.801 11.466 -6.699 627 1HB ALA 83 1HB ALA 83 -1.476 12.382 -4.349 628 2HB ALA 83 2HB ALA 83 -0.529 11.013 -4.981 629 3HB ALA 83 3HB ALA 83 -0.879 12.411 -6.026 630 H GLU 84 H GLU 84 -0.945 9.692 -7.162 631 HA GLU 84 HA GLU 84 -1.805 7.222 -5.888 632 1HB GLU 84 1HB GLU 84 -1.578 6.140 -8.215 633 2HB GLU 84 2HB GLU 84 -2.998 7.130 -7.940 634 1HG GLU 84 1HG GLU 84 -1.514 9.093 -8.909 635 2HG GLU 84 2HG GLU 84 -0.513 7.803 -9.546 636 H LEU 85 H LEU 85 -0.172 5.349 -6.697 637 HA LEU 85 HA LEU 85 2.514 6.496 -6.875 638 1HB LEU 85 1HB LEU 85 2.794 6.060 -4.717 639 2HB LEU 85 2HB LEU 85 1.344 5.081 -4.619 640 HG LEU 85 HG LEU 85 2.568 3.135 -5.479 641 1HD1 LEU 85 1HD1 LEU 85 4.561 5.150 -6.143 642 2HD1 LEU 85 2HD1 LEU 85 5.260 3.783 -5.242 643 3HD1 LEU 85 3HD1 LEU 85 4.360 3.488 -6.750 644 1HD2 LEU 85 1HD2 LEU 85 2.449 3.662 -3.032 645 2HD2 LEU 85 2HD2 LEU 85 3.830 2.647 -3.511 646 3HD2 LEU 85 3HD2 LEU 85 4.074 4.376 -3.164 647 H ASP 86 H ASP 86 3.201 5.815 -8.839 648 HA ASP 86 HA ASP 86 2.318 3.209 -9.714 649 1HB ASP 86 1HB ASP 86 2.142 5.117 -11.286 650 2HB ASP 86 2HB ASP 86 3.856 5.442 -11.121 651 H TYR 87 H TYR 87 3.782 1.455 -9.917 652 HA TYR 87 HA TYR 87 6.387 1.837 -8.726 653 1HB TYR 87 1HB TYR 87 4.762 -0.096 -8.282 654 2HB TYR 87 2HB TYR 87 4.892 -0.558 -9.968 655 HD1 TYR 87 1HD TYR 87 7.082 -1.434 -10.852 656 HD2 TYR 87 2HD TYR 87 6.417 -0.750 -6.681 657 HE1 TYR 87 1HE TYR 87 9.069 -2.916 -10.284 658 HE2 TYR 87 2HE TYR 87 8.406 -2.234 -6.128 659 HH TYR 87 HH TYR 87 9.934 -3.550 -6.896 660 H VAL 88 H VAL 88 7.813 2.856 -10.120 661 HA VAL 88 HA VAL 88 7.956 1.808 -12.846 662 HB VAL 88 HB VAL 88 8.837 4.341 -11.488 663 1HG1 VAL 88 1HG1 VAL 88 9.916 4.982 -13.669 664 2HG1 VAL 88 2HG1 VAL 88 10.782 3.726 -12.751 665 3HG1 VAL 88 3HG1 VAL 88 9.795 3.275 -14.162 666 1HG2 VAL 88 1HG2 VAL 88 7.670 5.158 -13.730 667 2HG2 VAL 88 2HG2 VAL 88 6.901 3.556 -13.632 668 3HG2 VAL 88 3HG2 VAL 88 6.719 4.713 -12.292 669 H VAL 89 H VAL 89 10.071 1.247 -13.756 670 HA VAL 89 HA VAL 89 12.016 0.522 -11.680 671 HB VAL 89 HB VAL 89 11.091 -1.146 -14.027 672 1HG1 VAL 89 1HG1 VAL 89 13.489 -1.285 -12.284 673 2HG1 VAL 89 2HG1 VAL 89 12.624 -2.819 -12.545 674 3HG1 VAL 89 3HG1 VAL 89 13.231 -1.890 -13.937 675 1HG2 VAL 89 1HG2 VAL 89 10.026 -0.892 -11.424 676 2HG2 VAL 89 2HG2 VAL 89 9.638 -2.125 -12.648 677 3HG2 VAL 89 3HG2 VAL 89 10.916 -2.433 -11.449 678 H ASP 90 H ASP 90 14.052 1.249 -12.081 679 HA ASP 90 HA ASP 90 14.980 1.492 -14.735 680 1HB ASP 90 1HB ASP 90 14.571 4.043 -13.103 681 2HB ASP 90 2HB ASP 90 15.439 3.955 -14.623 682 H PHE 91 H PHE 91 17.116 3.358 -14.219 683 HA PHE 91 HA PHE 91 19.220 3.125 -13.486 684 1HB PHE 91 1HB PHE 91 17.582 4.470 -11.782 685 2HB PHE 91 2HB PHE 91 17.988 3.152 -10.701 686 HD1 PHE 91 1HD PHE 91 19.966 5.195 -13.132 687 HD2 PHE 91 2HD PHE 91 19.544 3.808 -9.144 688 HE1 PHE 91 1HE PHE 91 22.093 6.368 -12.499 689 HE2 PHE 91 2HE PHE 91 21.670 4.981 -8.511 690 HZ PHE 91 HZ PHE 91 22.920 6.247 -10.196 691 H MET 92 H MET 92 19.675 2.187 -10.534 692 HA MET 92 HA MET 92 20.506 -0.381 -11.239 693 1HB MET 92 1HB MET 92 21.295 -0.481 -8.939 694 2HB MET 92 2HB MET 92 21.456 1.193 -9.431 695 1HG MET 92 1HG MET 92 19.113 1.583 -8.402 696 2HG MET 92 2HG MET 92 19.252 -0.019 -7.704 697 1HE MET 92 1HE MET 92 19.746 -0.424 -5.825 698 2HE MET 92 2HE MET 92 21.294 -0.083 -5.016 699 3HE MET 92 3HE MET 92 19.857 0.897 -4.638 700 H GLY 93 H GLY 93 17.429 0.855 -10.285 701 1HA GLY 93 1HA GLY 93 15.885 -1.261 -10.651 702 2HA GLY 93 2HA GLY 93 16.532 -1.641 -9.067 703 H GLY 94 H GLY 94 13.958 -0.199 -10.636 704 1HA GLY 94 1HA GLY 94 13.537 1.924 -8.666 705 2HA GLY 94 2HA GLY 94 12.609 1.622 -10.122 706 H GLY 95 H GLY 95 10.647 1.786 -8.783 707 1HA GLY 95 1HA GLY 95 9.198 -0.318 -8.296 708 2HA GLY 95 2HA GLY 95 10.240 -0.421 -6.890 709 H PHE 96 H PHE 96 10.363 2.774 -7.228 710 HA PHE 96 HA PHE 96 7.746 3.269 -6.003 711 1HB PHE 96 1HB PHE 96 10.320 4.665 -5.152 712 2HB PHE 96 2HB PHE 96 8.857 4.441 -4.213 713 HD1 PHE 96 1HD PHE 96 12.061 3.661 -4.019 714 HD2 PHE 96 2HD PHE 96 8.368 1.592 -4.313 715 HE1 PHE 96 1HE PHE 96 13.089 1.667 -2.894 716 HE2 PHE 96 2HE PHE 96 9.396 -0.402 -3.188 717 HZ PHE 96 HZ PHE 96 11.744 -0.341 -2.492 718 H THR 97 H THR 97 6.724 4.547 -7.492 719 HA THR 97 HA THR 97 8.074 7.021 -8.230 720 HB THR 97 HB THR 97 7.340 4.756 -10.082 721 HG1 THR 97 1HG THR 97 9.550 5.327 -9.744 722 1HG2 THR 97 1HG2 THR 97 6.934 7.725 -10.635 723 2HG2 THR 97 2HG2 THR 97 7.440 6.616 -11.932 724 3HG2 THR 97 3HG2 THR 97 5.887 6.363 -11.101 725 H ILE 98 H ILE 98 6.716 8.765 -8.430 726 HA ILE 98 HA ILE 98 3.854 8.162 -8.262 727 HB ILE 98 HB ILE 98 5.454 9.989 -6.478 728 1HG1 ILE 98 1HG1 ILE 98 3.703 8.511 -4.940 729 2HG1 ILE 98 2HG1 ILE 98 4.153 7.368 -6.190 730 1HG2 ILE 98 1HG2 ILE 98 3.226 10.652 -5.522 731 2HG2 ILE 98 2HG2 ILE 98 3.582 11.301 -7.141 732 3HG2 ILE 98 3HG2 ILE 98 2.468 9.924 -6.959 733 1HD1 ILE 98 1HD1 ILE 98 6.524 7.654 -5.717 734 2HD1 ILE 98 2HD1 ILE 98 6.186 9.011 -4.616 735 3HD1 ILE 98 3HD1 ILE 98 5.688 7.360 -4.174 736 H ARG 99 H ARG 99 2.501 9.621 -9.361 737 HA ARG 99 HA ARG 99 3.957 11.678 -10.816 738 1HB ARG 99 1HB ARG 99 2.490 11.220 -12.788 739 2HB ARG 99 2HB ARG 99 3.443 9.814 -12.357 740 1HG ARG 99 1HG ARG 99 1.515 8.628 -12.232 741 2HG ARG 99 2HG ARG 99 1.098 9.555 -10.804 742 1HD ARG 99 1HD ARG 99 -0.585 10.597 -11.918 743 2HD ARG 99 2HD ARG 99 0.534 11.184 -13.133 744 HE ARG 99 HE ARG 99 -0.063 8.378 -13.553 745 1HH1 ARG 99 2HH2 ARG 99 -1.369 11.613 -14.006 746 2HH1 ARG 99 1HH2 ARG 99 -2.376 11.159 -15.340 747 1HH2 ARG 99 2HH1 ARG 99 -1.390 7.777 -15.313 748 2HH2 ARG 99 1HH1 ARG 99 -2.388 8.962 -16.089 749 H ASN 100 H ASN 100 3.073 13.716 -10.554 750 HA ASN 100 HA ASN 100 0.490 13.811 -9.252 751 1HB ASN 100 1HB ASN 100 1.098 16.102 -8.626 752 2HB ASN 100 2HB ASN 100 2.468 15.065 -8.278 753 1HD2 ASN 100 1HD2 ASN 100 4.349 15.267 -9.378 754 2HD2 ASN 100 2HD2 ASN 100 4.693 16.520 -10.524 755 HA PRO 101 HA PRO 101 -1.228 15.342 -12.996 756 1HB PRO 101 1HB PRO 101 -3.607 16.317 -12.068 757 2HB PRO 101 2HB PRO 101 -3.336 14.621 -12.413 758 1HG PRO 101 1HG PRO 101 -3.487 15.977 -9.791 759 2HG PRO 101 2HG PRO 101 -3.644 14.269 -10.155 760 1HD PRO 101 1HD PRO 101 -1.355 15.581 -9.028 761 2HD PRO 101 2HD PRO 101 -1.472 13.897 -9.500 Start of MODEL 11 1 H MET 1 H MET 1 -19.699 6.293 15.937 2 HA MET 1 HA MET 1 -20.526 6.854 18.161 3 1HB MET 1 1HB MET 1 -21.884 4.311 17.625 4 2HB MET 1 2HB MET 1 -20.970 4.180 19.115 5 1HG MET 1 1HG MET 1 -22.051 6.383 19.864 6 2HG MET 1 2HG MET 1 -23.083 6.284 18.451 7 1HE MET 1 1HE MET 1 -24.342 6.136 21.677 8 2HE MET 1 2HE MET 1 -24.893 6.577 20.044 9 3HE MET 1 3HE MET 1 -25.700 5.262 20.930 10 H GLN 2 H GLN 2 -18.222 7.261 18.120 11 HA GLN 2 HA GLN 2 -16.216 6.979 18.918 12 1HB GLN 2 1HB GLN 2 -17.630 5.432 20.644 13 2HB GLN 2 2HB GLN 2 -16.615 4.189 19.941 14 1HG GLN 2 1HG GLN 2 -14.940 4.853 21.316 15 2HG GLN 2 2HG GLN 2 -14.855 6.357 20.420 16 1HE2 GLN 2 1HE2 GLN 2 -14.101 6.716 22.811 17 2HE2 GLN 2 2HE2 GLN 2 -15.285 7.411 23.866 18 H GLU 3 H GLU 3 -15.835 6.874 16.501 19 HA GLU 3 HA GLU 3 -14.488 4.370 15.934 20 1HB GLU 3 1HB GLU 3 -16.727 5.602 14.358 21 2HB GLU 3 2HB GLU 3 -15.406 4.899 13.445 22 1HG GLU 3 1HG GLU 3 -16.407 3.230 15.713 23 2HG GLU 3 2HG GLU 3 -17.550 3.469 14.406 24 H GLN 4 H GLN 4 -12.773 4.593 14.267 25 HA GLN 4 HA GLN 4 -11.865 7.361 14.176 26 1HB GLN 4 1HB GLN 4 -10.519 4.789 14.703 27 2HB GLN 4 2HB GLN 4 -9.678 5.753 13.505 28 1HG GLN 4 1HG GLN 4 -8.813 6.386 15.681 29 2HG GLN 4 2HG GLN 4 -9.776 7.727 15.091 30 1HE2 GLN 4 1HE2 GLN 4 -10.036 4.731 16.988 31 2HE2 GLN 4 2HE2 GLN 4 -11.161 5.312 18.170 32 H ALA 5 H ALA 5 -12.418 8.271 12.233 33 HA ALA 5 HA ALA 5 -13.040 6.868 9.941 34 1HB ALA 5 1HB ALA 5 -13.253 9.425 10.742 35 2HB ALA 5 2HB ALA 5 -11.817 9.590 9.704 36 3HB ALA 5 3HB ALA 5 -13.336 8.957 9.027 37 H GLN 6 H GLN 6 -11.752 5.460 8.859 38 HA GLN 6 HA GLN 6 -9.003 6.339 8.434 39 1HB GLN 6 1HB GLN 6 -8.347 3.912 8.469 40 2HB GLN 6 2HB GLN 6 -8.930 4.499 10.014 41 1HG GLN 6 1HG GLN 6 -11.099 3.448 8.293 42 2HG GLN 6 2HG GLN 6 -9.880 2.244 8.661 43 1HE2 GLN 6 1HE2 GLN 6 -9.068 2.470 11.057 44 2HE2 GLN 6 2HE2 GLN 6 -10.315 2.481 12.260 45 H GLN 7 H GLN 7 -11.049 7.079 6.680 46 HA GLN 7 HA GLN 7 -10.540 5.258 4.457 47 1HB GLN 7 1HB GLN 7 -12.756 5.822 3.553 48 2HB GLN 7 2HB GLN 7 -12.913 5.163 5.169 49 1HG GLN 7 1HG GLN 7 -12.654 7.853 5.736 50 2HG GLN 7 2HG GLN 7 -13.468 7.924 4.186 51 1HE2 GLN 7 1HE2 GLN 7 -15.051 8.913 5.767 52 2HE2 GLN 7 2HE2 GLN 7 -16.253 7.870 6.450 53 H PHE 8 H PHE 8 -8.963 6.257 3.256 54 HA PHE 8 HA PHE 8 -9.378 9.114 2.713 55 1HB PHE 8 1HB PHE 8 -6.748 7.541 2.623 56 2HB PHE 8 2HB PHE 8 -6.931 9.282 2.700 57 HD1 PHE 8 1HD PHE 8 -7.691 6.219 4.689 58 HD2 PHE 8 2HD PHE 8 -6.710 10.347 4.745 59 HE1 PHE 8 1HE PHE 8 -7.469 6.132 7.187 60 HE2 PHE 8 2HE PHE 8 -6.489 10.261 7.243 61 HZ PHE 8 HZ PHE 8 -6.871 8.154 8.435 62 H ILE 9 H ILE 9 -8.524 9.852 0.569 63 HA ILE 9 HA ILE 9 -9.226 7.888 -1.430 64 HB ILE 9 HB ILE 9 -8.497 10.807 -1.695 65 1HG1 ILE 9 1HG1 ILE 9 -10.505 10.286 -0.240 66 2HG1 ILE 9 2HG1 ILE 9 -10.788 11.342 -1.609 67 1HG2 ILE 9 1HG2 ILE 9 -10.179 10.019 -3.786 68 2HG2 ILE 9 2HG2 ILE 9 -8.441 10.395 -3.877 69 3HG2 ILE 9 3HG2 ILE 9 -8.977 8.714 -3.639 70 1HD1 ILE 9 1HD1 ILE 9 -11.154 8.657 -2.549 71 2HD1 ILE 9 2HD1 ILE 9 -12.036 8.811 -1.011 72 3HD1 ILE 9 3HD1 ILE 9 -12.387 9.927 -2.353 73 H PHE 10 H PHE 10 -7.755 6.546 -2.308 74 HA PHE 10 HA PHE 10 -5.174 7.603 -3.018 75 1HB PHE 10 1HB PHE 10 -5.214 6.693 -0.537 76 2HB PHE 10 2HB PHE 10 -5.441 5.109 -1.250 77 HD1 PHE 10 1HD PHE 10 -3.547 3.828 -1.457 78 HD2 PHE 10 2HD PHE 10 -3.175 8.045 -1.743 79 HE1 PHE 10 1HE PHE 10 -1.062 3.591 -1.722 80 HE2 PHE 10 2HE PHE 10 -0.690 7.808 -2.008 81 HZ PHE 10 HZ PHE 10 0.336 5.584 -1.994 82 H LYS 11 H LYS 11 -5.033 6.973 -5.118 83 HA LYS 11 HA LYS 11 -6.120 4.332 -5.785 84 1HB LYS 11 1HB LYS 11 -5.661 6.785 -7.508 85 2HB LYS 11 2HB LYS 11 -6.176 5.227 -8.121 86 1HG LYS 11 1HG LYS 11 -7.691 6.667 -5.904 87 2HG LYS 11 2HG LYS 11 -8.033 6.955 -7.598 88 1HD LYS 11 1HD LYS 11 -8.725 4.682 -7.964 89 2HD LYS 11 2HD LYS 11 -8.004 4.132 -6.464 90 1HE LYS 11 1HE LYS 11 -9.814 4.775 -5.204 91 2HE LYS 11 2HE LYS 11 -10.018 6.279 -6.079 92 1HZ LYS 11 1HZ LYS 11 -11.122 3.671 -6.661 93 2HZ LYS 11 2HZ LYS 11 -11.809 5.147 -6.798 94 3HZ LYS 11 3HZ LYS 11 -10.763 4.623 -7.938 95 H VAL 12 H VAL 12 -4.667 2.729 -6.018 96 HA VAL 12 HA VAL 12 -1.958 3.522 -6.839 97 HB VAL 12 HB VAL 12 -2.587 2.488 -4.466 98 1HG1 VAL 12 1HG1 VAL 12 -2.441 0.129 -4.337 99 2HG1 VAL 12 2HG1 VAL 12 -3.603 0.460 -5.644 100 3HG1 VAL 12 3HG1 VAL 12 -1.934 -0.016 -6.037 101 1HG2 VAL 12 1HG2 VAL 12 -0.364 3.189 -5.023 102 2HG2 VAL 12 2HG2 VAL 12 -0.260 1.522 -4.409 103 3HG2 VAL 12 3HG2 VAL 12 -0.156 1.835 -6.159 104 H THR 13 H THR 13 -1.047 2.484 -8.596 105 HA THR 13 HA THR 13 -2.762 1.266 -10.435 106 HB THR 13 HB THR 13 -0.606 0.847 -11.648 107 HG1 THR 13 1HG THR 13 1.172 0.656 -10.338 108 1HG2 THR 13 1HG2 THR 13 -0.833 3.104 -12.064 109 2HG2 THR 13 2HG2 THR 13 -1.267 3.456 -10.374 110 3HG2 THR 13 3HG2 THR 13 0.444 3.290 -10.837 111 H ASP 14 H ASP 14 -2.193 -0.967 -11.468 112 HA ASP 14 HA ASP 14 -2.791 -2.833 -9.442 113 1HB ASP 14 1HB ASP 14 -2.847 -2.678 -12.336 114 2HB ASP 14 2HB ASP 14 -2.013 -4.150 -11.881 115 H LYS 15 H LYS 15 0.080 -1.711 -11.197 116 HA LYS 15 HA LYS 15 1.696 -3.980 -10.807 117 1HB LYS 15 1HB LYS 15 1.877 -1.593 -12.191 118 2HB LYS 15 2HB LYS 15 3.078 -1.392 -10.931 119 1HG LYS 15 1HG LYS 15 4.018 -3.673 -11.539 120 2HG LYS 15 2HG LYS 15 2.885 -3.741 -12.874 121 1HD LYS 15 1HD LYS 15 4.060 -1.234 -13.224 122 2HD LYS 15 2HD LYS 15 5.397 -2.188 -12.612 123 1HE LYS 15 1HE LYS 15 3.638 -3.253 -14.852 124 2HE LYS 15 2HE LYS 15 4.957 -2.154 -15.201 125 1HZ LYS 15 1HZ LYS 15 6.271 -3.899 -15.109 126 2HZ LYS 15 2HZ LYS 15 5.977 -4.049 -13.509 127 3HZ LYS 15 3HZ LYS 15 5.076 -4.882 -14.587 128 H ALA 16 H ALA 16 1.072 -1.000 -8.882 129 HA ALA 16 HA ALA 16 3.037 -1.519 -6.945 130 1HB ALA 16 1HB ALA 16 1.650 0.628 -7.523 131 2HB ALA 16 2HB ALA 16 0.457 -0.050 -6.390 132 3HB ALA 16 3HB ALA 16 2.106 0.318 -5.830 133 H VAL 17 H VAL 17 -0.522 -2.218 -7.081 134 HA VAL 17 HA VAL 17 -0.716 -3.402 -4.591 135 HB VAL 17 HB VAL 17 -2.225 -3.442 -7.149 136 1HG1 VAL 17 1HG1 VAL 17 -2.502 -5.727 -6.807 137 2HG1 VAL 17 2HG1 VAL 17 -2.456 -5.573 -5.034 138 3HG1 VAL 17 3HG1 VAL 17 -3.894 -5.039 -5.937 139 1HG2 VAL 17 1HG2 VAL 17 -2.574 -2.517 -4.344 140 2HG2 VAL 17 2HG2 VAL 17 -3.045 -1.746 -5.878 141 3HG2 VAL 17 3HG2 VAL 17 -4.043 -3.052 -5.195 142 H GLU 18 H GLU 18 0.045 -4.865 -7.818 143 HA GLU 18 HA GLU 18 0.229 -7.455 -6.863 144 1HB GLU 18 1HB GLU 18 1.231 -5.989 -9.298 145 2HB GLU 18 2HB GLU 18 1.845 -7.603 -8.996 146 1HG GLU 18 1HG GLU 18 -0.398 -8.552 -9.013 147 2HG GLU 18 2HG GLU 18 -1.137 -6.963 -9.003 148 H GLU 19 H GLU 19 2.630 -4.790 -7.103 149 HA GLU 19 HA GLU 19 4.895 -6.231 -6.620 150 1HB GLU 19 1HB GLU 19 5.172 -3.961 -7.225 151 2HB GLU 19 2HB GLU 19 4.061 -3.390 -5.996 152 1HG GLU 19 1HG GLU 19 6.323 -2.862 -5.268 153 2HG GLU 19 2HG GLU 19 5.696 -4.118 -4.219 154 H ILE 20 H ILE 20 2.275 -5.288 -4.424 155 HA ILE 20 HA ILE 20 3.711 -5.668 -2.025 156 HB ILE 20 HB ILE 20 0.736 -5.915 -2.441 157 1HG1 ILE 20 1HG1 ILE 20 1.062 -3.896 -3.490 158 2HG1 ILE 20 2HG1 ILE 20 0.861 -3.380 -1.828 159 1HG2 ILE 20 1HG2 ILE 20 0.921 -6.376 -0.245 160 2HG2 ILE 20 2HG2 ILE 20 2.541 -5.651 -0.114 161 3HG2 ILE 20 3HG2 ILE 20 1.096 -4.611 -0.095 162 1HD1 ILE 20 1HD1 ILE 20 3.369 -3.488 -3.496 163 2HD1 ILE 20 2HD1 ILE 20 2.796 -2.211 -2.397 164 3HD1 ILE 20 3HD1 ILE 20 3.513 -3.699 -1.735 165 H LYS 21 H LYS 21 1.892 -7.803 -4.244 166 HA LYS 21 HA LYS 21 1.920 -10.006 -2.439 167 1HB LYS 21 1HB LYS 21 1.387 -9.870 -5.422 168 2HB LYS 21 2HB LYS 21 1.103 -11.268 -4.406 169 1HG LYS 21 1HG LYS 21 -0.798 -10.376 -3.476 170 2HG LYS 21 2HG LYS 21 -0.106 -8.771 -3.347 171 1HD LYS 21 1HD LYS 21 -1.054 -8.093 -5.303 172 2HD LYS 21 2HD LYS 21 -0.501 -9.519 -6.158 173 1HE LYS 21 1HE LYS 21 -2.643 -10.193 -4.263 174 2HE LYS 21 2HE LYS 21 -3.158 -8.939 -5.375 175 1HZ LYS 21 1HZ LYS 21 -3.502 -10.639 -6.736 176 2HZ LYS 21 2HZ LYS 21 -1.888 -10.651 -6.984 177 3HZ LYS 21 3HZ LYS 21 -2.555 -11.675 -5.901 178 H LYS 22 H LYS 22 4.138 -8.589 -4.787 179 HA LYS 22 HA LYS 22 5.675 -10.913 -5.227 180 1HB LYS 22 1HB LYS 22 5.628 -8.190 -6.094 181 2HB LYS 22 2HB LYS 22 7.246 -8.540 -5.521 182 1HG LYS 22 1HG LYS 22 6.932 -10.794 -6.915 183 2HG LYS 22 2HG LYS 22 5.697 -9.874 -7.751 184 1HD LYS 22 1HD LYS 22 7.393 -9.080 -9.049 185 2HD LYS 22 2HD LYS 22 7.791 -8.053 -7.686 186 1HE LYS 22 1HE LYS 22 9.347 -9.801 -6.812 187 2HE LYS 22 2HE LYS 22 8.935 -10.850 -8.154 188 1HZ LYS 22 1HZ LYS 22 10.879 -9.726 -8.739 189 2HZ LYS 22 2HZ LYS 22 9.706 -8.997 -9.610 190 3HZ LYS 22 3HZ LYS 22 10.311 -8.265 -8.281 191 H VAL 23 H VAL 23 5.514 -8.471 -2.659 192 HA VAL 23 HA VAL 23 8.009 -9.419 -1.520 193 HB VAL 23 HB VAL 23 6.117 -7.154 -1.063 194 1HG1 VAL 23 1HG1 VAL 23 7.865 -8.420 1.034 195 2HG1 VAL 23 2HG1 VAL 23 7.616 -6.658 1.024 196 3HG1 VAL 23 3HG1 VAL 23 6.221 -7.753 1.177 197 1HG2 VAL 23 1HG2 VAL 23 7.780 -6.229 -2.258 198 2HG2 VAL 23 2HG2 VAL 23 8.704 -6.260 -0.737 199 3HG2 VAL 23 3HG2 VAL 23 8.897 -7.574 -1.922 200 H ALA 24 H ALA 24 4.479 -9.697 -1.141 201 HA ALA 24 HA ALA 24 4.644 -10.916 1.434 202 1HB ALA 24 1HB ALA 24 2.255 -11.387 -0.260 203 2HB ALA 24 2HB ALA 24 2.379 -10.716 1.384 204 3HB ALA 24 3HB ALA 24 2.686 -9.675 -0.027 205 H GLN 25 H GLN 25 4.352 -12.019 -1.988 206 HA GLN 25 HA GLN 25 3.882 -14.660 -1.487 207 1HB GLN 25 1HB GLN 25 4.675 -15.066 -3.751 208 2HB GLN 25 2HB GLN 25 3.815 -13.539 -3.727 209 1HG GLN 25 1HG GLN 25 5.897 -12.271 -3.697 210 2HG GLN 25 2HG GLN 25 6.845 -13.719 -3.420 211 1HE2 GLN 25 1HE2 GLN 25 7.836 -12.533 -5.372 212 2HE2 GLN 25 2HE2 GLN 25 7.355 -13.096 -6.938 213 H GLU 26 H GLU 26 6.793 -12.758 -0.990 214 HA GLU 26 HA GLU 26 8.428 -15.126 -0.863 215 1HB GLU 26 1HB GLU 26 8.875 -12.315 -1.329 216 2HB GLU 26 2HB GLU 26 9.824 -12.788 0.066 217 1HG GLU 26 1HG GLU 26 9.941 -14.786 -2.111 218 2HG GLU 26 2HG GLU 26 10.519 -13.210 -2.616 219 H ASN 27 H ASN 27 6.197 -13.668 1.128 220 HA ASN 27 HA ASN 27 7.707 -14.481 3.486 221 1HB ASN 27 1HB ASN 27 5.806 -12.142 3.053 222 2HB ASN 27 2HB ASN 27 6.032 -12.797 4.663 223 1HD2 ASN 27 1HD2 ASN 27 7.283 -10.840 2.176 224 2HD2 ASN 27 2HD2 ASN 27 8.787 -10.379 2.901 225 H ASN 28 H ASN 28 5.325 -15.336 1.362 226 HA ASN 28 HA ASN 28 3.546 -16.575 1.391 227 1HB ASN 28 1HB ASN 28 5.223 -17.924 2.952 228 2HB ASN 28 2HB ASN 28 4.125 -17.469 4.240 229 1HD2 ASN 28 1HD2 ASN 28 3.327 -19.449 4.676 230 2HD2 ASN 28 2HD2 ASN 28 2.339 -20.382 3.603 231 H ILE 29 H ILE 29 3.214 -13.844 2.289 232 HA ILE 29 HA ILE 29 1.314 -14.069 4.500 233 HB ILE 29 HB ILE 29 2.775 -11.742 3.262 234 1HG1 ILE 29 1HG1 ILE 29 2.840 -12.956 6.040 235 2HG1 ILE 29 2HG1 ILE 29 4.071 -13.144 4.808 236 1HG2 ILE 29 1HG2 ILE 29 0.442 -11.764 5.168 237 2HG2 ILE 29 2HG2 ILE 29 1.636 -10.444 5.168 238 3HG2 ILE 29 3HG2 ILE 29 0.691 -10.789 3.700 239 1HD1 ILE 29 1HD1 ILE 29 3.562 -10.870 6.613 240 2HD1 ILE 29 2HD1 ILE 29 5.039 -11.296 5.716 241 3HD1 ILE 29 3HD1 ILE 29 3.745 -10.373 4.914 242 H GLU 30 H GLU 30 -0.850 -13.983 4.157 243 HA GLU 30 HA GLU 30 -1.654 -13.488 1.416 244 1HB GLU 30 1HB GLU 30 -2.439 -15.377 3.428 245 2HB GLU 30 2HB GLU 30 -3.835 -14.371 3.096 246 1HG GLU 30 1HG GLU 30 -3.908 -14.981 0.811 247 2HG GLU 30 2HG GLU 30 -2.220 -15.448 0.773 248 H ASN 31 H ASN 31 -1.063 -11.588 3.950 249 HA ASN 31 HA ASN 31 -3.185 -9.797 3.214 250 1HB ASN 31 1HB ASN 31 -3.348 -9.287 5.844 251 2HB ASN 31 2HB ASN 31 -4.341 -10.534 5.114 252 1HD2 ASN 31 1HD2 ASN 31 -2.038 -9.790 7.445 253 2HD2 ASN 31 2HD2 ASN 31 -1.601 -11.384 7.964 254 HA PRO 32 HA PRO 32 0.988 -8.034 4.022 255 1HB PRO 32 1HB PRO 32 1.513 -7.063 1.522 256 2HB PRO 32 2HB PRO 32 2.075 -8.626 2.081 257 1HG PRO 32 1HG PRO 32 -0.130 -8.009 0.211 258 2HG PRO 32 2HG PRO 32 0.713 -9.526 0.451 259 1HD PRO 32 1HD PRO 32 -1.901 -8.846 1.414 260 2HD PRO 32 2HD PRO 32 -1.010 -10.317 1.751 261 H ILE 33 H ILE 33 0.798 -6.301 5.284 262 HA ILE 33 HA ILE 33 -0.949 -4.210 4.218 263 HB ILE 33 HB ILE 33 -0.003 -4.895 6.995 264 1HG1 ILE 33 1HG1 ILE 33 -2.786 -4.714 5.803 265 2HG1 ILE 33 2HG1 ILE 33 -1.888 -6.202 6.029 266 1HG2 ILE 33 1HG2 ILE 33 -0.598 -2.295 5.965 267 2HG2 ILE 33 2HG2 ILE 33 -1.902 -2.786 7.073 268 3HG2 ILE 33 3HG2 ILE 33 -0.212 -2.784 7.632 269 1HD1 ILE 33 1HD1 ILE 33 -3.457 -5.804 7.911 270 2HD1 ILE 33 2HD1 ILE 33 -1.769 -5.787 8.476 271 3HD1 ILE 33 3HD1 ILE 33 -2.650 -4.256 8.257 272 H LEU 34 H LEU 34 0.304 -3.016 2.812 273 HA LEU 34 HA LEU 34 2.970 -2.264 3.692 274 1HB LEU 34 1HB LEU 34 1.477 -1.982 1.088 275 2HB LEU 34 2HB LEU 34 3.037 -1.238 1.377 276 HG LEU 34 HG LEU 34 2.791 -3.596 0.192 277 1HD1 LEU 34 1HD1 LEU 34 5.043 -3.775 0.376 278 2HD1 LEU 34 2HD1 LEU 34 4.862 -2.142 1.060 279 3HD1 LEU 34 3HD1 LEU 34 5.036 -3.545 2.141 280 1HD2 LEU 34 1HD2 LEU 34 3.276 -5.424 1.844 281 2HD2 LEU 34 2HD2 LEU 34 2.803 -4.295 3.137 282 3HD2 LEU 34 3HD2 LEU 34 1.619 -4.778 1.898 283 H ARG 35 H ARG 35 3.576 -0.193 4.284 284 HA ARG 35 HA ARG 35 1.354 1.686 4.410 285 1HB ARG 35 1HB ARG 35 2.198 2.513 6.503 286 2HB ARG 35 2HB ARG 35 2.284 0.768 6.634 287 1HG ARG 35 1HG ARG 35 4.748 1.259 5.551 288 2HG ARG 35 2HG ARG 35 4.503 2.769 6.405 289 1HD ARG 35 1HD ARG 35 3.668 0.692 8.194 290 2HD ARG 35 2HD ARG 35 5.181 0.156 7.491 291 HE ARG 35 HE ARG 35 4.881 2.252 9.422 292 1HH1 ARG 35 2HH2 ARG 35 6.677 1.517 6.487 293 2HH1 ARG 35 1HH2 ARG 35 8.019 2.530 6.902 294 1HH2 ARG 35 2HH1 ARG 35 6.652 3.588 9.971 295 2HH2 ARG 35 1HH1 ARG 35 8.005 3.716 8.897 296 H ILE 36 H ILE 36 1.764 3.861 3.754 297 HA ILE 36 HA ILE 36 4.189 4.165 2.189 298 HB ILE 36 HB ILE 36 1.521 5.497 2.316 299 1HG1 ILE 36 1HG1 ILE 36 1.790 3.641 0.793 300 2HG1 ILE 36 2HG1 ILE 36 1.613 5.128 -0.118 301 1HG2 ILE 36 1HG2 ILE 36 4.086 6.788 1.432 302 2HG2 ILE 36 2HG2 ILE 36 2.551 7.172 0.617 303 3HG2 ILE 36 3HG2 ILE 36 2.731 7.469 2.363 304 1HD1 ILE 36 1HD1 ILE 36 4.310 5.118 0.070 305 2HD1 ILE 36 2HD1 ILE 36 4.020 3.366 0.202 306 3HD1 ILE 36 3HD1 ILE 36 3.446 4.258 -1.228 307 H ARG 37 H ARG 37 5.809 5.673 2.594 308 HA ARG 37 HA ARG 37 5.411 7.421 4.843 309 1HB ARG 37 1HB ARG 37 6.459 5.177 5.630 310 2HB ARG 37 2HB ARG 37 7.884 5.635 4.719 311 1HG ARG 37 1HG ARG 37 7.020 7.881 6.362 312 2HG ARG 37 2HG ARG 37 7.170 6.450 7.363 313 1HD ARG 37 1HD ARG 37 9.480 6.138 6.776 314 2HD ARG 37 2HD ARG 37 9.364 7.211 5.395 315 HE ARG 37 HE ARG 37 9.654 9.054 6.817 316 1HH1 ARG 37 2HH2 ARG 37 8.860 6.212 8.735 317 2HH1 ARG 37 1HH2 ARG 37 9.175 6.989 10.250 318 1HH2 ARG 37 2HH1 ARG 37 10.070 10.080 8.816 319 2HH2 ARG 37 1HH1 ARG 37 9.868 9.204 10.297 320 H VAL 38 H VAL 38 6.809 9.297 4.763 321 HA VAL 38 HA VAL 38 7.893 9.769 2.139 322 HB VAL 38 HB VAL 38 7.842 11.555 4.577 323 1HG1 VAL 38 1HG1 VAL 38 9.214 12.701 3.158 324 2HG1 VAL 38 2HG1 VAL 38 8.544 11.928 1.701 325 3HG1 VAL 38 3HG1 VAL 38 7.649 13.240 2.505 326 1HG2 VAL 38 1HG2 VAL 38 5.678 10.661 2.796 327 2HG2 VAL 38 2HG2 VAL 38 5.604 11.446 4.392 328 3HG2 VAL 38 3HG2 VAL 38 5.819 12.431 2.925 329 H VAL 39 H VAL 39 9.921 9.172 1.594 330 HA VAL 39 HA VAL 39 11.968 9.407 3.681 331 HB VAL 39 HB VAL 39 11.324 7.069 3.466 332 1HG1 VAL 39 1HG1 VAL 39 10.634 7.446 0.963 333 2HG1 VAL 39 2HG1 VAL 39 12.322 6.988 0.631 334 3HG1 VAL 39 3HG1 VAL 39 11.247 5.860 1.491 335 1HG2 VAL 39 1HG2 VAL 39 13.986 8.120 2.925 336 2HG2 VAL 39 2HG2 VAL 39 13.480 6.783 3.985 337 3HG2 VAL 39 3HG2 VAL 39 13.772 6.485 2.255 338 HA PRO 40 HA PRO 40 13.189 11.755 0.061 339 1HB PRO 40 1HB PRO 40 14.120 13.950 1.396 340 2HB PRO 40 2HB PRO 40 12.478 13.817 0.800 341 1HG PRO 40 1HG PRO 40 13.466 13.584 3.576 342 2HG PRO 40 2HG PRO 40 11.833 13.877 3.013 343 1HD PRO 40 1HD PRO 40 12.887 11.403 4.011 344 2HD PRO 40 2HD PRO 40 11.289 11.667 3.340 345 H GLY 41 H GLY 41 14.663 9.948 -0.216 346 1HA GLY 41 1HA GLY 41 16.921 9.421 1.100 347 2HA GLY 41 2HA GLY 41 16.832 9.425 -0.651 348 H GLY 42 H GLY 42 16.261 12.388 -0.783 349 1HA GLY 42 1HA GLY 42 18.185 13.929 0.483 350 2HA GLY 42 2HA GLY 42 18.951 13.278 -0.953 351 H CYS 43 H CYS 43 19.074 15.472 -1.827 352 HA CYS 43 HA CYS 43 16.729 16.985 -2.216 353 1HB CYS 43 1HB CYS 43 18.194 18.337 -3.755 354 2HB CYS 43 2HB CYS 43 18.795 18.162 -2.118 355 HG CYS 43 HG CYS 43 19.709 16.753 -4.941 356 H SER 44 H SER 44 18.012 14.134 -3.656 357 HA SER 44 HA SER 44 17.366 14.531 -6.311 358 1HB SER 44 1HB SER 44 17.853 12.187 -4.519 359 2HB SER 44 2HB SER 44 16.983 11.839 -6.000 360 HG SER 44 HG SER 44 19.216 11.632 -6.414 361 H GLY 45 H GLY 45 15.355 14.353 -3.529 362 1HA GLY 45 1HA GLY 45 13.059 14.856 -3.703 363 2HA GLY 45 2HA GLY 45 12.985 14.023 -5.242 364 H PHE 46 H PHE 46 13.696 11.557 -5.100 365 HA PHE 46 HA PHE 46 13.190 9.538 -4.378 366 1HB PHE 46 1HB PHE 46 13.827 11.141 -1.887 367 2HB PHE 46 2HB PHE 46 13.091 9.572 -1.623 368 HD1 PHE 46 1HD PHE 46 14.458 7.713 -1.464 369 HD2 PHE 46 2HD PHE 46 15.903 11.137 -3.512 370 HE1 PHE 46 1HE PHE 46 16.703 6.618 -1.711 371 HE2 PHE 46 2HE PHE 46 18.148 10.043 -3.759 372 HZ PHE 46 HZ PHE 46 18.521 7.796 -2.855 373 H GLN 47 H GLN 47 11.270 8.452 -4.419 374 HA GLN 47 HA GLN 47 8.959 9.931 -3.542 375 1HB GLN 47 1HB GLN 47 9.053 7.236 -4.961 376 2HB GLN 47 2HB GLN 47 7.669 8.302 -4.818 377 1HG GLN 47 1HG GLN 47 10.171 9.437 -6.056 378 2HG GLN 47 2HG GLN 47 9.249 8.289 -7.008 379 1HE2 GLN 47 1HE2 GLN 47 8.506 9.692 -8.507 380 2HE2 GLN 47 2HE2 GLN 47 7.373 10.965 -8.198 381 H TYR 48 H TYR 48 7.106 8.167 -2.715 382 HA TYR 48 HA TYR 48 8.118 7.359 -0.161 383 1HB TYR 48 1HB TYR 48 5.427 6.772 -1.527 384 2HB TYR 48 2HB TYR 48 5.709 6.920 0.196 385 HD1 TYR 48 1HD TYR 48 4.903 8.676 -2.859 386 HD2 TYR 48 2HD TYR 48 6.251 9.200 1.167 387 HE1 TYR 48 1HE TYR 48 4.266 11.135 -2.958 388 HE2 TYR 48 2HE TYR 48 5.609 11.657 1.055 389 HH TYR 48 HH TYR 48 3.708 12.949 -0.532 390 H ALA 49 H ALA 49 9.083 5.440 0.257 391 HA ALA 49 HA ALA 49 8.811 3.300 -1.658 392 1HB ALA 49 1HB ALA 49 10.433 2.212 0.044 393 2HB ALA 49 2HB ALA 49 11.012 3.632 -0.860 394 3HB ALA 49 3HB ALA 49 10.469 3.810 0.826 395 H MET 50 H MET 50 8.263 1.057 -0.930 396 HA MET 50 HA MET 50 6.006 1.237 0.874 397 1HB MET 50 1HB MET 50 6.578 -0.133 -1.583 398 2HB MET 50 2HB MET 50 6.442 -1.386 -0.367 399 1HG MET 50 1HG MET 50 4.198 -1.169 -0.977 400 2HG MET 50 2HG MET 50 4.257 -0.040 0.362 401 1HE MET 50 1HE MET 50 3.273 0.759 -3.919 402 2HE MET 50 2HE MET 50 3.891 -0.754 -3.214 403 3HE MET 50 3HE MET 50 2.328 -0.094 -2.675 404 H GLY 51 H GLY 51 5.613 -0.829 2.280 405 1HA GLY 51 1HA GLY 51 7.728 -2.486 3.057 406 2HA GLY 51 2HA GLY 51 7.747 -1.076 4.098 407 H PHE 52 H PHE 52 6.532 -4.184 3.784 408 HA PHE 52 HA PHE 52 3.898 -3.824 4.735 409 1HB PHE 52 1HB PHE 52 4.201 -6.326 5.193 410 2HB PHE 52 2HB PHE 52 4.652 -5.865 3.563 411 HD1 PHE 52 1HD PHE 52 6.895 -6.097 2.793 412 HD2 PHE 52 2HD PHE 52 5.978 -6.782 6.879 413 HE1 PHE 52 1HE PHE 52 9.164 -7.116 3.132 414 HE2 PHE 52 2HE PHE 52 8.247 -7.801 7.218 415 HZ PHE 52 HZ PHE 52 9.813 -7.956 5.340 416 H ASP 53 H ASP 53 3.123 -3.525 6.783 417 HA ASP 53 HA ASP 53 5.106 -3.348 8.860 418 1HB ASP 53 1HB ASP 53 2.832 -1.876 8.229 419 2HB ASP 53 2HB ASP 53 2.250 -2.880 9.541 420 H ASP 54 H ASP 54 4.047 -4.112 11.177 421 HA ASP 54 HA ASP 54 3.303 -6.871 10.710 422 1HB ASP 54 1HB ASP 54 4.487 -5.341 13.049 423 2HB ASP 54 2HB ASP 54 3.752 -6.909 13.316 424 H THR 55 H THR 55 1.951 -3.819 11.411 425 HA THR 55 HA THR 55 -0.588 -4.916 12.044 426 HB THR 55 HB THR 55 1.145 -3.733 14.249 427 HG1 THR 55 1HG THR 55 0.938 -5.934 14.526 428 1HG2 THR 55 1HG2 THR 55 -0.920 -3.565 15.631 429 2HG2 THR 55 2HG2 THR 55 -1.006 -2.435 14.259 430 3HG2 THR 55 3HG2 THR 55 -1.911 -3.967 14.209 431 H VAL 56 H VAL 56 -2.210 -3.087 12.495 432 HA VAL 56 HA VAL 56 -1.487 -0.938 10.664 433 HB VAL 56 HB VAL 56 -3.887 -2.438 11.362 434 1HG1 VAL 56 1HG1 VAL 56 -4.534 -0.408 12.533 435 2HG1 VAL 56 2HG1 VAL 56 -4.105 0.581 11.116 436 3HG1 VAL 56 3HG1 VAL 56 -5.470 -0.558 11.026 437 1HG2 VAL 56 1HG2 VAL 56 -3.750 -0.609 9.010 438 2HG2 VAL 56 2HG2 VAL 56 -2.554 -1.925 9.093 439 3HG2 VAL 56 3HG2 VAL 56 -4.294 -2.300 9.121 440 H GLU 57 H GLU 57 -2.055 1.313 11.208 441 HA GLU 57 HA GLU 57 -1.377 1.799 13.948 442 1HB GLU 57 1HB GLU 57 -1.989 3.924 11.869 443 2HB GLU 57 2HB GLU 57 -0.942 4.047 13.269 444 1HG GLU 57 1HG GLU 57 0.595 2.333 12.229 445 2HG GLU 57 2HG GLU 57 -0.431 2.309 10.809 446 H GLU 58 H GLU 58 -2.614 3.794 15.016 447 HA GLU 58 HA GLU 58 -5.356 2.965 15.066 448 1HB GLU 58 1HB GLU 58 -3.584 3.846 16.998 449 2HB GLU 58 2HB GLU 58 -4.538 5.290 16.724 450 1HG GLU 58 1HG GLU 58 -5.802 4.194 18.373 451 2HG GLU 58 2HG GLU 58 -6.615 3.681 16.907 452 H GLY 59 H GLY 59 -4.197 4.409 12.672 453 1HA GLY 59 1HA GLY 59 -6.358 6.015 12.018 454 2HA GLY 59 2HA GLY 59 -5.135 7.086 12.670 455 H ASP 60 H ASP 60 -5.206 4.161 10.498 456 HA ASP 60 HA ASP 60 -3.496 5.701 8.706 457 1HB ASP 60 1HB ASP 60 -2.864 3.315 9.995 458 2HB ASP 60 2HB ASP 60 -3.449 2.741 8.446 459 H HIS 61 H HIS 61 -3.939 5.361 6.382 460 HA HIS 61 HA HIS 61 -6.661 4.968 5.825 461 1HB HIS 61 1HB HIS 61 -5.295 6.497 4.539 462 2HB HIS 61 2HB HIS 61 -4.233 5.200 4.030 463 HD1 HIS 61 1HD HIS 61 -7.785 4.203 3.961 464 HD2 HIS 61 2HD HIS 61 -5.070 6.052 1.353 465 HE1 HIS 61 1HE HIS 61 -8.827 4.074 1.636 466 H VAL 62 H VAL 62 -6.865 2.802 6.922 467 HA VAL 62 HA VAL 62 -5.618 0.572 5.639 468 HB VAL 62 HB VAL 62 -6.396 0.910 8.093 469 1HG1 VAL 62 1HG1 VAL 62 -8.587 0.351 8.679 470 2HG1 VAL 62 2HG1 VAL 62 -8.803 1.376 7.239 471 3HG1 VAL 62 3HG1 VAL 62 -8.927 -0.394 7.098 472 1HG2 VAL 62 1HG2 VAL 62 -6.205 -1.365 8.426 473 2HG2 VAL 62 2HG2 VAL 62 -7.193 -1.770 7.001 474 3HG2 VAL 62 3HG2 VAL 62 -5.517 -1.209 6.792 475 H PHE 63 H PHE 63 -6.163 0.381 3.479 476 HA PHE 63 HA PHE 63 -9.044 0.224 2.933 477 1HB PHE 63 1HB PHE 63 -7.060 1.889 1.863 478 2HB PHE 63 2HB PHE 63 -7.032 0.556 0.725 479 HD1 PHE 63 1HD PHE 63 -9.983 1.930 2.518 480 HD2 PHE 63 2HD PHE 63 -7.968 1.511 -1.193 481 HE1 PHE 63 1HE PHE 63 -11.969 2.902 1.330 482 HE2 PHE 63 2HE PHE 63 -9.954 2.483 -2.381 483 HZ PHE 63 HZ PHE 63 -11.931 3.167 -1.105 484 H GLU 64 H GLU 64 -9.825 -1.523 1.681 485 HA GLU 64 HA GLU 64 -8.054 -3.784 1.721 486 1HB GLU 64 1HB GLU 64 -10.971 -3.685 0.847 487 2HB GLU 64 2HB GLU 64 -10.054 -5.111 1.293 488 1HG GLU 64 1HG GLU 64 -10.058 -4.574 3.587 489 2HG GLU 64 2HG GLU 64 -10.270 -2.859 3.296 490 H TYR 65 H TYR 65 -7.316 -4.927 -0.109 491 HA TYR 65 HA TYR 65 -8.038 -3.745 -2.701 492 1HB TYR 65 1HB TYR 65 -5.327 -4.666 -1.558 493 2HB TYR 65 2HB TYR 65 -5.552 -4.182 -3.227 494 HD1 TYR 65 1HD TYR 65 -5.830 -2.913 0.276 495 HD2 TYR 65 2HD TYR 65 -5.339 -1.923 -3.857 496 HE1 TYR 65 1HE TYR 65 -5.347 -0.497 0.904 497 HE2 TYR 65 2HE TYR 65 -4.858 0.489 -3.215 498 HH TYR 65 HH TYR 65 -4.821 1.949 -1.611 499 H ASP 66 H ASP 66 -6.301 -5.498 -4.202 500 HA ASP 66 HA ASP 66 -8.009 -7.665 -4.435 501 1HB ASP 66 1HB ASP 66 -6.341 -6.630 -6.144 502 2HB ASP 66 2HB ASP 66 -5.110 -7.603 -5.366 503 H GLY 67 H GLY 67 -7.911 -8.282 -2.004 504 1HA GLY 67 1HA GLY 67 -7.357 -9.851 -0.482 505 2HA GLY 67 2HA GLY 67 -6.281 -10.583 -1.655 506 H VAL 68 H VAL 68 -5.759 -7.171 -1.144 507 HA VAL 68 HA VAL 68 -3.658 -7.754 0.814 508 HB VAL 68 HB VAL 68 -3.369 -6.112 -1.710 509 1HG1 VAL 68 1HG1 VAL 68 -2.052 -5.038 -0.071 510 2HG1 VAL 68 2HG1 VAL 68 -1.522 -6.582 0.639 511 3HG1 VAL 68 3HG1 VAL 68 -0.920 -6.084 -0.961 512 1HG2 VAL 68 1HG2 VAL 68 -3.368 -8.689 -1.865 513 2HG2 VAL 68 2HG2 VAL 68 -2.007 -7.804 -2.594 514 3HG2 VAL 68 3HG2 VAL 68 -1.807 -8.600 -1.015 515 H LYS 69 H LYS 69 -2.871 -5.681 1.891 516 HA LYS 69 HA LYS 69 -5.027 -3.692 1.938 517 1HB LYS 69 1HB LYS 69 -4.143 -5.465 4.081 518 2HB LYS 69 2HB LYS 69 -4.002 -3.778 4.534 519 1HG LYS 69 1HG LYS 69 -6.525 -4.481 3.101 520 2HG LYS 69 2HG LYS 69 -6.339 -5.235 4.671 521 1HD LYS 69 1HD LYS 69 -5.959 -3.025 5.727 522 2HD LYS 69 2HD LYS 69 -6.029 -2.239 4.163 523 1HE LYS 69 1HE LYS 69 -8.216 -1.929 5.030 524 2HE LYS 69 2HE LYS 69 -8.406 -3.280 3.930 525 1HZ LYS 69 1HZ LYS 69 -8.805 -4.658 5.613 526 2HZ LYS 69 2HZ LYS 69 -7.670 -4.017 6.596 527 3HZ LYS 69 3HZ LYS 69 -9.138 -3.313 6.478 528 H VAL 70 H VAL 70 -4.364 -1.533 2.202 529 HA VAL 70 HA VAL 70 -1.467 -1.131 2.367 530 HB VAL 70 HB VAL 70 -3.278 0.306 0.424 531 1HG1 VAL 70 1HG1 VAL 70 -0.251 0.127 0.488 532 2HG1 VAL 70 2HG1 VAL 70 -1.261 1.180 -0.531 533 3HG1 VAL 70 3HG1 VAL 70 -1.182 1.452 1.227 534 1HG2 VAL 70 1HG2 VAL 70 -1.585 -2.168 0.049 535 2HG2 VAL 70 2HG2 VAL 70 -3.280 -1.889 -0.417 536 3HG2 VAL 70 3HG2 VAL 70 -1.968 -1.080 -1.307 537 H VAL 71 H VAL 71 -0.854 0.975 3.217 538 HA VAL 71 HA VAL 71 -3.029 2.571 4.294 539 HB VAL 71 HB VAL 71 -2.313 2.448 6.534 540 1HG1 VAL 71 1HG1 VAL 71 -2.127 -0.432 5.623 541 2HG1 VAL 71 2HG1 VAL 71 -2.823 0.215 7.128 542 3HG1 VAL 71 3HG1 VAL 71 -3.648 0.490 5.575 543 1HG2 VAL 71 1HG2 VAL 71 -0.360 1.143 7.288 544 2HG2 VAL 71 2HG2 VAL 71 0.041 0.775 5.593 545 3HG2 VAL 71 3HG2 VAL 71 0.105 2.455 6.178 546 H ILE 72 H ILE 72 -2.229 4.704 5.088 547 HA ILE 72 HA ILE 72 0.460 5.346 4.171 548 HB ILE 72 HB ILE 72 -1.874 7.041 3.327 549 1HG1 ILE 72 1HG1 ILE 72 -1.146 5.836 1.013 550 2HG1 ILE 72 2HG1 ILE 72 -0.903 4.504 2.126 551 1HG2 ILE 72 1HG2 ILE 72 -0.324 8.398 2.505 552 2HG2 ILE 72 2HG2 ILE 72 0.914 7.396 3.301 553 3HG2 ILE 72 3HG2 ILE 72 0.448 7.063 1.616 554 1HD1 ILE 72 1HD1 ILE 72 -3.312 5.059 1.019 555 2HD1 ILE 72 2HD1 ILE 72 -3.150 4.321 2.631 556 3HD1 ILE 72 3HD1 ILE 72 -3.434 6.072 2.478 557 H ASP 73 H ASP 73 1.492 6.454 5.741 558 HA ASP 73 HA ASP 73 0.572 6.957 8.146 559 1HB ASP 73 1HB ASP 73 2.600 8.336 6.415 560 2HB ASP 73 2HB ASP 73 2.157 9.169 7.892 561 HA PRO 74 HA PRO 74 -2.184 10.360 7.916 562 1HB PRO 74 1HB PRO 74 -1.877 11.571 10.346 563 2HB PRO 74 2HB PRO 74 -2.832 10.121 10.112 564 1HG PRO 74 1HG PRO 74 -0.152 10.399 11.329 565 2HG PRO 74 2HG PRO 74 -1.287 9.070 11.464 566 1HD PRO 74 1HD PRO 74 1.078 9.150 9.842 567 2HD PRO 74 2HD PRO 74 -0.118 7.869 9.890 568 H PHE 75 H PHE 75 1.137 10.987 8.425 569 HA PHE 75 HA PHE 75 0.795 13.812 7.950 570 1HB PHE 75 1HB PHE 75 2.951 11.806 8.635 571 2HB PHE 75 2HB PHE 75 3.498 13.239 7.789 572 HD1 PHE 75 1HD PHE 75 2.481 15.511 8.818 573 HD2 PHE 75 2HD PHE 75 2.997 11.869 10.934 574 HE1 PHE 75 1HE PHE 75 2.521 16.776 10.986 575 HE2 PHE 75 2HE PHE 75 3.037 13.133 13.102 576 HZ PHE 75 HZ PHE 75 2.798 15.572 13.102 577 H SER 76 H SER 76 1.437 10.852 6.145 578 HA SER 76 HA SER 76 2.513 12.333 3.930 579 1HB SER 76 1HB SER 76 1.794 9.375 4.051 580 2HB SER 76 2HB SER 76 2.849 10.155 2.889 581 HG SER 76 HG SER 76 4.279 9.323 4.345 582 H MET 77 H MET 77 -0.551 11.276 5.175 583 HA MET 77 HA MET 77 -1.935 10.710 2.881 584 1HB MET 77 1HB MET 77 -2.470 11.046 5.622 585 2HB MET 77 2HB MET 77 -3.421 12.326 4.895 586 1HG MET 77 1HG MET 77 -3.532 9.408 3.990 587 2HG MET 77 2HG MET 77 -4.656 10.116 5.132 588 1HE MET 77 1HE MET 77 -3.481 9.833 1.480 589 2HE MET 77 2HE MET 77 -4.843 8.802 1.982 590 3HE MET 77 3HE MET 77 -5.085 10.054 0.740 591 HA PRO 78 HA PRO 78 -2.780 15.372 2.553 592 1HB PRO 78 1HB PRO 78 -1.306 17.125 4.044 593 2HB PRO 78 2HB PRO 78 -2.894 16.559 4.523 594 1HG PRO 78 1HG PRO 78 -0.249 15.778 5.586 595 2HG PRO 78 2HG PRO 78 -1.830 15.562 6.310 596 1HD PRO 78 1HD PRO 78 -0.246 13.551 5.017 597 2HD PRO 78 2HD PRO 78 -1.874 13.364 5.637 598 H TYR 79 H TYR 79 -0.041 13.702 2.261 599 HA TYR 79 HA TYR 79 1.197 15.788 0.601 600 1HB TYR 79 1HB TYR 79 2.106 13.984 2.629 601 2HB TYR 79 2HB TYR 79 2.645 13.245 1.135 602 HD1 TYR 79 1HD TYR 79 4.314 14.488 3.456 603 HD2 TYR 79 2HD TYR 79 3.040 15.970 -0.350 604 HE1 TYR 79 1HE TYR 79 6.309 16.063 3.393 605 HE2 TYR 79 2HE TYR 79 5.039 17.539 -0.400 606 HH TYR 79 HH TYR 79 6.848 18.178 0.587 607 H VAL 80 H VAL 80 -0.539 12.767 0.585 608 HA VAL 80 HA VAL 80 -0.055 12.590 -2.290 609 HB VAL 80 HB VAL 80 0.052 10.118 -2.076 610 1HG1 VAL 80 1HG1 VAL 80 2.429 10.429 -0.668 611 2HG1 VAL 80 2HG1 VAL 80 2.202 10.643 -2.421 612 3HG1 VAL 80 3HG1 VAL 80 2.116 12.050 -1.334 613 1HG2 VAL 80 1HG2 VAL 80 -0.297 9.062 -0.143 614 2HG2 VAL 80 2HG2 VAL 80 0.990 9.999 0.653 615 3HG2 VAL 80 3HG2 VAL 80 -0.672 10.634 0.604 616 H ASN 81 H ASN 81 -2.202 13.821 -0.758 617 HA ASN 81 HA ASN 81 -4.318 11.993 -0.542 618 1HB ASN 81 1HB ASN 81 -5.709 14.187 -0.500 619 2HB ASN 81 2HB ASN 81 -4.501 14.004 0.756 620 1HD2 ASN 81 1HD2 ASN 81 -5.490 15.700 -2.078 621 2HD2 ASN 81 2HD2 ASN 81 -4.270 16.929 -2.096 622 H GLY 82 H GLY 82 -5.287 11.033 -2.336 623 1HA GLY 82 1HA GLY 82 -6.469 10.969 -4.282 624 2HA GLY 82 2HA GLY 82 -6.167 12.676 -4.540 625 H ALA 83 H ALA 83 -3.144 11.635 -3.809 626 HA ALA 83 HA ALA 83 -2.307 11.678 -6.515 627 1HB ALA 83 1HB ALA 83 -0.530 10.685 -4.315 628 2HB ALA 83 2HB ALA 83 -0.194 11.857 -5.612 629 3HB ALA 83 3HB ALA 83 -1.151 12.349 -4.194 630 H GLU 84 H GLU 84 -1.026 9.934 -7.580 631 HA GLU 84 HA GLU 84 -2.087 7.338 -6.775 632 1HB GLU 84 1HB GLU 84 -1.359 8.322 -9.570 633 2HB GLU 84 2HB GLU 84 -1.915 6.704 -9.192 634 1HG GLU 84 1HG GLU 84 -4.052 7.651 -8.290 635 2HG GLU 84 2HG GLU 84 -3.496 9.268 -8.674 636 H LEU 85 H LEU 85 -0.586 5.874 -6.086 637 HA LEU 85 HA LEU 85 2.207 6.532 -6.505 638 1HB LEU 85 1HB LEU 85 2.019 5.991 -4.333 639 2HB LEU 85 2HB LEU 85 0.619 4.967 -4.580 640 HG LEU 85 HG LEU 85 2.064 3.154 -5.399 641 1HD1 LEU 85 1HD1 LEU 85 4.632 3.749 -4.661 642 2HD1 LEU 85 2HD1 LEU 85 4.002 3.782 -6.326 643 3HD1 LEU 85 3HD1 LEU 85 4.087 5.285 -5.376 644 1HD2 LEU 85 1HD2 LEU 85 3.528 3.274 -3.038 645 2HD2 LEU 85 2HD2 LEU 85 2.077 4.251 -2.706 646 3HD2 LEU 85 3HD2 LEU 85 1.909 2.568 -3.259 647 H ASP 86 H ASP 86 3.051 5.919 -8.432 648 HA ASP 86 HA ASP 86 2.061 3.454 -9.573 649 1HB ASP 86 1HB ASP 86 2.613 5.876 -10.718 650 2HB ASP 86 2HB ASP 86 4.162 5.092 -10.953 651 H TYR 87 H TYR 87 3.193 1.752 -8.526 652 HA TYR 87 HA TYR 87 6.016 2.058 -7.983 653 1HB TYR 87 1HB TYR 87 3.801 0.729 -6.885 654 2HB TYR 87 2HB TYR 87 4.567 -0.573 -7.773 655 HD1 TYR 87 1HD TYR 87 6.851 -1.336 -7.166 656 HD2 TYR 87 2HD TYR 87 4.803 1.647 -4.883 657 HE1 TYR 87 1HE TYR 87 8.478 -1.681 -5.243 658 HE2 TYR 87 2HE TYR 87 6.437 1.292 -2.967 659 HH TYR 87 HH TYR 87 9.092 -1.054 -3.274 660 H VAL 88 H VAL 88 7.670 1.298 -9.224 661 HA VAL 88 HA VAL 88 6.928 -0.060 -11.681 662 HB VAL 88 HB VAL 88 9.492 1.185 -10.677 663 1HG1 VAL 88 1HG1 VAL 88 10.104 0.921 -13.200 664 2HG1 VAL 88 2HG1 VAL 88 10.301 -0.467 -12.103 665 3HG1 VAL 88 3HG1 VAL 88 8.887 -0.377 -13.180 666 1HG2 VAL 88 1HG2 VAL 88 9.009 3.038 -11.973 667 2HG2 VAL 88 2HG2 VAL 88 7.924 2.134 -13.058 668 3HG2 VAL 88 3HG2 VAL 88 7.383 2.571 -11.420 669 H VAL 89 H VAL 89 7.726 -2.114 -12.297 670 HA VAL 89 HA VAL 89 9.052 -3.595 -10.137 671 HB VAL 89 HB VAL 89 6.888 -4.710 -11.921 672 1HG1 VAL 89 1HG1 VAL 89 8.788 -5.980 -10.363 673 2HG1 VAL 89 2HG1 VAL 89 7.364 -5.932 -9.296 674 3HG1 VAL 89 3HG1 VAL 89 7.245 -6.681 -10.907 675 1HG2 VAL 89 1HG2 VAL 89 5.320 -4.474 -10.085 676 2HG2 VAL 89 2HG2 VAL 89 6.575 -3.734 -9.063 677 3HG2 VAL 89 3HG2 VAL 89 5.983 -2.877 -10.506 678 H ASP 90 H ASP 90 11.068 -4.028 -10.875 679 HA ASP 90 HA ASP 90 11.319 -5.487 -13.277 680 1HB ASP 90 1HB ASP 90 11.302 -2.841 -13.789 681 2HB ASP 90 2HB ASP 90 12.970 -2.961 -13.267 682 H PHE 91 H PHE 91 14.226 -4.471 -13.523 683 HA PHE 91 HA PHE 91 15.428 -6.269 -11.803 684 1HB PHE 91 1HB PHE 91 16.124 -4.741 -13.968 685 2HB PHE 91 2HB PHE 91 16.824 -3.732 -12.718 686 HD1 PHE 91 1HD PHE 91 16.787 -7.281 -13.866 687 HD2 PHE 91 2HD PHE 91 18.982 -4.166 -11.999 688 HE1 PHE 91 1HE PHE 91 18.828 -8.741 -13.830 689 HE2 PHE 91 2HE PHE 91 21.023 -5.626 -11.962 690 HZ PHE 91 HZ PHE 91 20.922 -7.896 -12.878 691 H MET 92 H MET 92 14.061 -3.180 -11.107 692 HA MET 92 HA MET 92 15.888 -2.521 -9.032 693 1HB MET 92 1HB MET 92 13.721 -1.287 -10.482 694 2HB MET 92 2HB MET 92 13.278 -1.231 -8.787 695 1HG MET 92 1HG MET 92 14.526 0.754 -9.025 696 2HG MET 92 2HG MET 92 15.732 -0.354 -8.402 697 1HE MET 92 1HE MET 92 16.472 2.090 -9.475 698 2HE MET 92 2HE MET 92 17.970 1.173 -9.759 699 3HE MET 92 3HE MET 92 17.255 2.138 -11.072 700 H GLY 93 H GLY 93 13.735 -5.010 -9.282 701 1HA GLY 93 1HA GLY 93 12.741 -6.370 -7.795 702 2HA GLY 93 2HA GLY 93 13.712 -5.612 -6.549 703 H GLY 94 H GLY 94 11.833 -3.326 -8.352 704 1HA GLY 94 1HA GLY 94 9.456 -2.925 -7.919 705 2HA GLY 94 2HA GLY 94 9.755 -3.340 -6.243 706 H GLY 95 H GLY 95 10.382 -0.936 -8.822 707 1HA GLY 95 1HA GLY 95 11.647 0.905 -6.953 708 2HA GLY 95 2HA GLY 95 11.405 1.122 -8.675 709 H PHE 96 H PHE 96 10.332 2.028 -5.574 710 HA PHE 96 HA PHE 96 7.588 2.435 -6.157 711 1HB PHE 96 1HB PHE 96 7.936 3.972 -4.052 712 2HB PHE 96 2HB PHE 96 8.275 2.265 -3.846 713 HD1 PHE 96 1HD PHE 96 9.931 5.511 -4.586 714 HD2 PHE 96 2HD PHE 96 10.369 1.566 -3.085 715 HE1 PHE 96 1HE PHE 96 12.251 6.065 -3.806 716 HE2 PHE 96 2HE PHE 96 12.689 2.121 -2.305 717 HZ PHE 96 HZ PHE 96 13.603 4.364 -2.675 718 H THR 97 H THR 97 6.501 4.263 -6.893 719 HA THR 97 HA THR 97 7.857 6.774 -7.139 720 HB THR 97 HB THR 97 7.438 4.934 -9.527 721 HG1 THR 97 1HG THR 97 9.639 5.308 -9.543 722 1HG2 THR 97 1HG2 THR 97 7.692 7.988 -9.521 723 2HG2 THR 97 2HG2 THR 97 7.927 6.958 -10.954 724 3HG2 THR 97 3HG2 THR 97 6.328 7.053 -10.178 725 H ILE 98 H ILE 98 6.428 8.504 -7.788 726 HA ILE 98 HA ILE 98 3.617 7.715 -7.898 727 HB ILE 98 HB ILE 98 3.831 8.118 -5.615 728 1HG1 ILE 98 1HG1 ILE 98 3.045 10.889 -6.039 729 2HG1 ILE 98 2HG1 ILE 98 2.306 9.828 -7.222 730 1HG2 ILE 98 1HG2 ILE 98 5.352 10.683 -6.120 731 2HG2 ILE 98 2HG2 ILE 98 5.075 9.852 -4.570 732 3HG2 ILE 98 3HG2 ILE 98 6.137 9.118 -5.796 733 1HD1 ILE 98 1HD1 ILE 98 0.966 8.830 -5.669 734 2HD1 ILE 98 2HD1 ILE 98 2.287 8.702 -4.483 735 3HD1 ILE 98 3HD1 ILE 98 1.378 10.224 -4.641 736 H ARG 99 H ARG 99 2.425 8.910 -9.340 737 HA ARG 99 HA ARG 99 3.931 11.023 -10.645 738 1HB ARG 99 1HB ARG 99 2.037 8.920 -11.581 739 2HB ARG 99 2HB ARG 99 1.760 10.494 -12.301 740 1HG ARG 99 1HG ARG 99 3.764 10.482 -13.455 741 2HG ARG 99 2HG ARG 99 4.624 9.649 -12.175 742 1HD ARG 99 1HD ARG 99 4.508 8.058 -13.956 743 2HD ARG 99 2HD ARG 99 3.278 7.537 -12.822 744 HE ARG 99 HE ARG 99 1.594 8.167 -14.355 745 1HH1 ARG 99 2HH2 ARG 99 4.731 9.332 -15.443 746 2HH1 ARG 99 1HH2 ARG 99 4.164 9.771 -17.020 747 1HH2 ARG 99 2HH1 ARG 99 0.845 8.745 -16.435 748 2HH2 ARG 99 1HH1 ARG 99 1.939 9.435 -17.588 749 H ASN 100 H ASN 100 3.310 13.073 -10.035 750 HA ASN 100 HA ASN 100 0.550 13.382 -9.174 751 1HB ASN 100 1HB ASN 100 3.121 14.425 -8.230 752 2HB ASN 100 2HB ASN 100 2.045 15.755 -8.610 753 1HD2 ASN 100 1HD2 ASN 100 3.027 13.735 -6.245 754 2HD2 ASN 100 2HD2 ASN 100 1.657 13.743 -5.186 755 HA PRO 101 HA PRO 101 -0.007 15.931 -12.705 756 1HB PRO 101 1HB PRO 101 -2.283 17.274 -12.006 757 2HB PRO 101 2HB PRO 101 -2.291 15.644 -12.651 758 1HG PRO 101 1HG PRO 101 -2.717 16.538 -9.866 759 2HG PRO 101 2HG PRO 101 -3.133 15.002 -10.602 760 1HD PRO 101 1HD PRO 101 -0.918 15.525 -8.856 761 2HD PRO 101 2HD PRO 101 -1.268 14.021 -9.684 Start of MODEL 12 1 H MET 1 H MET 1 -14.423 5.203 20.315 2 HA MET 1 HA MET 1 -12.476 5.825 21.911 3 1HB MET 1 1HB MET 1 -14.360 4.048 23.395 4 2HB MET 1 2HB MET 1 -12.696 3.501 23.463 5 1HG MET 1 1HG MET 1 -11.972 5.735 24.293 6 2HG MET 1 2HG MET 1 -13.616 6.330 24.171 7 1HE MET 1 1HE MET 1 -11.918 6.013 27.426 8 2HE MET 1 2HE MET 1 -11.534 4.275 27.407 9 3HE MET 1 3HE MET 1 -11.047 5.309 26.042 10 H GLN 2 H GLN 2 -12.666 4.982 19.333 11 HA GLN 2 HA GLN 2 -11.124 2.522 19.430 12 1HB GLN 2 1HB GLN 2 -13.430 3.124 17.532 13 2HB GLN 2 2HB GLN 2 -12.267 1.844 17.246 14 1HG GLN 2 1HG GLN 2 -13.905 2.065 19.813 15 2HG GLN 2 2HG GLN 2 -14.422 1.126 18.426 16 1HE2 GLN 2 1HE2 GLN 2 -13.056 0.887 21.334 17 2HE2 GLN 2 2HE2 GLN 2 -12.044 -0.507 21.152 18 H GLU 3 H GLU 3 -10.429 2.259 16.763 19 HA GLU 3 HA GLU 3 -8.580 4.349 16.508 20 1HB GLU 3 1HB GLU 3 -7.888 3.178 14.445 21 2HB GLU 3 2HB GLU 3 -8.101 2.046 15.766 22 1HG GLU 3 1HG GLU 3 -10.568 1.811 14.830 23 2HG GLU 3 2HG GLU 3 -9.898 2.505 13.367 24 H GLN 4 H GLN 4 -8.326 5.782 14.566 25 HA GLN 4 HA GLN 4 -10.813 7.029 14.032 26 1HB GLN 4 1HB GLN 4 -8.702 8.304 14.378 27 2HB GLN 4 2HB GLN 4 -8.026 7.595 12.926 28 1HG GLN 4 1HG GLN 4 -9.407 8.833 11.498 29 2HG GLN 4 2HG GLN 4 -10.694 8.970 12.678 30 1HE2 GLN 4 1HE2 GLN 4 -10.925 10.800 13.721 31 2HE2 GLN 4 2HE2 GLN 4 -9.758 12.072 13.870 32 H ALA 5 H ALA 5 -12.145 5.693 12.769 33 HA ALA 5 HA ALA 5 -11.106 4.348 10.477 34 1HB ALA 5 1HB ALA 5 -12.889 3.207 11.409 35 2HB ALA 5 2HB ALA 5 -13.758 4.699 11.843 36 3HB ALA 5 3HB ALA 5 -13.743 4.136 10.154 37 H GLN 6 H GLN 6 -10.969 5.065 8.393 38 HA GLN 6 HA GLN 6 -12.699 6.901 7.289 39 1HB GLN 6 1HB GLN 6 -11.513 8.485 8.866 40 2HB GLN 6 2HB GLN 6 -10.015 8.154 8.018 41 1HG GLN 6 1HG GLN 6 -10.697 9.273 6.072 42 2HG GLN 6 2HG GLN 6 -12.400 8.993 6.374 43 1HE2 GLN 6 1HE2 GLN 6 -12.296 11.339 5.732 44 2HE2 GLN 6 2HE2 GLN 6 -12.162 12.515 6.996 45 H GLN 7 H GLN 7 -12.504 6.763 5.056 46 HA GLN 7 HA GLN 7 -10.096 5.397 4.146 47 1HB GLN 7 1HB GLN 7 -12.133 4.077 3.811 48 2HB GLN 7 2HB GLN 7 -12.922 5.418 3.004 49 1HG GLN 7 1HG GLN 7 -10.672 5.228 1.461 50 2HG GLN 7 2HG GLN 7 -10.810 3.558 1.976 51 1HE2 GLN 7 1HE2 GLN 7 -12.722 6.260 0.689 52 2HE2 GLN 7 2HE2 GLN 7 -13.770 5.329 -0.329 53 H PHE 8 H PHE 8 -8.705 7.052 3.539 54 HA PHE 8 HA PHE 8 -9.688 9.406 2.284 55 1HB PHE 8 1HB PHE 8 -6.850 8.231 2.359 56 2HB PHE 8 2HB PHE 8 -7.265 9.928 2.220 57 HD1 PHE 8 1HD PHE 8 -5.579 8.181 4.321 58 HD2 PHE 8 2HD PHE 8 -9.358 10.110 4.355 59 HE1 PHE 8 1HE PHE 8 -5.434 8.420 6.815 60 HE2 PHE 8 2HE PHE 8 -9.214 10.349 6.850 61 HZ PHE 8 HZ PHE 8 -7.253 9.501 8.050 62 H ILE 9 H ILE 9 -8.899 10.181 0.118 63 HA ILE 9 HA ILE 9 -9.416 8.158 -1.826 64 HB ILE 9 HB ILE 9 -8.537 11.015 -2.242 65 1HG1 ILE 9 1HG1 ILE 9 -10.462 10.947 -0.722 66 2HG1 ILE 9 2HG1 ILE 9 -10.882 11.633 -2.279 67 1HG2 ILE 9 1HG2 ILE 9 -10.404 10.021 -4.175 68 2HG2 ILE 9 2HG2 ILE 9 -8.737 10.601 -4.409 69 3HG2 ILE 9 3HG2 ILE 9 -9.039 8.886 -4.041 70 1HD1 ILE 9 1HD1 ILE 9 -12.622 10.154 -2.222 71 2HD1 ILE 9 2HD1 ILE 9 -11.405 8.956 -2.724 72 3HD1 ILE 9 3HD1 ILE 9 -11.828 9.128 -1.004 73 H PHE 10 H PHE 10 -7.951 6.742 -2.593 74 HA PHE 10 HA PHE 10 -5.344 7.677 -3.310 75 1HB PHE 10 1HB PHE 10 -5.489 7.004 -0.727 76 2HB PHE 10 2HB PHE 10 -5.591 5.360 -1.325 77 HD1 PHE 10 1HD PHE 10 -3.697 4.765 -3.125 78 HD2 PHE 10 2HD PHE 10 -3.400 7.804 -0.179 79 HE1 PHE 10 1HE PHE 10 -1.193 4.661 -3.269 80 HE2 PHE 10 2HE PHE 10 -0.897 7.700 -0.322 81 HZ PHE 10 HZ PHE 10 0.177 6.129 -1.866 82 H LYS 11 H LYS 11 -4.685 6.578 -5.111 83 HA LYS 11 HA LYS 11 -5.775 3.889 -5.499 84 1HB LYS 11 1HB LYS 11 -5.885 6.177 -7.481 85 2HB LYS 11 2HB LYS 11 -6.107 4.499 -7.930 86 1HG LYS 11 1HG LYS 11 -8.209 4.398 -7.021 87 2HG LYS 11 2HG LYS 11 -7.741 5.296 -5.590 88 1HD LYS 11 1HD LYS 11 -8.012 6.704 -8.269 89 2HD LYS 11 2HD LYS 11 -9.427 6.393 -7.283 90 1HE LYS 11 1HE LYS 11 -8.267 7.567 -5.349 91 2HE LYS 11 2HE LYS 11 -6.955 7.977 -6.436 92 1HZ LYS 11 1HZ LYS 11 -9.297 8.699 -7.691 93 2HZ LYS 11 2HZ LYS 11 -9.422 9.239 -6.155 94 3HZ LYS 11 3HZ LYS 11 -8.152 9.689 -7.078 95 H VAL 12 H VAL 12 -4.160 2.461 -5.823 96 HA VAL 12 HA VAL 12 -1.619 3.565 -6.800 97 HB VAL 12 HB VAL 12 -1.899 2.537 -4.435 98 1HG1 VAL 12 1HG1 VAL 12 -1.765 0.178 -4.224 99 2HG1 VAL 12 2HG1 VAL 12 -3.086 0.488 -5.376 100 3HG1 VAL 12 3HG1 VAL 12 -1.494 -0.042 -5.970 101 1HG2 VAL 12 1HG2 VAL 12 0.269 3.109 -5.060 102 2HG2 VAL 12 2HG2 VAL 12 0.404 1.360 -4.759 103 3HG2 VAL 12 3HG2 VAL 12 0.288 1.970 -6.427 104 H THR 13 H THR 13 -0.513 2.473 -8.478 105 HA THR 13 HA THR 13 -2.138 1.267 -10.403 106 HB THR 13 HB THR 13 0.180 0.745 -11.417 107 HG1 THR 13 1HG THR 13 1.837 0.972 -9.958 108 1HG2 THR 13 1HG2 THR 13 -0.824 2.962 -11.885 109 2HG2 THR 13 2HG2 THR 13 -0.306 3.553 -10.288 110 3HG2 THR 13 3HG2 THR 13 0.908 3.161 -11.529 111 H ASP 14 H ASP 14 -2.647 -0.801 -10.965 112 HA ASP 14 HA ASP 14 -2.872 -2.683 -9.093 113 1HB ASP 14 1HB ASP 14 -3.229 -2.508 -11.890 114 2HB ASP 14 2HB ASP 14 -2.184 -3.900 -11.685 115 H LYS 15 H LYS 15 -0.024 -1.854 -11.083 116 HA LYS 15 HA LYS 15 1.448 -4.203 -10.609 117 1HB LYS 15 1HB LYS 15 1.708 -1.937 -12.182 118 2HB LYS 15 2HB LYS 15 3.011 -1.756 -11.026 119 1HG LYS 15 1HG LYS 15 3.875 -3.043 -12.891 120 2HG LYS 15 2HG LYS 15 3.727 -4.135 -11.528 121 1HD LYS 15 1HD LYS 15 2.077 -5.380 -12.532 122 2HD LYS 15 2HD LYS 15 1.271 -3.972 -13.193 123 1HE LYS 15 1HE LYS 15 3.924 -4.949 -14.325 124 2HE LYS 15 2HE LYS 15 2.400 -5.625 -14.866 125 1HZ LYS 15 1HZ LYS 15 2.932 -2.740 -14.872 126 2HZ LYS 15 2HZ LYS 15 3.243 -3.701 -16.156 127 3HZ LYS 15 3HZ LYS 15 1.711 -3.528 -15.617 128 H ALA 16 H ALA 16 1.208 -1.028 -8.915 129 HA ALA 16 HA ALA 16 3.253 -1.425 -7.098 130 1HB ALA 16 1HB ALA 16 2.366 0.733 -7.182 131 2HB ALA 16 2HB ALA 16 0.683 0.155 -7.144 132 3HB ALA 16 3HB ALA 16 1.672 0.115 -5.664 133 H VAL 17 H VAL 17 -0.234 -2.385 -6.960 134 HA VAL 17 HA VAL 17 -0.022 -3.509 -4.378 135 HB VAL 17 HB VAL 17 -1.994 -3.434 -6.602 136 1HG1 VAL 17 1HG1 VAL 17 -3.479 -5.046 -5.489 137 2HG1 VAL 17 2HG1 VAL 17 -1.972 -5.821 -6.034 138 3HG1 VAL 17 3HG1 VAL 17 -2.195 -5.422 -4.314 139 1HG2 VAL 17 1HG2 VAL 17 -1.606 -2.069 -4.208 140 2HG2 VAL 17 2HG2 VAL 17 -3.068 -2.037 -5.222 141 3HG2 VAL 17 3HG2 VAL 17 -2.958 -3.174 -3.858 142 H GLU 18 H GLU 18 0.197 -4.820 -7.736 143 HA GLU 18 HA GLU 18 0.328 -7.471 -7.030 144 1HB GLU 18 1HB GLU 18 0.493 -5.964 -9.385 145 2HB GLU 18 2HB GLU 18 2.051 -6.764 -9.315 146 1HG GLU 18 1HG GLU 18 0.682 -8.937 -8.779 147 2HG GLU 18 2HG GLU 18 -0.709 -8.038 -9.351 148 H GLU 19 H GLU 19 2.796 -4.899 -6.974 149 HA GLU 19 HA GLU 19 5.041 -6.473 -6.875 150 1HB GLU 19 1HB GLU 19 5.259 -4.097 -7.163 151 2HB GLU 19 2HB GLU 19 4.395 -3.756 -5.677 152 1HG GLU 19 1HG GLU 19 6.728 -3.431 -5.182 153 2HG GLU 19 2HG GLU 19 6.272 -4.935 -4.407 154 H ILE 20 H ILE 20 2.594 -5.740 -4.402 155 HA ILE 20 HA ILE 20 4.178 -6.648 -2.218 156 HB ILE 20 HB ILE 20 1.281 -5.960 -2.617 157 1HG1 ILE 20 1HG1 ILE 20 2.031 -4.291 -0.750 158 2HG1 ILE 20 2HG1 ILE 20 3.655 -4.689 -1.273 159 1HG2 ILE 20 1HG2 ILE 20 1.170 -6.207 -0.053 160 2HG2 ILE 20 2HG2 ILE 20 1.034 -7.671 -1.056 161 3HG2 ILE 20 3HG2 ILE 20 2.570 -7.289 -0.242 162 1HD1 ILE 20 1HD1 ILE 20 3.409 -3.651 -3.324 163 2HD1 ILE 20 2HD1 ILE 20 1.682 -4.064 -3.443 164 3HD1 ILE 20 3HD1 ILE 20 2.204 -2.709 -2.413 165 H LYS 21 H LYS 21 1.793 -8.084 -4.481 166 HA LYS 21 HA LYS 21 1.296 -10.443 -3.183 167 1HB LYS 21 1HB LYS 21 1.268 -9.500 -6.000 168 2HB LYS 21 2HB LYS 21 1.297 -11.236 -5.773 169 1HG LYS 21 1HG LYS 21 -0.993 -10.907 -5.646 170 2HG LYS 21 2HG LYS 21 -0.601 -10.693 -3.951 171 1HD LYS 21 1HD LYS 21 -1.391 -8.571 -4.017 172 2HD LYS 21 2HD LYS 21 -0.200 -8.150 -5.232 173 1HE LYS 21 1HE LYS 21 -2.534 -7.726 -6.023 174 2HE LYS 21 2HE LYS 21 -1.698 -8.883 -7.040 175 1HZ LYS 21 1HZ LYS 21 -4.029 -9.421 -6.208 176 2HZ LYS 21 2HZ LYS 21 -2.909 -10.609 -6.175 177 3HZ LYS 21 3HZ LYS 21 -3.310 -9.825 -4.799 178 H LYS 22 H LYS 22 4.139 -9.476 -5.163 179 HA LYS 22 HA LYS 22 5.306 -12.076 -5.001 180 1HB LYS 22 1HB LYS 22 5.690 -9.718 -6.511 181 2HB LYS 22 2HB LYS 22 7.184 -9.971 -5.632 182 1HG LYS 22 1HG LYS 22 6.832 -12.513 -6.408 183 2HG LYS 22 2HG LYS 22 5.841 -11.774 -7.650 184 1HD LYS 22 1HD LYS 22 7.956 -11.797 -8.677 185 2HD LYS 22 2HD LYS 22 7.892 -10.171 -8.027 186 1HE LYS 22 1HE LYS 22 9.255 -10.792 -6.106 187 2HE LYS 22 2HE LYS 22 9.126 -12.498 -6.486 188 1HZ LYS 22 1HZ LYS 22 11.183 -11.179 -7.213 189 2HZ LYS 22 2HZ LYS 22 10.548 -12.279 -8.239 190 3HZ LYS 22 3HZ LYS 22 10.257 -10.688 -8.466 191 H VAL 23 H VAL 23 5.914 -8.864 -3.430 192 HA VAL 23 HA VAL 23 8.019 -9.652 -1.841 193 HB VAL 23 HB VAL 23 5.912 -7.548 -1.747 194 1HG1 VAL 23 1HG1 VAL 23 7.340 -6.726 0.359 195 2HG1 VAL 23 2HG1 VAL 23 5.879 -7.728 0.531 196 3HG1 VAL 23 3HG1 VAL 23 7.490 -8.482 0.610 197 1HG2 VAL 23 1HG2 VAL 23 7.601 -6.137 -2.343 198 2HG2 VAL 23 2HG2 VAL 23 8.820 -7.006 -1.381 199 3HG2 VAL 23 3HG2 VAL 23 8.304 -7.652 -2.957 200 H ALA 24 H ALA 24 4.480 -10.070 -1.406 201 HA ALA 24 HA ALA 24 4.768 -11.091 1.247 202 1HB ALA 24 1HB ALA 24 2.324 -11.712 0.830 203 2HB ALA 24 2HB ALA 24 2.725 -9.983 0.685 204 3HB ALA 24 3HB ALA 24 2.508 -10.972 -0.779 205 H GLN 25 H GLN 25 4.376 -12.439 -2.076 206 HA GLN 25 HA GLN 25 3.958 -15.039 -1.412 207 1HB GLN 25 1HB GLN 25 4.808 -13.534 -3.749 208 2HB GLN 25 2HB GLN 25 5.697 -15.042 -3.673 209 1HG GLN 25 1HG GLN 25 3.568 -16.311 -3.452 210 2HG GLN 25 2HG GLN 25 2.657 -14.814 -3.456 211 1HE2 GLN 25 1HE2 GLN 25 4.106 -17.254 -5.300 212 2HE2 GLN 25 2HE2 GLN 25 3.867 -16.606 -6.889 213 H GLU 26 H GLU 26 7.073 -13.231 -1.657 214 HA GLU 26 HA GLU 26 8.634 -15.523 -1.179 215 1HB GLU 26 1HB GLU 26 9.183 -13.076 -2.176 216 2HB GLU 26 2HB GLU 26 9.671 -12.779 -0.520 217 1HG GLU 26 1HG GLU 26 10.645 -15.364 -1.634 218 2HG GLU 26 2HG GLU 26 11.273 -13.947 -2.452 219 H ASN 27 H ASN 27 6.506 -13.826 0.808 220 HA ASN 27 HA ASN 27 8.076 -14.544 3.158 221 1HB ASN 27 1HB ASN 27 6.183 -12.244 2.593 222 2HB ASN 27 2HB ASN 27 6.305 -12.834 4.239 223 1HD2 ASN 27 1HD2 ASN 27 7.789 -11.083 1.693 224 2HD2 ASN 27 2HD2 ASN 27 9.232 -10.579 2.508 225 H ASN 28 H ASN 28 5.698 -15.634 1.173 226 HA ASN 28 HA ASN 28 3.913 -16.862 1.327 227 1HB ASN 28 1HB ASN 28 5.629 -18.225 2.712 228 2HB ASN 28 2HB ASN 28 4.835 -17.608 4.147 229 1HD2 ASN 28 1HD2 ASN 28 3.568 -19.056 5.001 230 2HD2 ASN 28 2HD2 ASN 28 2.498 -20.141 4.178 231 H ILE 29 H ILE 29 3.463 -14.151 2.062 232 HA ILE 29 HA ILE 29 1.776 -14.296 4.445 233 HB ILE 29 HB ILE 29 3.016 -12.027 2.907 234 1HG1 ILE 29 1HG1 ILE 29 3.234 -12.849 5.818 235 2HG1 ILE 29 2HG1 ILE 29 4.396 -13.264 4.573 236 1HG2 ILE 29 1HG2 ILE 29 0.802 -11.262 3.368 237 2HG2 ILE 29 2HG2 ILE 29 0.864 -11.894 5.031 238 3HG2 ILE 29 3HG2 ILE 29 1.892 -10.519 4.563 239 1HD1 ILE 29 1HD1 ILE 29 5.298 -11.310 5.583 240 2HD1 ILE 29 2HD1 ILE 29 4.534 -10.709 4.092 241 3HD1 ILE 29 3HD1 ILE 29 3.709 -10.511 5.656 242 H GLU 30 H GLU 30 -0.445 -13.949 4.371 243 HA GLU 30 HA GLU 30 -1.505 -13.839 1.656 244 1HB GLU 30 1HB GLU 30 -1.958 -15.713 3.757 245 2HB GLU 30 2HB GLU 30 -3.438 -14.785 3.612 246 1HG GLU 30 1HG GLU 30 -3.674 -15.333 1.269 247 2HG GLU 30 2HG GLU 30 -2.036 -15.947 1.170 248 H ASN 31 H ASN 31 -0.853 -11.854 4.156 249 HA ASN 31 HA ASN 31 -3.087 -10.177 3.489 250 1HB ASN 31 1HB ASN 31 -3.475 -11.631 5.712 251 2HB ASN 31 2HB ASN 31 -2.406 -10.445 6.434 252 1HD2 ASN 31 1HD2 ASN 31 -5.521 -11.209 5.951 253 2HD2 ASN 31 2HD2 ASN 31 -6.282 -9.654 5.993 254 HA PRO 32 HA PRO 32 1.034 -8.219 4.132 255 1HB PRO 32 1HB PRO 32 1.461 -7.304 1.593 256 2HB PRO 32 2HB PRO 32 2.105 -8.822 2.185 257 1HG PRO 32 1HG PRO 32 -0.165 -8.363 0.348 258 2HG PRO 32 2HG PRO 32 0.751 -9.833 0.615 259 1HD PRO 32 1HD PRO 32 -1.871 -9.240 1.615 260 2HD PRO 32 2HD PRO 32 -0.907 -10.658 1.976 261 H ILE 33 H ILE 33 0.825 -6.442 5.326 262 HA ILE 33 HA ILE 33 -1.001 -4.444 4.197 263 HB ILE 33 HB ILE 33 -0.130 -5.023 7.026 264 1HG1 ILE 33 1HG1 ILE 33 -2.937 -4.972 5.915 265 2HG1 ILE 33 2HG1 ILE 33 -1.944 -6.413 5.828 266 1HG2 ILE 33 1HG2 ILE 33 -1.827 -2.725 6.012 267 2HG2 ILE 33 2HG2 ILE 33 -1.555 -3.153 7.718 268 3HG2 ILE 33 3HG2 ILE 33 -0.194 -2.606 6.710 269 1HD1 ILE 33 1HD1 ILE 33 -2.059 -6.804 8.093 270 2HD1 ILE 33 2HD1 ILE 33 -2.011 -5.072 8.497 271 3HD1 ILE 33 3HD1 ILE 33 -3.535 -5.818 7.960 272 H LEU 34 H LEU 34 0.322 -3.293 2.798 273 HA LEU 34 HA LEU 34 2.891 -2.401 3.827 274 1HB LEU 34 1HB LEU 34 1.585 -2.349 1.113 275 2HB LEU 34 2HB LEU 34 3.062 -1.471 1.459 276 HG LEU 34 HG LEU 34 3.521 -3.604 0.370 277 1HD1 LEU 34 1HD1 LEU 34 5.159 -4.513 1.999 278 2HD1 LEU 34 2HD1 LEU 34 5.227 -2.742 1.836 279 3HD1 LEU 34 3HD1 LEU 34 4.441 -3.476 3.254 280 1HD2 LEU 34 1HD2 LEU 34 2.952 -5.716 1.235 281 2HD2 LEU 34 2HD2 LEU 34 2.463 -5.039 2.807 282 3HD2 LEU 34 3HD2 LEU 34 1.467 -4.742 1.361 283 H ARG 35 H ARG 35 3.419 -0.236 4.220 284 HA ARG 35 HA ARG 35 1.071 1.470 4.365 285 1HB ARG 35 1HB ARG 35 2.155 2.634 6.191 286 2HB ARG 35 2HB ARG 35 2.358 0.922 6.506 287 1HG ARG 35 1HG ARG 35 4.636 1.172 5.220 288 2HG ARG 35 2HG ARG 35 4.420 2.894 5.460 289 1HD ARG 35 1HD ARG 35 4.074 2.349 7.976 290 2HD ARG 35 2HD ARG 35 4.663 0.741 7.605 291 HE ARG 35 HE ARG 35 6.260 3.157 7.799 292 1HH1 ARG 35 2HH2 ARG 35 6.056 0.054 6.151 293 2HH1 ARG 35 1HH2 ARG 35 7.759 -0.040 5.847 294 1HH2 ARG 35 2HH1 ARG 35 8.506 3.033 7.398 295 2HH2 ARG 35 1HH1 ARG 35 9.162 1.665 6.561 296 H ILE 36 H ILE 36 1.203 3.666 3.568 297 HA ILE 36 HA ILE 36 3.438 4.055 1.713 298 HB ILE 36 HB ILE 36 0.546 4.624 1.641 299 1HG1 ILE 36 1HG1 ILE 36 0.808 4.099 -0.691 300 2HG1 ILE 36 2HG1 ILE 36 2.552 4.238 -0.594 301 1HG2 ILE 36 1HG2 ILE 36 1.477 6.908 1.772 302 2HG2 ILE 36 2HG2 ILE 36 2.502 6.553 0.361 303 3HG2 ILE 36 3HG2 ILE 36 0.730 6.557 0.196 304 1HD1 ILE 36 1HD1 ILE 36 0.948 2.219 1.036 305 2HD1 ILE 36 2HD1 ILE 36 1.684 1.854 -0.544 306 3HD1 ILE 36 3HD1 ILE 36 2.717 2.283 0.841 307 H ARG 37 H ARG 37 5.005 5.424 2.353 308 HA ARG 37 HA ARG 37 4.163 7.767 3.808 309 1HB ARG 37 1HB ARG 37 5.451 5.554 5.078 310 2HB ARG 37 2HB ARG 37 6.687 6.785 4.914 311 1HG ARG 37 1HG ARG 37 4.815 8.421 5.834 312 2HG ARG 37 2HG ARG 37 4.044 6.950 6.391 313 1HD ARG 37 1HD ARG 37 6.960 7.142 7.010 314 2HD ARG 37 2HD ARG 37 5.958 8.332 7.817 315 HE ARG 37 HE ARG 37 4.836 5.639 7.974 316 1HH1 ARG 37 2HH2 ARG 37 7.125 7.872 9.442 317 2HH1 ARG 37 1HH2 ARG 37 7.088 7.093 10.989 318 1HH2 ARG 37 2HH1 ARG 37 4.787 4.611 10.014 319 2HH2 ARG 37 1HH1 ARG 37 5.750 5.226 11.317 320 H VAL 38 H VAL 38 6.218 9.315 4.049 321 HA VAL 38 HA VAL 38 7.349 9.500 1.416 322 HB VAL 38 HB VAL 38 7.806 11.213 3.865 323 1HG1 VAL 38 1HG1 VAL 38 9.254 11.272 1.609 324 2HG1 VAL 38 2HG1 VAL 38 7.894 12.296 1.087 325 3HG1 VAL 38 3HG1 VAL 38 8.843 12.742 2.526 326 1HG2 VAL 38 1HG2 VAL 38 5.360 10.778 2.714 327 2HG2 VAL 38 2HG2 VAL 38 5.836 12.266 3.567 328 3HG2 VAL 38 3HG2 VAL 38 5.944 12.184 1.792 329 H VAL 39 H VAL 39 9.603 9.464 0.896 330 HA VAL 39 HA VAL 39 11.166 7.953 2.871 331 HB VAL 39 HB VAL 39 11.361 8.053 -0.146 332 1HG1 VAL 39 1HG1 VAL 39 13.034 6.296 0.053 333 2HG1 VAL 39 2HG1 VAL 39 13.553 7.735 0.964 334 3HG1 VAL 39 3HG1 VAL 39 12.892 6.325 1.827 335 1HG2 VAL 39 1HG2 VAL 39 10.373 5.920 -0.216 336 2HG2 VAL 39 2HG2 VAL 39 10.589 5.661 1.531 337 3HG2 VAL 39 3HG2 VAL 39 9.378 6.828 0.948 338 HA PRO 40 HA PRO 40 13.325 11.813 2.868 339 1HB PRO 40 1HB PRO 40 14.432 11.544 5.352 340 2HB PRO 40 2HB PRO 40 12.864 12.277 5.076 341 1HG PRO 40 1HG PRO 40 13.494 9.600 6.162 342 2HG PRO 40 2HG PRO 40 11.997 10.505 6.271 343 1HD PRO 40 1HD PRO 40 12.541 8.289 4.533 344 2HD PRO 40 2HD PRO 40 11.087 9.266 4.561 345 H GLY 41 H GLY 41 14.321 10.245 1.099 346 1HA GLY 41 1HA GLY 41 17.162 10.306 1.738 347 2HA GLY 41 2HA GLY 41 16.479 8.727 1.409 348 H GLY 42 H GLY 42 16.318 12.097 0.037 349 1HA GLY 42 1HA GLY 42 17.326 11.272 -2.491 350 2HA GLY 42 2HA GLY 42 15.581 11.424 -2.540 351 H CYS 43 H CYS 43 18.651 13.119 -2.355 352 HA CYS 43 HA CYS 43 17.729 15.614 -1.539 353 1HB CYS 43 1HB CYS 43 20.179 14.487 -2.635 354 2HB CYS 43 2HB CYS 43 19.867 16.077 -3.301 355 HG CYS 43 HG CYS 43 19.604 15.268 -0.101 356 H SER 44 H SER 44 18.110 14.053 -4.788 357 HA SER 44 HA SER 44 16.714 16.324 -5.934 358 1HB SER 44 1HB SER 44 18.546 14.191 -7.016 359 2HB SER 44 2HB SER 44 17.376 14.900 -8.112 360 HG SER 44 HG SER 44 18.505 16.945 -6.754 361 H GLY 45 H GLY 45 16.673 12.712 -5.705 362 1HA GLY 45 1HA GLY 45 14.163 12.487 -7.100 363 2HA GLY 45 2HA GLY 45 15.073 11.214 -6.310 364 H PHE 46 H PHE 46 12.265 11.366 -6.063 365 HA PHE 46 HA PHE 46 12.037 11.418 -3.238 366 1HB PHE 46 1HB PHE 46 10.314 13.244 -3.198 367 2HB PHE 46 2HB PHE 46 11.839 13.866 -3.796 368 HD1 PHE 46 1HD PHE 46 8.377 13.158 -4.602 369 HD2 PHE 46 2HD PHE 46 12.123 14.334 -6.212 370 HE1 PHE 46 1HE PHE 46 7.227 13.987 -6.673 371 HE2 PHE 46 2HE PHE 46 10.973 15.163 -8.283 372 HZ PHE 46 HZ PHE 46 8.538 14.979 -8.489 373 H GLN 47 H GLN 47 10.981 9.492 -3.050 374 HA GLN 47 HA GLN 47 8.403 9.311 -4.269 375 1HB GLN 47 1HB GLN 47 9.047 6.903 -5.112 376 2HB GLN 47 2HB GLN 47 9.418 8.295 -6.110 377 1HG GLN 47 1HG GLN 47 11.435 7.219 -4.103 378 2HG GLN 47 2HG GLN 47 11.304 6.533 -5.710 379 1HE2 GLN 47 1HE2 GLN 47 12.982 8.631 -3.915 380 2HE2 GLN 47 2HE2 GLN 47 13.520 9.775 -5.099 381 H TYR 48 H TYR 48 7.034 7.745 -3.200 382 HA TYR 48 HA TYR 48 7.895 7.198 -0.521 383 1HB TYR 48 1HB TYR 48 5.436 6.743 -2.301 384 2HB TYR 48 2HB TYR 48 5.475 6.081 -0.679 385 HD1 TYR 48 1HD TYR 48 6.333 9.387 -2.260 386 HD2 TYR 48 2HD TYR 48 4.279 7.313 0.867 387 HE1 TYR 48 1HE TYR 48 5.498 11.601 -1.331 388 HE2 TYR 48 2HE TYR 48 3.450 9.534 1.786 389 HH TYR 48 HH TYR 48 4.515 12.589 0.349 390 H ALA 49 H ALA 49 8.053 5.128 0.492 391 HA ALA 49 HA ALA 49 8.324 2.904 -1.412 392 1HB ALA 49 1HB ALA 49 10.544 3.660 -0.769 393 2HB ALA 49 2HB ALA 49 10.093 3.643 0.953 394 3HB ALA 49 3HB ALA 49 10.204 2.115 0.047 395 H MET 50 H MET 50 7.704 0.816 -0.600 396 HA MET 50 HA MET 50 5.903 1.076 1.667 397 1HB MET 50 1HB MET 50 4.840 -0.987 0.719 398 2HB MET 50 2HB MET 50 4.932 0.277 -0.492 399 1HG MET 50 1HG MET 50 7.391 -1.092 -0.749 400 2HG MET 50 2HG MET 50 6.224 -2.368 -0.463 401 1HE MET 50 1HE MET 50 6.661 -3.334 -2.961 402 2HE MET 50 2HE MET 50 5.055 -3.445 -2.201 403 3HE MET 50 3HE MET 50 5.198 -3.002 -3.919 404 H GLY 51 H GLY 51 5.641 -1.114 2.956 405 1HA GLY 51 1HA GLY 51 7.739 -2.959 3.093 406 2HA GLY 51 2HA GLY 51 8.098 -1.660 4.214 407 H PHE 52 H PHE 52 6.700 -4.662 4.017 408 HA PHE 52 HA PHE 52 4.318 -4.297 5.475 409 1HB PHE 52 1HB PHE 52 4.747 -6.834 5.859 410 2HB PHE 52 2HB PHE 52 4.703 -6.328 4.182 411 HD1 PHE 52 1HD PHE 52 6.911 -7.359 6.938 412 HD2 PHE 52 2HD PHE 52 6.659 -6.442 2.802 413 HE1 PHE 52 1HE PHE 52 9.191 -8.347 6.579 414 HE2 PHE 52 2HE PHE 52 8.938 -7.430 2.444 415 HZ PHE 52 HZ PHE 52 10.177 -8.371 4.337 416 H ASP 53 H ASP 53 4.101 -3.675 7.567 417 HA ASP 53 HA ASP 53 6.398 -4.094 9.286 418 1HB ASP 53 1HB ASP 53 4.628 -1.926 8.900 419 2HB ASP 53 2HB ASP 53 4.132 -2.608 10.436 420 H ASP 54 H ASP 54 5.526 -4.388 11.777 421 HA ASP 54 HA ASP 54 4.587 -6.870 12.037 422 1HB ASP 54 1HB ASP 54 4.728 -4.463 13.752 423 2HB ASP 54 2HB ASP 54 3.473 -5.575 14.261 424 H THR 55 H THR 55 2.655 -3.784 12.192 425 HA THR 55 HA THR 55 0.414 -4.978 10.918 426 HB THR 55 HB THR 55 0.481 -5.800 13.461 427 HG1 THR 55 1HG THR 55 -1.415 -6.252 12.366 428 1HG2 THR 55 1HG2 THR 55 -1.225 -3.340 13.828 429 2HG2 THR 55 2HG2 THR 55 -0.402 -4.332 15.056 430 3HG2 THR 55 3HG2 THR 55 0.527 -3.166 14.085 431 H VAL 56 H VAL 56 -1.601 -3.312 11.394 432 HA VAL 56 HA VAL 56 -0.564 -0.855 10.357 433 HB VAL 56 HB VAL 56 -2.652 -2.060 9.622 434 1HG1 VAL 56 1HG1 VAL 56 -3.490 -1.228 12.375 435 2HG1 VAL 56 2HG1 VAL 56 -4.698 -1.193 11.069 436 3HG1 VAL 56 3HG1 VAL 56 -3.860 -2.712 11.466 437 1HG2 VAL 56 1HG2 VAL 56 -2.015 0.443 9.277 438 2HG2 VAL 56 2HG2 VAL 56 -3.673 -0.092 8.914 439 3HG2 VAL 56 3HG2 VAL 56 -3.326 0.760 10.438 440 H GLU 57 H GLU 57 -1.057 1.291 11.292 441 HA GLU 57 HA GLU 57 -0.383 1.290 14.027 442 1HB GLU 57 1HB GLU 57 -1.329 3.667 12.376 443 2HB GLU 57 2HB GLU 57 -0.318 3.704 13.807 444 1HG GLU 57 1HG GLU 57 1.439 2.385 12.548 445 2HG GLU 57 2HG GLU 57 0.438 2.478 11.112 446 H GLU 58 H GLU 58 -1.691 2.900 15.563 447 HA GLU 58 HA GLU 58 -4.314 1.774 15.673 448 1HB GLU 58 1HB GLU 58 -2.508 2.439 17.596 449 2HB GLU 58 2HB GLU 58 -3.475 3.900 17.609 450 1HG GLU 58 1HG GLU 58 -5.546 2.533 17.919 451 2HG GLU 58 2HG GLU 58 -4.586 1.067 17.892 452 H GLY 59 H GLY 59 -3.420 3.833 13.544 453 1HA GLY 59 1HA GLY 59 -5.856 5.240 13.376 454 2HA GLY 59 2HA GLY 59 -4.625 6.308 14.019 455 H ASP 60 H ASP 60 -4.736 3.694 11.483 456 HA ASP 60 HA ASP 60 -3.336 5.582 9.759 457 1HB ASP 60 1HB ASP 60 -2.545 3.048 10.510 458 2HB ASP 60 2HB ASP 60 -3.408 2.687 9.028 459 H HIS 61 H HIS 61 -3.871 5.146 7.308 460 HA HIS 61 HA HIS 61 -6.710 5.129 7.057 461 1HB HIS 61 1HB HIS 61 -5.470 6.701 5.758 462 2HB HIS 61 2HB HIS 61 -4.429 5.454 5.100 463 HD1 HIS 61 1HD HIS 61 -7.822 4.178 5.057 464 HD2 HIS 61 2HD HIS 61 -5.562 6.745 2.628 465 HE1 HIS 61 1HE HIS 61 -9.025 4.278 2.809 466 H VAL 62 H VAL 62 -7.638 3.131 7.423 467 HA VAL 62 HA VAL 62 -6.404 0.756 6.418 468 HB VAL 62 HB VAL 62 -8.429 1.506 8.292 469 1HG1 VAL 62 1HG1 VAL 62 -10.187 0.964 6.829 470 2HG1 VAL 62 2HG1 VAL 62 -9.311 -0.422 6.139 471 3HG1 VAL 62 3HG1 VAL 62 -9.954 -0.512 7.796 472 1HG2 VAL 62 1HG2 VAL 62 -6.876 -1.001 7.642 473 2HG2 VAL 62 2HG2 VAL 62 -6.688 0.113 9.018 474 3HG2 VAL 62 3HG2 VAL 62 -8.096 -0.973 8.937 475 H PHE 63 H PHE 63 -6.274 0.629 4.204 476 HA PHE 63 HA PHE 63 -8.803 1.041 2.770 477 1HB PHE 63 1HB PHE 63 -6.266 2.256 2.491 478 2HB PHE 63 2HB PHE 63 -6.214 0.993 1.277 479 HD1 PHE 63 1HD PHE 63 -6.185 4.021 0.841 480 HD2 PHE 63 2HD PHE 63 -9.320 1.161 0.787 481 HE1 PHE 63 1HE PHE 63 -7.489 5.480 -0.732 482 HE2 PHE 63 2HE PHE 63 -10.624 2.620 -0.786 483 HZ PHE 63 HZ PHE 63 -9.693 4.761 -1.526 484 H GLU 64 H GLU 64 -9.715 -0.895 2.265 485 HA GLU 64 HA GLU 64 -8.067 -3.209 2.109 486 1HB GLU 64 1HB GLU 64 -11.046 -2.817 1.580 487 2HB GLU 64 2HB GLU 64 -10.247 -4.375 1.645 488 1HG GLU 64 1HG GLU 64 -9.463 -3.780 4.006 489 2HG GLU 64 2HG GLU 64 -10.470 -2.349 3.918 490 H TYR 65 H TYR 65 -7.177 -4.114 0.290 491 HA TYR 65 HA TYR 65 -8.048 -2.979 -2.280 492 1HB TYR 65 1HB TYR 65 -5.465 -3.789 -0.938 493 2HB TYR 65 2HB TYR 65 -5.572 -4.212 -2.635 494 HD1 TYR 65 1HD TYR 65 -6.274 -2.265 -4.265 495 HD2 TYR 65 2HD TYR 65 -4.717 -1.662 -0.326 496 HE1 TYR 65 1HE TYR 65 -5.587 0.102 -4.891 497 HE2 TYR 65 2HE TYR 65 -4.035 0.703 -0.965 498 HH TYR 65 HH TYR 65 -3.638 1.727 -3.911 499 H ASP 66 H ASP 66 -6.701 -4.868 -3.929 500 HA ASP 66 HA ASP 66 -8.653 -6.823 -4.057 501 1HB ASP 66 1HB ASP 66 -6.948 -5.916 -5.847 502 2HB ASP 66 2HB ASP 66 -5.865 -7.143 -5.222 503 H GLY 67 H GLY 67 -8.419 -7.497 -1.643 504 1HA GLY 67 1HA GLY 67 -8.029 -9.398 -0.405 505 2HA GLY 67 2HA GLY 67 -6.750 -9.879 -1.503 506 H VAL 68 H VAL 68 -5.485 -7.120 -1.446 507 HA VAL 68 HA VAL 68 -4.081 -7.517 1.078 508 HB VAL 68 HB VAL 68 -3.254 -5.592 -1.059 509 1HG1 VAL 68 1HG1 VAL 68 -1.916 -7.246 1.071 510 2HG1 VAL 68 2HG1 VAL 68 -0.987 -6.668 -0.333 511 3HG1 VAL 68 3HG1 VAL 68 -1.791 -5.501 0.745 512 1HG2 VAL 68 1HG2 VAL 68 -3.369 -7.224 -2.609 513 2HG2 VAL 68 2HG2 VAL 68 -1.927 -7.874 -1.792 514 3HG2 VAL 68 3HG2 VAL 68 -3.540 -8.510 -1.390 515 H LYS 69 H LYS 69 -3.220 -5.279 2.021 516 HA LYS 69 HA LYS 69 -5.304 -3.255 1.839 517 1HB LYS 69 1HB LYS 69 -5.922 -4.874 3.670 518 2HB LYS 69 2HB LYS 69 -4.449 -4.419 4.503 519 1HG LYS 69 1HG LYS 69 -5.579 -1.941 3.859 520 2HG LYS 69 2HG LYS 69 -6.986 -2.922 4.220 521 1HD LYS 69 1HD LYS 69 -4.616 -3.050 6.094 522 2HD LYS 69 2HD LYS 69 -5.663 -1.646 6.163 523 1HE LYS 69 1HE LYS 69 -6.768 -3.021 7.681 524 2HE LYS 69 2HE LYS 69 -7.609 -3.481 6.213 525 1HZ LYS 69 1HZ LYS 69 -6.586 -5.465 6.173 526 2HZ LYS 69 2HZ LYS 69 -5.183 -4.925 6.811 527 3HZ LYS 69 3HZ LYS 69 -6.461 -5.221 7.783 528 H VAL 70 H VAL 70 -4.574 -1.143 2.426 529 HA VAL 70 HA VAL 70 -1.671 -0.999 2.855 530 HB VAL 70 HB VAL 70 -3.425 0.603 0.989 531 1HG1 VAL 70 1HG1 VAL 70 -1.919 2.139 2.139 532 2HG1 VAL 70 2HG1 VAL 70 -0.529 1.092 1.765 533 3HG1 VAL 70 3HG1 VAL 70 -1.401 1.917 0.451 534 1HG2 VAL 70 1HG2 VAL 70 -0.879 -0.626 0.085 535 2HG2 VAL 70 2HG2 VAL 70 -2.189 -1.757 0.500 536 3HG2 VAL 70 3HG2 VAL 70 -2.454 -0.504 -0.736 537 H VAL 71 H VAL 71 -0.983 1.104 3.873 538 HA VAL 71 HA VAL 71 -3.110 2.465 5.305 539 HB VAL 71 HB VAL 71 -2.384 1.968 7.437 540 1HG1 VAL 71 1HG1 VAL 71 -2.106 -0.543 7.544 541 2HG1 VAL 71 2HG1 VAL 71 -3.505 0.030 6.606 542 3HG1 VAL 71 3HG1 VAL 71 -2.042 -0.538 5.765 543 1HG2 VAL 71 1HG2 VAL 71 -0.191 0.666 7.824 544 2HG2 VAL 71 2HG2 VAL 71 0.226 1.143 6.160 545 3HG2 VAL 71 3HG2 VAL 71 -0.075 2.389 7.394 546 H ILE 72 H ILE 72 -2.743 4.546 4.736 547 HA ILE 72 HA ILE 72 0.021 5.364 4.306 548 HB ILE 72 HB ILE 72 -2.453 6.985 3.766 549 1HG1 ILE 72 1HG1 ILE 72 -1.511 5.734 1.377 550 2HG1 ILE 72 2HG1 ILE 72 -1.791 4.475 2.563 551 1HG2 ILE 72 1HG2 ILE 72 -0.460 7.377 1.822 552 2HG2 ILE 72 2HG2 ILE 72 -0.954 8.488 3.122 553 3HG2 ILE 72 3HG2 ILE 72 0.383 7.344 3.389 554 1HD1 ILE 72 1HD1 ILE 72 -3.861 4.914 1.310 555 2HD1 ILE 72 2HD1 ILE 72 -4.075 5.410 3.006 556 3HD1 ILE 72 3HD1 ILE 72 -3.787 6.638 1.749 557 H ASP 73 H ASP 73 0.863 7.325 5.304 558 HA ASP 73 HA ASP 73 0.161 7.406 8.027 559 1HB ASP 73 1HB ASP 73 2.243 8.475 6.258 560 2HB ASP 73 2HB ASP 73 1.736 9.689 7.416 561 HA PRO 74 HA PRO 74 -2.577 10.828 7.868 562 1HB PRO 74 1HB PRO 74 -2.206 12.019 10.299 563 2HB PRO 74 2HB PRO 74 -3.180 10.580 10.076 564 1HG PRO 74 1HG PRO 74 -0.472 10.822 11.236 565 2HG PRO 74 2HG PRO 74 -1.617 9.504 11.387 566 1HD PRO 74 1HD PRO 74 0.713 9.571 9.715 567 2HD PRO 74 2HD PRO 74 -0.495 8.303 9.780 568 H PHE 75 H PHE 75 0.758 11.450 8.395 569 HA PHE 75 HA PHE 75 0.383 14.263 7.807 570 1HB PHE 75 1HB PHE 75 2.117 12.775 9.380 571 2HB PHE 75 2HB PHE 75 3.078 12.902 7.920 572 HD1 PHE 75 1HD PHE 75 1.830 14.640 10.831 573 HD2 PHE 75 2HD PHE 75 3.738 15.156 7.076 574 HE1 PHE 75 1HE PHE 75 2.589 16.928 11.531 575 HE2 PHE 75 2HE PHE 75 4.498 17.443 7.776 576 HZ PHE 75 HZ PHE 75 3.914 18.302 9.995 577 H SER 76 H SER 76 1.415 11.227 6.266 578 HA SER 76 HA SER 76 2.485 12.669 4.022 579 1HB SER 76 1HB SER 76 3.487 10.683 3.414 580 2HB SER 76 2HB SER 76 3.261 10.349 5.119 581 HG SER 76 HG SER 76 1.031 9.484 4.278 582 H MET 77 H MET 77 -0.521 11.304 5.128 583 HA MET 77 HA MET 77 -1.637 10.473 2.759 584 1HB MET 77 1HB MET 77 -2.484 11.203 5.482 585 2HB MET 77 2HB MET 77 -3.694 11.705 4.318 586 1HG MET 77 1HG MET 77 -2.558 8.888 4.651 587 2HG MET 77 2HG MET 77 -4.181 9.411 5.054 588 1HE MET 77 1HE MET 77 -5.611 10.781 3.223 589 2HE MET 77 2HE MET 77 -4.288 11.552 2.315 590 3HE MET 77 3HE MET 77 -5.466 10.521 1.468 591 HA PRO 78 HA PRO 78 -3.099 14.958 2.217 592 1HB PRO 78 1HB PRO 78 -2.022 16.935 3.764 593 2HB PRO 78 2HB PRO 78 -3.546 16.153 4.133 594 1HG PRO 78 1HG PRO 78 -0.914 15.787 5.428 595 2HG PRO 78 2HG PRO 78 -2.503 15.358 6.030 596 1HD PRO 78 1HD PRO 78 -0.545 13.573 4.932 597 2HD PRO 78 2HD PRO 78 -2.176 13.164 5.425 598 H TYR 79 H TYR 79 -0.121 13.710 2.219 599 HA TYR 79 HA TYR 79 1.027 15.946 0.725 600 1HB TYR 79 1HB TYR 79 1.937 14.116 2.664 601 2HB TYR 79 2HB TYR 79 2.487 13.360 1.181 602 HD1 TYR 79 1HD TYR 79 4.137 14.505 -0.278 603 HD2 TYR 79 2HD TYR 79 2.944 16.159 3.483 604 HE1 TYR 79 1HE TYR 79 6.155 16.051 -0.310 605 HE2 TYR 79 2HE TYR 79 4.966 17.699 3.438 606 HH TYR 79 HH TYR 79 6.540 18.532 0.936 607 H VAL 80 H VAL 80 -0.567 12.882 0.305 608 HA VAL 80 HA VAL 80 0.137 12.987 -2.532 609 HB VAL 80 HB VAL 80 0.750 10.787 -2.665 610 1HG1 VAL 80 1HG1 VAL 80 2.579 10.553 -1.289 611 2HG1 VAL 80 2HG1 VAL 80 2.208 12.275 -1.028 612 3HG1 VAL 80 3HG1 VAL 80 1.690 11.061 0.167 613 1HG2 VAL 80 1HG2 VAL 80 -1.027 10.418 -0.300 614 2HG2 VAL 80 2HG2 VAL 80 -0.880 9.455 -1.790 615 3HG2 VAL 80 3HG2 VAL 80 0.323 9.274 -0.491 616 H ASN 81 H ASN 81 -2.150 14.054 -1.074 617 HA ASN 81 HA ASN 81 -4.290 12.493 -0.817 618 1HB ASN 81 1HB ASN 81 -4.501 14.858 -0.383 619 2HB ASN 81 2HB ASN 81 -4.010 15.285 -2.011 620 1HD2 ASN 81 1HD2 ASN 81 -6.558 14.032 0.016 621 2HD2 ASN 81 2HD2 ASN 81 -7.878 14.230 -1.089 622 H GLY 82 H GLY 82 -5.594 11.247 -2.203 623 1HA GLY 82 1HA GLY 82 -6.110 10.114 -4.091 624 2HA GLY 82 2HA GLY 82 -6.397 11.719 -4.732 625 H ALA 83 H ALA 83 -3.138 10.769 -3.680 626 HA ALA 83 HA ALA 83 -2.130 11.285 -6.301 627 1HB ALA 83 1HB ALA 83 -0.993 11.895 -4.142 628 2HB ALA 83 2HB ALA 83 -0.722 10.161 -3.847 629 3HB ALA 83 3HB ALA 83 0.032 10.953 -5.251 630 H GLU 84 H GLU 84 -0.841 9.743 -7.578 631 HA GLU 84 HA GLU 84 -1.849 7.035 -7.174 632 1HB GLU 84 1HB GLU 84 -1.310 8.649 -9.677 633 2HB GLU 84 2HB GLU 84 -1.256 6.899 -9.747 634 1HG GLU 84 1HG GLU 84 -3.533 6.673 -9.447 635 2HG GLU 84 2HG GLU 84 -3.628 8.012 -8.320 636 H LEU 85 H LEU 85 -0.262 5.820 -6.223 637 HA LEU 85 HA LEU 85 2.503 6.459 -6.763 638 1HB LEU 85 1HB LEU 85 2.365 5.992 -4.571 639 2HB LEU 85 2HB LEU 85 0.971 4.946 -4.754 640 HG LEU 85 HG LEU 85 2.537 3.182 -5.684 641 1HD1 LEU 85 1HD1 LEU 85 4.938 3.978 -4.444 642 2HD1 LEU 85 2HD1 LEU 85 4.623 3.746 -6.181 643 3HD1 LEU 85 3HD1 LEU 85 4.412 5.353 -5.445 644 1HD2 LEU 85 1HD2 LEU 85 2.498 2.285 -3.648 645 2HD2 LEU 85 2HD2 LEU 85 3.590 3.528 -2.993 646 3HD2 LEU 85 3HD2 LEU 85 1.839 3.835 -3.074 647 H ASP 86 H ASP 86 3.310 5.793 -8.690 648 HA ASP 86 HA ASP 86 2.342 3.268 -9.715 649 1HB ASP 86 1HB ASP 86 2.616 5.526 -11.053 650 2HB ASP 86 2HB ASP 86 4.319 5.116 -11.094 651 H TYR 87 H TYR 87 3.544 1.537 -8.876 652 HA TYR 87 HA TYR 87 6.332 1.932 -8.218 653 1HB TYR 87 1HB TYR 87 4.347 0.567 -7.038 654 2HB TYR 87 2HB TYR 87 4.680 -0.650 -8.255 655 HD1 TYR 87 1HD TYR 87 5.853 0.931 -5.178 656 HD2 TYR 87 2HD TYR 87 6.846 -1.863 -8.262 657 HE1 TYR 87 1HE TYR 87 7.708 -0.025 -3.725 658 HE2 TYR 87 2HE TYR 87 8.698 -2.809 -6.800 659 HH TYR 87 HH TYR 87 9.315 -2.951 -4.549 660 H VAL 88 H VAL 88 7.849 1.803 -9.799 661 HA VAL 88 HA VAL 88 7.328 0.541 -12.268 662 HB VAL 88 HB VAL 88 9.867 1.535 -10.962 663 1HG1 VAL 88 1HG1 VAL 88 9.343 0.433 -13.722 664 2HG1 VAL 88 2HG1 VAL 88 10.637 1.621 -13.432 665 3HG1 VAL 88 3HG1 VAL 88 10.662 0.053 -12.590 666 1HG2 VAL 88 1HG2 VAL 88 7.787 3.057 -11.654 667 2HG2 VAL 88 2HG2 VAL 88 9.470 3.587 -11.891 668 3HG2 VAL 88 3HG2 VAL 88 8.547 2.918 -13.258 669 H VAL 89 H VAL 89 8.246 -1.398 -13.152 670 HA VAL 89 HA VAL 89 9.285 -3.237 -11.115 671 HB VAL 89 HB VAL 89 7.339 -3.957 -13.311 672 1HG1 VAL 89 1HG1 VAL 89 7.157 -5.889 -11.380 673 2HG1 VAL 89 2HG1 VAL 89 8.169 -6.000 -12.840 674 3HG1 VAL 89 3HG1 VAL 89 8.884 -5.468 -11.299 675 1HG2 VAL 89 1HG2 VAL 89 6.115 -4.289 -10.787 676 2HG2 VAL 89 2HG2 VAL 89 6.835 -2.662 -10.780 677 3HG2 VAL 89 3HG2 VAL 89 5.690 -3.122 -12.062 678 H ASP 90 H ASP 90 11.292 -3.913 -11.646 679 HA ASP 90 HA ASP 90 11.835 -4.721 -14.295 680 1HB ASP 90 1HB ASP 90 13.263 -2.263 -13.177 681 2HB ASP 90 2HB ASP 90 13.804 -3.148 -14.590 682 H PHE 91 H PHE 91 14.573 -4.960 -14.284 683 HA PHE 91 HA PHE 91 16.029 -6.464 -13.467 684 1HB PHE 91 1HB PHE 91 16.268 -3.955 -12.451 685 2HB PHE 91 2HB PHE 91 15.920 -4.769 -10.938 686 HD1 PHE 91 1HD PHE 91 17.850 -4.991 -9.706 687 HD2 PHE 91 2HD PHE 91 18.027 -5.687 -13.889 688 HE1 PHE 91 1HE PHE 91 20.267 -5.634 -9.497 689 HE2 PHE 91 2HE PHE 91 20.444 -6.330 -13.679 690 HZ PHE 91 HZ PHE 91 21.536 -6.295 -11.486 691 H MET 92 H MET 92 16.447 -6.537 -10.356 692 HA MET 92 HA MET 92 14.684 -8.794 -10.028 693 1HB MET 92 1HB MET 92 17.324 -7.925 -9.068 694 2HB MET 92 2HB MET 92 16.322 -8.405 -7.712 695 1HG MET 92 1HG MET 92 15.778 -10.454 -9.468 696 2HG MET 92 2HG MET 92 17.421 -10.069 -9.940 697 1HE MET 92 1HE MET 92 19.008 -12.525 -7.742 698 2HE MET 92 2HE MET 92 18.389 -12.150 -9.368 699 3HE MET 92 3HE MET 92 19.521 -11.033 -8.568 700 H GLY 93 H GLY 93 13.729 -5.905 -9.910 701 1HA GLY 93 1HA GLY 93 12.035 -6.197 -7.633 702 2HA GLY 93 2HA GLY 93 13.272 -4.987 -7.354 703 H GLY 94 H GLY 94 13.226 -2.989 -8.467 704 1HA GLY 94 1HA GLY 94 11.948 -2.311 -10.761 705 2HA GLY 94 2HA GLY 94 10.660 -2.283 -9.573 706 H GLY 95 H GLY 95 10.270 -0.153 -9.096 707 1HA GLY 95 1HA GLY 95 12.215 1.344 -7.662 708 2HA GLY 95 2HA GLY 95 12.067 1.939 -9.303 709 H PHE 96 H PHE 96 11.204 3.002 -6.518 710 HA PHE 96 HA PHE 96 8.344 3.049 -6.701 711 1HB PHE 96 1HB PHE 96 10.138 4.915 -5.078 712 2HB PHE 96 2HB PHE 96 8.577 4.264 -4.617 713 HD1 PHE 96 1HD PHE 96 12.151 3.738 -4.602 714 HD2 PHE 96 2HD PHE 96 8.400 1.874 -3.919 715 HE1 PHE 96 1HE PHE 96 13.293 1.908 -3.318 716 HE2 PHE 96 2HE PHE 96 9.542 0.045 -2.636 717 HZ PHE 96 HZ PHE 96 11.975 0.083 -2.350 718 H THR 97 H THR 97 7.014 4.790 -7.310 719 HA THR 97 HA THR 97 8.264 7.267 -8.142 720 HB THR 97 HB THR 97 7.317 5.121 -10.015 721 HG1 THR 97 1HG THR 97 9.535 6.063 -9.730 722 1HG2 THR 97 1HG2 THR 97 7.053 7.227 -11.669 723 2HG2 THR 97 2HG2 THR 97 5.645 6.578 -10.795 724 3HG2 THR 97 3HG2 THR 97 6.484 8.024 -10.183 725 H ILE 98 H ILE 98 7.002 8.962 -7.652 726 HA ILE 98 HA ILE 98 4.134 8.429 -7.384 727 HB ILE 98 HB ILE 98 5.358 8.338 -5.181 728 1HG1 ILE 98 1HG1 ILE 98 3.629 10.369 -4.398 729 2HG1 ILE 98 2HG1 ILE 98 2.940 9.816 -5.912 730 1HG2 ILE 98 1HG2 ILE 98 6.902 10.270 -5.831 731 2HG2 ILE 98 2HG2 ILE 98 5.541 11.340 -5.417 732 3HG2 ILE 98 3HG2 ILE 98 6.238 10.267 -4.180 733 1HD1 ILE 98 1HD1 ILE 98 2.945 8.496 -3.321 734 2HD1 ILE 98 2HD1 ILE 98 2.066 8.048 -4.802 735 3HD1 ILE 98 3HD1 ILE 98 3.722 7.453 -4.536 736 H ARG 99 H ARG 99 2.917 9.860 -8.507 737 HA ARG 99 HA ARG 99 4.300 12.287 -9.325 738 1HB ARG 99 1HB ARG 99 2.928 10.280 -10.859 739 2HB ARG 99 2HB ARG 99 1.948 11.730 -10.944 740 1HG ARG 99 1HG ARG 99 4.068 13.023 -11.561 741 2HG ARG 99 2HG ARG 99 4.904 11.487 -11.665 742 1HD ARG 99 1HD ARG 99 2.940 10.798 -13.295 743 2HD ARG 99 2HD ARG 99 2.645 12.521 -13.412 744 HE ARG 99 HE ARG 99 4.649 12.779 -14.621 745 1HH1 ARG 99 2HH2 ARG 99 4.524 9.568 -13.187 746 2HH1 ARG 99 1HH2 ARG 99 5.898 8.983 -14.066 747 1HH2 ARG 99 2HH1 ARG 99 6.461 12.008 -15.781 748 2HH2 ARG 99 1HH1 ARG 99 7.006 10.380 -15.551 749 H ASN 100 H ASN 100 3.361 14.255 -8.759 750 HA ASN 100 HA ASN 100 0.581 14.165 -7.929 751 1HB ASN 100 1HB ASN 100 1.088 15.559 -5.945 752 2HB ASN 100 2HB ASN 100 2.012 14.071 -5.869 753 1HD2 ASN 100 1HD2 ASN 100 4.177 14.103 -5.886 754 2HD2 ASN 100 2HD2 ASN 100 5.162 15.526 -5.962 755 HA PRO 101 HA PRO 101 0.660 17.844 -10.331 756 1HB PRO 101 1HB PRO 101 -1.814 18.848 -9.746 757 2HB PRO 101 2HB PRO 101 -1.548 17.589 -10.935 758 1HG PRO 101 1HG PRO 101 -2.660 17.356 -8.206 759 2HG PRO 101 2HG PRO 101 -2.776 16.224 -9.539 760 1HD PRO 101 1HD PRO 101 -1.060 16.011 -7.251 761 2HD PRO 101 2HD PRO 101 -1.094 14.942 -8.639 Start of MODEL 13 1 H MET 1 H MET 1 -22.167 8.266 12.605 2 HA MET 1 HA MET 1 -22.548 8.324 14.744 3 1HB MET 1 1HB MET 1 -22.783 5.462 13.994 4 2HB MET 1 2HB MET 1 -22.411 5.663 15.695 5 1HG MET 1 1HG MET 1 -24.368 7.075 16.044 6 2HG MET 1 2HG MET 1 -24.662 7.200 14.321 7 1HE MET 1 1HE MET 1 -26.546 4.856 17.180 8 2HE MET 1 2HE MET 1 -26.271 6.557 16.735 9 3HE MET 1 3HE MET 1 -27.501 5.600 15.875 10 H GLN 2 H GLN 2 -20.343 9.358 14.890 11 HA GLN 2 HA GLN 2 -18.382 9.614 15.793 12 1HB GLN 2 1HB GLN 2 -20.015 8.425 17.759 13 2HB GLN 2 2HB GLN 2 -18.501 7.552 17.877 14 1HG GLN 2 1HG GLN 2 -17.374 9.364 18.706 15 2HG GLN 2 2HG GLN 2 -18.114 10.469 17.565 16 1HE2 GLN 2 1HE2 GLN 2 -17.990 9.397 20.742 17 2HE2 GLN 2 2HE2 GLN 2 -19.385 10.194 21.390 18 H GLU 3 H GLU 3 -17.357 8.711 13.839 19 HA GLU 3 HA GLU 3 -15.840 6.357 14.551 20 1HB GLU 3 1HB GLU 3 -17.936 6.393 12.537 21 2HB GLU 3 2HB GLU 3 -16.392 6.089 11.766 22 1HG GLU 3 1HG GLU 3 -15.941 4.262 13.441 23 2HG GLU 3 2HG GLU 3 -17.517 4.547 14.153 24 H GLN 4 H GLN 4 -13.832 6.133 13.218 25 HA GLN 4 HA GLN 4 -12.979 8.780 12.393 26 1HB GLN 4 1HB GLN 4 -11.776 6.745 13.960 27 2HB GLN 4 2HB GLN 4 -10.863 6.769 12.465 28 1HG GLN 4 1HG GLN 4 -11.503 9.463 13.575 29 2HG GLN 4 2HG GLN 4 -10.442 8.493 14.578 30 1HE2 GLN 4 1HE2 GLN 4 -10.211 10.895 12.662 31 2HE2 GLN 4 2HE2 GLN 4 -8.806 10.557 11.707 32 H ALA 5 H ALA 5 -12.619 9.262 10.259 33 HA ALA 5 HA ALA 5 -13.400 7.555 8.241 34 1HB ALA 5 1HB ALA 5 -12.345 10.202 8.553 35 2HB ALA 5 2HB ALA 5 -11.437 9.396 7.251 36 3HB ALA 5 3HB ALA 5 -13.211 9.513 7.159 37 H GLN 6 H GLN 6 -12.518 5.721 7.437 38 HA GLN 6 HA GLN 6 -9.619 5.492 7.667 39 1HB GLN 6 1HB GLN 6 -11.529 3.894 8.974 40 2HB GLN 6 2HB GLN 6 -11.035 2.916 7.606 41 1HG GLN 6 1HG GLN 6 -9.107 2.392 8.672 42 2HG GLN 6 2HG GLN 6 -8.644 4.082 8.673 43 1HE2 GLN 6 1HE2 GLN 6 -11.120 2.096 10.300 44 2HE2 GLN 6 2HE2 GLN 6 -10.788 2.615 11.919 45 H GLN 7 H GLN 7 -10.965 6.642 5.430 46 HA GLN 7 HA GLN 7 -10.558 4.506 3.486 47 1HB GLN 7 1HB GLN 7 -12.270 5.612 2.047 48 2HB GLN 7 2HB GLN 7 -12.941 5.043 3.563 49 1HG GLN 7 1HG GLN 7 -12.386 7.486 4.428 50 2HG GLN 7 2HG GLN 7 -12.319 7.890 2.724 51 1HE2 GLN 7 1HE2 GLN 7 -14.327 6.149 5.088 52 2HE2 GLN 7 2HE2 GLN 7 -15.870 6.618 4.459 53 H PHE 8 H PHE 8 -8.481 4.953 2.780 54 HA PHE 8 HA PHE 8 -7.712 7.708 2.379 55 1HB PHE 8 1HB PHE 8 -6.321 5.702 3.349 56 2HB PHE 8 2HB PHE 8 -6.253 5.089 1.709 57 HD1 PHE 8 1HD PHE 8 -5.190 6.582 -0.076 58 HD2 PHE 8 2HD PHE 8 -4.779 7.305 4.085 59 HE1 PHE 8 1HE PHE 8 -3.170 8.002 -0.523 60 HE2 PHE 8 2HE PHE 8 -2.758 8.725 3.638 61 HZ PHE 8 HZ PHE 8 -1.977 9.057 1.339 62 H ILE 9 H ILE 9 -7.844 8.780 0.464 63 HA ILE 9 HA ILE 9 -8.724 7.288 -1.847 64 HB ILE 9 HB ILE 9 -8.306 10.238 -1.354 65 1HG1 ILE 9 1HG1 ILE 9 -10.102 9.319 -0.003 66 2HG1 ILE 9 2HG1 ILE 9 -10.753 10.337 -1.272 67 1HG2 ILE 9 1HG2 ILE 9 -8.837 8.720 -3.815 68 2HG2 ILE 9 2HG2 ILE 9 -9.989 10.041 -3.503 69 3HG2 ILE 9 3HG2 ILE 9 -8.244 10.383 -3.587 70 1HD1 ILE 9 1HD1 ILE 9 -11.019 8.159 -2.663 71 2HD1 ILE 9 2HD1 ILE 9 -10.741 7.302 -1.128 72 3HD1 ILE 9 3HD1 ILE 9 -12.134 8.398 -1.296 73 H PHE 10 H PHE 10 -7.238 6.229 -3.046 74 HA PHE 10 HA PHE 10 -5.020 7.717 -4.071 75 1HB PHE 10 1HB PHE 10 -4.136 6.921 -1.875 76 2HB PHE 10 2HB PHE 10 -4.735 5.304 -2.186 77 HD1 PHE 10 1HD PHE 10 -2.862 7.568 -4.472 78 HD2 PHE 10 2HD PHE 10 -2.822 3.979 -2.209 79 HE1 PHE 10 1HE PHE 10 -0.656 6.947 -5.495 80 HE2 PHE 10 2HE PHE 10 -0.616 3.358 -3.232 81 HZ PHE 10 HZ PHE 10 0.441 4.850 -4.863 82 H LYS 11 H LYS 11 -4.067 6.698 -5.929 83 HA LYS 11 HA LYS 11 -5.361 4.191 -6.721 84 1HB LYS 11 1HB LYS 11 -5.004 6.573 -8.561 85 2HB LYS 11 2HB LYS 11 -5.751 5.038 -8.953 86 1HG LYS 11 1HG LYS 11 -6.829 6.627 -6.615 87 2HG LYS 11 2HG LYS 11 -7.239 7.135 -8.241 88 1HD LYS 11 1HD LYS 11 -8.768 5.471 -8.439 89 2HD LYS 11 2HD LYS 11 -7.564 4.257 -8.056 90 1HE LYS 11 1HE LYS 11 -8.230 4.094 -5.864 91 2HE LYS 11 2HE LYS 11 -8.443 5.825 -5.694 92 1HZ LYS 11 1HZ LYS 11 -10.353 3.838 -6.435 93 2HZ LYS 11 2HZ LYS 11 -10.586 5.301 -5.748 94 3HZ LYS 11 3HZ LYS 11 -10.414 5.178 -7.367 95 H VAL 12 H VAL 12 -3.731 2.735 -6.759 96 HA VAL 12 HA VAL 12 -1.174 3.667 -7.871 97 HB VAL 12 HB VAL 12 -1.404 2.918 -5.404 98 1HG1 VAL 12 1HG1 VAL 12 -2.496 0.654 -6.556 99 2HG1 VAL 12 2HG1 VAL 12 -0.829 0.150 -6.187 100 3HG1 VAL 12 3HG1 VAL 12 -1.875 0.784 -4.893 101 1HG2 VAL 12 1HG2 VAL 12 0.691 2.038 -7.382 102 2HG2 VAL 12 2HG2 VAL 12 0.761 3.325 -6.154 103 3HG2 VAL 12 3HG2 VAL 12 0.841 1.617 -5.659 104 H THR 13 H THR 13 -0.086 2.287 -9.376 105 HA THR 13 HA THR 13 -1.825 0.929 -11.128 106 HB THR 13 HB THR 13 0.466 0.274 -12.152 107 HG1 THR 13 1HG THR 13 2.211 0.847 -10.871 108 1HG2 THR 13 1HG2 THR 13 -0.289 2.304 -13.097 109 2HG2 THR 13 2HG2 THR 13 -0.379 3.117 -11.516 110 3HG2 THR 13 3HG2 THR 13 1.202 2.836 -12.284 111 H ASP 14 H ASP 14 -2.163 -1.246 -11.577 112 HA ASP 14 HA ASP 14 -2.420 -2.898 -9.475 113 1HB ASP 14 1HB ASP 14 -2.356 -3.162 -12.416 114 2HB ASP 14 2HB ASP 14 -1.862 -4.639 -11.613 115 H LYS 15 H LYS 15 0.460 -2.112 -11.382 116 HA LYS 15 HA LYS 15 1.985 -4.395 -10.777 117 1HB LYS 15 1HB LYS 15 2.259 -2.354 -12.501 118 2HB LYS 15 2HB LYS 15 3.314 -1.764 -11.233 119 1HG LYS 15 1HG LYS 15 4.284 -4.241 -11.271 120 2HG LYS 15 2HG LYS 15 3.556 -4.304 -12.864 121 1HD LYS 15 1HD LYS 15 4.812 -1.913 -13.103 122 2HD LYS 15 2HD LYS 15 5.855 -2.627 -11.889 123 1HE LYS 15 1HE LYS 15 6.927 -3.504 -13.730 124 2HE LYS 15 2HE LYS 15 5.696 -4.744 -13.592 125 1HZ LYS 15 1HZ LYS 15 6.103 -3.110 -15.719 126 2HZ LYS 15 2HZ LYS 15 4.811 -4.081 -15.484 127 3HZ LYS 15 3HZ LYS 15 4.747 -2.512 -15.033 128 H ALA 16 H ALA 16 1.408 -1.269 -9.112 129 HA ALA 16 HA ALA 16 3.416 -1.650 -7.166 130 1HB ALA 16 1HB ALA 16 2.521 0.552 -7.691 131 2HB ALA 16 2HB ALA 16 0.883 0.038 -7.221 132 3HB ALA 16 3HB ALA 16 2.162 0.172 -5.990 133 H VAL 17 H VAL 17 -0.167 -2.222 -7.207 134 HA VAL 17 HA VAL 17 -0.245 -3.253 -4.595 135 HB VAL 17 HB VAL 17 -2.016 -2.897 -6.888 136 1HG1 VAL 17 1HG1 VAL 17 -2.229 -5.302 -6.844 137 2HG1 VAL 17 2HG1 VAL 17 -2.441 -5.295 -5.076 138 3HG1 VAL 17 3HG1 VAL 17 -3.692 -4.586 -6.126 139 1HG2 VAL 17 1HG2 VAL 17 -3.443 -2.993 -4.447 140 2HG2 VAL 17 2HG2 VAL 17 -1.864 -2.258 -4.081 141 3HG2 VAL 17 3HG2 VAL 17 -2.902 -1.554 -5.344 142 H GLU 18 H GLU 18 -0.223 -4.877 -7.846 143 HA GLU 18 HA GLU 18 -0.246 -7.436 -6.935 144 1HB GLU 18 1HB GLU 18 -0.451 -6.715 -9.322 145 2HB GLU 18 2HB GLU 18 1.264 -6.357 -9.357 146 1HG GLU 18 1HG GLU 18 0.514 -9.098 -8.400 147 2HG GLU 18 2HG GLU 18 0.218 -8.770 -10.096 148 H GLU 19 H GLU 19 2.400 -5.071 -6.961 149 HA GLU 19 HA GLU 19 4.475 -6.914 -6.663 150 1HB GLU 19 1HB GLU 19 5.028 -4.700 -7.382 151 2HB GLU 19 2HB GLU 19 4.182 -3.957 -6.039 152 1HG GLU 19 1HG GLU 19 6.584 -3.861 -5.596 153 2HG GLU 19 2HG GLU 19 5.848 -4.964 -4.450 154 H ILE 20 H ILE 20 2.188 -5.372 -4.405 155 HA ILE 20 HA ILE 20 3.638 -6.041 -2.063 156 HB ILE 20 HB ILE 20 0.678 -5.551 -2.217 157 1HG1 ILE 20 1HG1 ILE 20 1.363 -3.797 -3.570 158 2HG1 ILE 20 2HG1 ILE 20 1.373 -3.076 -1.972 159 1HG2 ILE 20 1HG2 ILE 20 0.840 -4.830 -0.028 160 2HG2 ILE 20 2HG2 ILE 20 2.018 -6.164 -0.070 161 3HG2 ILE 20 3HG2 ILE 20 2.580 -4.478 -0.156 162 1HD1 ILE 20 1HD1 ILE 20 3.913 -3.950 -1.965 163 2HD1 ILE 20 2HD1 ILE 20 3.692 -3.845 -3.728 164 3HD1 ILE 20 3HD1 ILE 20 3.467 -2.398 -2.716 165 H LYS 21 H LYS 21 1.390 -7.723 -4.220 166 HA LYS 21 HA LYS 21 0.819 -9.787 -2.319 167 1HB LYS 21 1HB LYS 21 0.263 -9.483 -5.281 168 2HB LYS 21 2HB LYS 21 -0.235 -10.874 -4.340 169 1HG LYS 21 1HG LYS 21 -1.327 -9.129 -2.714 170 2HG LYS 21 2HG LYS 21 -1.125 -7.984 -4.025 171 1HD LYS 21 1HD LYS 21 -2.595 -10.651 -4.279 172 2HD LYS 21 2HD LYS 21 -3.385 -9.110 -4.011 173 1HE LYS 21 1HE LYS 21 -3.510 -9.108 -6.314 174 2HE LYS 21 2HE LYS 21 -1.903 -8.423 -6.178 175 1HZ LYS 21 1HZ LYS 21 -2.689 -11.038 -7.043 176 2HZ LYS 21 2HZ LYS 21 -1.383 -10.151 -7.460 177 3HZ LYS 21 3HZ LYS 21 -1.374 -11.016 -6.075 178 H LYS 22 H LYS 22 3.160 -9.166 -4.943 179 HA LYS 22 HA LYS 22 4.098 -11.845 -5.030 180 1HB LYS 22 1HB LYS 22 4.532 -10.766 -6.999 181 2HB LYS 22 2HB LYS 22 4.847 -9.224 -6.231 182 1HG LYS 22 1HG LYS 22 7.077 -9.709 -5.834 183 2HG LYS 22 2HG LYS 22 6.773 -11.412 -5.554 184 1HD LYS 22 1HD LYS 22 6.241 -11.541 -8.114 185 2HD LYS 22 2HD LYS 22 7.010 -9.970 -8.221 186 1HE LYS 22 1HE LYS 22 8.744 -11.576 -8.664 187 2HE LYS 22 2HE LYS 22 9.046 -10.988 -7.041 188 1HZ LYS 22 1HZ LYS 22 7.839 -12.931 -6.218 189 2HZ LYS 22 2HZ LYS 22 7.682 -13.493 -7.743 190 3HZ LYS 22 3HZ LYS 22 9.165 -13.346 -7.076 191 H VAL 23 H VAL 23 5.304 -8.775 -3.523 192 HA VAL 23 HA VAL 23 7.579 -9.845 -2.382 193 HB VAL 23 HB VAL 23 5.750 -7.560 -1.703 194 1HG1 VAL 23 1HG1 VAL 23 7.267 -6.797 0.018 195 2HG1 VAL 23 2HG1 VAL 23 6.717 -8.441 0.423 196 3HG1 VAL 23 3HG1 VAL 23 8.344 -8.188 -0.254 197 1HG2 VAL 23 1HG2 VAL 23 7.704 -6.220 -2.414 198 2HG2 VAL 23 2HG2 VAL 23 8.598 -7.723 -2.748 199 3HG2 VAL 23 3HG2 VAL 23 7.141 -7.325 -3.691 200 H ALA 24 H ALA 24 4.156 -9.924 -1.329 201 HA ALA 24 HA ALA 24 4.788 -11.013 1.233 202 1HB ALA 24 1HB ALA 24 2.724 -9.630 0.462 203 2HB ALA 24 2HB ALA 24 2.111 -11.177 -0.170 204 3HB ALA 24 3HB ALA 24 2.456 -11.000 1.567 205 H GLN 25 H GLN 25 3.640 -12.283 -1.951 206 HA GLN 25 HA GLN 25 3.226 -14.867 -1.150 207 1HB GLN 25 1HB GLN 25 3.826 -13.493 -3.743 208 2HB GLN 25 2HB GLN 25 4.039 -15.232 -3.720 209 1HG GLN 25 1HG GLN 25 1.678 -15.349 -2.640 210 2HG GLN 25 2HG GLN 25 1.506 -13.664 -3.087 211 1HE2 GLN 25 1HE2 GLN 25 1.412 -13.051 -5.236 212 2HE2 GLN 25 2HE2 GLN 25 1.088 -14.159 -6.527 213 H GLU 26 H GLU 26 6.238 -13.112 -1.853 214 HA GLU 26 HA GLU 26 7.769 -15.517 -1.955 215 1HB GLU 26 1HB GLU 26 8.140 -12.992 -2.957 216 2HB GLU 26 2HB GLU 26 9.145 -12.905 -1.525 217 1HG GLU 26 1HG GLU 26 9.815 -15.407 -2.558 218 2HG GLU 26 2HG GLU 26 9.542 -14.469 -4.013 219 H ASN 27 H ASN 27 6.234 -13.878 0.518 220 HA ASN 27 HA ASN 27 8.307 -14.700 2.398 221 1HB ASN 27 1HB ASN 27 6.483 -12.272 2.366 222 2HB ASN 27 2HB ASN 27 7.019 -12.906 3.909 223 1HD2 ASN 27 1HD2 ASN 27 7.741 -10.930 1.302 224 2HD2 ASN 27 2HD2 ASN 27 9.417 -10.614 1.606 225 H ASN 28 H ASN 28 5.574 -15.746 1.054 226 HA ASN 28 HA ASN 28 3.860 -16.950 1.614 227 1HB ASN 28 1HB ASN 28 5.909 -17.948 3.123 228 2HB ASN 28 2HB ASN 28 4.825 -17.485 4.419 229 1HD2 ASN 28 1HD2 ASN 28 4.203 -19.449 5.089 230 2HD2 ASN 28 2HD2 ASN 28 3.293 -20.588 4.154 231 H ILE 29 H ILE 29 3.764 -14.078 2.228 232 HA ILE 29 HA ILE 29 2.263 -13.998 4.734 233 HB ILE 29 HB ILE 29 3.527 -11.869 3.016 234 1HG1 ILE 29 1HG1 ILE 29 4.069 -12.865 5.827 235 2HG1 ILE 29 2HG1 ILE 29 5.090 -13.082 4.419 236 1HG2 ILE 29 1HG2 ILE 29 1.527 -10.846 3.715 237 2HG2 ILE 29 2HG2 ILE 29 1.606 -11.592 5.329 238 3HG2 ILE 29 3HG2 ILE 29 2.759 -10.312 4.882 239 1HD1 ILE 29 1HD1 ILE 29 4.538 -10.562 5.992 240 2HD1 ILE 29 2HD1 ILE 29 6.094 -11.228 5.442 241 3HD1 ILE 29 3HD1 ILE 29 5.005 -10.436 4.279 242 H GLU 30 H GLU 30 0.076 -13.932 4.738 243 HA GLU 30 HA GLU 30 -1.165 -13.533 2.137 244 1HB GLU 30 1HB GLU 30 -1.526 -15.506 4.163 245 2HB GLU 30 2HB GLU 30 -2.986 -14.536 4.170 246 1HG GLU 30 1HG GLU 30 -3.374 -14.935 1.807 247 2HG GLU 30 2HG GLU 30 -1.779 -15.627 1.593 248 H ASN 31 H ASN 31 -0.248 -11.629 4.557 249 HA ASN 31 HA ASN 31 -2.558 -9.947 4.231 250 1HB ASN 31 1HB ASN 31 -2.652 -11.401 6.459 251 2HB ASN 31 2HB ASN 31 -1.423 -10.291 7.033 252 1HD2 ASN 31 1HD2 ASN 31 -2.018 -8.441 7.889 253 2HD2 ASN 31 2HD2 ASN 31 -3.585 -7.708 7.796 254 HA PRO 32 HA PRO 32 1.596 -7.964 4.238 255 1HB PRO 32 1HB PRO 32 1.588 -6.987 1.686 256 2HB PRO 32 2HB PRO 32 2.327 -8.514 2.125 257 1HG PRO 32 1HG PRO 32 -0.221 -8.028 0.707 258 2HG PRO 32 2HG PRO 32 0.732 -9.497 0.780 259 1HD PRO 32 1HD PRO 32 -1.687 -8.946 2.220 260 2HD PRO 32 2HD PRO 32 -0.672 -10.366 2.380 261 H ILE 33 H ILE 33 1.551 -6.235 5.519 262 HA ILE 33 HA ILE 33 -0.560 -4.322 4.970 263 HB ILE 33 HB ILE 33 1.233 -4.969 7.254 264 1HG1 ILE 33 1HG1 ILE 33 -1.469 -4.052 7.820 265 2HG1 ILE 33 2HG1 ILE 33 -1.474 -5.329 6.620 266 1HG2 ILE 33 1HG2 ILE 33 0.084 -2.228 6.713 267 2HG2 ILE 33 2HG2 ILE 33 0.486 -2.804 8.349 268 3HG2 ILE 33 3HG2 ILE 33 1.761 -2.672 7.113 269 1HD1 ILE 33 1HD1 ILE 33 -0.008 -5.469 9.296 270 2HD1 ILE 33 2HD1 ILE 33 -1.580 -6.228 8.947 271 3HD1 ILE 33 3HD1 ILE 33 -0.117 -6.776 8.093 272 H LEU 34 H LEU 34 -0.118 -2.969 3.292 273 HA LEU 34 HA LEU 34 2.617 -2.047 2.964 274 1HB LEU 34 1HB LEU 34 1.143 -2.922 1.093 275 2HB LEU 34 2HB LEU 34 0.217 -1.442 1.242 276 HG LEU 34 HG LEU 34 2.430 -0.198 0.858 277 1HD1 LEU 34 1HD1 LEU 34 3.386 -2.914 0.813 278 2HD1 LEU 34 2HD1 LEU 34 3.701 -2.129 -0.753 279 3HD1 LEU 34 3HD1 LEU 34 4.299 -1.387 0.750 280 1HD2 LEU 34 1HD2 LEU 34 1.357 0.157 -1.052 281 2HD2 LEU 34 2HD2 LEU 34 2.183 -1.271 -1.720 282 3HD2 LEU 34 3HD2 LEU 34 0.574 -1.440 -0.978 283 H ARG 35 H ARG 35 3.272 -0.325 4.130 284 HA ARG 35 HA ARG 35 1.224 1.632 4.772 285 1HB ARG 35 1HB ARG 35 2.209 0.875 6.808 286 2HB ARG 35 2HB ARG 35 3.817 0.801 6.116 287 1HG ARG 35 1HG ARG 35 4.216 3.056 6.435 288 2HG ARG 35 2HG ARG 35 2.559 3.511 6.095 289 1HD ARG 35 1HD ARG 35 1.824 2.894 8.317 290 2HD ARG 35 2HD ARG 35 3.317 2.041 8.655 291 HE ARG 35 HE ARG 35 2.895 4.947 8.771 292 1HH1 ARG 35 2HH2 ARG 35 5.275 2.363 8.561 293 2HH1 ARG 35 1HH2 ARG 35 6.569 3.331 9.185 294 1HH2 ARG 35 2HH1 ARG 35 4.601 6.224 9.594 295 2HH2 ARG 35 1HH1 ARG 35 6.183 5.542 9.777 296 H ILE 36 H ILE 36 1.468 3.790 4.092 297 HA ILE 36 HA ILE 36 3.629 4.243 2.209 298 HB ILE 36 HB ILE 36 0.948 5.409 2.745 299 1HG1 ILE 36 1HG1 ILE 36 0.807 5.274 0.282 300 2HG1 ILE 36 2HG1 ILE 36 2.461 4.699 0.214 301 1HG2 ILE 36 1HG2 ILE 36 3.299 6.965 1.696 302 2HG2 ILE 36 2HG2 ILE 36 1.646 7.308 1.132 303 3HG2 ILE 36 3HG2 ILE 36 2.045 7.453 2.861 304 1HD1 ILE 36 1HD1 ILE 36 0.593 3.228 2.052 305 2HD1 ILE 36 2HD1 ILE 36 0.363 3.009 0.300 306 3HD1 ILE 36 3HD1 ILE 36 1.926 2.604 1.050 307 H ARG 37 H ARG 37 5.524 5.002 2.977 308 HA ARG 37 HA ARG 37 5.311 6.988 5.094 309 1HB ARG 37 1HB ARG 37 6.269 4.679 5.779 310 2HB ARG 37 2HB ARG 37 7.647 5.049 4.763 311 1HG ARG 37 1HG ARG 37 6.793 7.112 6.794 312 2HG ARG 37 2HG ARG 37 7.617 5.679 7.376 313 1HD ARG 37 1HD ARG 37 9.132 6.487 5.126 314 2HD ARG 37 2HD ARG 37 8.714 7.989 5.926 315 HE ARG 37 HE ARG 37 9.573 6.101 7.907 316 1HH1 ARG 37 2HH2 ARG 37 10.865 8.044 5.273 317 2HH1 ARG 37 1HH2 ARG 37 12.450 8.158 5.964 318 1HH2 ARG 37 2HH1 ARG 37 11.663 6.251 8.820 319 2HH2 ARG 37 1HH1 ARG 37 12.906 7.131 7.995 320 H VAL 38 H VAL 38 6.325 8.937 4.627 321 HA VAL 38 HA VAL 38 7.404 9.335 2.060 322 HB VAL 38 HB VAL 38 7.776 11.150 4.433 323 1HG1 VAL 38 1HG1 VAL 38 7.361 11.619 1.462 324 2HG1 VAL 38 2HG1 VAL 38 7.404 12.906 2.691 325 3HG1 VAL 38 3HG1 VAL 38 8.845 11.901 2.403 326 1HG2 VAL 38 1HG2 VAL 38 5.271 10.123 3.410 327 2HG2 VAL 38 2HG2 VAL 38 5.573 11.215 4.782 328 3HG2 VAL 38 3HG2 VAL 38 5.381 11.879 3.142 329 H VAL 39 H VAL 39 9.300 8.459 1.395 330 HA VAL 39 HA VAL 39 11.474 8.366 3.362 331 HB VAL 39 HB VAL 39 10.584 6.257 2.269 332 1HG1 VAL 39 1HG1 VAL 39 10.339 7.279 -0.011 333 2HG1 VAL 39 2HG1 VAL 39 12.114 7.277 -0.145 334 3HG1 VAL 39 3HG1 VAL 39 11.232 5.739 0.011 335 1HG2 VAL 39 1HG2 VAL 39 12.948 5.407 1.778 336 2HG2 VAL 39 2HG2 VAL 39 13.497 7.063 2.131 337 3HG2 VAL 39 3HG2 VAL 39 12.662 6.116 3.386 338 HA PRO 40 HA PRO 40 13.098 11.620 0.919 339 1HB PRO 40 1HB PRO 40 15.127 12.317 2.613 340 2HB PRO 40 2HB PRO 40 13.499 12.948 2.757 341 1HG PRO 40 1HG PRO 40 14.847 10.905 4.413 342 2HG PRO 40 2HG PRO 40 13.415 11.844 4.780 343 1HD PRO 40 1HD PRO 40 13.502 9.096 3.965 344 2HD PRO 40 2HD PRO 40 12.067 10.068 4.220 345 H GLY 41 H GLY 41 13.669 10.358 -0.873 346 1HA GLY 41 1HA GLY 41 16.452 9.369 -0.672 347 2HA GLY 41 2HA GLY 41 15.199 8.630 -1.650 348 H GLY 42 H GLY 42 13.973 10.549 -3.070 349 1HA GLY 42 1HA GLY 42 15.914 11.322 -4.986 350 2HA GLY 42 2HA GLY 42 14.213 11.743 -4.965 351 H CYS 43 H CYS 43 16.255 13.575 -5.766 352 HA CYS 43 HA CYS 43 16.856 15.265 -3.545 353 1HB CYS 43 1HB CYS 43 17.540 15.150 -6.417 354 2HB CYS 43 2HB CYS 43 17.387 16.774 -5.776 355 HG CYS 43 HG CYS 43 18.953 16.453 -3.719 356 H SER 44 H SER 44 14.729 15.368 -6.491 357 HA SER 44 HA SER 44 13.226 17.464 -5.129 358 1HB SER 44 1HB SER 44 14.010 17.048 -7.985 359 2HB SER 44 2HB SER 44 12.387 17.656 -7.724 360 HG SER 44 HG SER 44 14.828 18.949 -7.430 361 H GLY 45 H GLY 45 13.031 14.549 -7.270 362 1HA GLY 45 1HA GLY 45 10.168 14.322 -6.892 363 2HA GLY 45 2HA GLY 45 11.216 13.271 -7.822 364 H PHE 46 H PHE 46 10.105 14.105 -4.513 365 HA PHE 46 HA PHE 46 11.450 11.844 -3.365 366 1HB PHE 46 1HB PHE 46 9.189 13.606 -2.260 367 2HB PHE 46 2HB PHE 46 10.368 12.717 -1.315 368 HD1 PHE 46 1HD PHE 46 12.860 13.416 -1.647 369 HD2 PHE 46 2HD PHE 46 9.556 15.851 -2.722 370 HE1 PHE 46 1HE PHE 46 14.332 15.447 -1.571 371 HE2 PHE 46 2HE PHE 46 11.028 17.883 -2.646 372 HZ PHE 46 HZ PHE 46 13.399 17.657 -2.072 373 H GLN 47 H GLN 47 10.706 9.818 -3.834 374 HA GLN 47 HA GLN 47 7.842 9.511 -4.136 375 1HB GLN 47 1HB GLN 47 8.622 7.122 -4.874 376 2HB GLN 47 2HB GLN 47 8.899 8.475 -5.953 377 1HG GLN 47 1HG GLN 47 11.049 7.855 -3.937 378 2HG GLN 47 2HG GLN 47 10.863 6.744 -5.279 379 1HE2 GLN 47 1HE2 GLN 47 13.081 8.450 -4.720 380 2HE2 GLN 47 2HE2 GLN 47 13.287 9.542 -6.048 381 H TYR 48 H TYR 48 7.048 7.194 -3.268 382 HA TYR 48 HA TYR 48 8.063 6.983 -0.513 383 1HB TYR 48 1HB TYR 48 5.313 6.352 -1.751 384 2HB TYR 48 2HB TYR 48 5.677 6.323 -0.038 385 HD1 TYR 48 1HD TYR 48 5.302 8.556 -2.982 386 HD2 TYR 48 2HD TYR 48 5.608 8.316 1.279 387 HE1 TYR 48 1HE TYR 48 4.611 10.995 -2.788 388 HE2 TYR 48 2HE TYR 48 4.916 10.756 1.459 389 HH TYR 48 HH TYR 48 5.178 12.855 -0.570 390 H ALA 49 H ALA 49 9.002 5.078 0.022 391 HA ALA 49 HA ALA 49 8.899 2.920 -1.874 392 1HB ALA 49 1HB ALA 49 10.274 3.283 0.818 393 2HB ALA 49 2HB ALA 49 10.496 1.876 -0.250 394 3HB ALA 49 3HB ALA 49 11.003 3.494 -0.792 395 H MET 50 H MET 50 8.347 0.666 -1.194 396 HA MET 50 HA MET 50 6.172 0.755 0.753 397 1HB MET 50 1HB MET 50 6.482 -0.519 -1.970 398 2HB MET 50 2HB MET 50 5.562 -1.424 -0.784 399 1HG MET 50 1HG MET 50 3.760 -0.110 -1.203 400 2HG MET 50 2HG MET 50 4.641 1.276 -0.592 401 1HE MET 50 1HE MET 50 4.839 -1.081 -3.822 402 2HE MET 50 2HE MET 50 3.170 -0.545 -3.516 403 3HE MET 50 3HE MET 50 4.041 0.036 -4.955 404 H GLY 51 H GLY 51 5.806 -1.239 2.022 405 1HA GLY 51 1HA GLY 51 7.495 -3.469 1.935 406 2HA GLY 51 2HA GLY 51 8.190 -2.315 3.055 407 H PHE 52 H PHE 52 7.521 -4.538 4.306 408 HA PHE 52 HA PHE 52 4.812 -4.118 5.347 409 1HB PHE 52 1HB PHE 52 6.749 -6.509 5.463 410 2HB PHE 52 2HB PHE 52 5.107 -6.530 6.074 411 HD1 PHE 52 1HD PHE 52 4.113 -4.808 3.594 412 HD2 PHE 52 2HD PHE 52 6.287 -8.426 4.029 413 HE1 PHE 52 1HE PHE 52 3.288 -5.574 1.351 414 HE2 PHE 52 2HE PHE 52 5.462 -9.192 1.786 415 HZ PHE 52 HZ PHE 52 3.972 -7.757 0.473 416 H ASP 53 H ASP 53 5.142 -2.594 6.985 417 HA ASP 53 HA ASP 53 6.362 -3.632 9.316 418 1HB ASP 53 1HB ASP 53 7.809 -1.698 7.603 419 2HB ASP 53 2HB ASP 53 7.622 -1.130 9.251 420 H ASP 54 H ASP 54 5.822 -2.205 11.212 421 HA ASP 54 HA ASP 54 4.654 -0.746 12.326 422 1HB ASP 54 1HB ASP 54 5.085 0.635 9.831 423 2HB ASP 54 2HB ASP 54 3.426 0.932 10.312 424 H THR 55 H THR 55 3.048 -2.386 12.828 425 HA THR 55 HA THR 55 1.055 -3.275 11.133 426 HB THR 55 HB THR 55 1.918 -3.911 13.615 427 HG1 THR 55 1HG THR 55 -0.250 -5.058 13.661 428 1HG2 THR 55 1HG2 THR 55 -0.833 -2.842 14.256 429 2HG2 THR 55 2HG2 THR 55 0.515 -3.212 15.358 430 3HG2 THR 55 3HG2 THR 55 0.542 -1.720 14.388 431 H VAL 56 H VAL 56 -1.433 -2.881 12.156 432 HA VAL 56 HA VAL 56 -2.014 -0.293 11.093 433 HB VAL 56 HB VAL 56 -3.374 -2.780 11.669 434 1HG1 VAL 56 1HG1 VAL 56 -4.437 -1.614 13.505 435 2HG1 VAL 56 2HG1 VAL 56 -4.810 -0.223 12.458 436 3HG1 VAL 56 3HG1 VAL 56 -5.605 -1.791 12.173 437 1HG2 VAL 56 1HG2 VAL 56 -4.076 -0.393 9.926 438 2HG2 VAL 56 2HG2 VAL 56 -3.132 -1.820 9.435 439 3HG2 VAL 56 3HG2 VAL 56 -4.853 -1.993 9.857 440 H GLU 57 H GLU 57 -3.210 1.404 12.228 441 HA GLU 57 HA GLU 57 -2.605 1.335 15.082 442 1HB GLU 57 1HB GLU 57 -2.927 3.914 13.535 443 2HB GLU 57 2HB GLU 57 -2.057 3.632 15.029 444 1HG GLU 57 1HG GLU 57 -0.349 2.296 13.806 445 2HG GLU 57 2HG GLU 57 -1.233 2.511 12.308 446 H GLU 58 H GLU 58 -4.090 3.051 16.312 447 HA GLU 58 HA GLU 58 -6.758 2.235 15.678 448 1HB GLU 58 1HB GLU 58 -5.502 2.540 18.039 449 2HB GLU 58 2HB GLU 58 -6.155 4.161 17.909 450 1HG GLU 58 1HG GLU 58 -8.348 3.456 18.136 451 2HG GLU 58 2HG GLU 58 -8.073 1.958 17.268 452 H GLY 59 H GLY 59 -5.166 4.208 13.949 453 1HA GLY 59 1HA GLY 59 -7.323 5.988 13.409 454 2HA GLY 59 2HA GLY 59 -6.014 6.818 14.226 455 H ASP 60 H ASP 60 -5.924 4.069 11.858 456 HA ASP 60 HA ASP 60 -4.289 5.814 10.189 457 1HB ASP 60 1HB ASP 60 -3.867 3.127 11.208 458 2HB ASP 60 2HB ASP 60 -3.949 3.056 9.459 459 H HIS 61 H HIS 61 -5.025 6.096 8.048 460 HA HIS 61 HA HIS 61 -7.606 5.220 7.403 461 1HB HIS 61 1HB HIS 61 -5.407 6.488 5.753 462 2HB HIS 61 2HB HIS 61 -7.012 6.164 5.128 463 HD1 HIS 61 1HD HIS 61 -6.262 7.529 8.613 464 HD2 HIS 61 2HD HIS 61 -7.942 8.761 4.972 465 HE1 HIS 61 1HE HIS 61 -7.277 9.831 9.037 466 H VAL 62 H VAL 62 -7.508 2.891 7.724 467 HA VAL 62 HA VAL 62 -5.741 1.355 6.083 468 HB VAL 62 HB VAL 62 -6.879 0.902 8.428 469 1HG1 VAL 62 1HG1 VAL 62 -9.182 0.960 7.289 470 2HG1 VAL 62 2HG1 VAL 62 -8.762 -0.642 6.637 471 3HG1 VAL 62 3HG1 VAL 62 -8.847 -0.392 8.397 472 1HG2 VAL 62 1HG2 VAL 62 -6.779 -1.680 7.586 473 2HG2 VAL 62 2HG2 VAL 62 -5.875 -0.876 6.280 474 3HG2 VAL 62 3HG2 VAL 62 -5.345 -0.698 7.970 475 H PHE 63 H PHE 63 -6.039 0.794 3.990 476 HA PHE 63 HA PHE 63 -8.783 1.007 2.965 477 1HB PHE 63 1HB PHE 63 -6.396 2.379 2.275 478 2HB PHE 63 2HB PHE 63 -6.492 1.119 1.061 479 HD1 PHE 63 1HD PHE 63 -7.049 2.293 -0.877 480 HD2 PHE 63 2HD PHE 63 -9.296 2.965 2.659 481 HE1 PHE 63 1HE PHE 63 -8.689 3.675 -2.182 482 HE2 PHE 63 2HE PHE 63 -10.936 4.347 1.354 483 HZ PHE 63 HZ PHE 63 -10.613 4.685 -1.050 484 H GLU 64 H GLU 64 -9.596 -0.701 1.749 485 HA GLU 64 HA GLU 64 -8.032 -3.100 1.899 486 1HB GLU 64 1HB GLU 64 -10.880 -2.589 0.932 487 2HB GLU 64 2HB GLU 64 -10.150 -4.177 1.051 488 1HG GLU 64 1HG GLU 64 -9.919 -3.997 3.458 489 2HG GLU 64 2HG GLU 64 -10.296 -2.285 3.436 490 H TYR 65 H TYR 65 -7.430 -4.416 0.075 491 HA TYR 65 HA TYR 65 -7.749 -3.136 -2.540 492 1HB TYR 65 1HB TYR 65 -5.377 -3.389 -0.842 493 2HB TYR 65 2HB TYR 65 -5.155 -4.432 -2.232 494 HD1 TYR 65 1HD TYR 65 -4.143 -1.445 -1.113 495 HD2 TYR 65 2HD TYR 65 -6.285 -3.010 -4.469 496 HE1 TYR 65 1HE TYR 65 -3.433 0.558 -2.509 497 HE2 TYR 65 2HE TYR 65 -5.568 -1.002 -5.854 498 HH TYR 65 HH TYR 65 -4.377 0.798 -5.926 499 H ASP 66 H ASP 66 -5.961 -5.048 -3.835 500 HA ASP 66 HA ASP 66 -7.805 -7.061 -4.280 501 1HB ASP 66 1HB ASP 66 -5.656 -6.148 -5.622 502 2HB ASP 66 2HB ASP 66 -4.870 -7.499 -4.830 503 H GLY 67 H GLY 67 -8.123 -7.712 -1.902 504 1HA GLY 67 1HA GLY 67 -7.849 -9.163 -0.211 505 2HA GLY 67 2HA GLY 67 -6.908 -10.150 -1.312 506 H VAL 68 H VAL 68 -6.275 -6.807 -0.049 507 HA VAL 68 HA VAL 68 -4.130 -7.816 1.600 508 HB VAL 68 HB VAL 68 -3.657 -6.081 -0.827 509 1HG1 VAL 68 1HG1 VAL 68 -1.899 -6.587 1.586 510 2HG1 VAL 68 2HG1 VAL 68 -1.251 -6.060 0.014 511 3HG1 VAL 68 3HG1 VAL 68 -2.406 -5.029 0.891 512 1HG2 VAL 68 1HG2 VAL 68 -1.961 -7.833 -1.356 513 2HG2 VAL 68 2HG2 VAL 68 -2.552 -8.774 0.034 514 3HG2 VAL 68 3HG2 VAL 68 -3.633 -8.443 -1.341 515 H LYS 69 H LYS 69 -3.418 -6.233 3.163 516 HA LYS 69 HA LYS 69 -5.414 -4.129 3.499 517 1HB LYS 69 1HB LYS 69 -4.104 -5.985 5.263 518 2HB LYS 69 2HB LYS 69 -3.719 -4.353 5.770 519 1HG LYS 69 1HG LYS 69 -6.358 -3.988 5.309 520 2HG LYS 69 2HG LYS 69 -6.402 -5.713 5.614 521 1HD LYS 69 1HD LYS 69 -4.873 -5.035 7.719 522 2HD LYS 69 2HD LYS 69 -5.631 -3.472 7.484 523 1HE LYS 69 1HE LYS 69 -7.418 -4.255 8.645 524 2HE LYS 69 2HE LYS 69 -7.775 -5.291 7.278 525 1HZ LYS 69 1HZ LYS 69 -6.508 -5.951 9.775 526 2HZ LYS 69 2HZ LYS 69 -7.483 -6.857 8.829 527 3HZ LYS 69 3HZ LYS 69 -5.901 -6.702 8.458 528 H VAL 70 H VAL 70 -4.876 -1.947 3.632 529 HA VAL 70 HA VAL 70 -2.044 -1.285 3.402 530 HB VAL 70 HB VAL 70 -4.216 -0.660 1.423 531 1HG1 VAL 70 1HG1 VAL 70 -3.563 1.506 1.503 532 2HG1 VAL 70 2HG1 VAL 70 -2.025 1.125 2.315 533 3HG1 VAL 70 3HG1 VAL 70 -2.178 0.916 0.554 534 1HG2 VAL 70 1HG2 VAL 70 -1.654 -2.109 1.454 535 2HG2 VAL 70 2HG2 VAL 70 -3.060 -2.281 0.376 536 3HG2 VAL 70 3HG2 VAL 70 -1.851 -1.012 0.066 537 H VAL 71 H VAL 71 -1.503 0.708 4.352 538 HA VAL 71 HA VAL 71 -3.691 2.355 5.317 539 HB VAL 71 HB VAL 71 -3.293 2.115 7.548 540 1HG1 VAL 71 1HG1 VAL 71 -3.288 -0.208 8.114 541 2HG1 VAL 71 2HG1 VAL 71 -4.070 -0.059 6.521 542 3HG1 VAL 71 3HG1 VAL 71 -2.389 -0.632 6.638 543 1HG2 VAL 71 1HG2 VAL 71 -0.957 2.676 7.602 544 2HG2 VAL 71 2HG2 VAL 71 -1.179 1.163 8.513 545 3HG2 VAL 71 3HG2 VAL 71 -0.509 1.120 6.864 546 H ILE 72 H ILE 72 -2.915 4.498 6.053 547 HA ILE 72 HA ILE 72 -0.162 5.081 5.311 548 HB ILE 72 HB ILE 72 -2.558 6.456 4.089 549 1HG1 ILE 72 1HG1 ILE 72 -0.983 5.642 2.020 550 2HG1 ILE 72 2HG1 ILE 72 -0.712 4.337 3.157 551 1HG2 ILE 72 1HG2 ILE 72 0.383 7.133 4.069 552 2HG2 ILE 72 2HG2 ILE 72 -0.734 7.690 2.800 553 3HG2 ILE 72 3HG2 ILE 72 -1.001 8.168 4.493 554 1HD1 ILE 72 1HD1 ILE 72 -2.647 3.494 2.263 555 2HD1 ILE 72 2HD1 ILE 72 -3.433 4.623 3.393 556 3HD1 ILE 72 3HD1 ILE 72 -3.192 5.090 1.693 557 H ASP 73 H ASP 73 0.750 6.716 6.549 558 HA ASP 73 HA ASP 73 -0.437 7.233 8.969 559 1HB ASP 73 1HB ASP 73 1.813 8.556 7.416 560 2HB ASP 73 2HB ASP 73 1.330 9.192 8.976 561 HA PRO 74 HA PRO 74 -2.849 10.800 8.136 562 1HB PRO 74 1HB PRO 74 -2.662 12.255 10.442 563 2HB PRO 74 2HB PRO 74 -3.708 10.860 10.272 564 1HG PRO 74 1HG PRO 74 -1.134 11.083 11.707 565 2HG PRO 74 2HG PRO 74 -2.380 9.862 11.872 566 1HD PRO 74 1HD PRO 74 0.118 9.588 10.490 567 2HD PRO 74 2HD PRO 74 -1.177 8.410 10.557 568 H PHE 75 H PHE 75 0.452 11.253 8.918 569 HA PHE 75 HA PHE 75 0.398 14.023 8.141 570 1HB PHE 75 1HB PHE 75 2.160 12.016 9.402 571 2HB PHE 75 2HB PHE 75 3.046 12.900 8.175 572 HD1 PHE 75 1HD PHE 75 2.702 12.817 11.489 573 HD2 PHE 75 2HD PHE 75 2.129 15.601 8.338 574 HE1 PHE 75 1HE PHE 75 3.045 14.712 13.100 575 HE2 PHE 75 2HE PHE 75 2.472 17.495 9.949 576 HZ PHE 75 HZ PHE 75 2.926 17.028 12.311 577 H SER 76 H SER 76 0.796 10.884 6.623 578 HA SER 76 HA SER 76 2.202 12.024 4.391 579 1HB SER 76 1HB SER 76 1.961 9.621 3.496 580 2HB SER 76 2HB SER 76 2.941 9.833 4.934 581 HG SER 76 HG SER 76 1.579 8.100 5.368 582 H MET 77 H MET 77 -1.047 11.496 5.481 583 HA MET 77 HA MET 77 -2.353 10.903 3.150 584 1HB MET 77 1HB MET 77 -3.010 11.552 5.796 585 2HB MET 77 2HB MET 77 -3.699 12.900 4.914 586 1HG MET 77 1HG MET 77 -4.199 10.013 4.071 587 2HG MET 77 2HG MET 77 -5.210 10.815 5.257 588 1HE MET 77 1HE MET 77 -4.102 10.410 1.700 589 2HE MET 77 2HE MET 77 -5.713 9.698 1.955 590 3HE MET 77 3HE MET 77 -5.509 11.054 0.820 591 HA PRO 78 HA PRO 78 -2.505 15.582 2.344 592 1HB PRO 78 1HB PRO 78 -0.886 17.256 3.774 593 2HB PRO 78 2HB PRO 78 -2.564 16.962 4.186 594 1HG PRO 78 1HG PRO 78 -0.125 15.936 5.504 595 2HG PRO 78 2HG PRO 78 -1.760 16.011 6.128 596 1HD PRO 78 1HD PRO 78 -0.407 13.684 5.138 597 2HD PRO 78 2HD PRO 78 -2.079 13.784 5.654 598 H TYR 79 H TYR 79 -0.032 13.525 2.386 599 HA TYR 79 HA TYR 79 1.684 15.259 0.768 600 1HB TYR 79 1HB TYR 79 1.985 13.203 2.770 601 2HB TYR 79 2HB TYR 79 2.521 12.470 1.271 602 HD1 TYR 79 1HD TYR 79 3.807 13.835 4.054 603 HD2 TYR 79 2HD TYR 79 3.931 14.517 -0.167 604 HE1 TYR 79 1HE TYR 79 6.066 14.976 4.297 605 HE2 TYR 79 2HE TYR 79 6.189 15.655 0.090 606 HH TYR 79 HH TYR 79 7.870 15.648 3.169 607 H VAL 80 H VAL 80 -0.137 12.144 0.736 608 HA VAL 80 HA VAL 80 0.155 12.182 -2.187 609 HB VAL 80 HB VAL 80 0.256 9.791 -2.189 610 1HG1 VAL 80 1HG1 VAL 80 2.218 10.484 -0.019 611 2HG1 VAL 80 2HG1 VAL 80 2.451 9.528 -1.503 612 3HG1 VAL 80 3HG1 VAL 80 2.323 11.300 -1.597 613 1HG2 VAL 80 1HG2 VAL 80 -1.066 8.966 -0.484 614 2HG2 VAL 80 2HG2 VAL 80 0.561 8.670 0.174 615 3HG2 VAL 80 3HG2 VAL 80 -0.384 10.072 0.732 616 H ASN 81 H ASN 81 -1.865 13.654 -1.146 617 HA ASN 81 HA ASN 81 -4.146 11.926 -0.856 618 1HB ASN 81 1HB ASN 81 -5.324 14.269 -0.675 619 2HB ASN 81 2HB ASN 81 -4.263 13.779 0.631 620 1HD2 ASN 81 1HD2 ASN 81 -4.815 15.950 -1.975 621 2HD2 ASN 81 2HD2 ASN 81 -3.449 16.992 -1.757 622 H GLY 82 H GLY 82 -5.667 11.603 -2.529 623 1HA GLY 82 1HA GLY 82 -6.465 11.568 -4.634 624 2HA GLY 82 2HA GLY 82 -6.368 13.316 -4.545 625 H ALA 83 H ALA 83 -4.085 10.502 -4.923 626 HA ALA 83 HA ALA 83 -3.125 11.645 -7.390 627 1HB ALA 83 1HB ALA 83 -0.734 11.143 -6.017 628 2HB ALA 83 2HB ALA 83 -1.399 12.739 -6.443 629 3HB ALA 83 3HB ALA 83 -1.739 12.031 -4.846 630 H GLU 84 H GLU 84 -1.054 10.086 -8.021 631 HA GLU 84 HA GLU 84 -1.782 7.396 -7.210 632 1HB GLU 84 1HB GLU 84 -1.713 6.618 -9.558 633 2HB GLU 84 2HB GLU 84 -2.974 7.812 -9.325 634 1HG GLU 84 1HG GLU 84 -0.838 9.434 -9.993 635 2HG GLU 84 2HG GLU 84 -0.464 7.995 -10.921 636 H LEU 85 H LEU 85 -0.038 5.798 -7.563 637 HA LEU 85 HA LEU 85 2.553 7.007 -8.167 638 1HB LEU 85 1HB LEU 85 3.153 7.009 -6.050 639 2HB LEU 85 2HB LEU 85 1.632 6.290 -5.561 640 HG LEU 85 HG LEU 85 2.639 4.028 -6.131 641 1HD1 LEU 85 1HD1 LEU 85 5.104 5.746 -6.420 642 2HD1 LEU 85 2HD1 LEU 85 5.188 4.015 -6.013 643 3HD1 LEU 85 3HD1 LEU 85 4.446 4.534 -7.546 644 1HD2 LEU 85 1HD2 LEU 85 3.051 3.799 -3.952 645 2HD2 LEU 85 2HD2 LEU 85 4.384 4.977 -3.988 646 3HD2 LEU 85 3HD2 LEU 85 2.704 5.539 -3.819 647 H ASP 86 H ASP 86 3.485 5.856 -9.762 648 HA ASP 86 HA ASP 86 2.493 3.178 -10.180 649 1HB ASP 86 1HB ASP 86 4.571 4.416 -11.967 650 2HB ASP 86 2HB ASP 86 3.202 3.410 -12.396 651 H TYR 87 H TYR 87 3.668 1.543 -9.166 652 HA TYR 87 HA TYR 87 6.405 2.044 -8.388 653 1HB TYR 87 1HB TYR 87 4.495 0.858 -7.065 654 2HB TYR 87 2HB TYR 87 4.604 -0.450 -8.227 655 HD1 TYR 87 1HD TYR 87 6.018 1.018 -5.238 656 HD2 TYR 87 2HD TYR 87 6.746 -1.792 -8.381 657 HE1 TYR 87 1HE TYR 87 7.844 -0.075 -3.847 658 HE2 TYR 87 2HE TYR 87 8.569 -2.876 -6.980 659 HH TYR 87 HH TYR 87 9.789 -1.395 -4.152 660 H VAL 88 H VAL 88 8.177 1.456 -9.538 661 HA VAL 88 HA VAL 88 7.733 -0.260 -11.855 662 HB VAL 88 HB VAL 88 9.938 1.629 -11.032 663 1HG1 VAL 88 1HG1 VAL 88 11.171 -0.025 -12.116 664 2HG1 VAL 88 2HG1 VAL 88 9.851 -0.416 -13.244 665 3HG1 VAL 88 3HG1 VAL 88 10.770 1.096 -13.440 666 1HG2 VAL 88 1HG2 VAL 88 8.927 3.157 -12.318 667 2HG2 VAL 88 2HG2 VAL 88 8.704 1.999 -13.651 668 3HG2 VAL 88 3HG2 VAL 88 7.514 2.074 -12.330 669 H VAL 89 H VAL 89 8.984 -2.157 -12.229 670 HA VAL 89 HA VAL 89 10.489 -3.078 -9.883 671 HB VAL 89 HB VAL 89 8.642 -4.781 -11.561 672 1HG1 VAL 89 1HG1 VAL 89 10.542 -5.281 -9.345 673 2HG1 VAL 89 2HG1 VAL 89 8.952 -6.065 -9.181 674 3HG1 VAL 89 3HG1 VAL 89 9.951 -6.369 -10.623 675 1HG2 VAL 89 1HG2 VAL 89 8.142 -3.351 -8.940 676 2HG2 VAL 89 2HG2 VAL 89 7.183 -3.291 -10.438 677 3HG2 VAL 89 3HG2 VAL 89 7.202 -4.773 -9.453 678 H ASP 90 H ASP 90 12.580 -3.214 -10.507 679 HA ASP 90 HA ASP 90 13.213 -4.821 -12.738 680 1HB ASP 90 1HB ASP 90 12.735 -2.263 -13.493 681 2HB ASP 90 2HB ASP 90 14.391 -2.058 -12.958 682 H PHE 91 H PHE 91 15.888 -3.303 -13.007 683 HA PHE 91 HA PHE 91 17.326 -4.663 -11.084 684 1HB PHE 91 1HB PHE 91 17.836 -3.259 -13.366 685 2HB PHE 91 2HB PHE 91 18.232 -1.992 -12.222 686 HD1 PHE 91 1HD PHE 91 20.511 -1.765 -12.029 687 HD2 PHE 91 2HD PHE 91 18.881 -5.675 -12.284 688 HE1 PHE 91 1HE PHE 91 22.806 -2.741 -11.743 689 HE2 PHE 91 2HE PHE 91 21.176 -6.650 -11.997 690 HZ PHE 91 HZ PHE 91 23.111 -5.172 -11.730 691 H MET 92 H MET 92 15.374 -1.835 -10.741 692 HA MET 92 HA MET 92 16.943 -0.686 -8.659 693 1HB MET 92 1HB MET 92 14.895 0.165 -10.384 694 2HB MET 92 2HB MET 92 14.060 0.049 -8.848 695 1HG MET 92 1HG MET 92 15.673 1.556 -7.778 696 2HG MET 92 2HG MET 92 16.702 1.543 -9.197 697 1HE MET 92 1HE MET 92 14.296 4.892 -8.400 698 2HE MET 92 2HE MET 92 14.912 3.630 -7.306 699 3HE MET 92 3HE MET 92 16.029 4.487 -8.395 700 H GLY 93 H GLY 93 15.305 -3.525 -8.751 701 1HA GLY 93 1HA GLY 93 14.395 -4.882 -7.209 702 2HA GLY 93 2HA GLY 93 15.183 -3.892 -5.997 703 H GLY 94 H GLY 94 13.036 -2.136 -8.110 704 1HA GLY 94 1HA GLY 94 10.599 -2.122 -7.733 705 2HA GLY 94 2HA GLY 94 10.943 -2.194 -6.017 706 H GLY 95 H GLY 95 11.183 -0.182 -8.970 707 1HA GLY 95 1HA GLY 95 12.186 2.122 -7.553 708 2HA GLY 95 2HA GLY 95 11.693 2.022 -9.231 709 H PHE 96 H PHE 96 10.961 3.533 -6.392 710 HA PHE 96 HA PHE 96 8.076 3.355 -6.672 711 1HB PHE 96 1HB PHE 96 9.442 5.281 -4.801 712 2HB PHE 96 2HB PHE 96 8.120 4.182 -4.461 713 HD1 PHE 96 1HD PHE 96 8.648 1.725 -4.128 714 HD2 PHE 96 2HD PHE 96 11.658 4.714 -4.238 715 HE1 PHE 96 1HE PHE 96 10.243 0.161 -2.984 716 HE2 PHE 96 2HE PHE 96 13.253 3.150 -3.094 717 HZ PHE 96 HZ PHE 96 12.527 0.892 -2.481 718 H THR 97 H THR 97 7.071 4.671 -8.113 719 HA THR 97 HA THR 97 8.174 7.386 -8.422 720 HB THR 97 HB THR 97 7.160 5.375 -10.484 721 HG1 THR 97 1HG THR 97 9.357 5.385 -10.730 722 1HG2 THR 97 1HG2 THR 97 6.635 7.046 -11.960 723 2HG2 THR 97 2HG2 THR 97 6.574 8.137 -10.555 724 3HG2 THR 97 3HG2 THR 97 8.075 7.985 -11.499 725 H ILE 98 H ILE 98 6.832 9.006 -7.933 726 HA ILE 98 HA ILE 98 3.996 8.290 -7.678 727 HB ILE 98 HB ILE 98 4.962 8.806 -5.558 728 1HG1 ILE 98 1HG1 ILE 98 3.714 11.255 -5.366 729 2HG1 ILE 98 2HG1 ILE 98 2.959 10.573 -6.793 730 1HG2 ILE 98 1HG2 ILE 98 6.942 9.982 -6.079 731 2HG2 ILE 98 2HG2 ILE 98 6.052 11.274 -6.919 732 3HG2 ILE 98 3HG2 ILE 98 5.932 11.114 -5.150 733 1HD1 ILE 98 1HD1 ILE 98 3.292 8.755 -4.421 734 2HD1 ILE 98 2HD1 ILE 98 2.055 10.031 -4.321 735 3HD1 ILE 98 3HD1 ILE 98 1.982 8.820 -5.624 736 H ARG 99 H ARG 99 2.528 9.316 -8.954 737 HA ARG 99 HA ARG 99 3.631 11.412 -10.631 738 1HB ARG 99 1HB ARG 99 1.578 9.262 -11.009 739 2HB ARG 99 2HB ARG 99 1.210 10.789 -11.786 740 1HG ARG 99 1HG ARG 99 3.190 10.732 -13.123 741 2HG ARG 99 2HG ARG 99 3.961 9.539 -12.097 742 1HD ARG 99 1HD ARG 99 3.022 7.808 -13.246 743 2HD ARG 99 2HD ARG 99 1.420 8.511 -13.141 744 HE ARG 99 HE ARG 99 1.688 9.148 -15.361 745 1HH1 ARG 99 2HH2 ARG 99 4.852 9.168 -13.822 746 2HH1 ARG 99 1HH2 ARG 99 5.687 9.673 -15.253 747 1HH2 ARG 99 2HH1 ARG 99 2.789 9.813 -17.250 748 2HH2 ARG 99 1HH1 ARG 99 4.505 10.042 -17.216 749 H ASN 100 H ASN 100 2.666 13.481 -10.688 750 HA ASN 100 HA ASN 100 0.312 13.780 -8.997 751 1HB ASN 100 1HB ASN 100 2.437 14.639 -7.891 752 2HB ASN 100 2HB ASN 100 2.646 15.754 -9.227 753 1HD2 ASN 100 1HD2 ASN 100 1.354 15.292 -6.193 754 2HD2 ASN 100 2HD2 ASN 100 0.268 16.639 -6.100 755 HA PRO 101 HA PRO 101 -1.002 15.786 -12.701 756 1HB PRO 101 1HB PRO 101 -3.510 16.515 -11.896 757 2HB PRO 101 2HB PRO 101 -3.128 14.920 -12.515 758 1HG PRO 101 1HG PRO 101 -3.632 15.753 -9.724 759 2HG PRO 101 2HG PRO 101 -3.671 14.142 -10.413 760 1HD PRO 101 1HD PRO 101 -1.583 15.268 -8.801 761 2HD PRO 101 2HD PRO 101 -1.572 13.702 -9.587 Start of MODEL 14 1 H MET 1 H MET 1 -16.444 2.390 21.423 2 HA MET 1 HA MET 1 -18.066 1.874 19.574 3 1HB MET 1 1HB MET 1 -19.656 3.521 21.573 4 2HB MET 1 2HB MET 1 -20.020 3.704 19.869 5 1HG MET 1 1HG MET 1 -20.375 1.223 19.688 6 2HG MET 1 2HG MET 1 -20.036 1.056 21.399 7 1HE MET 1 1HE MET 1 -23.393 0.314 21.928 8 2HE MET 1 2HE MET 1 -21.653 0.153 22.267 9 3HE MET 1 3HE MET 1 -22.639 1.304 23.201 10 H GLN 2 H GLN 2 -16.275 2.788 18.471 11 HA GLN 2 HA GLN 2 -16.469 5.676 18.240 12 1HB GLN 2 1HB GLN 2 -14.090 4.073 19.090 13 2HB GLN 2 2HB GLN 2 -13.778 5.353 17.935 14 1HG GLN 2 1HG GLN 2 -14.939 6.988 19.439 15 2HG GLN 2 2HG GLN 2 -15.235 5.707 20.598 16 1HE2 GLN 2 1HE2 GLN 2 -13.123 8.097 19.539 17 2HE2 GLN 2 2HE2 GLN 2 -11.722 7.707 20.481 18 H GLU 3 H GLU 3 -15.799 6.516 16.146 19 HA GLU 3 HA GLU 3 -15.481 4.394 14.168 20 1HB GLU 3 1HB GLU 3 -17.617 6.294 14.424 21 2HB GLU 3 2HB GLU 3 -16.705 6.736 12.995 22 1HG GLU 3 1HG GLU 3 -16.802 4.187 12.389 23 2HG GLU 3 2HG GLU 3 -18.062 4.084 13.603 24 H GLN 4 H GLN 4 -13.245 4.567 13.876 25 HA GLN 4 HA GLN 4 -12.121 7.188 13.588 26 1HB GLN 4 1HB GLN 4 -11.082 4.395 13.889 27 2HB GLN 4 2HB GLN 4 -10.048 5.519 13.029 28 1HG GLN 4 1HG GLN 4 -9.455 5.652 15.374 29 2HG GLN 4 2HG GLN 4 -10.285 7.140 14.965 30 1HE2 GLN 4 1HE2 GLN 4 -11.060 3.815 15.990 31 2HE2 GLN 4 2HE2 GLN 4 -12.251 4.224 17.179 32 H ALA 5 H ALA 5 -12.187 8.249 11.659 33 HA ALA 5 HA ALA 5 -12.981 7.026 9.283 34 1HB ALA 5 1HB ALA 5 -11.574 9.644 9.919 35 2HB ALA 5 2HB ALA 5 -12.134 9.211 8.286 36 3HB ALA 5 3HB ALA 5 -13.308 9.379 9.613 37 H GLN 6 H GLN 6 -11.665 5.105 9.062 38 HA GLN 6 HA GLN 6 -8.882 5.688 8.453 39 1HB GLN 6 1HB GLN 6 -8.402 3.382 8.913 40 2HB GLN 6 2HB GLN 6 -9.464 3.927 10.196 41 1HG GLN 6 1HG GLN 6 -11.251 3.033 8.222 42 2HG GLN 6 2HG GLN 6 -9.933 1.883 8.118 43 1HE2 GLN 6 1HE2 GLN 6 -9.041 1.245 10.372 44 2HE2 GLN 6 2HE2 GLN 6 -10.219 0.760 11.545 45 H GLN 7 H GLN 7 -10.498 6.629 6.486 46 HA GLN 7 HA GLN 7 -10.310 4.535 4.462 47 1HB GLN 7 1HB GLN 7 -12.623 5.936 5.294 48 2HB GLN 7 2HB GLN 7 -12.182 6.672 3.767 49 1HG GLN 7 1HG GLN 7 -13.116 4.901 2.704 50 2HG GLN 7 2HG GLN 7 -11.831 3.894 3.341 51 1HE2 GLN 7 1HE2 GLN 7 -14.006 2.585 2.927 52 2HE2 GLN 7 2HE2 GLN 7 -14.924 2.249 4.357 53 H PHE 8 H PHE 8 -8.350 5.035 3.495 54 HA PHE 8 HA PHE 8 -7.800 7.833 2.928 55 1HB PHE 8 1HB PHE 8 -6.158 6.088 3.950 56 2HB PHE 8 2HB PHE 8 -6.185 5.268 2.402 57 HD1 PHE 8 1HD PHE 8 -4.336 7.433 4.325 58 HD2 PHE 8 2HD PHE 8 -5.758 7.020 0.348 59 HE1 PHE 8 1HE PHE 8 -2.481 8.914 3.508 60 HE2 PHE 8 2HE PHE 8 -3.903 8.501 -0.469 61 HZ PHE 8 HZ PHE 8 -2.287 9.430 1.120 62 H ILE 9 H ILE 9 -8.119 8.734 0.945 63 HA ILE 9 HA ILE 9 -9.023 6.990 -1.176 64 HB ILE 9 HB ILE 9 -8.860 9.991 -0.898 65 1HG1 ILE 9 1HG1 ILE 9 -10.539 8.514 0.460 66 2HG1 ILE 9 2HG1 ILE 9 -11.082 9.987 -0.320 67 1HG2 ILE 9 1HG2 ILE 9 -10.344 9.957 -2.956 68 2HG2 ILE 9 2HG2 ILE 9 -8.622 9.589 -3.212 69 3HG2 ILE 9 3HG2 ILE 9 -9.819 8.272 -3.191 70 1HD1 ILE 9 1HD1 ILE 9 -11.252 7.253 -1.659 71 2HD1 ILE 9 2HD1 ILE 9 -12.574 7.955 -0.696 72 3HD1 ILE 9 3HD1 ILE 9 -12.030 8.766 -2.184 73 H PHE 10 H PHE 10 -7.532 5.971 -2.402 74 HA PHE 10 HA PHE 10 -5.486 7.572 -3.631 75 1HB PHE 10 1HB PHE 10 -4.446 6.861 -1.468 76 2HB PHE 10 2HB PHE 10 -4.959 5.207 -1.736 77 HD1 PHE 10 1HD PHE 10 -3.116 3.871 -2.072 78 HD2 PHE 10 2HD PHE 10 -3.212 7.692 -3.915 79 HE1 PHE 10 1HE PHE 10 -0.933 3.377 -3.208 80 HE2 PHE 10 2HE PHE 10 -1.029 7.198 -5.052 81 HZ PHE 10 HZ PHE 10 0.085 5.047 -4.685 82 H LYS 11 H LYS 11 -4.526 6.514 -5.490 83 HA LYS 11 HA LYS 11 -5.777 3.957 -6.175 84 1HB LYS 11 1HB LYS 11 -5.628 6.373 -8.004 85 2HB LYS 11 2HB LYS 11 -6.188 4.777 -8.460 86 1HG LYS 11 1HG LYS 11 -7.467 6.073 -6.057 87 2HG LYS 11 2HG LYS 11 -7.888 6.699 -7.638 88 1HD LYS 11 1HD LYS 11 -9.061 4.809 -8.230 89 2HD LYS 11 2HD LYS 11 -7.912 3.728 -7.467 90 1HE LYS 11 1HE LYS 11 -8.881 4.044 -5.290 91 2HE LYS 11 2HE LYS 11 -9.759 5.474 -5.795 92 1HZ LYS 11 1HZ LYS 11 -11.415 4.201 -6.446 93 2HZ LYS 11 2HZ LYS 11 -10.460 3.295 -7.412 94 3HZ LYS 11 3HZ LYS 11 -10.652 2.890 -5.842 95 H VAL 12 H VAL 12 -4.110 2.549 -6.265 96 HA VAL 12 HA VAL 12 -1.613 3.547 -7.448 97 HB VAL 12 HB VAL 12 -1.844 2.680 -4.980 98 1HG1 VAL 12 1HG1 VAL 12 -1.300 0.263 -4.800 99 2HG1 VAL 12 2HG1 VAL 12 -2.919 0.561 -5.477 100 3HG1 VAL 12 3HG1 VAL 12 -1.578 0.094 -6.550 101 1HG2 VAL 12 1HG2 VAL 12 0.358 2.042 -6.952 102 2HG2 VAL 12 2HG2 VAL 12 0.268 3.368 -5.767 103 3HG2 VAL 12 3HG2 VAL 12 0.516 1.694 -5.213 104 H THR 13 H THR 13 -0.534 2.224 -9.009 105 HA THR 13 HA THR 13 -2.288 0.865 -10.747 106 HB THR 13 HB THR 13 -0.012 0.286 -11.845 107 HG1 THR 13 1HG THR 13 0.925 0.490 -9.528 108 1HG2 THR 13 1HG2 THR 13 -1.376 2.689 -11.847 109 2HG2 THR 13 2HG2 THR 13 0.190 3.189 -11.164 110 3HG2 THR 13 3HG2 THR 13 0.125 2.406 -12.761 111 H ASP 14 H ASP 14 -1.441 -1.433 -11.630 112 HA ASP 14 HA ASP 14 -2.081 -3.162 -9.489 113 1HB ASP 14 1HB ASP 14 -1.728 -3.316 -12.430 114 2HB ASP 14 2HB ASP 14 -1.217 -4.773 -11.603 115 H LYS 15 H LYS 15 0.821 -1.892 -11.000 116 HA LYS 15 HA LYS 15 2.566 -4.036 -10.482 117 1HB LYS 15 1HB LYS 15 2.685 -1.622 -11.825 118 2HB LYS 15 2HB LYS 15 3.749 -1.348 -10.461 119 1HG LYS 15 1HG LYS 15 3.929 -3.860 -12.179 120 2HG LYS 15 2HG LYS 15 4.811 -2.398 -12.571 121 1HD LYS 15 1HD LYS 15 6.384 -2.816 -10.984 122 2HD LYS 15 2HD LYS 15 5.168 -3.062 -9.746 123 1HE LYS 15 1HE LYS 15 5.366 -5.276 -11.734 124 2HE LYS 15 2HE LYS 15 6.801 -5.052 -10.753 125 1HZ LYS 15 1HZ LYS 15 4.267 -4.996 -9.371 126 2HZ LYS 15 2HZ LYS 15 4.755 -6.446 -9.942 127 3HZ LYS 15 3HZ LYS 15 5.699 -5.621 -8.895 128 H ALA 16 H ALA 16 1.678 -1.056 -8.633 129 HA ALA 16 HA ALA 16 3.449 -1.470 -6.528 130 1HB ALA 16 1HB ALA 16 0.919 -0.262 -5.720 131 2HB ALA 16 2HB ALA 16 2.533 0.475 -5.862 132 3HB ALA 16 3HB ALA 16 1.471 0.377 -7.287 133 H VAL 17 H VAL 17 -0.077 -2.323 -6.805 134 HA VAL 17 HA VAL 17 -0.259 -3.638 -4.385 135 HB VAL 17 HB VAL 17 -1.735 -3.609 -6.962 136 1HG1 VAL 17 1HG1 VAL 17 -3.362 -5.315 -5.974 137 2HG1 VAL 17 2HG1 VAL 17 -1.841 -5.952 -6.645 138 3HG1 VAL 17 3HG1 VAL 17 -2.038 -5.787 -4.883 139 1HG2 VAL 17 1HG2 VAL 17 -3.167 -2.339 -5.798 140 2HG2 VAL 17 2HG2 VAL 17 -3.250 -3.516 -4.465 141 3HG2 VAL 17 3HG2 VAL 17 -1.938 -2.313 -4.510 142 H GLU 18 H GLU 18 0.718 -4.851 -7.643 143 HA GLU 18 HA GLU 18 0.881 -7.506 -6.934 144 1HB GLU 18 1HB GLU 18 2.014 -5.773 -9.096 145 2HB GLU 18 2HB GLU 18 2.800 -7.321 -8.858 146 1HG GLU 18 1HG GLU 18 0.172 -8.107 -8.769 147 2HG GLU 18 2HG GLU 18 0.036 -6.723 -9.835 148 H GLU 19 H GLU 19 3.233 -4.807 -6.610 149 HA GLU 19 HA GLU 19 5.448 -6.297 -5.999 150 1HB GLU 19 1HB GLU 19 5.583 -3.907 -6.443 151 2HB GLU 19 2HB GLU 19 4.585 -3.534 -5.051 152 1HG GLU 19 1HG GLU 19 6.559 -3.265 -3.937 153 2HG GLU 19 2HG GLU 19 6.598 -5.015 -3.869 154 H ILE 20 H ILE 20 2.836 -5.025 -3.841 155 HA ILE 20 HA ILE 20 3.939 -5.803 -1.431 156 HB ILE 20 HB ILE 20 0.994 -5.884 -2.026 157 1HG1 ILE 20 1HG1 ILE 20 1.424 -3.902 -3.107 158 2HG1 ILE 20 2HG1 ILE 20 1.182 -3.340 -1.466 159 1HG2 ILE 20 1HG2 ILE 20 0.894 -6.112 0.180 160 2HG2 ILE 20 2HG2 ILE 20 2.651 -5.875 0.343 161 3HG2 ILE 20 3HG2 ILE 20 1.561 -4.468 0.327 162 1HD1 ILE 20 1HD1 ILE 20 3.183 -2.271 -1.856 163 2HD1 ILE 20 2HD1 ILE 20 3.858 -3.840 -1.356 164 3HD1 ILE 20 3HD1 ILE 20 3.692 -3.453 -3.086 165 H LYS 21 H LYS 21 2.110 -7.664 -3.893 166 HA LYS 21 HA LYS 21 1.756 -9.950 -2.296 167 1HB LYS 21 1HB LYS 21 1.760 -9.518 -5.294 168 2HB LYS 21 2HB LYS 21 1.378 -11.054 -4.544 169 1HG LYS 21 1HG LYS 21 -0.609 -10.253 -3.572 170 2HG LYS 21 2HG LYS 21 -0.055 -8.590 -3.548 171 1HD LYS 21 1HD LYS 21 -0.726 -8.183 -5.719 172 2HD LYS 21 2HD LYS 21 -0.288 -9.788 -6.272 173 1HE LYS 21 1HE LYS 21 -2.329 -10.634 -4.884 174 2HE LYS 21 2HE LYS 21 -2.815 -8.953 -4.792 175 1HZ LYS 21 1HZ LYS 21 -3.404 -10.591 -6.805 176 2HZ LYS 21 2HZ LYS 21 -3.407 -8.962 -6.919 177 3HZ LYS 21 3HZ LYS 21 -2.108 -9.814 -7.422 178 H LYS 22 H LYS 22 4.366 -8.833 -4.504 179 HA LYS 22 HA LYS 22 5.814 -11.170 -4.635 180 1HB LYS 22 1HB LYS 22 6.688 -8.271 -4.667 181 2HB LYS 22 2HB LYS 22 7.776 -9.604 -4.997 182 1HG LYS 22 1HG LYS 22 5.846 -10.339 -6.704 183 2HG LYS 22 2HG LYS 22 5.407 -8.645 -6.610 184 1HD LYS 22 1HD LYS 22 8.242 -8.683 -6.908 185 2HD LYS 22 2HD LYS 22 7.636 -9.886 -8.029 186 1HE LYS 22 1HE LYS 22 5.903 -7.584 -8.199 187 2HE LYS 22 2HE LYS 22 7.557 -7.009 -8.276 188 1HZ LYS 22 1HZ LYS 22 6.214 -8.892 -10.050 189 2HZ LYS 22 2HZ LYS 22 7.071 -7.555 -10.432 190 3HZ LYS 22 3HZ LYS 22 7.843 -8.906 -9.936 191 H VAL 23 H VAL 23 5.985 -8.509 -2.178 192 HA VAL 23 HA VAL 23 7.945 -9.857 -0.640 193 HB VAL 23 HB VAL 23 6.282 -7.417 -0.472 194 1HG1 VAL 23 1HG1 VAL 23 5.680 -8.220 1.673 195 2HG1 VAL 23 2HG1 VAL 23 7.316 -8.847 1.987 196 3HG1 VAL 23 3HG1 VAL 23 7.029 -7.091 1.946 197 1HG2 VAL 23 1HG2 VAL 23 8.335 -6.761 -1.143 198 2HG2 VAL 23 2HG2 VAL 23 8.733 -6.841 0.590 199 3HG2 VAL 23 3HG2 VAL 23 9.128 -8.209 -0.478 200 H ALA 24 H ALA 24 4.459 -10.083 -0.983 201 HA ALA 24 HA ALA 24 4.011 -11.222 1.596 202 1HB ALA 24 1HB ALA 24 2.113 -11.739 -0.637 203 2HB ALA 24 2HB ALA 24 1.812 -11.095 0.995 204 3HB ALA 24 3HB ALA 24 2.444 -10.027 -0.280 205 H GLN 25 H GLN 25 4.222 -12.496 -1.798 206 HA GLN 25 HA GLN 25 3.812 -15.118 -1.190 207 1HB GLN 25 1HB GLN 25 4.822 -13.567 -3.426 208 2HB GLN 25 2HB GLN 25 5.771 -15.032 -3.267 209 1HG GLN 25 1HG GLN 25 2.966 -15.677 -2.869 210 2HG GLN 25 2HG GLN 25 3.132 -14.756 -4.351 211 1HE2 GLN 25 1HE2 GLN 25 3.525 -17.745 -2.814 212 2HE2 GLN 25 2HE2 GLN 25 4.312 -18.627 -4.080 213 H GLU 26 H GLU 26 6.763 -13.122 -0.868 214 HA GLU 26 HA GLU 26 8.480 -15.300 -0.447 215 1HB GLU 26 1HB GLU 26 8.621 -12.363 -0.406 216 2HB GLU 26 2HB GLU 26 9.626 -13.080 0.838 217 1HG GLU 26 1HG GLU 26 9.737 -14.308 -1.911 218 2HG GLU 26 2HG GLU 26 10.498 -12.744 -1.696 219 H ASN 27 H ASN 27 5.907 -14.141 1.391 220 HA ASN 27 HA ASN 27 7.067 -15.367 3.752 221 1HB ASN 27 1HB ASN 27 5.774 -12.636 3.509 222 2HB ASN 27 2HB ASN 27 5.521 -13.541 4.989 223 1HD2 ASN 27 1HD2 ASN 27 7.458 -11.369 3.432 224 2HD2 ASN 27 2HD2 ASN 27 8.913 -11.494 4.362 225 H ASN 28 H ASN 28 5.010 -15.863 1.401 226 HA ASN 28 HA ASN 28 2.974 -16.594 1.083 227 1HB ASN 28 1HB ASN 28 4.276 -18.368 2.642 228 2HB ASN 28 2HB ASN 28 3.017 -17.956 3.789 229 1HD2 ASN 28 1HD2 ASN 28 1.667 -19.596 3.799 230 2HD2 ASN 28 2HD2 ASN 28 0.892 -20.314 2.426 231 H ILE 29 H ILE 29 2.835 -14.000 2.157 232 HA ILE 29 HA ILE 29 0.884 -14.132 4.323 233 HB ILE 29 HB ILE 29 2.766 -12.084 3.267 234 1HG1 ILE 29 1HG1 ILE 29 1.973 -13.171 5.968 235 2HG1 ILE 29 2HG1 ILE 29 3.528 -13.262 5.165 236 1HG2 ILE 29 1HG2 ILE 29 0.227 -11.369 4.760 237 2HG2 ILE 29 2HG2 ILE 29 1.574 -10.269 4.384 238 3HG2 ILE 29 3HG2 ILE 29 0.599 -10.963 3.067 239 1HD1 ILE 29 1HD1 ILE 29 3.950 -11.512 6.635 240 2HD1 ILE 29 2HD1 ILE 29 3.346 -10.585 5.240 241 3HD1 ILE 29 3HD1 ILE 29 2.263 -10.943 6.607 242 H GLU 30 H GLU 30 -1.167 -14.483 3.642 243 HA GLU 30 HA GLU 30 -1.928 -13.614 1.036 244 1HB GLU 30 1HB GLU 30 -2.833 -15.548 2.958 245 2HB GLU 30 2HB GLU 30 -4.183 -14.485 2.617 246 1HG GLU 30 1HG GLU 30 -3.430 -14.823 0.081 247 2HG GLU 30 2HG GLU 30 -2.636 -16.253 0.709 248 H ASN 31 H ASN 31 -1.381 -11.881 3.731 249 HA ASN 31 HA ASN 31 -3.375 -9.954 2.977 250 1HB ASN 31 1HB ASN 31 -3.655 -9.596 5.632 251 2HB ASN 31 2HB ASN 31 -4.679 -10.718 4.760 252 1HD2 ASN 31 1HD2 ASN 31 -2.441 -10.295 7.242 253 2HD2 ASN 31 2HD2 ASN 31 -2.149 -11.948 7.671 254 HA PRO 32 HA PRO 32 0.803 -8.412 4.109 255 1HB PRO 32 1HB PRO 32 1.464 -7.259 1.720 256 2HB PRO 32 2HB PRO 32 1.946 -8.884 2.166 257 1HG PRO 32 1HG PRO 32 -0.157 -8.029 0.274 258 2HG PRO 32 2HG PRO 32 0.621 -9.593 0.417 259 1HD PRO 32 1HD PRO 32 -2.005 -8.892 1.335 260 2HD PRO 32 2HD PRO 32 -1.182 -10.420 1.580 261 H ILE 33 H ILE 33 0.645 -6.773 5.493 262 HA ILE 33 HA ILE 33 -0.993 -4.541 4.549 263 HB ILE 33 HB ILE 33 -0.230 -5.579 7.259 264 1HG1 ILE 33 1HG1 ILE 33 -2.965 -4.723 6.354 265 2HG1 ILE 33 2HG1 ILE 33 -2.318 -6.262 5.820 266 1HG2 ILE 33 1HG2 ILE 33 -1.118 -3.604 8.313 267 2HG2 ILE 33 2HG2 ILE 33 0.211 -3.136 7.226 268 3HG2 ILE 33 3HG2 ILE 33 -1.478 -2.869 6.731 269 1HD1 ILE 33 1HD1 ILE 33 -2.453 -7.206 7.911 270 2HD1 ILE 33 2HD1 ILE 33 -1.989 -5.697 8.733 271 3HD1 ILE 33 3HD1 ILE 33 -3.663 -5.927 8.173 272 H LEU 34 H LEU 34 0.383 -3.338 3.253 273 HA LEU 34 HA LEU 34 2.960 -2.618 4.437 274 1HB LEU 34 1HB LEU 34 3.775 -2.284 2.324 275 2HB LEU 34 2HB LEU 34 2.705 -3.654 2.105 276 HG LEU 34 HG LEU 34 2.344 -2.264 0.246 277 1HD1 LEU 34 1HD1 LEU 34 0.265 -3.104 1.077 278 2HD1 LEU 34 2HD1 LEU 34 0.145 -1.791 2.273 279 3HD1 LEU 34 3HD1 LEU 34 0.002 -1.429 0.536 280 1HD2 LEU 34 1HD2 LEU 34 1.846 0.150 1.992 281 2HD2 LEU 34 2HD2 LEU 34 3.455 -0.255 1.346 282 3HD2 LEU 34 3HD2 LEU 34 2.107 0.079 0.233 283 H ARG 35 H ARG 35 3.627 -0.360 4.461 284 HA ARG 35 HA ARG 35 1.324 1.419 4.384 285 1HB ARG 35 1HB ARG 35 2.071 2.532 6.387 286 2HB ARG 35 2HB ARG 35 2.161 0.818 6.740 287 1HG ARG 35 1HG ARG 35 4.599 0.825 6.207 288 2HG ARG 35 2HG ARG 35 4.518 2.531 5.818 289 1HD ARG 35 1HD ARG 35 4.193 3.175 8.068 290 2HD ARG 35 2HD ARG 35 3.534 1.619 8.531 291 HE ARG 35 HE ARG 35 6.178 1.101 7.719 292 1HH1 ARG 35 2HH2 ARG 35 4.589 3.038 10.190 293 2HH1 ARG 35 1HH2 ARG 35 5.911 2.932 11.304 294 1HH2 ARG 35 2HH1 ARG 35 7.922 0.960 9.189 295 2HH2 ARG 35 1HH1 ARG 35 7.819 1.742 10.731 296 H ILE 36 H ILE 36 1.742 3.573 3.589 297 HA ILE 36 HA ILE 36 4.183 3.735 2.026 298 HB ILE 36 HB ILE 36 1.795 4.151 1.180 299 1HG1 ILE 36 1HG1 ILE 36 2.660 6.074 -0.280 300 2HG1 ILE 36 2HG1 ILE 36 4.144 5.977 0.646 301 1HG2 ILE 36 1HG2 ILE 36 2.296 6.867 2.424 302 2HG2 ILE 36 2HG2 ILE 36 0.902 6.372 1.434 303 3HG2 ILE 36 3HG2 ILE 36 1.147 5.658 3.046 304 1HD1 ILE 36 1HD1 ILE 36 3.462 3.290 -0.061 305 2HD1 ILE 36 2HD1 ILE 36 3.262 4.283 -1.525 306 3HD1 ILE 36 3HD1 ILE 36 4.822 4.266 -0.668 307 H ARG 37 H ARG 37 5.703 5.440 2.200 308 HA ARG 37 HA ARG 37 5.306 7.197 4.459 309 1HB ARG 37 1HB ARG 37 6.857 4.964 4.792 310 2HB ARG 37 2HB ARG 37 8.069 6.057 4.154 311 1HG ARG 37 1HG ARG 37 7.391 7.753 5.917 312 2HG ARG 37 2HG ARG 37 6.300 6.560 6.593 313 1HD ARG 37 1HD ARG 37 8.621 5.083 6.464 314 2HD ARG 37 2HD ARG 37 9.284 6.685 6.716 315 HE ARG 37 HE ARG 37 7.744 5.116 8.641 316 1HH1 ARG 37 2HH2 ARG 37 8.678 8.377 7.706 317 2HH1 ARG 37 1HH2 ARG 37 8.440 9.037 9.290 318 1HH2 ARG 37 2HH1 ARG 37 7.429 5.986 10.731 319 2HH2 ARG 37 1HH1 ARG 37 7.724 7.667 11.022 320 H VAL 38 H VAL 38 7.040 9.015 4.442 321 HA VAL 38 HA VAL 38 7.589 9.679 1.644 322 HB VAL 38 HB VAL 38 7.742 11.603 3.936 323 1HG1 VAL 38 1HG1 VAL 38 6.533 12.871 1.837 324 2HG1 VAL 38 2HG1 VAL 38 8.287 12.854 2.139 325 3HG1 VAL 38 3HG1 VAL 38 7.571 11.700 0.988 326 1HG2 VAL 38 1HG2 VAL 38 5.628 11.014 4.507 327 2HG2 VAL 38 2HG2 VAL 38 5.199 12.005 3.092 328 3HG2 VAL 38 3HG2 VAL 38 5.304 10.235 2.940 329 H VAL 39 H VAL 39 9.661 9.850 0.898 330 HA VAL 39 HA VAL 39 11.773 9.734 2.938 331 HB VAL 39 HB VAL 39 11.719 8.410 0.219 332 1HG1 VAL 39 1HG1 VAL 39 13.945 9.271 1.414 333 2HG1 VAL 39 2HG1 VAL 39 13.749 7.745 2.310 334 3HG1 VAL 39 3HG1 VAL 39 13.880 7.724 0.535 335 1HG2 VAL 39 1HG2 VAL 39 11.786 6.949 2.854 336 2HG2 VAL 39 2HG2 VAL 39 10.239 7.471 2.143 337 3HG2 VAL 39 3HG2 VAL 39 11.301 6.360 1.245 338 HA PRO 40 HA PRO 40 12.476 13.484 0.642 339 1HB PRO 40 1HB PRO 40 13.472 14.941 2.728 340 2HB PRO 40 2HB PRO 40 11.772 14.910 2.306 341 1HG PRO 40 1HG PRO 40 13.148 13.574 4.555 342 2HG PRO 40 2HG PRO 40 11.439 13.908 4.357 343 1HD PRO 40 1HD PRO 40 12.746 11.379 4.004 344 2HD PRO 40 2HD PRO 40 11.059 11.739 3.694 345 H GLY 41 H GLY 41 13.993 12.402 -0.681 346 1HA GLY 41 1HA GLY 41 16.408 13.298 -0.958 347 2HA GLY 41 2HA GLY 41 16.696 12.323 0.469 348 H GLY 42 H GLY 42 15.779 12.273 -2.980 349 1HA GLY 42 1HA GLY 42 16.407 9.382 -3.021 350 2HA GLY 42 2HA GLY 42 15.100 10.085 -3.954 351 H CYS 43 H CYS 43 17.987 8.791 -4.457 352 HA CYS 43 HA CYS 43 19.567 10.687 -5.675 353 1HB CYS 43 1HB CYS 43 19.376 7.759 -5.646 354 2HB CYS 43 2HB CYS 43 19.993 8.381 -7.164 355 HG CYS 43 HG CYS 43 20.983 9.700 -4.327 356 H SER 44 H SER 44 16.933 8.571 -7.007 357 HA SER 44 HA SER 44 17.151 9.780 -9.565 358 1HB SER 44 1HB SER 44 16.171 7.386 -8.658 359 2HB SER 44 2HB SER 44 14.673 8.275 -8.849 360 HG SER 44 HG SER 44 16.150 8.782 -11.050 361 H GLY 45 H GLY 45 15.031 10.042 -6.672 362 1HA GLY 45 1HA GLY 45 14.348 12.681 -7.005 363 2HA GLY 45 2HA GLY 45 13.129 11.789 -7.893 364 H PHE 46 H PHE 46 12.234 13.236 -5.760 365 HA PHE 46 HA PHE 46 12.230 11.576 -3.406 366 1HB PHE 46 1HB PHE 46 10.728 13.495 -2.623 367 2HB PHE 46 2HB PHE 46 12.280 14.042 -3.226 368 HD1 PHE 46 1HD PHE 46 12.442 15.276 -5.308 369 HD2 PHE 46 2HD PHE 46 8.684 13.905 -3.892 370 HE1 PHE 46 1HE PHE 46 11.276 16.794 -6.931 371 HE2 PHE 46 2HE PHE 46 7.518 15.423 -5.515 372 HZ PHE 46 HZ PHE 46 8.828 16.849 -7.016 373 H GLN 47 H GLN 47 10.943 9.793 -3.330 374 HA GLN 47 HA GLN 47 8.192 10.170 -4.121 375 1HB GLN 47 1HB GLN 47 10.002 7.984 -5.223 376 2HB GLN 47 2HB GLN 47 8.254 7.872 -5.266 377 1HG GLN 47 1HG GLN 47 8.534 8.900 -7.310 378 2HG GLN 47 2HG GLN 47 8.515 10.353 -6.329 379 1HE2 GLN 47 1HE2 GLN 47 9.689 10.986 -8.385 380 2HE2 GLN 47 2HE2 GLN 47 11.419 10.899 -8.371 381 H TYR 48 H TYR 48 7.031 7.818 -3.572 382 HA TYR 48 HA TYR 48 7.885 7.293 -0.815 383 1HB TYR 48 1HB TYR 48 5.288 6.898 -2.429 384 2HB TYR 48 2HB TYR 48 5.446 6.437 -0.746 385 HD1 TYR 48 1HD TYR 48 6.048 9.471 -2.885 386 HD2 TYR 48 2HD TYR 48 4.601 7.912 0.827 387 HE1 TYR 48 1HE TYR 48 5.340 11.806 -2.173 388 HE2 TYR 48 2HE TYR 48 3.898 10.253 1.527 389 HH TYR 48 HH TYR 48 4.682 12.621 0.927 390 H ALA 49 H ALA 49 8.435 5.245 -0.135 391 HA ALA 49 HA ALA 49 8.552 3.227 -2.249 392 1HB ALA 49 1HB ALA 49 10.183 2.141 -0.681 393 2HB ALA 49 2HB ALA 49 10.675 3.770 -1.200 394 3HB ALA 49 3HB ALA 49 9.983 3.525 0.421 395 H MET 50 H MET 50 8.043 0.943 -1.615 396 HA MET 50 HA MET 50 5.848 0.974 0.309 397 1HB MET 50 1HB MET 50 6.264 -0.268 -2.397 398 2HB MET 50 2HB MET 50 5.443 -1.288 -1.232 399 1HG MET 50 1HG MET 50 3.613 0.203 -1.007 400 2HG MET 50 2HG MET 50 4.535 1.584 -1.568 401 1HE MET 50 1HE MET 50 1.770 0.632 -2.193 402 2HE MET 50 2HE MET 50 1.483 0.437 -3.939 403 3HE MET 50 3HE MET 50 1.798 -0.991 -2.924 404 H GLY 51 H GLY 51 5.483 -1.083 1.535 405 1HA GLY 51 1HA GLY 51 7.317 -3.196 1.568 406 2HA GLY 51 2HA GLY 51 7.858 -2.003 2.732 407 H PHE 52 H PHE 52 6.327 -4.827 2.690 408 HA PHE 52 HA PHE 52 3.884 -4.310 3.992 409 1HB PHE 52 1HB PHE 52 4.222 -6.449 2.922 410 2HB PHE 52 2HB PHE 52 5.829 -6.627 3.598 411 HD1 PHE 52 1HD PHE 52 6.137 -7.424 5.887 412 HD2 PHE 52 2HD PHE 52 2.259 -7.069 4.200 413 HE1 PHE 52 1HE PHE 52 5.205 -8.856 7.726 414 HE2 PHE 52 2HE PHE 52 1.328 -8.501 6.039 415 HZ PHE 52 HZ PHE 52 2.812 -9.378 7.780 416 H ASP 53 H ASP 53 3.419 -3.868 6.105 417 HA ASP 53 HA ASP 53 5.662 -3.635 7.872 418 1HB ASP 53 1HB ASP 53 3.607 -2.009 7.576 419 2HB ASP 53 2HB ASP 53 2.755 -3.144 8.604 420 H ASP 54 H ASP 54 4.972 -4.316 10.347 421 HA ASP 54 HA ASP 54 4.701 -7.106 10.246 422 1HB ASP 54 1HB ASP 54 4.987 -4.998 12.373 423 2HB ASP 54 2HB ASP 54 4.370 -6.556 12.888 424 H THR 55 H THR 55 2.617 -4.310 11.185 425 HA THR 55 HA THR 55 0.239 -5.781 10.683 426 HB THR 55 HB THR 55 1.225 -6.449 13.103 427 HG1 THR 55 1HG THR 55 -0.916 -7.099 13.285 428 1HG2 THR 55 1HG2 THR 55 0.880 -3.740 13.559 429 2HG2 THR 55 2HG2 THR 55 -0.713 -4.378 14.030 430 3HG2 THR 55 3HG2 THR 55 0.758 -4.984 14.827 431 H VAL 56 H VAL 56 -1.700 -4.319 11.768 432 HA VAL 56 HA VAL 56 -1.248 -1.764 10.512 433 HB VAL 56 HB VAL 56 -3.440 -3.523 11.047 434 1HG1 VAL 56 1HG1 VAL 56 -3.850 -2.056 13.009 435 2HG1 VAL 56 2HG1 VAL 56 -3.946 -0.657 11.913 436 3HG1 VAL 56 3HG1 VAL 56 -5.147 -1.965 11.794 437 1HG2 VAL 56 1HG2 VAL 56 -4.382 -2.499 9.186 438 2HG2 VAL 56 2HG2 VAL 56 -3.668 -0.913 9.565 439 3HG2 VAL 56 3HG2 VAL 56 -2.643 -2.221 8.928 440 H GLU 57 H GLU 57 -1.767 0.298 11.597 441 HA GLU 57 HA GLU 57 -0.735 0.209 14.282 442 1HB GLU 57 1HB GLU 57 -1.469 2.705 12.714 443 2HB GLU 57 2HB GLU 57 -0.323 2.559 14.031 444 1HG GLU 57 1HG GLU 57 0.638 0.709 12.155 445 2HG GLU 57 2HG GLU 57 0.054 2.021 11.150 446 H GLU 58 H GLU 58 -1.791 1.938 15.862 447 HA GLU 58 HA GLU 58 -4.560 1.187 15.982 448 1HB GLU 58 1HB GLU 58 -2.885 1.152 17.953 449 2HB GLU 58 2HB GLU 58 -3.035 2.898 17.982 450 1HG GLU 58 1HG GLU 58 -4.992 2.754 19.116 451 2HG GLU 58 2HG GLU 58 -5.696 1.778 17.842 452 H GLY 59 H GLY 59 -3.484 3.155 13.926 453 1HA GLY 59 1HA GLY 59 -5.615 4.958 13.917 454 2HA GLY 59 2HA GLY 59 -4.242 5.778 14.634 455 H ASP 60 H ASP 60 -4.918 3.537 11.843 456 HA ASP 60 HA ASP 60 -3.424 5.412 10.204 457 1HB ASP 60 1HB ASP 60 -2.480 2.867 10.962 458 2HB ASP 60 2HB ASP 60 -3.134 2.602 9.358 459 H HIS 61 H HIS 61 -4.409 5.716 8.143 460 HA HIS 61 HA HIS 61 -7.041 4.772 7.849 461 1HB HIS 61 1HB HIS 61 -5.264 6.092 5.780 462 2HB HIS 61 2HB HIS 61 -7.012 5.982 5.739 463 HD1 HIS 61 1HD HIS 61 -5.807 6.708 9.136 464 HD2 HIS 61 2HD HIS 61 -6.770 8.919 5.704 465 HE1 HIS 61 1HE HIS 61 -6.100 9.125 9.901 466 H VAL 62 H VAL 62 -7.069 2.491 7.845 467 HA VAL 62 HA VAL 62 -5.370 1.050 6.053 468 HB VAL 62 HB VAL 62 -6.622 0.479 8.377 469 1HG1 VAL 62 1HG1 VAL 62 -8.418 -1.106 8.017 470 2HG1 VAL 62 2HG1 VAL 62 -8.847 0.445 7.258 471 3HG1 VAL 62 3HG1 VAL 62 -8.286 -0.913 6.253 472 1HG2 VAL 62 1HG2 VAL 62 -4.927 -0.967 7.943 473 2HG2 VAL 62 2HG2 VAL 62 -6.263 -2.035 7.453 474 3HG2 VAL 62 3HG2 VAL 62 -5.354 -1.126 6.223 475 H PHE 63 H PHE 63 -5.685 0.877 3.901 476 HA PHE 63 HA PHE 63 -8.455 1.131 2.960 477 1HB PHE 63 1HB PHE 63 -6.267 2.730 2.423 478 2HB PHE 63 2HB PHE 63 -6.034 1.513 1.184 479 HD1 PHE 63 1HD PHE 63 -6.602 2.498 -0.830 480 HD2 PHE 63 2HD PHE 63 -9.169 3.048 2.504 481 HE1 PHE 63 1HE PHE 63 -8.260 3.677 -2.301 482 HE2 PHE 63 2HE PHE 63 -10.826 4.227 1.034 483 HZ PHE 63 HZ PHE 63 -10.352 4.527 -1.351 484 H GLU 64 H GLU 64 -9.308 -0.748 2.219 485 HA GLU 64 HA GLU 64 -7.728 -3.012 1.876 486 1HB GLU 64 1HB GLU 64 -10.563 -2.454 0.898 487 2HB GLU 64 2HB GLU 64 -9.828 -4.042 0.992 488 1HG GLU 64 1HG GLU 64 -9.583 -3.840 3.437 489 2HG GLU 64 2HG GLU 64 -10.155 -2.184 3.394 490 H TYR 65 H TYR 65 -6.934 -4.071 0.016 491 HA TYR 65 HA TYR 65 -7.143 -2.491 -2.459 492 1HB TYR 65 1HB TYR 65 -4.940 -3.758 -0.854 493 2HB TYR 65 2HB TYR 65 -4.844 -4.115 -2.567 494 HD1 TYR 65 1HD TYR 65 -6.312 -0.921 -1.570 495 HD2 TYR 65 2HD TYR 65 -2.679 -2.906 -2.648 496 HE1 TYR 65 1HE TYR 65 -5.196 1.327 -1.978 497 HE2 TYR 65 2HE TYR 65 -1.575 -0.652 -3.052 498 HH TYR 65 HH TYR 65 -1.966 1.512 -3.356 499 H ASP 66 H ASP 66 -5.879 -4.352 -4.165 500 HA ASP 66 HA ASP 66 -8.044 -6.004 -4.720 501 1HB ASP 66 1HB ASP 66 -6.085 -5.078 -6.233 502 2HB ASP 66 2HB ASP 66 -5.226 -6.519 -5.728 503 H GLY 67 H GLY 67 -8.090 -7.014 -2.415 504 1HA GLY 67 1HA GLY 67 -7.967 -8.984 -1.292 505 2HA GLY 67 2HA GLY 67 -6.877 -9.620 -2.508 506 H VAL 68 H VAL 68 -6.086 -6.472 -1.151 507 HA VAL 68 HA VAL 68 -4.281 -7.703 0.786 508 HB VAL 68 HB VAL 68 -3.452 -5.753 -1.373 509 1HG1 VAL 68 1HG1 VAL 68 -1.156 -6.107 -0.418 510 2HG1 VAL 68 2HG1 VAL 68 -2.269 -5.218 0.649 511 3HG1 VAL 68 3HG1 VAL 68 -1.917 -6.934 0.962 512 1HG2 VAL 68 1HG2 VAL 68 -1.798 -7.845 -1.700 513 2HG2 VAL 68 2HG2 VAL 68 -3.224 -8.709 -1.076 514 3HG2 VAL 68 3HG2 VAL 68 -3.360 -7.707 -2.541 515 H LYS 69 H LYS 69 -3.305 -5.946 2.247 516 HA LYS 69 HA LYS 69 -5.359 -3.883 2.635 517 1HB LYS 69 1HB LYS 69 -3.666 -5.420 4.617 518 2HB LYS 69 2HB LYS 69 -4.529 -3.956 5.046 519 1HG LYS 69 1HG LYS 69 -6.508 -5.064 5.176 520 2HG LYS 69 2HG LYS 69 -6.301 -5.751 3.577 521 1HD LYS 69 1HD LYS 69 -5.343 -7.714 4.380 522 2HD LYS 69 2HD LYS 69 -4.601 -6.923 5.756 523 1HE LYS 69 1HE LYS 69 -6.549 -7.040 7.062 524 2HE LYS 69 2HE LYS 69 -7.615 -7.044 5.671 525 1HZ LYS 69 1HZ LYS 69 -5.837 -9.279 6.361 526 2HZ LYS 69 2HZ LYS 69 -7.413 -9.200 6.783 527 3HZ LYS 69 3HZ LYS 69 -6.992 -9.271 5.206 528 H VAL 70 H VAL 70 -4.677 -1.741 3.185 529 HA VAL 70 HA VAL 70 -1.818 -1.232 2.967 530 HB VAL 70 HB VAL 70 -3.935 -0.015 1.183 531 1HG1 VAL 70 1HG1 VAL 70 -2.448 1.753 1.863 532 2HG1 VAL 70 2HG1 VAL 70 -1.019 0.734 1.566 533 3HG1 VAL 70 3HG1 VAL 70 -2.024 1.277 0.201 534 1HG2 VAL 70 1HG2 VAL 70 -1.852 -2.095 0.824 535 2HG2 VAL 70 2HG2 VAL 70 -3.393 -1.848 -0.031 536 3HG2 VAL 70 3HG2 VAL 70 -1.966 -0.880 -0.471 537 H VAL 71 H VAL 71 -1.191 0.814 3.912 538 HA VAL 71 HA VAL 71 -3.300 2.317 5.217 539 HB VAL 71 HB VAL 71 -2.672 1.929 7.380 540 1HG1 VAL 71 1HG1 VAL 71 -2.335 -0.538 7.692 541 2HG1 VAL 71 2HG1 VAL 71 -3.664 -0.114 6.586 542 3HG1 VAL 71 3HG1 VAL 71 -2.107 -0.678 5.932 543 1HG2 VAL 71 1HG2 VAL 71 -0.314 2.476 7.166 544 2HG2 VAL 71 2HG2 VAL 71 -0.496 0.963 8.085 545 3HG2 VAL 71 3HG2 VAL 71 0.009 0.913 6.379 546 H ILE 72 H ILE 72 -2.519 4.423 6.003 547 HA ILE 72 HA ILE 72 0.162 5.122 5.124 548 HB ILE 72 HB ILE 72 -2.328 6.503 4.118 549 1HG1 ILE 72 1HG1 ILE 72 -0.965 5.832 1.898 550 2HG1 ILE 72 2HG1 ILE 72 -0.454 4.513 2.932 551 1HG2 ILE 72 1HG2 ILE 72 -0.514 7.761 2.747 552 2HG2 ILE 72 2HG2 ILE 72 -0.847 8.255 4.424 553 3HG2 ILE 72 3HG2 ILE 72 0.580 7.256 4.057 554 1HD1 ILE 72 1HD1 ILE 72 -3.295 5.282 2.161 555 2HD1 ILE 72 2HD1 ILE 72 -2.452 3.744 1.859 556 3HD1 ILE 72 3HD1 ILE 72 -2.948 4.177 3.513 557 H ASP 73 H ASP 73 1.093 6.759 6.364 558 HA ASP 73 HA ASP 73 0.066 7.099 8.885 559 1HB ASP 73 1HB ASP 73 2.377 7.902 7.390 560 2HB ASP 73 2HB ASP 73 1.743 9.355 8.134 561 HA PRO 74 HA PRO 74 -2.538 10.600 8.439 562 1HB PRO 74 1HB PRO 74 -2.158 12.014 10.746 563 2HB PRO 74 2HB PRO 74 -3.159 10.578 10.656 564 1HG PRO 74 1HG PRO 74 -0.453 10.883 11.807 565 2HG PRO 74 2HG PRO 74 -1.623 9.606 12.076 566 1HD PRO 74 1HD PRO 74 0.717 9.469 10.423 567 2HD PRO 74 2HD PRO 74 -0.514 8.235 10.601 568 H PHE 75 H PHE 75 0.790 11.295 9.085 569 HA PHE 75 HA PHE 75 0.510 14.025 8.262 570 1HB PHE 75 1HB PHE 75 2.327 12.371 9.686 571 2HB PHE 75 2HB PHE 75 3.188 12.718 8.200 572 HD1 PHE 75 1HD PHE 75 1.748 14.180 11.240 573 HD2 PHE 75 2HD PHE 75 3.981 14.945 7.713 574 HE1 PHE 75 1HE PHE 75 2.439 16.410 12.162 575 HE2 PHE 75 2HE PHE 75 4.672 17.175 8.635 576 HZ PHE 75 HZ PHE 75 3.893 17.881 10.848 577 H SER 76 H SER 76 0.956 10.924 6.715 578 HA SER 76 HA SER 76 2.215 12.107 4.420 579 1HB SER 76 1HB SER 76 3.072 9.972 4.705 580 2HB SER 76 2HB SER 76 1.578 9.336 5.365 581 HG SER 76 HG SER 76 2.359 8.770 3.023 582 H MET 77 H MET 77 -0.963 11.504 5.669 583 HA MET 77 HA MET 77 -2.373 10.893 3.407 584 1HB MET 77 1HB MET 77 -2.896 11.572 6.094 585 2HB MET 77 2HB MET 77 -3.704 12.850 5.207 586 1HG MET 77 1HG MET 77 -4.088 9.943 4.402 587 2HG MET 77 2HG MET 77 -5.022 10.629 5.716 588 1HE MET 77 1HE MET 77 -5.909 10.898 1.383 589 2HE MET 77 2HE MET 77 -4.187 10.919 1.833 590 3HE MET 77 3HE MET 77 -5.244 9.610 2.416 591 HA PRO 78 HA PRO 78 -2.681 15.564 2.618 592 1HB PRO 78 1HB PRO 78 -1.074 17.288 4.001 593 2HB PRO 78 2HB PRO 78 -2.728 16.938 4.465 594 1HG PRO 78 1HG PRO 78 -0.216 15.990 5.702 595 2HG PRO 78 2HG PRO 78 -1.833 16.010 6.378 596 1HD PRO 78 1HD PRO 78 -0.435 13.731 5.339 597 2HD PRO 78 2HD PRO 78 -2.092 13.775 5.907 598 H TYR 79 H TYR 79 -0.168 13.577 2.544 599 HA TYR 79 HA TYR 79 1.388 15.370 0.815 600 1HB TYR 79 1HB TYR 79 1.944 13.498 2.938 601 2HB TYR 79 2HB TYR 79 2.487 12.705 1.472 602 HD1 TYR 79 1HD TYR 79 4.160 13.727 3.880 603 HD2 TYR 79 2HD TYR 79 3.246 15.401 0.050 604 HE1 TYR 79 1HE TYR 79 6.316 15.072 3.946 605 HE2 TYR 79 2HE TYR 79 5.406 16.741 0.129 606 HH TYR 79 HH TYR 79 7.452 16.693 3.012 607 H VAL 80 H VAL 80 -0.312 12.220 1.042 608 HA VAL 80 HA VAL 80 -0.027 12.017 -1.874 609 HB VAL 80 HB VAL 80 -0.001 9.559 -1.571 610 1HG1 VAL 80 1HG1 VAL 80 2.103 10.482 -2.030 611 2HG1 VAL 80 2HG1 VAL 80 2.215 11.266 -0.436 612 3HG1 VAL 80 3HG1 VAL 80 2.382 9.499 -0.572 613 1HG2 VAL 80 1HG2 VAL 80 -0.492 10.290 1.190 614 2HG2 VAL 80 2HG2 VAL 80 -0.587 8.696 0.403 615 3HG2 VAL 80 3HG2 VAL 80 0.964 9.276 1.054 616 H ASN 81 H ASN 81 -2.094 13.482 -0.933 617 HA ASN 81 HA ASN 81 -4.296 11.652 -0.546 618 1HB ASN 81 1HB ASN 81 -4.494 13.484 0.949 619 2HB ASN 81 2HB ASN 81 -3.880 14.637 -0.220 620 1HD2 ASN 81 1HD2 ASN 81 -6.556 12.330 0.223 621 2HD2 ASN 81 2HD2 ASN 81 -7.814 13.321 -0.439 622 H GLY 82 H GLY 82 -5.885 11.335 -2.174 623 1HA GLY 82 1HA GLY 82 -6.702 11.267 -4.273 624 2HA GLY 82 2HA GLY 82 -6.636 13.016 -4.188 625 H ALA 83 H ALA 83 -4.311 10.242 -4.601 626 HA ALA 83 HA ALA 83 -3.412 11.396 -7.084 627 1HB ALA 83 1HB ALA 83 -2.132 12.241 -4.786 628 2HB ALA 83 2HB ALA 83 -1.135 10.855 -5.287 629 3HB ALA 83 3HB ALA 83 -1.408 12.208 -6.411 630 H GLU 84 H GLU 84 -1.338 9.879 -7.765 631 HA GLU 84 HA GLU 84 -1.979 7.178 -6.916 632 1HB GLU 84 1HB GLU 84 -2.034 6.367 -9.221 633 2HB GLU 84 2HB GLU 84 -3.228 7.635 -9.027 634 1HG GLU 84 1HG GLU 84 -1.421 9.275 -9.896 635 2HG GLU 84 2HG GLU 84 -0.487 7.861 -10.341 636 H LEU 85 H LEU 85 -0.195 5.708 -6.989 637 HA LEU 85 HA LEU 85 2.346 6.925 -7.804 638 1HB LEU 85 1HB LEU 85 3.050 6.983 -5.724 639 2HB LEU 85 2HB LEU 85 1.507 6.374 -5.159 640 HG LEU 85 HG LEU 85 2.348 4.043 -5.506 641 1HD1 LEU 85 1HD1 LEU 85 5.172 4.786 -5.512 642 2HD1 LEU 85 2HD1 LEU 85 4.303 3.555 -6.460 643 3HD1 LEU 85 3HD1 LEU 85 4.330 5.248 -7.011 644 1HD2 LEU 85 1HD2 LEU 85 3.548 5.963 -3.549 645 2HD2 LEU 85 2HD2 LEU 85 2.411 4.619 -3.288 646 3HD2 LEU 85 3HD2 LEU 85 4.133 4.282 -3.586 647 H ASP 86 H ASP 86 3.219 5.747 -9.413 648 HA ASP 86 HA ASP 86 2.332 3.011 -9.656 649 1HB ASP 86 1HB ASP 86 3.685 3.212 -11.867 650 2HB ASP 86 2HB ASP 86 2.202 4.136 -11.734 651 H TYR 87 H TYR 87 3.616 1.603 -8.427 652 HA TYR 87 HA TYR 87 6.405 2.224 -8.000 653 1HB TYR 87 1HB TYR 87 4.384 1.061 -6.543 654 2HB TYR 87 2HB TYR 87 5.018 -0.388 -7.297 655 HD1 TYR 87 1HD TYR 87 6.796 2.638 -5.974 656 HD2 TYR 87 2HD TYR 87 6.144 -1.577 -5.639 657 HE1 TYR 87 1HE TYR 87 8.601 2.493 -4.189 658 HE2 TYR 87 2HE TYR 87 7.951 -1.708 -3.855 659 HH TYR 87 HH TYR 87 10.150 0.736 -3.337 660 H VAL 88 H VAL 88 8.072 1.476 -9.212 661 HA VAL 88 HA VAL 88 7.442 -0.605 -11.166 662 HB VAL 88 HB VAL 88 9.539 1.545 -10.962 663 1HG1 VAL 88 1HG1 VAL 88 9.484 -0.719 -12.986 664 2HG1 VAL 88 2HG1 VAL 88 10.604 0.665 -12.974 665 3HG1 VAL 88 3HG1 VAL 88 10.663 -0.539 -11.665 666 1HG2 VAL 88 1HG2 VAL 88 7.179 1.919 -11.926 667 2HG2 VAL 88 2HG2 VAL 88 8.571 2.436 -12.909 668 3HG2 VAL 88 3HG2 VAL 88 7.724 0.919 -13.294 669 H VAL 89 H VAL 89 8.822 -2.458 -11.412 670 HA VAL 89 HA VAL 89 10.596 -2.915 -9.120 671 HB VAL 89 HB VAL 89 8.744 -4.982 -10.306 672 1HG1 VAL 89 1HG1 VAL 89 9.970 -6.407 -9.108 673 2HG1 VAL 89 2HG1 VAL 89 10.955 -5.072 -8.462 674 3HG1 VAL 89 3HG1 VAL 89 9.460 -5.559 -7.628 675 1HG2 VAL 89 1HG2 VAL 89 7.374 -3.227 -9.302 676 2HG2 VAL 89 2HG2 VAL 89 7.339 -4.695 -8.296 677 3HG2 VAL 89 3HG2 VAL 89 8.336 -3.304 -7.807 678 H ASP 90 H ASP 90 12.587 -2.827 -10.065 679 HA ASP 90 HA ASP 90 13.059 -4.758 -12.137 680 1HB ASP 90 1HB ASP 90 14.052 -1.910 -12.530 681 2HB ASP 90 2HB ASP 90 14.060 -3.219 -13.695 682 H PHE 91 H PHE 91 15.710 -3.281 -12.703 683 HA PHE 91 HA PHE 91 17.281 -4.534 -10.802 684 1HB PHE 91 1HB PHE 91 17.644 -3.353 -13.217 685 2HB PHE 91 2HB PHE 91 18.097 -1.972 -12.237 686 HD1 PHE 91 1HD PHE 91 20.224 -1.852 -11.214 687 HD2 PHE 91 2HD PHE 91 18.948 -5.497 -12.972 688 HE1 PHE 91 1HE PHE 91 22.546 -2.776 -10.983 689 HE2 PHE 91 2HE PHE 91 21.270 -6.421 -12.741 690 HZ PHE 91 HZ PHE 91 23.041 -5.050 -11.749 691 H MET 92 H MET 92 15.384 -1.670 -10.514 692 HA MET 92 HA MET 92 17.140 -0.453 -8.600 693 1HB MET 92 1HB MET 92 14.829 0.288 -10.227 694 2HB MET 92 2HB MET 92 14.496 0.699 -8.557 695 1HG MET 92 1HG MET 92 16.228 2.267 -8.442 696 2HG MET 92 2HG MET 92 17.216 1.430 -9.622 697 1HE MET 92 1HE MET 92 15.111 5.116 -10.298 698 2HE MET 92 2HE MET 92 14.066 4.059 -9.319 699 3HE MET 92 3HE MET 92 15.761 4.323 -8.844 700 H GLY 93 H GLY 93 15.698 -3.222 -8.277 701 1HA GLY 93 1HA GLY 93 14.577 -4.366 -6.685 702 2HA GLY 93 2HA GLY 93 15.494 -3.360 -5.582 703 H GLY 94 H GLY 94 13.201 -1.853 -7.830 704 1HA GLY 94 1HA GLY 94 10.816 -1.692 -7.172 705 2HA GLY 94 2HA GLY 94 11.383 -1.360 -5.547 706 H GLY 95 H GLY 95 11.355 -0.143 -8.931 707 1HA GLY 95 1HA GLY 95 12.485 2.409 -8.221 708 2HA GLY 95 2HA GLY 95 11.829 1.916 -9.769 709 H PHE 96 H PHE 96 11.339 3.913 -7.083 710 HA PHE 96 HA PHE 96 8.473 3.804 -7.071 711 1HB PHE 96 1HB PHE 96 9.016 5.987 -5.653 712 2HB PHE 96 2HB PHE 96 9.499 4.434 -4.999 713 HD1 PHE 96 1HD PHE 96 11.697 4.119 -4.332 714 HD2 PHE 96 2HD PHE 96 10.822 7.221 -7.093 715 HE1 PHE 96 1HE PHE 96 14.072 4.918 -4.187 716 HE2 PHE 96 2HE PHE 96 13.197 8.020 -6.948 717 HZ PHE 96 HZ PHE 96 14.793 6.859 -5.497 718 H THR 97 H THR 97 7.023 5.363 -7.903 719 HA THR 97 HA THR 97 8.013 7.690 -9.244 720 HB THR 97 HB THR 97 7.209 5.185 -10.763 721 HG1 THR 97 1HG THR 97 9.406 5.600 -10.906 722 1HG2 THR 97 1HG2 THR 97 6.771 6.487 -12.755 723 2HG2 THR 97 2HG2 THR 97 5.730 7.185 -11.491 724 3HG2 THR 97 3HG2 THR 97 7.244 8.001 -11.947 725 H ILE 98 H ILE 98 6.461 9.256 -9.424 726 HA ILE 98 HA ILE 98 3.745 8.387 -8.721 727 HB ILE 98 HB ILE 98 5.432 10.597 -7.616 728 1HG1 ILE 98 1HG1 ILE 98 3.422 9.073 -6.033 729 2HG1 ILE 98 2HG1 ILE 98 4.804 8.173 -6.625 730 1HG2 ILE 98 1HG2 ILE 98 3.774 12.066 -7.917 731 2HG2 ILE 98 2HG2 ILE 98 2.598 10.802 -8.347 732 3HG2 ILE 98 3HG2 ILE 98 2.931 11.162 -6.636 733 1HD1 ILE 98 1HD1 ILE 98 4.706 9.916 -4.374 734 2HD1 ILE 98 2HD1 ILE 98 6.133 9.086 -5.039 735 3HD1 ILE 98 3HD1 ILE 98 5.720 10.726 -5.593 736 H ARG 99 H ARG 99 2.056 9.293 -9.902 737 HA ARG 99 HA ARG 99 2.919 11.162 -11.959 738 1HB ARG 99 1HB ARG 99 1.704 8.506 -12.243 739 2HB ARG 99 2HB ARG 99 0.690 9.724 -12.990 740 1HG ARG 99 1HG ARG 99 2.744 10.594 -14.213 741 2HG ARG 99 2HG ARG 99 3.654 9.250 -13.554 742 1HD ARG 99 1HD ARG 99 2.359 7.626 -14.762 743 2HD ARG 99 2HD ARG 99 1.079 8.773 -15.104 744 HE ARG 99 HE ARG 99 3.431 9.840 -16.260 745 1HH1 ARG 99 2HH2 ARG 99 1.399 6.993 -16.646 746 2HH1 ARG 99 1HH2 ARG 99 1.771 6.799 -18.327 747 1HH2 ARG 99 2HH1 ARG 99 3.921 9.585 -18.477 748 2HH2 ARG 99 1HH1 ARG 99 3.214 8.284 -19.375 749 H ASN 100 H ASN 100 2.030 13.056 -11.078 750 HA ASN 100 HA ASN 100 -0.240 13.182 -9.576 751 1HB ASN 100 1HB ASN 100 1.460 15.030 -9.894 752 2HB ASN 100 2HB ASN 100 0.832 15.310 -11.506 753 1HD2 ASN 100 1HD2 ASN 100 0.380 15.729 -8.119 754 2HD2 ASN 100 2HD2 ASN 100 -1.033 16.730 -8.156 755 HA PRO 101 HA PRO 101 -3.343 12.713 -12.657 756 1HB PRO 101 1HB PRO 101 -5.541 13.454 -11.211 757 2HB PRO 101 2HB PRO 101 -4.836 11.851 -11.130 758 1HG PRO 101 1HG PRO 101 -4.672 14.049 -9.160 759 2HG PRO 101 2HG PRO 101 -4.354 12.341 -8.929 760 1HD PRO 101 1HD PRO 101 -2.406 14.430 -9.194 761 2HD PRO 101 2HD PRO 101 -2.090 12.710 -9.079 Start of MODEL 15 1 H MET 1 H MET 1 -13.798 11.906 20.561 2 HA MET 1 HA MET 1 -16.127 10.893 19.698 3 1HB MET 1 1HB MET 1 -13.555 11.678 18.257 4 2HB MET 1 2HB MET 1 -14.944 11.152 17.327 5 1HG MET 1 1HG MET 1 -15.858 13.221 17.510 6 2HG MET 1 2HG MET 1 -15.916 13.048 19.253 7 1HE MET 1 1HE MET 1 -14.025 16.124 19.986 8 2HE MET 1 2HE MET 1 -15.655 15.592 19.508 9 3HE MET 1 3HE MET 1 -14.753 14.690 20.749 10 H GLN 2 H GLN 2 -16.582 9.271 17.890 11 HA GLN 2 HA GLN 2 -15.836 6.767 18.708 12 1HB GLN 2 1HB GLN 2 -17.480 7.943 16.656 13 2HB GLN 2 2HB GLN 2 -16.527 6.674 15.914 14 1HG GLN 2 1HG GLN 2 -17.282 5.407 18.229 15 2HG GLN 2 2HG GLN 2 -18.653 6.475 18.008 16 1HE2 GLN 2 1HE2 GLN 2 -20.253 5.453 17.095 17 2HE2 GLN 2 2HE2 GLN 2 -20.176 4.350 15.761 18 H GLU 3 H GLU 3 -15.139 5.354 16.285 19 HA GLU 3 HA GLU 3 -12.354 5.664 16.434 20 1HB GLU 3 1HB GLU 3 -14.288 3.869 15.040 21 2HB GLU 3 2HB GLU 3 -12.725 4.028 14.264 22 1HG GLU 3 1HG GLU 3 -11.550 3.220 16.190 23 2HG GLU 3 2HG GLU 3 -12.921 3.487 17.249 24 H GLN 4 H GLN 4 -10.873 6.095 14.579 25 HA GLN 4 HA GLN 4 -11.879 8.333 13.103 26 1HB GLN 4 1HB GLN 4 -9.597 8.224 14.265 27 2HB GLN 4 2HB GLN 4 -9.086 7.122 13.003 28 1HG GLN 4 1HG GLN 4 -9.906 8.959 11.330 29 2HG GLN 4 2HG GLN 4 -9.926 10.031 12.716 30 1HE2 GLN 4 1HE2 GLN 4 -7.888 7.714 10.969 31 2HE2 GLN 4 2HE2 GLN 4 -6.368 8.497 11.243 32 H ALA 5 H ALA 5 -11.966 8.503 10.798 33 HA ALA 5 HA ALA 5 -12.826 6.252 9.454 34 1HB ALA 5 1HB ALA 5 -11.528 8.576 8.032 35 2HB ALA 5 2HB ALA 5 -13.003 7.675 7.608 36 3HB ALA 5 3HB ALA 5 -13.022 8.827 8.966 37 H GLN 6 H GLN 6 -11.800 4.511 8.602 38 HA GLN 6 HA GLN 6 -8.907 4.729 8.394 39 1HB GLN 6 1HB GLN 6 -10.564 2.787 9.589 40 2HB GLN 6 2HB GLN 6 -10.007 2.023 8.113 41 1HG GLN 6 1HG GLN 6 -8.055 1.572 9.177 42 2HG GLN 6 2HG GLN 6 -7.699 3.287 9.120 43 1HE2 GLN 6 1HE2 GLN 6 -8.309 0.611 11.061 44 2HE2 GLN 6 2HE2 GLN 6 -8.481 1.384 12.602 45 H GLN 7 H GLN 7 -10.666 5.875 6.369 46 HA GLN 7 HA GLN 7 -9.952 4.095 4.173 47 1HB GLN 7 1HB GLN 7 -12.573 4.894 4.935 48 2HB GLN 7 2HB GLN 7 -12.198 5.828 3.501 49 1HG GLN 7 1HG GLN 7 -12.203 3.984 2.135 50 2HG GLN 7 2HG GLN 7 -11.362 2.987 3.306 51 1HE2 GLN 7 1HE2 GLN 7 -12.609 2.299 5.227 52 2HE2 GLN 7 2HE2 GLN 7 -14.273 1.859 5.030 53 H PHE 8 H PHE 8 -8.325 5.041 3.027 54 HA PHE 8 HA PHE 8 -8.292 7.969 2.944 55 1HB PHE 8 1HB PHE 8 -5.867 7.604 2.460 56 2HB PHE 8 2HB PHE 8 -6.313 6.722 3.907 57 HD1 PHE 8 1HD PHE 8 -6.083 6.200 0.216 58 HD2 PHE 8 2HD PHE 8 -5.655 4.518 4.089 59 HE1 PHE 8 1HE PHE 8 -5.199 4.083 -0.801 60 HE2 PHE 8 2HE PHE 8 -4.771 2.400 3.071 61 HZ PHE 8 HZ PHE 8 -4.554 2.208 0.638 62 H ILE 9 H ILE 9 -8.182 9.077 0.968 63 HA ILE 9 HA ILE 9 -9.018 7.500 -1.310 64 HB ILE 9 HB ILE 9 -8.717 10.486 -0.967 65 1HG1 ILE 9 1HG1 ILE 9 -10.348 9.422 0.600 66 2HG1 ILE 9 2HG1 ILE 9 -11.052 10.584 -0.506 67 1HG2 ILE 9 1HG2 ILE 9 -10.414 10.398 -2.926 68 2HG2 ILE 9 2HG2 ILE 9 -8.683 10.158 -3.262 69 3HG2 ILE 9 3HG2 ILE 9 -9.777 8.756 -3.186 70 1HD1 ILE 9 1HD1 ILE 9 -12.536 8.706 -0.529 71 2HD1 ILE 9 2HD1 ILE 9 -11.609 8.586 -2.044 72 3HD1 ILE 9 3HD1 ILE 9 -11.189 7.549 -0.659 73 H PHE 10 H PHE 10 -7.447 6.476 -2.438 74 HA PHE 10 HA PHE 10 -5.371 8.060 -3.585 75 1HB PHE 10 1HB PHE 10 -4.593 7.383 -1.201 76 2HB PHE 10 2HB PHE 10 -4.703 5.711 -1.714 77 HD1 PHE 10 1HD PHE 10 -2.567 4.858 -1.880 78 HD2 PHE 10 2HD PHE 10 -3.329 8.741 -3.413 79 HE1 PHE 10 1HE PHE 10 -0.218 4.972 -2.757 80 HE2 PHE 10 2HE PHE 10 -0.980 8.855 -4.291 81 HZ PHE 10 HZ PHE 10 0.547 6.969 -3.952 82 H LYS 11 H LYS 11 -4.237 6.912 -5.303 83 HA LYS 11 HA LYS 11 -5.502 4.345 -5.963 84 1HB LYS 11 1HB LYS 11 -4.997 6.735 -7.745 85 2HB LYS 11 2HB LYS 11 -5.247 5.124 -8.386 86 1HG LYS 11 1HG LYS 11 -7.490 5.127 -7.889 87 2HG LYS 11 2HG LYS 11 -7.253 5.914 -6.342 88 1HD LYS 11 1HD LYS 11 -6.985 7.404 -8.989 89 2HD LYS 11 2HD LYS 11 -8.511 7.271 -8.139 90 1HE LYS 11 1HE LYS 11 -7.527 8.365 -6.138 91 2HE LYS 11 2HE LYS 11 -5.960 8.433 -6.920 92 1HZ LYS 11 1HZ LYS 11 -8.383 9.905 -7.609 93 2HZ LYS 11 2HZ LYS 11 -6.882 10.482 -7.323 94 3HZ LYS 11 3HZ LYS 11 -7.204 9.698 -8.720 95 H VAL 12 H VAL 12 -4.134 2.709 -6.607 96 HA VAL 12 HA VAL 12 -1.338 3.458 -7.050 97 HB VAL 12 HB VAL 12 -2.195 2.460 -4.674 98 1HG1 VAL 12 1HG1 VAL 12 -2.925 0.339 -5.685 99 2HG1 VAL 12 2HG1 VAL 12 -1.278 0.063 -6.300 100 3HG1 VAL 12 3HG1 VAL 12 -1.580 0.091 -4.546 101 1HG2 VAL 12 1HG2 VAL 12 0.429 2.297 -6.138 102 2HG2 VAL 12 2HG2 VAL 12 -0.041 3.320 -4.760 103 3HG2 VAL 12 3HG2 VAL 12 0.265 1.583 -4.516 104 H THR 13 H THR 13 -0.367 2.360 -8.729 105 HA THR 13 HA THR 13 -1.994 1.021 -10.561 106 HB THR 13 HB THR 13 0.250 0.530 -11.634 107 HG1 THR 13 1HG THR 13 2.081 1.024 -10.328 108 1HG2 THR 13 1HG2 THR 13 -0.860 3.079 -11.140 109 2HG2 THR 13 2HG2 THR 13 0.837 3.237 -10.625 110 3HG2 THR 13 3HG2 THR 13 0.455 2.718 -12.285 111 H ASP 14 H ASP 14 -1.320 -1.253 -11.460 112 HA ASP 14 HA ASP 14 -1.986 -3.026 -9.372 113 1HB ASP 14 1HB ASP 14 -1.791 -3.048 -12.295 114 2HB ASP 14 2HB ASP 14 -1.108 -4.518 -11.629 115 H LYS 15 H LYS 15 0.952 -1.901 -10.991 116 HA LYS 15 HA LYS 15 2.598 -4.113 -10.446 117 1HB LYS 15 1HB LYS 15 2.812 -1.812 -11.913 118 2HB LYS 15 2HB LYS 15 3.860 -1.444 -10.557 119 1HG LYS 15 1HG LYS 15 4.983 -3.714 -10.915 120 2HG LYS 15 2HG LYS 15 4.036 -3.887 -12.380 121 1HD LYS 15 1HD LYS 15 5.178 -1.292 -12.551 122 2HD LYS 15 2HD LYS 15 6.461 -2.308 -11.924 123 1HE LYS 15 1HE LYS 15 6.277 -3.848 -13.804 124 2HE LYS 15 2HE LYS 15 4.797 -3.092 -14.359 125 1HZ LYS 15 1HZ LYS 15 6.975 -2.442 -15.451 126 2HZ LYS 15 2HZ LYS 15 5.940 -1.240 -15.062 127 3HZ LYS 15 3HZ LYS 15 7.249 -1.525 -14.128 128 H ALA 16 H ALA 16 1.897 -1.047 -8.663 129 HA ALA 16 HA ALA 16 3.710 -1.474 -6.597 130 1HB ALA 16 1HB ALA 16 1.754 -0.035 -5.402 131 2HB ALA 16 2HB ALA 16 2.903 0.669 -6.565 132 3HB ALA 16 3HB ALA 16 1.278 0.181 -7.104 133 H VAL 17 H VAL 17 0.127 -2.118 -6.675 134 HA VAL 17 HA VAL 17 0.017 -3.406 -4.236 135 HB VAL 17 HB VAL 17 -1.627 -3.195 -6.679 136 1HG1 VAL 17 1HG1 VAL 17 -3.261 -4.910 -5.782 137 2HG1 VAL 17 2HG1 VAL 17 -1.776 -5.570 -6.509 138 3HG1 VAL 17 3HG1 VAL 17 -1.946 -5.502 -4.739 139 1HG2 VAL 17 1HG2 VAL 17 -1.628 -2.220 -4.015 140 2HG2 VAL 17 2HG2 VAL 17 -2.791 -1.870 -5.316 141 3HG2 VAL 17 3HG2 VAL 17 -3.086 -3.225 -4.199 142 H GLU 18 H GLU 18 0.564 -4.750 -7.555 143 HA GLU 18 HA GLU 18 0.596 -7.379 -6.897 144 1HB GLU 18 1HB GLU 18 2.014 -5.736 -8.995 145 2HB GLU 18 2HB GLU 18 2.422 -7.434 -8.843 146 1HG GLU 18 1HG GLU 18 0.153 -8.129 -9.285 147 2HG GLU 18 2HG GLU 18 -0.471 -6.508 -9.053 148 H GLU 19 H GLU 19 3.380 -5.049 -6.857 149 HA GLU 19 HA GLU 19 5.366 -6.719 -6.193 150 1HB GLU 19 1HB GLU 19 5.811 -4.386 -6.586 151 2HB GLU 19 2HB GLU 19 4.793 -3.886 -5.250 152 1HG GLU 19 1HG GLU 19 6.513 -4.075 -3.781 153 2HG GLU 19 2HG GLU 19 6.815 -5.731 -4.267 154 H ILE 20 H ILE 20 3.012 -5.171 -3.911 155 HA ILE 20 HA ILE 20 4.129 -6.368 -1.617 156 HB ILE 20 HB ILE 20 1.575 -4.953 -2.279 157 1HG1 ILE 20 1HG1 ILE 20 2.423 -3.251 -0.848 158 2HG1 ILE 20 2HG1 ILE 20 3.666 -4.300 -0.196 159 1HG2 ILE 20 1HG2 ILE 20 0.780 -6.612 -0.771 160 2HG2 ILE 20 2HG2 ILE 20 2.192 -6.418 0.295 161 3HG2 ILE 20 3HG2 ILE 20 0.990 -5.112 0.164 162 1HD1 ILE 20 1HD1 ILE 20 4.547 -2.686 -1.906 163 2HD1 ILE 20 2HD1 ILE 20 4.818 -4.384 -2.363 164 3HD1 ILE 20 3HD1 ILE 20 3.505 -3.456 -3.126 165 H LYS 21 H LYS 21 1.511 -7.285 -3.909 166 HA LYS 21 HA LYS 21 0.553 -9.455 -2.453 167 1HB LYS 21 1HB LYS 21 0.467 -8.588 -5.321 168 2HB LYS 21 2HB LYS 21 -0.052 -10.212 -4.920 169 1HG LYS 21 1HG LYS 21 -1.697 -9.354 -3.307 170 2HG LYS 21 2HG LYS 21 -1.101 -7.718 -3.505 171 1HD LYS 21 1HD LYS 21 -2.687 -7.472 -5.117 172 2HD LYS 21 2HD LYS 21 -1.665 -8.467 -6.135 173 1HE LYS 21 1HE LYS 21 -3.279 -10.099 -4.285 174 2HE LYS 21 2HE LYS 21 -4.283 -9.078 -5.295 175 1HZ LYS 21 1HZ LYS 21 -3.921 -10.979 -6.529 176 2HZ LYS 21 2HZ LYS 21 -2.853 -9.927 -7.176 177 3HZ LYS 21 3HZ LYS 21 -2.337 -11.086 -6.147 178 H LYS 22 H LYS 22 3.225 -9.163 -4.861 179 HA LYS 22 HA LYS 22 3.792 -11.948 -4.787 180 1HB LYS 22 1HB LYS 22 4.553 -9.678 -6.328 181 2HB LYS 22 2HB LYS 22 6.024 -10.384 -5.690 182 1HG LYS 22 1HG LYS 22 5.008 -12.681 -6.452 183 2HG LYS 22 2HG LYS 22 3.896 -11.717 -7.403 184 1HD LYS 22 1HD LYS 22 5.578 -11.945 -8.977 185 2HD LYS 22 2HD LYS 22 6.165 -10.497 -8.183 186 1HE LYS 22 1HE LYS 22 7.398 -12.217 -6.570 187 2HE LYS 22 2HE LYS 22 7.149 -13.347 -7.886 188 1HZ LYS 22 1HZ LYS 22 9.220 -12.242 -8.152 189 2HZ LYS 22 2HZ LYS 22 8.229 -11.735 -9.347 190 3HZ LYS 22 3HZ LYS 22 8.533 -10.763 -8.071 191 H VAL 23 H VAL 23 5.229 -8.988 -3.278 192 HA VAL 23 HA VAL 23 7.352 -10.170 -2.017 193 HB VAL 23 HB VAL 23 5.598 -7.813 -1.497 194 1HG1 VAL 23 1HG1 VAL 23 7.394 -9.103 0.514 195 2HG1 VAL 23 2HG1 VAL 23 7.424 -7.328 0.386 196 3HG1 VAL 23 3HG1 VAL 23 5.897 -8.169 0.745 197 1HG2 VAL 23 1HG2 VAL 23 7.518 -7.909 -3.178 198 2HG2 VAL 23 2HG2 VAL 23 7.537 -6.557 -2.020 199 3HG2 VAL 23 3HG2 VAL 23 8.609 -7.956 -1.773 200 H ALA 24 H ALA 24 4.003 -9.677 -0.686 201 HA ALA 24 HA ALA 24 4.478 -11.071 1.680 202 1HB ALA 24 1HB ALA 24 2.407 -9.619 0.498 203 2HB ALA 24 2HB ALA 24 1.736 -11.259 0.664 204 3HB ALA 24 3HB ALA 24 2.364 -10.405 2.094 205 H GLN 25 H GLN 25 3.290 -12.124 -1.561 206 HA GLN 25 HA GLN 25 2.595 -14.677 -0.863 207 1HB GLN 25 1HB GLN 25 3.258 -13.213 -3.345 208 2HB GLN 25 2HB GLN 25 3.596 -14.929 -3.452 209 1HG GLN 25 1HG GLN 25 1.147 -15.043 -2.253 210 2HG GLN 25 2HG GLN 25 0.966 -13.526 -3.111 211 1HE2 GLN 25 1HE2 GLN 25 -0.357 -14.058 -4.715 212 2HE2 GLN 25 2HE2 GLN 25 -0.055 -15.249 -5.935 213 H GLU 26 H GLU 26 5.795 -13.230 -1.514 214 HA GLU 26 HA GLU 26 7.085 -15.754 -1.639 215 1HB GLU 26 1HB GLU 26 7.734 -13.203 -2.452 216 2HB GLU 26 2HB GLU 26 8.714 -13.344 -1.006 217 1HG GLU 26 1HG GLU 26 9.634 -15.526 -1.877 218 2HG GLU 26 2HG GLU 26 8.700 -15.311 -3.344 219 H ASN 27 H ASN 27 5.671 -14.018 0.876 220 HA ASN 27 HA ASN 27 7.601 -15.101 2.775 221 1HB ASN 27 1HB ASN 27 6.020 -12.560 2.682 222 2HB ASN 27 2HB ASN 27 6.056 -13.338 4.252 223 1HD2 ASN 27 1HD2 ASN 27 7.686 -11.391 2.038 224 2HD2 ASN 27 2HD2 ASN 27 9.236 -11.295 2.804 225 H ASN 28 H ASN 28 4.867 -15.956 1.265 226 HA ASN 28 HA ASN 28 3.192 -17.266 1.688 227 1HB ASN 28 1HB ASN 28 4.952 -18.446 3.186 228 2HB ASN 28 2HB ASN 28 4.215 -17.625 4.548 229 1HD2 ASN 28 1HD2 ASN 28 4.342 -20.372 4.347 230 2HD2 ASN 28 2HD2 ASN 28 2.754 -21.040 4.170 231 H ILE 29 H ILE 29 3.039 -14.370 2.244 232 HA ILE 29 HA ILE 29 1.262 -14.261 4.562 233 HB ILE 29 HB ILE 29 2.740 -12.164 2.985 234 1HG1 ILE 29 1HG1 ILE 29 2.865 -12.929 5.917 235 2HG1 ILE 29 2HG1 ILE 29 3.989 -13.486 4.693 236 1HG2 ILE 29 1HG2 ILE 29 0.630 -11.771 5.122 237 2HG2 ILE 29 2HG2 ILE 29 1.744 -10.508 4.548 238 3HG2 ILE 29 3HG2 ILE 29 0.566 -11.233 3.427 239 1HD1 ILE 29 1HD1 ILE 29 3.743 -10.612 4.459 240 2HD1 ILE 29 2HD1 ILE 29 4.071 -11.032 6.157 241 3HD1 ILE 29 3HD1 ILE 29 5.182 -11.574 4.876 242 H GLU 30 H GLU 30 -0.891 -13.494 4.390 243 HA GLU 30 HA GLU 30 -1.831 -13.322 1.635 244 1HB GLU 30 1HB GLU 30 -2.497 -15.304 3.609 245 2HB GLU 30 2HB GLU 30 -3.925 -14.322 3.350 246 1HG GLU 30 1HG GLU 30 -3.925 -14.768 0.973 247 2HG GLU 30 2HG GLU 30 -2.305 -15.433 1.022 248 H ASN 31 H ASN 31 -1.179 -11.540 4.254 249 HA ASN 31 HA ASN 31 -3.347 -9.748 3.672 250 1HB ASN 31 1HB ASN 31 -3.405 -9.394 6.350 251 2HB ASN 31 2HB ASN 31 -4.452 -10.557 5.561 252 1HD2 ASN 31 1HD2 ASN 31 -2.298 -10.085 8.004 253 2HD2 ASN 31 2HD2 ASN 31 -1.803 -11.711 8.336 254 HA PRO 32 HA PRO 32 0.821 -7.964 4.465 255 1HB PRO 32 1HB PRO 32 1.264 -6.853 2.008 256 2HB PRO 32 2HB PRO 32 1.863 -8.434 2.467 257 1HG PRO 32 1HG PRO 32 -0.400 -7.754 0.691 258 2HG PRO 32 2HG PRO 32 0.471 -9.268 0.827 259 1HD PRO 32 1HD PRO 32 -2.126 -8.682 1.893 260 2HD PRO 32 2HD PRO 32 -1.205 -10.154 2.127 261 H ILE 33 H ILE 33 1.565 -5.735 4.675 262 HA ILE 33 HA ILE 33 -0.730 -3.923 4.412 263 HB ILE 33 HB ILE 33 0.960 -4.545 6.784 264 1HG1 ILE 33 1HG1 ILE 33 -1.723 -3.499 7.209 265 2HG1 ILE 33 2HG1 ILE 33 -1.734 -4.838 6.079 266 1HG2 ILE 33 1HG2 ILE 33 0.280 -2.309 7.757 267 2HG2 ILE 33 2HG2 ILE 33 1.580 -2.275 6.542 268 3HG2 ILE 33 3HG2 ILE 33 -0.073 -1.790 6.091 269 1HD1 ILE 33 1HD1 ILE 33 -0.026 -5.153 8.530 270 2HD1 ILE 33 2HD1 ILE 33 -1.791 -5.218 8.746 271 3HD1 ILE 33 3HD1 ILE 33 -0.986 -6.368 7.652 272 H LEU 34 H LEU 34 -0.247 -2.424 2.908 273 HA LEU 34 HA LEU 34 2.561 -1.818 2.450 274 1HB LEU 34 1HB LEU 34 1.251 -2.420 0.530 275 2HB LEU 34 2HB LEU 34 0.038 -1.214 0.908 276 HG LEU 34 HG LEU 34 1.864 0.541 0.587 277 1HD1 LEU 34 1HD1 LEU 34 3.384 -1.224 -1.195 278 2HD1 LEU 34 2HD1 LEU 34 3.942 0.017 -0.047 279 3HD1 LEU 34 3HD1 LEU 34 3.556 -1.622 0.531 280 1HD2 LEU 34 1HD2 LEU 34 0.312 -0.957 -1.361 281 2HD2 LEU 34 2HD2 LEU 34 0.604 0.794 -1.228 282 3HD2 LEU 34 3HD2 LEU 34 1.773 -0.241 -2.083 283 H ARG 35 H ARG 35 3.481 -0.191 3.566 284 HA ARG 35 HA ARG 35 1.691 1.940 4.410 285 1HB ARG 35 1HB ARG 35 2.859 0.699 6.247 286 2HB ARG 35 2HB ARG 35 4.411 1.102 5.540 287 1HG ARG 35 1HG ARG 35 3.232 3.605 5.727 288 2HG ARG 35 2HG ARG 35 2.559 2.802 7.132 289 1HD ARG 35 1HD ARG 35 5.547 2.853 6.488 290 2HD ARG 35 2HD ARG 35 4.767 4.004 7.554 291 HE ARG 35 HE ARG 35 3.991 1.505 8.541 292 1HH1 ARG 35 2HH2 ARG 35 7.055 3.127 7.939 293 2HH1 ARG 35 1HH2 ARG 35 7.892 2.290 9.204 294 1HH2 ARG 35 2HH1 ARG 35 5.095 0.401 10.209 295 2HH2 ARG 35 1HH1 ARG 35 6.770 0.729 10.504 296 H ILE 36 H ILE 36 1.905 3.850 3.286 297 HA ILE 36 HA ILE 36 4.317 4.223 1.707 298 HB ILE 36 HB ILE 36 1.526 5.249 1.656 299 1HG1 ILE 36 1HG1 ILE 36 2.605 4.979 -0.918 300 2HG1 ILE 36 2HG1 ILE 36 3.311 3.661 -0.003 301 1HG2 ILE 36 1HG2 ILE 36 2.568 7.354 1.703 302 2HG2 ILE 36 2HG2 ILE 36 3.930 6.803 0.699 303 3HG2 ILE 36 3HG2 ILE 36 2.315 7.002 -0.024 304 1HD1 ILE 36 1HD1 ILE 36 1.089 3.094 -1.067 305 2HD1 ILE 36 2HD1 ILE 36 1.113 2.867 0.698 306 3HD1 ILE 36 3HD1 ILE 36 0.327 4.301 -0.004 307 H ARG 37 H ARG 37 6.011 5.227 2.640 308 HA ARG 37 HA ARG 37 5.339 7.309 4.562 309 1HB ARG 37 1HB ARG 37 7.489 6.824 5.681 310 2HB ARG 37 2HB ARG 37 6.537 5.357 5.567 311 1HG ARG 37 1HG ARG 37 8.143 4.331 4.335 312 2HG ARG 37 2HG ARG 37 8.143 5.631 3.160 313 1HD ARG 37 1HD ARG 37 10.306 5.910 3.929 314 2HD ARG 37 2HD ARG 37 9.503 6.899 5.132 315 HE ARG 37 HE ARG 37 9.653 4.062 5.866 316 1HH1 ARG 37 2HH2 ARG 37 11.300 7.169 5.976 317 2HH1 ARG 37 1HH2 ARG 37 12.280 6.746 7.341 318 1HH2 ARG 37 2HH1 ARG 37 10.945 3.503 7.666 319 2HH2 ARG 37 1HH1 ARG 37 12.076 4.646 8.308 320 H VAL 38 H VAL 38 6.834 9.215 4.594 321 HA VAL 38 HA VAL 38 7.660 9.858 1.901 322 HB VAL 38 HB VAL 38 7.564 11.452 4.470 323 1HG1 VAL 38 1HG1 VAL 38 8.462 12.152 1.691 324 2HG1 VAL 38 2HG1 VAL 38 7.639 13.383 2.680 325 3HG1 VAL 38 3HG1 VAL 38 9.143 12.631 3.264 326 1HG2 VAL 38 1HG2 VAL 38 5.425 10.564 3.115 327 2HG2 VAL 38 2HG2 VAL 38 5.470 12.158 3.906 328 3HG2 VAL 38 3HG2 VAL 38 5.771 12.024 2.157 329 H VAL 39 H VAL 39 9.749 9.984 1.165 330 HA VAL 39 HA VAL 39 11.827 9.445 3.174 331 HB VAL 39 HB VAL 39 11.592 8.550 0.296 332 1HG1 VAL 39 1HG1 VAL 39 13.835 8.605 0.265 333 2HG1 VAL 39 2HG1 VAL 39 13.941 8.884 2.020 334 3HG1 VAL 39 3HG1 VAL 39 13.763 7.228 1.391 335 1HG2 VAL 39 1HG2 VAL 39 10.869 6.570 1.059 336 2HG2 VAL 39 2HG2 VAL 39 12.087 6.529 2.357 337 3HG2 VAL 39 3HG2 VAL 39 10.556 7.406 2.599 338 HA PRO 40 HA PRO 40 12.743 13.484 1.469 339 1HB PRO 40 1HB PRO 40 13.527 14.652 3.811 340 2HB PRO 40 2HB PRO 40 11.884 14.724 3.208 341 1HG PRO 40 1HG PRO 40 12.979 13.089 5.414 342 2HG PRO 40 2HG PRO 40 11.309 13.496 5.074 343 1HD PRO 40 1HD PRO 40 12.601 10.988 4.561 344 2HD PRO 40 2HD PRO 40 10.966 11.434 4.116 345 H GLY 41 H GLY 41 14.317 11.519 0.747 346 1HA GLY 41 1HA GLY 41 16.892 11.714 2.002 347 2HA GLY 41 2HA GLY 41 16.468 10.826 0.552 348 H GLY 42 H GLY 42 16.437 11.917 -1.534 349 1HA GLY 42 1HA GLY 42 18.486 13.847 -1.821 350 2HA GLY 42 2HA GLY 42 17.391 13.269 -3.061 351 H CYS 43 H CYS 43 18.390 16.064 -2.331 352 HA CYS 43 HA CYS 43 16.287 17.489 -1.180 353 1HB CYS 43 1HB CYS 43 18.865 18.061 -2.138 354 2HB CYS 43 2HB CYS 43 17.800 19.055 -3.111 355 HG CYS 43 HG CYS 43 18.587 20.507 -1.125 356 H SER 44 H SER 44 17.008 16.307 -4.473 357 HA SER 44 HA SER 44 14.648 17.703 -5.435 358 1HB SER 44 1HB SER 44 15.733 17.925 -7.412 359 2HB SER 44 2HB SER 44 17.174 17.414 -6.555 360 HG SER 44 HG SER 44 16.768 15.230 -7.193 361 H GLY 45 H GLY 45 16.134 14.506 -4.872 362 1HA GLY 45 1HA GLY 45 13.755 13.177 -5.992 363 2HA GLY 45 2HA GLY 45 15.316 12.441 -5.686 364 H PHE 46 H PHE 46 12.227 12.366 -4.628 365 HA PHE 46 HA PHE 46 12.911 11.156 -2.182 366 1HB PHE 46 1HB PHE 46 11.763 12.864 -0.723 367 2HB PHE 46 2HB PHE 46 13.159 13.561 -1.520 368 HD1 PHE 46 1HD PHE 46 9.756 14.007 -0.804 369 HD2 PHE 46 2HD PHE 46 12.643 14.745 -3.825 370 HE1 PHE 46 1HE PHE 46 8.310 15.833 -1.741 371 HE2 PHE 46 2HE PHE 46 11.197 16.570 -4.762 372 HZ PHE 46 HZ PHE 46 9.048 17.092 -3.709 373 H GLN 47 H GLN 47 11.647 9.545 -3.394 374 HA GLN 47 HA GLN 47 8.836 10.220 -3.610 375 1HB GLN 47 1HB GLN 47 10.403 7.822 -4.659 376 2HB GLN 47 2HB GLN 47 8.689 8.080 -4.919 377 1HG GLN 47 1HG GLN 47 10.341 10.436 -5.634 378 2HG GLN 47 2HG GLN 47 10.738 9.009 -6.570 379 1HE2 GLN 47 1HE2 GLN 47 9.907 10.391 -8.307 380 2HE2 GLN 47 2HE2 GLN 47 8.215 10.370 -8.675 381 H TYR 48 H TYR 48 7.374 8.090 -3.142 382 HA TYR 48 HA TYR 48 7.993 7.421 -0.375 383 1HB TYR 48 1HB TYR 48 5.567 6.984 -2.229 384 2HB TYR 48 2HB TYR 48 5.555 6.680 -0.503 385 HD1 TYR 48 1HD TYR 48 5.082 8.418 1.040 386 HD2 TYR 48 2HD TYR 48 5.915 9.381 -3.045 387 HE1 TYR 48 1HE TYR 48 4.352 10.818 1.449 388 HE2 TYR 48 2HE TYR 48 5.182 11.778 -2.622 389 HH TYR 48 HH TYR 48 4.702 12.985 0.532 390 H ALA 49 H ALA 49 8.958 5.521 0.116 391 HA ALA 49 HA ALA 49 9.105 3.470 -1.900 392 1HB ALA 49 1HB ALA 49 10.163 2.617 0.614 393 2HB ALA 49 2HB ALA 49 11.054 3.137 -0.837 394 3HB ALA 49 3HB ALA 49 10.599 4.330 0.403 395 H MET 50 H MET 50 8.523 1.178 -1.401 396 HA MET 50 HA MET 50 6.072 1.169 0.175 397 1HB MET 50 1HB MET 50 6.997 -0.779 -2.008 398 2HB MET 50 2HB MET 50 5.405 -0.739 -1.278 399 1HG MET 50 1HG MET 50 6.071 1.909 -2.304 400 2HG MET 50 2HG MET 50 6.302 0.717 -3.567 401 1HE MET 50 1HE MET 50 3.039 -1.338 -3.201 402 2HE MET 50 2HE MET 50 3.793 -0.699 -4.682 403 3HE MET 50 3HE MET 50 4.809 -1.383 -3.390 404 H GLY 51 H GLY 51 5.562 -1.292 0.918 405 1HA GLY 51 1HA GLY 51 7.690 -3.002 1.551 406 2HA GLY 51 2HA GLY 51 7.453 -1.911 2.902 407 H PHE 52 H PHE 52 6.932 -4.193 3.866 408 HA PHE 52 HA PHE 52 4.029 -4.483 3.723 409 1HB PHE 52 1HB PHE 52 4.691 -7.052 4.017 410 2HB PHE 52 2HB PHE 52 4.732 -6.352 2.411 411 HD1 PHE 52 1HD PHE 52 6.527 -8.260 4.713 412 HD2 PHE 52 2HD PHE 52 7.074 -5.243 1.779 413 HE1 PHE 52 1HE PHE 52 8.940 -8.915 4.489 414 HE2 PHE 52 2HE PHE 52 9.487 -5.898 1.555 415 HZ PHE 52 HZ PHE 52 10.391 -7.726 2.913 416 H ASP 53 H ASP 53 3.146 -4.366 5.732 417 HA ASP 53 HA ASP 53 4.956 -4.951 7.941 418 1HB ASP 53 1HB ASP 53 3.960 -2.570 7.620 419 2HB ASP 53 2HB ASP 53 2.418 -3.270 8.071 420 H ASP 54 H ASP 54 3.445 -5.509 10.043 421 HA ASP 54 HA ASP 54 1.188 -7.103 9.180 422 1HB ASP 54 1HB ASP 54 3.562 -8.081 10.824 423 2HB ASP 54 2HB ASP 54 2.020 -8.914 10.830 424 H THR 55 H THR 55 1.090 -4.576 10.428 425 HA THR 55 HA THR 55 -0.292 -5.181 12.837 426 HB THR 55 HB THR 55 2.057 -5.309 13.681 427 HG1 THR 55 1HG THR 55 0.275 -4.282 14.924 428 1HG2 THR 55 1HG2 THR 55 2.236 -2.351 12.929 429 2HG2 THR 55 2HG2 THR 55 3.512 -3.369 13.641 430 3HG2 THR 55 3HG2 THR 55 3.001 -3.630 11.955 431 H VAL 56 H VAL 56 -1.489 -3.370 13.654 432 HA VAL 56 HA VAL 56 -1.839 -1.369 11.563 433 HB VAL 56 HB VAL 56 -3.515 -2.679 13.605 434 1HG1 VAL 56 1HG1 VAL 56 -3.688 -0.514 14.573 435 2HG1 VAL 56 2HG1 VAL 56 -3.797 0.272 12.980 436 3HG1 VAL 56 3HG1 VAL 56 -5.145 -0.729 13.573 437 1HG2 VAL 56 1HG2 VAL 56 -3.943 -3.269 11.364 438 2HG2 VAL 56 2HG2 VAL 56 -5.255 -2.144 11.793 439 3HG2 VAL 56 3HG2 VAL 56 -3.881 -1.577 10.813 440 H GLU 57 H GLU 57 -2.060 0.925 12.151 441 HA GLU 57 HA GLU 57 -0.240 1.519 14.329 442 1HB GLU 57 1HB GLU 57 -1.231 3.569 12.338 443 2HB GLU 57 2HB GLU 57 0.291 3.527 13.205 444 1HG GLU 57 1HG GLU 57 -0.516 1.542 11.026 445 2HG GLU 57 2HG GLU 57 0.523 2.929 10.770 446 H GLU 58 H GLU 58 -0.771 3.786 15.435 447 HA GLU 58 HA GLU 58 -3.356 3.422 16.567 448 1HB GLU 58 1HB GLU 58 -0.984 4.286 17.580 449 2HB GLU 58 2HB GLU 58 -1.720 5.840 17.240 450 1HG GLU 58 1HG GLU 58 -2.514 5.441 19.405 451 2HG GLU 58 2HG GLU 58 -3.841 4.815 18.448 452 H GLY 59 H GLY 59 -3.750 3.952 13.885 453 1HA GLY 59 1HA GLY 59 -5.658 5.509 13.381 454 2HA GLY 59 2HA GLY 59 -4.551 6.798 13.813 455 H ASP 60 H ASP 60 -4.669 3.844 11.692 456 HA ASP 60 HA ASP 60 -3.339 5.480 9.678 457 1HB ASP 60 1HB ASP 60 -2.452 3.043 10.874 458 2HB ASP 60 2HB ASP 60 -2.982 2.613 9.260 459 H HIS 61 H HIS 61 -4.542 5.621 7.764 460 HA HIS 61 HA HIS 61 -7.067 4.427 7.622 461 1HB HIS 61 1HB HIS 61 -5.372 5.824 5.537 462 2HB HIS 61 2HB HIS 61 -7.031 5.329 5.269 463 HD1 HIS 61 1HD HIS 61 -8.899 6.549 6.758 464 HD2 HIS 61 2HD HIS 61 -5.046 8.195 6.956 465 HE1 HIS 61 1HE HIS 61 -9.166 8.871 7.780 466 H VAL 62 H VAL 62 -7.307 2.237 7.516 467 HA VAL 62 HA VAL 62 -5.429 0.731 5.885 468 HB VAL 62 HB VAL 62 -6.500 0.271 8.322 469 1HG1 VAL 62 1HG1 VAL 62 -8.168 -1.432 6.444 470 2HG1 VAL 62 2HG1 VAL 62 -8.211 -1.419 8.223 471 3HG1 VAL 62 3HG1 VAL 62 -8.777 -0.001 7.309 472 1HG2 VAL 62 1HG2 VAL 62 -4.673 -0.928 6.815 473 2HG2 VAL 62 2HG2 VAL 62 -5.363 -1.724 8.250 474 3HG2 VAL 62 3HG2 VAL 62 -5.964 -2.139 6.626 475 H PHE 63 H PHE 63 -5.893 -0.019 3.869 476 HA PHE 63 HA PHE 63 -8.693 0.241 3.021 477 1HB PHE 63 1HB PHE 63 -6.142 1.274 2.031 478 2HB PHE 63 2HB PHE 63 -6.780 0.164 0.834 479 HD1 PHE 63 1HD PHE 63 -7.599 1.458 -0.899 480 HD2 PHE 63 2HD PHE 63 -8.541 2.559 3.089 481 HE1 PHE 63 1HE PHE 63 -9.124 3.259 -1.756 482 HE2 PHE 63 2HE PHE 63 -10.065 4.360 2.233 483 HZ PHE 63 HZ PHE 63 -10.338 4.688 -0.180 484 H GLU 64 H GLU 64 -9.666 -1.527 2.065 485 HA GLU 64 HA GLU 64 -8.075 -3.932 2.092 486 1HB GLU 64 1HB GLU 64 -11.044 -3.741 1.475 487 2HB GLU 64 2HB GLU 64 -10.156 -5.126 2.080 488 1HG GLU 64 1HG GLU 64 -9.785 -4.039 4.239 489 2HG GLU 64 2HG GLU 64 -10.423 -2.519 3.644 490 H TYR 65 H TYR 65 -6.915 -4.323 0.247 491 HA TYR 65 HA TYR 65 -8.114 -3.534 -2.302 492 1HB TYR 65 1HB TYR 65 -5.480 -3.672 -1.019 493 2HB TYR 65 2HB TYR 65 -5.450 -4.701 -2.438 494 HD1 TYR 65 1HD TYR 65 -5.720 -1.247 -1.222 495 HD2 TYR 65 2HD TYR 65 -5.685 -3.753 -4.690 496 HE1 TYR 65 1HE TYR 65 -5.343 0.789 -2.698 497 HE2 TYR 65 2HE TYR 65 -5.308 -1.709 -6.154 498 HH TYR 65 HH TYR 65 -5.255 1.540 -4.735 499 H ASP 66 H ASP 66 -6.549 -5.353 -3.911 500 HA ASP 66 HA ASP 66 -8.322 -7.498 -3.918 501 1HB ASP 66 1HB ASP 66 -6.936 -6.525 -5.861 502 2HB ASP 66 2HB ASP 66 -5.562 -7.401 -5.216 503 H GLY 67 H GLY 67 -7.899 -8.061 -1.499 504 1HA GLY 67 1HA GLY 67 -7.178 -9.643 -0.056 505 2HA GLY 67 2HA GLY 67 -6.233 -10.370 -1.340 506 H VAL 68 H VAL 68 -5.972 -6.931 -0.342 507 HA VAL 68 HA VAL 68 -3.561 -7.501 1.160 508 HB VAL 68 HB VAL 68 -3.624 -5.987 -1.447 509 1HG1 VAL 68 1HG1 VAL 68 -2.500 -4.495 0.039 510 2HG1 VAL 68 2HG1 VAL 68 -1.584 -5.824 0.790 511 3HG1 VAL 68 3HG1 VAL 68 -1.241 -5.343 -0.890 512 1HG2 VAL 68 1HG2 VAL 68 -1.392 -7.467 -1.545 513 2HG2 VAL 68 2HG2 VAL 68 -2.336 -8.475 -0.422 514 3HG2 VAL 68 3HG2 VAL 68 -2.983 -8.096 -2.037 515 H LYS 69 H LYS 69 -2.811 -5.559 2.363 516 HA LYS 69 HA LYS 69 -5.010 -3.633 2.668 517 1HB LYS 69 1HB LYS 69 -3.664 -5.354 4.628 518 2HB LYS 69 2HB LYS 69 -3.681 -3.666 5.095 519 1HG LYS 69 1HG LYS 69 -6.107 -3.543 4.868 520 2HG LYS 69 2HG LYS 69 -6.176 -5.126 4.120 521 1HD LYS 69 1HD LYS 69 -4.955 -5.861 6.412 522 2HD LYS 69 2HD LYS 69 -5.727 -4.407 7.013 523 1HE LYS 69 1HE LYS 69 -7.887 -5.401 5.807 524 2HE LYS 69 2HE LYS 69 -7.015 -6.918 5.913 525 1HZ LYS 69 1HZ LYS 69 -8.223 -5.390 7.989 526 2HZ LYS 69 2HZ LYS 69 -7.853 -6.981 7.949 527 3HZ LYS 69 3HZ LYS 69 -6.713 -5.887 8.366 528 H VAL 70 H VAL 70 -4.453 -1.440 2.906 529 HA VAL 70 HA VAL 70 -1.592 -0.862 2.619 530 HB VAL 70 HB VAL 70 -3.907 0.064 0.944 531 1HG1 VAL 70 1HG1 VAL 70 -2.565 1.893 0.060 532 2HG1 VAL 70 2HG1 VAL 70 -2.788 2.095 1.814 533 3HG1 VAL 70 3HG1 VAL 70 -1.238 1.494 1.177 534 1HG2 VAL 70 1HG2 VAL 70 -1.293 -0.346 -0.311 535 2HG2 VAL 70 2HG2 VAL 70 -1.885 -1.790 0.544 536 3HG2 VAL 70 3HG2 VAL 70 -2.883 -1.034 -0.721 537 H VAL 71 H VAL 71 -0.916 1.158 3.553 538 HA VAL 71 HA VAL 71 -2.940 2.621 5.036 539 HB VAL 71 HB VAL 71 -2.086 2.257 7.134 540 1HG1 VAL 71 1HG1 VAL 71 -1.519 -0.402 5.781 541 2HG1 VAL 71 2HG1 VAL 71 -1.937 -0.137 7.491 542 3HG1 VAL 71 3HG1 VAL 71 -3.137 0.196 6.219 543 1HG2 VAL 71 1HG2 VAL 71 0.137 1.323 7.636 544 2HG2 VAL 71 2HG2 VAL 71 0.469 1.179 5.894 545 3HG2 VAL 71 3HG2 VAL 71 0.251 2.785 6.628 546 H ILE 72 H ILE 72 -2.213 4.763 5.654 547 HA ILE 72 HA ILE 72 0.413 5.533 4.691 548 HB ILE 72 HB ILE 72 -2.059 6.936 3.684 549 1HG1 ILE 72 1HG1 ILE 72 -0.344 4.877 2.265 550 2HG1 ILE 72 2HG1 ILE 72 -2.015 4.677 2.753 551 1HG2 ILE 72 1HG2 ILE 72 -0.596 8.178 2.298 552 2HG2 ILE 72 2HG2 ILE 72 0.113 8.209 3.930 553 3HG2 ILE 72 3HG2 ILE 72 0.788 7.129 2.687 554 1HD1 ILE 72 1HD1 ILE 72 -2.591 6.705 1.307 555 2HD1 ILE 72 2HD1 ILE 72 -0.923 6.635 0.688 556 3HD1 ILE 72 3HD1 ILE 72 -2.033 5.271 0.412 557 H ASP 73 H ASP 73 1.334 6.734 6.258 558 HA ASP 73 HA ASP 73 0.300 7.326 8.595 559 1HB ASP 73 1HB ASP 73 2.079 9.252 7.028 560 2HB ASP 73 2HB ASP 73 1.941 9.187 8.774 561 HA PRO 74 HA PRO 74 -2.561 10.610 8.082 562 1HB PRO 74 1HB PRO 74 -2.378 11.972 10.445 563 2HB PRO 74 2HB PRO 74 -3.273 10.476 10.268 564 1HG PRO 74 1HG PRO 74 -0.647 10.924 11.549 565 2HG PRO 74 2HG PRO 74 -1.737 9.564 11.727 566 1HD PRO 74 1HD PRO 74 0.676 9.637 10.178 567 2HD PRO 74 2HD PRO 74 -0.475 8.318 10.265 568 H PHE 75 H PHE 75 0.720 11.368 8.607 569 HA PHE 75 HA PHE 75 0.291 14.153 7.964 570 1HB PHE 75 1HB PHE 75 2.363 12.335 9.067 571 2HB PHE 75 2HB PHE 75 3.053 13.430 7.886 572 HD1 PHE 75 1HD PHE 75 1.538 13.150 11.186 573 HD2 PHE 75 2HD PHE 75 3.053 15.850 8.284 574 HE1 PHE 75 1HE PHE 75 1.645 14.957 12.924 575 HE2 PHE 75 2HE PHE 75 3.161 17.657 10.023 576 HZ PHE 75 HZ PHE 75 2.456 17.189 12.322 577 H SER 76 H SER 76 1.279 11.109 6.417 578 HA SER 76 HA SER 76 2.252 12.533 4.117 579 1HB SER 76 1HB SER 76 2.753 10.250 3.240 580 2HB SER 76 2HB SER 76 3.470 10.534 4.814 581 HG SER 76 HG SER 76 2.522 8.613 5.189 582 H MET 77 H MET 77 -0.704 11.202 5.362 583 HA MET 77 HA MET 77 -1.921 10.292 3.082 584 1HB MET 77 1HB MET 77 -2.598 10.844 5.786 585 2HB MET 77 2HB MET 77 -3.723 11.820 4.862 586 1HG MET 77 1HG MET 77 -3.283 8.931 4.060 587 2HG MET 77 2HG MET 77 -4.304 9.285 5.440 588 1HE MET 77 1HE MET 77 -4.265 10.573 1.294 589 2HE MET 77 2HE MET 77 -3.619 9.082 2.021 590 3HE MET 77 3HE MET 77 -5.232 9.079 1.268 591 HA PRO 78 HA PRO 78 -3.330 14.770 2.364 592 1HB PRO 78 1HB PRO 78 -2.151 16.803 3.758 593 2HB PRO 78 2HB PRO 78 -3.673 16.073 4.230 594 1HG PRO 78 1HG PRO 78 -0.996 15.721 5.433 595 2HG PRO 78 2HG PRO 78 -2.565 15.357 6.122 596 1HD PRO 78 1HD PRO 78 -0.688 13.477 5.040 597 2HD PRO 78 2HD PRO 78 -2.304 13.128 5.622 598 H TYR 79 H TYR 79 -0.366 13.473 2.324 599 HA TYR 79 HA TYR 79 0.658 15.567 0.537 600 1HB TYR 79 1HB TYR 79 1.765 13.358 2.333 601 2HB TYR 79 2HB TYR 79 2.750 13.897 0.988 602 HD1 TYR 79 1HD TYR 79 0.795 15.364 3.841 603 HD2 TYR 79 2HD TYR 79 4.285 15.594 1.377 604 HE1 TYR 79 1HE TYR 79 1.668 17.295 5.245 605 HE2 TYR 79 2HE TYR 79 5.146 17.524 2.789 606 HH TYR 79 HH TYR 79 4.079 18.202 5.755 607 H VAL 80 H VAL 80 -0.641 12.327 0.709 608 HA VAL 80 HA VAL 80 -0.027 12.019 -2.134 609 HB VAL 80 HB VAL 80 0.411 9.626 -1.757 610 1HG1 VAL 80 1HG1 VAL 80 2.296 11.368 -0.138 611 2HG1 VAL 80 2HG1 VAL 80 2.685 9.865 -1.009 612 3HG1 VAL 80 3HG1 VAL 80 2.244 11.331 -1.917 613 1HG2 VAL 80 1HG2 VAL 80 1.151 9.612 0.988 614 2HG2 VAL 80 2HG2 VAL 80 -0.514 10.234 0.892 615 3HG2 VAL 80 3HG2 VAL 80 -0.112 8.654 0.179 616 H ASN 81 H ASN 81 -2.367 13.147 -1.246 617 HA ASN 81 HA ASN 81 -4.240 10.945 -1.062 618 1HB ASN 81 1HB ASN 81 -4.224 13.190 0.396 619 2HB ASN 81 2HB ASN 81 -5.029 13.877 -1.001 620 1HD2 ASN 81 1HD2 ASN 81 -5.631 12.754 1.904 621 2HD2 ASN 81 2HD2 ASN 81 -7.173 11.989 1.717 622 H GLY 82 H GLY 82 -5.841 10.622 -2.721 623 1HA GLY 82 1HA GLY 82 -6.604 10.609 -4.839 624 2HA GLY 82 2HA GLY 82 -6.653 12.353 -4.675 625 H ALA 83 H ALA 83 -4.110 9.778 -5.100 626 HA ALA 83 HA ALA 83 -3.235 11.073 -7.523 627 1HB ALA 83 1HB ALA 83 -0.939 10.657 -5.754 628 2HB ALA 83 2HB ALA 83 -1.379 12.078 -6.731 629 3HB ALA 83 3HB ALA 83 -2.073 11.867 -5.106 630 H GLU 84 H GLU 84 -1.624 9.705 -8.682 631 HA GLU 84 HA GLU 84 -2.075 6.937 -7.932 632 1HB GLU 84 1HB GLU 84 -1.424 6.443 -10.303 633 2HB GLU 84 2HB GLU 84 -2.823 7.491 -10.178 634 1HG GLU 84 1HG GLU 84 -1.765 9.156 -11.300 635 2HG GLU 84 2HG GLU 84 -0.408 9.115 -10.191 636 H LEU 85 H LEU 85 -0.381 5.542 -7.433 637 HA LEU 85 HA LEU 85 2.307 6.714 -7.620 638 1HB LEU 85 1HB LEU 85 2.153 6.748 -5.389 639 2HB LEU 85 2HB LEU 85 0.837 5.592 -5.342 640 HG LEU 85 HG LEU 85 2.445 3.742 -5.653 641 1HD1 LEU 85 1HD1 LEU 85 4.165 4.947 -6.908 642 2HD1 LEU 85 2HD1 LEU 85 4.572 5.892 -5.456 643 3HD1 LEU 85 3HD1 LEU 85 4.850 4.134 -5.481 644 1HD2 LEU 85 1HD2 LEU 85 2.922 5.614 -3.325 645 2HD2 LEU 85 2HD2 LEU 85 1.803 4.232 -3.414 646 3HD2 LEU 85 3HD2 LEU 85 3.562 3.955 -3.410 647 H ASP 86 H ASP 86 3.287 5.714 -9.306 648 HA ASP 86 HA ASP 86 2.641 2.930 -9.736 649 1HB ASP 86 1HB ASP 86 2.947 5.001 -11.494 650 2HB ASP 86 2HB ASP 86 4.587 4.385 -11.497 651 H TYR 87 H TYR 87 3.935 1.668 -8.339 652 HA TYR 87 HA TYR 87 6.654 2.479 -7.798 653 1HB TYR 87 1HB TYR 87 5.017 1.475 -6.117 654 2HB TYR 87 2HB TYR 87 4.916 0.029 -7.101 655 HD1 TYR 87 1HD TYR 87 8.148 1.725 -6.682 656 HD2 TYR 87 2HD TYR 87 5.599 -1.384 -5.218 657 HE1 TYR 87 1HE TYR 87 10.101 0.715 -5.405 658 HE2 TYR 87 2HE TYR 87 7.560 -2.383 -3.946 659 HH TYR 87 HH TYR 87 10.694 -1.620 -4.579 660 H VAL 88 H VAL 88 8.219 2.061 -9.281 661 HA VAL 88 HA VAL 88 7.889 0.011 -11.223 662 HB VAL 88 HB VAL 88 10.267 1.716 -10.456 663 1HG1 VAL 88 1HG1 VAL 88 10.761 -0.426 -11.738 664 2HG1 VAL 88 2HG1 VAL 88 9.823 0.271 -13.081 665 3HG1 VAL 88 3HG1 VAL 88 11.295 1.090 -12.504 666 1HG2 VAL 88 1HG2 VAL 88 8.102 2.859 -11.236 667 2HG2 VAL 88 2HG2 VAL 88 9.602 3.257 -12.108 668 3HG2 VAL 88 3HG2 VAL 88 8.432 2.123 -12.823 669 H VAL 89 H VAL 89 9.068 -1.959 -11.443 670 HA VAL 89 HA VAL 89 10.430 -2.808 -8.985 671 HB VAL 89 HB VAL 89 8.620 -4.553 -10.654 672 1HG1 VAL 89 1HG1 VAL 89 8.714 -5.617 -8.135 673 2HG1 VAL 89 2HG1 VAL 89 9.755 -6.116 -9.490 674 3HG1 VAL 89 3HG1 VAL 89 10.352 -4.939 -8.295 675 1HG2 VAL 89 1HG2 VAL 89 7.973 -2.674 -8.427 676 2HG2 VAL 89 2HG2 VAL 89 6.985 -3.197 -9.812 677 3HG2 VAL 89 3HG2 VAL 89 7.191 -4.273 -8.410 678 H ASP 90 H ASP 90 12.514 -3.298 -9.412 679 HA ASP 90 HA ASP 90 13.133 -4.905 -11.647 680 1HB ASP 90 1HB ASP 90 14.142 -2.022 -11.576 681 2HB ASP 90 2HB ASP 90 14.794 -3.259 -12.632 682 H PHE 91 H PHE 91 15.895 -4.608 -11.778 683 HA PHE 91 HA PHE 91 17.625 -5.461 -10.630 684 1HB PHE 91 1HB PHE 91 17.357 -2.763 -10.458 685 2HB PHE 91 2HB PHE 91 17.177 -3.107 -8.749 686 HD1 PHE 91 1HD PHE 91 19.107 -2.593 -7.613 687 HD2 PHE 91 2HD PHE 91 19.432 -4.457 -11.411 688 HE1 PHE 91 1HE PHE 91 21.604 -2.665 -7.364 689 HE2 PHE 91 2HE PHE 91 21.929 -4.529 -11.162 690 HZ PHE 91 HZ PHE 91 22.985 -3.632 -9.142 691 H MET 92 H MET 92 18.051 -4.468 -7.682 692 HA MET 92 HA MET 92 16.782 -6.800 -6.561 693 1HB MET 92 1HB MET 92 19.218 -5.277 -6.144 694 2HB MET 92 2HB MET 92 18.326 -5.269 -4.636 695 1HG MET 92 1HG MET 92 18.931 -7.807 -6.229 696 2HG MET 92 2HG MET 92 19.921 -7.234 -4.901 697 1HE MET 92 1HE MET 92 16.795 -8.829 -6.138 698 2HE MET 92 2HE MET 92 17.815 -10.061 -5.357 699 3HE MET 92 3HE MET 92 16.203 -9.693 -4.699 700 H GLY 93 H GLY 93 15.389 -4.104 -7.269 701 1HA GLY 93 1HA GLY 93 13.718 -4.040 -4.933 702 2HA GLY 93 2HA GLY 93 14.705 -2.602 -5.099 703 H GLY 94 H GLY 94 14.232 -1.053 -6.690 704 1HA GLY 94 1HA GLY 94 12.899 -1.340 -9.041 705 2HA GLY 94 2HA GLY 94 11.609 -1.232 -7.860 706 H GLY 95 H GLY 95 10.935 0.827 -8.769 707 1HA GLY 95 1HA GLY 95 12.553 3.055 -7.742 708 2HA GLY 95 2HA GLY 95 12.091 3.047 -9.433 709 H PHE 96 H PHE 96 11.196 4.095 -6.350 710 HA PHE 96 HA PHE 96 8.371 3.818 -6.613 711 1HB PHE 96 1HB PHE 96 9.898 5.864 -4.929 712 2HB PHE 96 2HB PHE 96 8.411 5.037 -4.511 713 HD1 PHE 96 1HD PHE 96 11.822 5.173 -3.871 714 HD2 PHE 96 2HD PHE 96 8.683 2.367 -4.403 715 HE1 PHE 96 1HE PHE 96 13.135 3.461 -2.588 716 HE2 PHE 96 2HE PHE 96 9.996 0.656 -3.119 717 HZ PHE 96 HZ PHE 96 12.206 1.223 -2.227 718 H THR 97 H THR 97 7.041 5.037 -7.862 719 HA THR 97 HA THR 97 7.878 7.801 -8.416 720 HB THR 97 HB THR 97 6.985 5.607 -10.341 721 HG1 THR 97 1HG THR 97 9.264 5.924 -10.038 722 1HG2 THR 97 1HG2 THR 97 7.124 7.519 -12.068 723 2HG2 THR 97 2HG2 THR 97 5.663 7.519 -11.052 724 3HG2 THR 97 3HG2 THR 97 6.995 8.645 -10.695 725 H ILE 98 H ILE 98 6.388 9.299 -7.951 726 HA ILE 98 HA ILE 98 3.616 8.356 -7.742 727 HB ILE 98 HB ILE 98 4.918 8.681 -5.544 728 1HG1 ILE 98 1HG1 ILE 98 2.446 10.325 -5.460 729 2HG1 ILE 98 2HG1 ILE 98 2.284 8.733 -6.175 730 1HG2 ILE 98 1HG2 ILE 98 5.297 10.813 -4.715 731 2HG2 ILE 98 2HG2 ILE 98 5.803 10.956 -6.415 732 3HG2 ILE 98 3HG2 ILE 98 4.218 11.583 -5.902 733 1HD1 ILE 98 1HD1 ILE 98 1.870 8.462 -3.820 734 2HD1 ILE 98 2HD1 ILE 98 3.496 7.800 -4.113 735 3HD1 ILE 98 3HD1 ILE 98 3.310 9.415 -3.389 736 H ARG 99 H ARG 99 2.253 9.455 -9.045 737 HA ARG 99 HA ARG 99 3.287 11.936 -10.131 738 1HB ARG 99 1HB ARG 99 2.341 9.807 -11.494 739 2HB ARG 99 2HB ARG 99 0.802 10.594 -11.208 740 1HG ARG 99 1HG ARG 99 2.875 12.494 -12.110 741 2HG ARG 99 2HG ARG 99 2.613 11.202 -13.265 742 1HD ARG 99 1HD ARG 99 0.006 11.831 -12.606 743 2HD ARG 99 2HD ARG 99 0.771 13.397 -12.426 744 HE ARG 99 HE ARG 99 1.752 12.409 -14.853 745 1HH1 ARG 99 2HH2 ARG 99 -1.430 13.093 -13.515 746 2HH1 ARG 99 1HH2 ARG 99 -2.140 13.450 -15.054 747 1HH2 ARG 99 2HH1 ARG 99 0.815 12.881 -16.883 748 2HH2 ARG 99 1HH1 ARG 99 -0.855 13.329 -16.982 749 H ASN 100 H ASN 100 2.263 13.895 -9.688 750 HA ASN 100 HA ASN 100 -0.299 13.676 -8.313 751 1HB ASN 100 1HB ASN 100 2.170 15.311 -7.704 752 2HB ASN 100 2HB ASN 100 0.617 16.047 -7.363 753 1HD2 ASN 100 1HD2 ASN 100 0.290 15.932 -5.275 754 2HD2 ASN 100 2HD2 ASN 100 0.446 14.531 -4.268 755 HA PRO 101 HA PRO 101 -1.573 16.517 -11.406 756 1HB PRO 101 1HB PRO 101 -3.851 17.528 -10.284 757 2HB PRO 101 2HB PRO 101 -3.791 15.979 -11.102 758 1HG PRO 101 1HG PRO 101 -3.922 16.539 -8.203 759 2HG PRO 101 2HG PRO 101 -4.285 15.049 -9.051 760 1HD PRO 101 1HD PRO 101 -1.915 15.633 -7.544 761 2HD PRO 101 2HD PRO 101 -2.229 14.189 -8.487 Start of MODEL 16 1 H MET 1 H MET 1 -12.124 8.431 23.738 2 HA MET 1 HA MET 1 -14.692 7.371 23.338 3 1HB MET 1 1HB MET 1 -15.415 9.562 24.315 4 2HB MET 1 2HB MET 1 -14.079 8.889 25.228 5 1HG MET 1 1HG MET 1 -12.599 10.331 23.522 6 2HG MET 1 2HG MET 1 -14.082 11.244 23.330 7 1HE MET 1 1HE MET 1 -12.688 9.411 26.704 8 2HE MET 1 2HE MET 1 -11.394 9.899 25.582 9 3HE MET 1 3HE MET 1 -11.587 10.740 27.139 10 H GLN 2 H GLN 2 -13.790 7.229 20.813 11 HA GLN 2 HA GLN 2 -15.622 8.697 19.390 12 1HB GLN 2 1HB GLN 2 -13.206 10.187 19.922 13 2HB GLN 2 2HB GLN 2 -13.260 9.826 18.208 14 1HG GLN 2 1HG GLN 2 -15.650 10.695 18.163 15 2HG GLN 2 2HG GLN 2 -15.462 11.176 19.838 16 1HE2 GLN 2 1HE2 GLN 2 -15.078 12.044 16.624 17 2HE2 GLN 2 2HE2 GLN 2 -14.123 13.479 16.802 18 H GLU 3 H GLU 3 -14.918 8.615 16.845 19 HA GLU 3 HA GLU 3 -13.848 5.927 16.548 20 1HB GLU 3 1HB GLU 3 -15.085 5.834 14.435 21 2HB GLU 3 2HB GLU 3 -16.166 6.311 15.729 22 1HG GLU 3 1HG GLU 3 -16.534 8.383 14.827 23 2HG GLU 3 2HG GLU 3 -14.842 8.623 14.442 24 H GLN 4 H GLN 4 -12.453 5.488 14.614 25 HA GLN 4 HA GLN 4 -11.014 7.901 13.831 26 1HB GLN 4 1HB GLN 4 -9.997 5.314 14.952 27 2HB GLN 4 2HB GLN 4 -9.051 6.033 13.665 28 1HG GLN 4 1HG GLN 4 -8.092 7.145 15.454 29 2HG GLN 4 2HG GLN 4 -9.398 8.266 15.124 30 1HE2 GLN 4 1HE2 GLN 4 -9.196 8.909 17.323 31 2HE2 GLN 4 2HE2 GLN 4 -9.950 8.012 18.598 32 H ALA 5 H ALA 5 -11.673 8.217 11.729 33 HA ALA 5 HA ALA 5 -12.588 6.253 10.025 34 1HB ALA 5 1HB ALA 5 -13.100 8.447 9.421 35 2HB ALA 5 2HB ALA 5 -11.438 9.022 9.697 36 3HB ALA 5 3HB ALA 5 -11.815 8.045 8.257 37 H GLN 6 H GLN 6 -11.643 4.719 8.739 38 HA GLN 6 HA GLN 6 -8.739 4.890 8.519 39 1HB GLN 6 1HB GLN 6 -10.171 2.942 9.936 40 2HB GLN 6 2HB GLN 6 -9.825 2.153 8.410 41 1HG GLN 6 1HG GLN 6 -7.701 1.782 9.103 42 2HG GLN 6 2HG GLN 6 -7.424 3.512 9.137 43 1HE2 GLN 6 1HE2 GLN 6 -7.264 0.782 10.900 44 2HE2 GLN 6 2HE2 GLN 6 -7.410 1.394 12.514 45 H GLN 7 H GLN 7 -10.635 5.987 6.649 46 HA GLN 7 HA GLN 7 -10.200 4.131 4.441 47 1HB GLN 7 1HB GLN 7 -12.689 5.198 5.415 48 2HB GLN 7 2HB GLN 7 -12.388 5.909 3.842 49 1HG GLN 7 1HG GLN 7 -11.906 3.556 2.964 50 2HG GLN 7 2HG GLN 7 -12.438 2.931 4.513 51 1HE2 GLN 7 1HE2 GLN 7 -13.477 5.304 2.063 52 2HE2 GLN 7 2HE2 GLN 7 -15.151 4.863 2.027 53 H PHE 8 H PHE 8 -8.459 5.001 3.368 54 HA PHE 8 HA PHE 8 -8.607 7.881 2.811 55 1HB PHE 8 1HB PHE 8 -6.206 7.915 3.086 56 2HB PHE 8 2HB PHE 8 -6.757 6.883 4.390 57 HD1 PHE 8 1HD PHE 8 -6.354 4.482 4.334 58 HD2 PHE 8 2HD PHE 8 -5.007 6.988 1.185 59 HE1 PHE 8 1HE PHE 8 -4.859 2.642 3.510 60 HE2 PHE 8 2HE PHE 8 -3.512 5.148 0.361 61 HZ PHE 8 HZ PHE 8 -3.455 2.997 1.533 62 H ILE 9 H ILE 9 -8.766 8.412 0.683 63 HA ILE 9 HA ILE 9 -8.710 6.330 -1.261 64 HB ILE 9 HB ILE 9 -8.986 9.324 -1.548 65 1HG1 ILE 9 1HG1 ILE 9 -10.687 7.895 -0.137 66 2HG1 ILE 9 2HG1 ILE 9 -11.245 9.131 -1.247 67 1HG2 ILE 9 1HG2 ILE 9 -9.480 7.071 -3.510 68 2HG2 ILE 9 2HG2 ILE 9 -10.040 8.745 -3.734 69 3HG2 ILE 9 3HG2 ILE 9 -8.297 8.394 -3.648 70 1HD1 ILE 9 1HD1 ILE 9 -10.877 6.285 -2.223 71 2HD1 ILE 9 2HD1 ILE 9 -12.351 6.755 -1.343 72 3HD1 ILE 9 3HD1 ILE 9 -11.933 7.561 -2.874 73 H PHE 10 H PHE 10 -7.134 5.802 -2.745 74 HA PHE 10 HA PHE 10 -4.909 7.553 -3.152 75 1HB PHE 10 1HB PHE 10 -4.519 6.245 -0.936 76 2HB PHE 10 2HB PHE 10 -4.536 4.774 -1.888 77 HD1 PHE 10 1HD PHE 10 -2.437 3.899 -2.195 78 HD2 PHE 10 2HD PHE 10 -2.891 8.118 -2.236 79 HE1 PHE 10 1HE PHE 10 0.020 4.159 -2.640 80 HE2 PHE 10 2HE PHE 10 -0.434 8.378 -2.681 81 HZ PHE 10 HZ PHE 10 0.992 6.395 -2.877 82 H LYS 11 H LYS 11 -4.226 7.293 -5.235 83 HA LYS 11 HA LYS 11 -5.236 4.959 -6.648 84 1HB LYS 11 1HB LYS 11 -4.017 7.546 -7.658 85 2HB LYS 11 2HB LYS 11 -4.627 6.255 -8.673 86 1HG LYS 11 1HG LYS 11 -6.359 7.579 -6.544 87 2HG LYS 11 2HG LYS 11 -6.237 8.226 -8.168 88 1HD LYS 11 1HD LYS 11 -7.337 6.395 -9.140 89 2HD LYS 11 2HD LYS 11 -6.849 5.287 -7.872 90 1HE LYS 11 1HE LYS 11 -8.439 6.307 -6.292 91 2HE LYS 11 2HE LYS 11 -8.843 7.562 -7.445 92 1HZ LYS 11 1HZ LYS 11 -10.490 5.984 -7.679 93 2HZ LYS 11 2HZ LYS 11 -9.504 5.651 -8.937 94 3HZ LYS 11 3HZ LYS 11 -9.468 4.712 -7.602 95 H VAL 12 H VAL 12 -3.973 3.192 -6.798 96 HA VAL 12 HA VAL 12 -1.098 3.654 -7.136 97 HB VAL 12 HB VAL 12 -2.245 2.715 -4.814 98 1HG1 VAL 12 1HG1 VAL 12 -1.612 0.326 -4.676 99 2HG1 VAL 12 2HG1 VAL 12 -2.917 0.614 -5.852 100 3HG1 VAL 12 3HG1 VAL 12 -1.253 0.335 -6.420 101 1HG2 VAL 12 1HG2 VAL 12 0.011 2.209 -4.128 102 2HG2 VAL 12 2HG2 VAL 12 0.538 2.040 -5.819 103 3HG2 VAL 12 3HG2 VAL 12 0.050 3.634 -5.194 104 H THR 13 H THR 13 -0.316 2.672 -8.933 105 HA THR 13 HA THR 13 -2.010 1.291 -10.672 106 HB THR 13 HB THR 13 0.277 0.768 -11.778 107 HG1 THR 13 1HG THR 13 1.800 0.896 -10.157 108 1HG2 THR 13 1HG2 THR 13 0.694 3.048 -12.418 109 2HG2 THR 13 2HG2 THR 13 -1.053 2.994 -12.083 110 3HG2 THR 13 3HG2 THR 13 0.064 3.674 -10.876 111 H ASP 14 H ASP 14 -2.057 -0.909 -11.369 112 HA ASP 14 HA ASP 14 -2.324 -2.679 -9.329 113 1HB ASP 14 1HB ASP 14 -2.174 -2.778 -12.281 114 2HB ASP 14 2HB ASP 14 -1.638 -4.272 -11.537 115 H LYS 15 H LYS 15 0.539 -1.651 -11.157 116 HA LYS 15 HA LYS 15 2.179 -3.868 -10.632 117 1HB LYS 15 1HB LYS 15 2.341 -1.557 -12.137 118 2HB LYS 15 2HB LYS 15 3.526 -1.268 -10.880 119 1HG LYS 15 1HG LYS 15 4.252 -3.785 -11.409 120 2HG LYS 15 2HG LYS 15 3.447 -3.484 -12.936 121 1HD LYS 15 1HD LYS 15 4.869 -1.332 -13.110 122 2HD LYS 15 2HD LYS 15 5.794 -1.940 -11.751 123 1HE LYS 15 1HE LYS 15 6.792 -3.622 -12.995 124 2HE LYS 15 2HE LYS 15 5.373 -3.884 -13.988 125 1HZ LYS 15 1HZ LYS 15 5.981 -2.254 -15.405 126 2HZ LYS 15 2HZ LYS 15 6.754 -1.356 -14.281 127 3HZ LYS 15 3HZ LYS 15 7.475 -2.683 -14.903 128 H ALA 16 H ALA 16 1.417 -0.859 -8.827 129 HA ALA 16 HA ALA 16 3.410 -1.219 -6.869 130 1HB ALA 16 1HB ALA 16 2.249 0.923 -7.392 131 2HB ALA 16 2HB ALA 16 0.747 0.250 -6.713 132 3HB ALA 16 3HB ALA 16 2.162 0.506 -5.664 133 H VAL 17 H VAL 17 -0.178 -1.833 -6.800 134 HA VAL 17 HA VAL 17 -0.225 -3.040 -4.320 135 HB VAL 17 HB VAL 17 -1.937 -2.804 -6.678 136 1HG1 VAL 17 1HG1 VAL 17 -1.874 -5.257 -6.566 137 2HG1 VAL 17 2HG1 VAL 17 -2.329 -5.195 -4.846 138 3HG1 VAL 17 3HG1 VAL 17 -3.470 -4.629 -6.090 139 1HG2 VAL 17 1HG2 VAL 17 -1.898 -1.855 -4.093 140 2HG2 VAL 17 2HG2 VAL 17 -3.287 -1.775 -5.204 141 3HG2 VAL 17 3HG2 VAL 17 -3.166 -3.102 -4.023 142 H GLU 18 H GLU 18 0.292 -4.478 -7.600 143 HA GLU 18 HA GLU 18 0.362 -7.094 -6.781 144 1HB GLU 18 1HB GLU 18 1.571 -5.577 -9.098 145 2HB GLU 18 2HB GLU 18 1.983 -7.266 -8.879 146 1HG GLU 18 1HG GLU 18 -0.411 -7.896 -8.927 147 2HG GLU 18 2HG GLU 18 -0.880 -6.211 -9.027 148 H GLU 19 H GLU 19 2.927 -4.574 -6.820 149 HA GLU 19 HA GLU 19 5.121 -6.077 -6.431 150 1HB GLU 19 1HB GLU 19 5.029 -3.577 -6.650 151 2HB GLU 19 2HB GLU 19 4.475 -3.466 -4.992 152 1HG GLU 19 1HG GLU 19 6.919 -3.093 -5.121 153 2HG GLU 19 2HG GLU 19 6.563 -4.531 -4.186 154 H ILE 20 H ILE 20 2.493 -5.390 -4.129 155 HA ILE 20 HA ILE 20 3.944 -6.375 -1.871 156 HB ILE 20 HB ILE 20 1.049 -5.670 -2.337 157 1HG1 ILE 20 1HG1 ILE 20 1.673 -3.766 -0.788 158 2HG1 ILE 20 2HG1 ILE 20 3.349 -4.242 -0.980 159 1HG2 ILE 20 1HG2 ILE 20 0.456 -6.350 -0.279 160 2HG2 ILE 20 2HG2 ILE 20 1.849 -7.445 -0.442 161 3HG2 ILE 20 3HG2 ILE 20 2.025 -5.908 0.439 162 1HD1 ILE 20 1HD1 ILE 20 2.340 -2.413 -2.582 163 2HD1 ILE 20 2HD1 ILE 20 3.401 -3.667 -3.265 164 3HD1 ILE 20 3HD1 ILE 20 1.635 -3.805 -3.439 165 H LYS 21 H LYS 21 1.495 -7.634 -4.193 166 HA LYS 21 HA LYS 21 0.928 -10.014 -2.955 167 1HB LYS 21 1HB LYS 21 1.157 -9.411 -5.919 168 2HB LYS 21 2HB LYS 21 0.376 -10.824 -5.238 169 1HG LYS 21 1HG LYS 21 -1.204 -9.345 -3.979 170 2HG LYS 21 2HG LYS 21 -0.422 -7.931 -4.658 171 1HD LYS 21 1HD LYS 21 -1.348 -8.247 -6.765 172 2HD LYS 21 2HD LYS 21 -1.344 -9.994 -6.629 173 1HE LYS 21 1HE LYS 21 -3.203 -9.669 -4.817 174 2HE LYS 21 2HE LYS 21 -3.334 -8.031 -5.426 175 1HZ LYS 21 1HZ LYS 21 -4.564 -10.174 -6.465 176 2HZ LYS 21 2HZ LYS 21 -4.349 -8.753 -7.240 177 3HZ LYS 21 3HZ LYS 21 -3.308 -9.986 -7.492 178 H LYS 22 H LYS 22 3.782 -9.056 -4.903 179 HA LYS 22 HA LYS 22 4.835 -11.713 -4.923 180 1HB LYS 22 1HB LYS 22 5.355 -9.215 -6.225 181 2HB LYS 22 2HB LYS 22 6.842 -9.762 -5.479 182 1HG LYS 22 1HG LYS 22 6.398 -12.067 -6.524 183 2HG LYS 22 2HG LYS 22 5.085 -11.328 -7.420 184 1HD LYS 22 1HD LYS 22 7.237 -9.568 -7.848 185 2HD LYS 22 2HD LYS 22 7.993 -11.149 -7.877 186 1HE LYS 22 1HE LYS 22 5.763 -11.658 -9.402 187 2HE LYS 22 2HE LYS 22 6.003 -9.961 -9.768 188 1HZ LYS 22 1HZ LYS 22 8.392 -10.617 -10.162 189 2HZ LYS 22 2HZ LYS 22 7.876 -12.167 -10.183 190 3HZ LYS 22 3HZ LYS 22 7.304 -11.101 -11.279 191 H VAL 23 H VAL 23 5.493 -8.644 -3.121 192 HA VAL 23 HA VAL 23 7.617 -9.613 -1.622 193 HB VAL 23 HB VAL 23 5.675 -7.384 -1.497 194 1HG1 VAL 23 1HG1 VAL 23 7.318 -8.168 0.936 195 2HG1 VAL 23 2HG1 VAL 23 6.395 -6.659 0.736 196 3HG1 VAL 23 3HG1 VAL 23 5.543 -8.220 0.810 197 1HG2 VAL 23 1HG2 VAL 23 8.063 -7.509 -2.557 198 2HG2 VAL 23 2HG2 VAL 23 7.565 -6.046 -1.672 199 3HG2 VAL 23 3HG2 VAL 23 8.619 -7.246 -0.886 200 H ALA 24 H ALA 24 4.061 -9.851 -1.165 201 HA ALA 24 HA ALA 24 4.313 -11.038 1.419 202 1HB ALA 24 1HB ALA 24 2.288 -9.876 -0.176 203 2HB ALA 24 2HB ALA 24 1.800 -11.571 0.067 204 3HB ALA 24 3HB ALA 24 2.125 -10.528 1.472 205 H GLN 25 H GLN 25 3.873 -12.170 -1.972 206 HA GLN 25 HA GLN 25 3.270 -14.762 -1.500 207 1HB GLN 25 1HB GLN 25 4.353 -13.185 -3.691 208 2HB GLN 25 2HB GLN 25 5.114 -14.763 -3.674 209 1HG GLN 25 1HG GLN 25 2.371 -15.281 -3.169 210 2HG GLN 25 2HG GLN 25 2.369 -14.041 -4.407 211 1HE2 GLN 25 1HE2 GLN 25 2.320 -17.246 -3.915 212 2HE2 GLN 25 2HE2 GLN 25 3.039 -17.844 -5.372 213 H GLU 26 H GLU 26 6.543 -13.218 -1.581 214 HA GLU 26 HA GLU 26 7.892 -15.634 -1.144 215 1HB GLU 26 1HB GLU 26 8.732 -13.299 -2.044 216 2HB GLU 26 2HB GLU 26 9.007 -12.932 -0.352 217 1HG GLU 26 1HG GLU 26 10.174 -15.388 -0.438 218 2HG GLU 26 2HG GLU 26 10.393 -14.930 -2.116 219 H ASN 27 H ASN 27 5.923 -13.699 0.883 220 HA ASN 27 HA ASN 27 7.315 -14.683 3.242 221 1HB ASN 27 1HB ASN 27 5.211 -12.474 2.943 222 2HB ASN 27 2HB ASN 27 5.914 -12.963 4.472 223 1HD2 ASN 27 1HD2 ASN 27 5.966 -10.450 2.816 224 2HD2 ASN 27 2HD2 ASN 27 7.634 -10.004 2.690 225 H ASN 28 H ASN 28 4.894 -15.503 1.108 226 HA ASN 28 HA ASN 28 3.084 -16.700 1.149 227 1HB ASN 28 1HB ASN 28 4.865 -18.020 2.775 228 2HB ASN 28 2HB ASN 28 3.543 -17.806 3.906 229 1HD2 ASN 28 1HD2 ASN 28 3.494 -20.149 3.820 230 2HD2 ASN 28 2HD2 ASN 28 2.576 -20.954 2.591 231 H ILE 29 H ILE 29 2.737 -14.034 2.105 232 HA ILE 29 HA ILE 29 0.991 -14.314 4.433 233 HB ILE 29 HB ILE 29 2.144 -11.856 3.109 234 1HG1 ILE 29 1HG1 ILE 29 2.923 -13.132 5.745 235 2HG1 ILE 29 2HG1 ILE 29 3.792 -13.389 4.244 236 1HG2 ILE 29 1HG2 ILE 29 0.105 -12.249 5.208 237 2HG2 ILE 29 2HG2 ILE 29 1.386 -11.075 5.595 238 3HG2 ILE 29 3HG2 ILE 29 0.401 -10.867 4.127 239 1HD1 ILE 29 1HD1 ILE 29 4.118 -10.897 4.041 240 2HD1 ILE 29 2HD1 ILE 29 3.339 -10.707 5.630 241 3HD1 ILE 29 3HD1 ILE 29 4.879 -11.589 5.493 242 H GLU 30 H GLU 30 -1.202 -13.665 4.372 243 HA GLU 30 HA GLU 30 -2.196 -13.397 1.642 244 1HB GLU 30 1HB GLU 30 -2.868 -15.266 3.703 245 2HB GLU 30 2HB GLU 30 -4.259 -14.218 3.504 246 1HG GLU 30 1HG GLU 30 -4.470 -14.746 1.171 247 2HG GLU 30 2HG GLU 30 -2.857 -15.426 1.091 248 H ASN 31 H ASN 31 -1.416 -11.551 4.211 249 HA ASN 31 HA ASN 31 -3.472 -9.658 3.556 250 1HB ASN 31 1HB ASN 31 -3.536 -9.219 6.222 251 2HB ASN 31 2HB ASN 31 -4.642 -10.342 5.455 252 1HD2 ASN 31 1HD2 ASN 31 -2.490 -9.925 7.909 253 2HD2 ASN 31 2HD2 ASN 31 -2.096 -11.567 8.295 254 HA PRO 32 HA PRO 32 0.789 -8.105 4.356 255 1HB PRO 32 1HB PRO 32 1.347 -7.128 1.865 256 2HB PRO 32 2HB PRO 32 1.839 -8.722 2.402 257 1HG PRO 32 1HG PRO 32 -0.344 -7.982 0.551 258 2HG PRO 32 2HG PRO 32 0.431 -9.539 0.768 259 1HD PRO 32 1HD PRO 32 -2.146 -8.752 1.752 260 2HD PRO 32 2HD PRO 32 -1.322 -10.266 2.066 261 H ILE 33 H ILE 33 0.779 -6.345 5.589 262 HA ILE 33 HA ILE 33 -0.887 -4.165 4.556 263 HB ILE 33 HB ILE 33 -0.037 -4.939 7.340 264 1HG1 ILE 33 1HG1 ILE 33 -2.863 -4.391 6.731 265 2HG1 ILE 33 2HG1 ILE 33 -2.198 -5.737 5.828 266 1HG2 ILE 33 1HG2 ILE 33 -0.688 -2.296 6.285 267 2HG2 ILE 33 2HG2 ILE 33 -1.769 -2.800 7.606 268 3HG2 ILE 33 3HG2 ILE 33 -0.007 -2.771 7.859 269 1HD1 ILE 33 1HD1 ILE 33 -1.162 -6.360 8.244 270 2HD1 ILE 33 2HD1 ILE 33 -2.582 -5.435 8.789 271 3HD1 ILE 33 3HD1 ILE 33 -2.797 -6.869 7.756 272 H LEU 34 H LEU 34 0.515 -3.107 3.153 273 HA LEU 34 HA LEU 34 3.126 -2.378 4.243 274 1HB LEU 34 1HB LEU 34 2.091 -3.049 1.628 275 2HB LEU 34 2HB LEU 34 2.885 -1.487 1.595 276 HG LEU 34 HG LEU 34 4.893 -2.578 2.674 277 1HD1 LEU 34 1HD1 LEU 34 3.413 -5.133 1.990 278 2HD1 LEU 34 2HD1 LEU 34 5.100 -5.011 2.545 279 3HD1 LEU 34 3HD1 LEU 34 3.771 -4.530 3.626 280 1HD2 LEU 34 1HD2 LEU 34 4.010 -2.578 -0.029 281 2HD2 LEU 34 2HD2 LEU 34 5.675 -2.541 0.601 282 3HD2 LEU 34 3HD2 LEU 34 4.887 -4.100 0.259 283 H ARG 35 H ARG 35 3.774 -0.217 4.496 284 HA ARG 35 HA ARG 35 1.522 1.619 4.434 285 1HB ARG 35 1HB ARG 35 2.385 1.449 6.675 286 2HB ARG 35 2HB ARG 35 4.049 1.493 6.129 287 1HG ARG 35 1HG ARG 35 3.783 3.855 5.412 288 2HG ARG 35 2HG ARG 35 2.090 3.822 5.863 289 1HD ARG 35 1HD ARG 35 2.966 4.744 7.809 290 2HD ARG 35 2HD ARG 35 3.077 3.049 8.238 291 HE ARG 35 HE ARG 35 5.480 3.555 6.929 292 1HH1 ARG 35 2HH2 ARG 35 3.817 4.976 9.685 293 2HH1 ARG 35 1HH2 ARG 35 5.278 5.465 10.477 294 1HH2 ARG 35 2HH1 ARG 35 7.407 4.199 7.973 295 2HH2 ARG 35 1HH1 ARG 35 7.334 5.019 9.497 296 H ILE 36 H ILE 36 1.840 3.781 3.554 297 HA ILE 36 HA ILE 36 4.231 3.969 1.856 298 HB ILE 36 HB ILE 36 1.439 4.092 1.228 299 1HG1 ILE 36 1HG1 ILE 36 2.744 4.509 -1.116 300 2HG1 ILE 36 2HG1 ILE 36 4.059 3.876 -0.146 301 1HG2 ILE 36 1HG2 ILE 36 2.996 6.640 0.764 302 2HG2 ILE 36 2HG2 ILE 36 1.574 6.177 -0.200 303 3HG2 ILE 36 3HG2 ILE 36 1.414 6.435 1.554 304 1HD1 ILE 36 1HD1 ILE 36 1.413 2.450 0.018 305 2HD1 ILE 36 2HD1 ILE 36 2.381 2.249 -1.462 306 3HD1 ILE 36 3HD1 ILE 36 3.064 1.791 0.117 307 H ARG 37 H ARG 37 5.664 5.364 2.730 308 HA ARG 37 HA ARG 37 4.508 7.743 3.949 309 1HB ARG 37 1HB ARG 37 5.959 5.850 5.306 310 2HB ARG 37 2HB ARG 37 7.266 6.886 4.769 311 1HG ARG 37 1HG ARG 37 5.131 8.578 5.737 312 2HG ARG 37 2HG ARG 37 5.414 7.329 6.934 313 1HD ARG 37 1HD ARG 37 7.857 8.625 5.758 314 2HD ARG 37 2HD ARG 37 6.879 9.622 6.816 315 HE ARG 37 HE ARG 37 8.471 7.285 7.593 316 1HH1 ARG 37 2HH2 ARG 37 5.786 9.376 8.489 317 2HH1 ARG 37 1HH2 ARG 37 5.888 8.999 10.177 318 1HH2 ARG 37 2HH1 ARG 37 8.606 6.787 9.819 319 2HH2 ARG 37 1HH1 ARG 37 7.503 7.516 10.938 320 H VAL 38 H VAL 38 6.354 9.577 4.060 321 HA VAL 38 HA VAL 38 7.220 9.919 1.341 322 HB VAL 38 HB VAL 38 7.773 11.742 3.671 323 1HG1 VAL 38 1HG1 VAL 38 7.202 12.305 0.741 324 2HG1 VAL 38 2HG1 VAL 38 7.648 13.496 1.986 325 3HG1 VAL 38 3HG1 VAL 38 8.818 12.253 1.484 326 1HG2 VAL 38 1HG2 VAL 38 5.170 10.916 2.646 327 2HG2 VAL 38 2HG2 VAL 38 5.578 11.894 4.076 328 3HG2 VAL 38 3HG2 VAL 38 5.429 12.670 2.481 329 H VAL 39 H VAL 39 9.206 9.456 0.536 330 HA VAL 39 HA VAL 39 11.368 9.113 2.494 331 HB VAL 39 HB VAL 39 10.505 7.337 0.224 332 1HG1 VAL 39 1HG1 VAL 39 13.264 7.691 1.377 333 2HG1 VAL 39 2HG1 VAL 39 12.727 6.093 0.805 334 3HG1 VAL 39 3HG1 VAL 39 12.762 7.476 -0.317 335 1HG2 VAL 39 1HG2 VAL 39 9.734 6.097 1.909 336 2HG2 VAL 39 2HG2 VAL 39 11.407 5.886 2.477 337 3HG2 VAL 39 3HG2 VAL 39 10.416 7.225 3.105 338 HA PRO 40 HA PRO 40 13.176 12.026 -0.194 339 1HB PRO 40 1HB PRO 40 15.520 12.374 1.168 340 2HB PRO 40 2HB PRO 40 14.043 13.230 1.567 341 1HG PRO 40 1HG PRO 40 15.313 10.967 2.982 342 2HG PRO 40 2HG PRO 40 14.107 12.093 3.572 343 1HD PRO 40 1HD PRO 40 13.664 9.385 2.738 344 2HD PRO 40 2HD PRO 40 12.443 10.547 3.218 345 H GLY 41 H GLY 41 13.462 11.089 -2.158 346 1HA GLY 41 1HA GLY 41 15.942 10.544 -3.079 347 2HA GLY 41 2HA GLY 41 15.451 9.008 -2.394 348 H GLY 42 H GLY 42 15.853 8.761 -4.982 349 1HA GLY 42 1HA GLY 42 14.339 7.625 -6.478 350 2HA GLY 42 2HA GLY 42 13.156 8.886 -6.190 351 H CYS 43 H CYS 43 13.244 8.926 -8.667 352 HA CYS 43 HA CYS 43 15.548 9.856 -9.952 353 1HB CYS 43 1HB CYS 43 12.727 9.368 -10.661 354 2HB CYS 43 2HB CYS 43 13.474 10.660 -11.578 355 HG CYS 43 HG CYS 43 13.621 8.359 -12.880 356 H SER 44 H SER 44 12.520 11.475 -8.759 357 HA SER 44 HA SER 44 13.710 14.033 -9.322 358 1HB SER 44 1HB SER 44 11.064 13.021 -9.219 359 2HB SER 44 2HB SER 44 11.176 14.126 -7.864 360 HG SER 44 HG SER 44 10.884 15.669 -9.315 361 H GLY 45 H GLY 45 12.522 12.068 -6.523 362 1HA GLY 45 1HA GLY 45 13.880 12.076 -4.529 363 2HA GLY 45 2HA GLY 45 14.145 13.794 -4.753 364 H PHE 46 H PHE 46 11.228 11.609 -4.771 365 HA PHE 46 HA PHE 46 10.190 12.658 -2.395 366 1HB PHE 46 1HB PHE 46 9.904 14.290 -4.745 367 2HB PHE 46 2HB PHE 46 8.341 13.526 -4.529 368 HD1 PHE 46 1HD PHE 46 10.194 16.338 -3.743 369 HD2 PHE 46 2HD PHE 46 7.523 13.570 -1.951 370 HE1 PHE 46 1HE PHE 46 9.605 18.039 -1.994 371 HE2 PHE 46 2HE PHE 46 6.934 15.271 -0.202 372 HZ PHE 46 HZ PHE 46 7.981 17.485 -0.245 373 H GLN 47 H GLN 47 10.620 10.078 -3.551 374 HA GLN 47 HA GLN 47 7.964 9.256 -4.357 375 1HB GLN 47 1HB GLN 47 9.014 7.149 -5.024 376 2HB GLN 47 2HB GLN 47 9.921 8.489 -5.695 377 1HG GLN 47 1HG GLN 47 11.667 7.219 -4.819 378 2HG GLN 47 2HG GLN 47 11.348 8.275 -3.457 379 1HE2 GLN 47 1HE2 GLN 47 12.606 6.004 -2.943 380 2HE2 GLN 47 2HE2 GLN 47 11.599 4.847 -2.138 381 H TYR 48 H TYR 48 7.014 7.253 -3.330 382 HA TYR 48 HA TYR 48 7.739 7.173 -0.479 383 1HB TYR 48 1HB TYR 48 5.110 6.579 -1.975 384 2HB TYR 48 2HB TYR 48 5.288 6.603 -0.232 385 HD1 TYR 48 1HD TYR 48 4.725 8.541 0.933 386 HD2 TYR 48 2HD TYR 48 5.763 8.839 -3.207 387 HE1 TYR 48 1HE TYR 48 4.124 11.011 0.952 388 HE2 TYR 48 2HE TYR 48 5.159 11.308 -3.174 389 HH TYR 48 HH TYR 48 4.007 12.841 -0.178 390 H ALA 49 H ALA 49 8.743 5.318 0.102 391 HA ALA 49 HA ALA 49 8.407 2.983 -1.587 392 1HB ALA 49 1HB ALA 49 10.230 2.088 -0.095 393 2HB ALA 49 2HB ALA 49 10.664 3.588 -0.949 394 3HB ALA 49 3HB ALA 49 10.213 3.643 0.772 395 H MET 50 H MET 50 7.960 0.834 -0.569 396 HA MET 50 HA MET 50 6.242 1.167 1.766 397 1HB MET 50 1HB MET 50 4.830 -0.700 0.704 398 2HB MET 50 2HB MET 50 4.788 0.822 -0.164 399 1HG MET 50 1HG MET 50 7.039 -0.769 -1.113 400 2HG MET 50 2HG MET 50 5.578 -1.734 -1.172 401 1HE MET 50 1HE MET 50 3.172 -0.598 -2.568 402 2HE MET 50 2HE MET 50 3.900 -0.723 -4.188 403 3HE MET 50 3HE MET 50 4.323 -1.908 -2.929 404 H GLY 51 H GLY 51 5.888 -0.950 2.992 405 1HA GLY 51 1HA GLY 51 7.558 -3.180 2.565 406 2HA GLY 51 2HA GLY 51 8.336 -2.093 3.698 407 H PHE 52 H PHE 52 6.761 -4.850 3.800 408 HA PHE 52 HA PHE 52 4.529 -4.349 5.444 409 1HB PHE 52 1HB PHE 52 4.879 -6.865 5.887 410 2HB PHE 52 2HB PHE 52 4.795 -6.443 4.189 411 HD1 PHE 52 1HD PHE 52 6.698 -6.699 2.752 412 HD2 PHE 52 2HD PHE 52 7.052 -7.436 6.916 413 HE1 PHE 52 1HE PHE 52 8.922 -7.798 2.368 414 HE2 PHE 52 2HE PHE 52 9.276 -8.536 6.532 415 HZ PHE 52 HZ PHE 52 10.184 -8.704 4.263 416 H ASP 53 H ASP 53 4.408 -3.861 7.586 417 HA ASP 53 HA ASP 53 6.888 -4.124 9.078 418 1HB ASP 53 1HB ASP 53 5.517 -1.885 8.798 419 2HB ASP 53 2HB ASP 53 4.433 -2.583 9.984 420 H ASP 54 H ASP 54 6.251 -4.384 11.645 421 HA ASP 54 HA ASP 54 5.500 -6.854 12.118 422 1HB ASP 54 1HB ASP 54 4.603 -5.993 14.383 423 2HB ASP 54 2HB ASP 54 6.249 -5.561 13.966 424 H THR 55 H THR 55 3.258 -3.980 12.095 425 HA THR 55 HA THR 55 1.158 -5.348 10.853 426 HB THR 55 HB THR 55 1.292 -6.452 13.235 427 HG1 THR 55 1HG THR 55 -0.586 -6.740 11.977 428 1HG2 THR 55 1HG2 THR 55 0.859 -5.142 15.056 429 2HG2 THR 55 2HG2 THR 55 0.978 -3.711 14.003 430 3HG2 THR 55 3HG2 THR 55 -0.600 -4.491 14.270 431 H VAL 56 H VAL 56 -1.054 -4.001 11.506 432 HA VAL 56 HA VAL 56 -0.361 -1.356 10.670 433 HB VAL 56 HB VAL 56 -2.372 -2.920 10.053 434 1HG1 VAL 56 1HG1 VAL 56 -3.496 -1.404 12.434 435 2HG1 VAL 56 2HG1 VAL 56 -4.428 -2.392 11.284 436 3HG1 VAL 56 3HG1 VAL 56 -3.224 -3.161 12.347 437 1HG2 VAL 56 1HG2 VAL 56 -3.585 -0.324 10.239 438 2HG2 VAL 56 2HG2 VAL 56 -1.854 -0.133 9.872 439 3HG2 VAL 56 3HG2 VAL 56 -2.881 -1.135 8.820 440 H GLU 57 H GLU 57 -1.062 0.627 11.795 441 HA GLU 57 HA GLU 57 -0.447 0.383 14.568 442 1HB GLU 57 1HB GLU 57 -1.288 2.933 13.151 443 2HB GLU 57 2HB GLU 57 -0.252 2.767 14.555 444 1HG GLU 57 1HG GLU 57 1.430 1.540 13.102 445 2HG GLU 57 2HG GLU 57 0.413 1.866 11.713 446 H GLU 58 H GLU 58 -1.849 1.878 16.137 447 HA GLU 58 HA GLU 58 -4.488 0.792 15.951 448 1HB GLU 58 1HB GLU 58 -2.821 1.223 18.057 449 2HB GLU 58 2HB GLU 58 -3.762 2.699 18.143 450 1HG GLU 58 1HG GLU 58 -5.326 1.487 19.264 451 2HG GLU 58 2HG GLU 58 -5.728 0.762 17.720 452 H GLY 59 H GLY 59 -3.510 2.944 14.034 453 1HA GLY 59 1HA GLY 59 -5.864 4.428 13.833 454 2HA GLY 59 2HA GLY 59 -4.701 5.415 14.695 455 H ASP 60 H ASP 60 -4.537 3.066 11.914 456 HA ASP 60 HA ASP 60 -3.104 5.167 10.487 457 1HB ASP 60 1HB ASP 60 -2.110 2.698 11.183 458 2HB ASP 60 2HB ASP 60 -2.798 2.321 9.616 459 H HIS 61 H HIS 61 -3.913 5.655 8.393 460 HA HIS 61 HA HIS 61 -6.498 4.807 7.771 461 1HB HIS 61 1HB HIS 61 -4.460 6.594 6.662 462 2HB HIS 61 2HB HIS 61 -5.429 5.827 5.419 463 HD1 HIS 61 1HD HIS 61 -8.212 5.956 6.096 464 HD2 HIS 61 2HD HIS 61 -5.599 8.906 7.534 465 HE1 HIS 61 1HE HIS 61 -9.665 7.963 6.705 466 H VAL 62 H VAL 62 -6.484 2.485 7.789 467 HA VAL 62 HA VAL 62 -4.813 1.183 5.809 468 HB VAL 62 HB VAL 62 -5.297 0.412 8.222 469 1HG1 VAL 62 1HG1 VAL 62 -7.607 -1.119 7.147 470 2HG1 VAL 62 2HG1 VAL 62 -7.297 -0.502 8.788 471 3HG1 VAL 62 3HG1 VAL 62 -7.901 0.596 7.524 472 1HG2 VAL 62 1HG2 VAL 62 -4.599 -0.927 5.862 473 2HG2 VAL 62 2HG2 VAL 62 -4.353 -1.492 7.532 474 3HG2 VAL 62 3HG2 VAL 62 -5.816 -1.969 6.638 475 H PHE 63 H PHE 63 -5.529 0.362 3.865 476 HA PHE 63 HA PHE 63 -8.382 0.787 3.315 477 1HB PHE 63 1HB PHE 63 -5.952 1.785 2.110 478 2HB PHE 63 2HB PHE 63 -6.603 0.615 0.979 479 HD1 PHE 63 1HD PHE 63 -7.243 2.101 -0.747 480 HD2 PHE 63 2HD PHE 63 -8.637 2.755 3.208 481 HE1 PHE 63 1HE PHE 63 -8.857 3.824 -1.600 482 HE2 PHE 63 2HE PHE 63 -10.251 4.477 2.354 483 HZ PHE 63 HZ PHE 63 -10.341 4.991 -0.039 484 H GLU 64 H GLU 64 -9.413 -0.745 1.849 485 HA GLU 64 HA GLU 64 -8.131 -3.335 2.062 486 1HB GLU 64 1HB GLU 64 -11.010 -2.656 1.317 487 2HB GLU 64 2HB GLU 64 -10.381 -4.259 1.638 488 1HG GLU 64 1HG GLU 64 -9.906 -3.684 3.970 489 2HG GLU 64 2HG GLU 64 -10.283 -1.997 3.684 490 H TYR 65 H TYR 65 -7.093 -4.172 0.308 491 HA TYR 65 HA TYR 65 -7.835 -3.082 -2.317 492 1HB TYR 65 1HB TYR 65 -5.369 -3.897 -0.827 493 2HB TYR 65 2HB TYR 65 -5.418 -4.557 -2.449 494 HD1 TYR 65 1HD TYR 65 -6.257 -2.667 -4.270 495 HD2 TYR 65 2HD TYR 65 -4.205 -1.914 -0.592 496 HE1 TYR 65 1HE TYR 65 -5.406 -0.454 -5.190 497 HE2 TYR 65 2HE TYR 65 -3.361 0.297 -1.524 498 HH TYR 65 HH TYR 65 -2.980 1.369 -3.540 499 H ASP 66 H ASP 66 -6.567 -5.069 -3.895 500 HA ASP 66 HA ASP 66 -8.629 -6.927 -4.011 501 1HB ASP 66 1HB ASP 66 -7.258 -6.257 -5.965 502 2HB ASP 66 2HB ASP 66 -5.829 -6.959 -5.233 503 H GLY 67 H GLY 67 -8.390 -7.594 -1.593 504 1HA GLY 67 1HA GLY 67 -8.018 -9.374 -0.231 505 2HA GLY 67 2HA GLY 67 -6.995 -10.106 -1.451 506 H VAL 68 H VAL 68 -5.815 -7.016 -1.293 507 HA VAL 68 HA VAL 68 -3.847 -7.800 0.737 508 HB VAL 68 HB VAL 68 -3.685 -6.023 -1.700 509 1HG1 VAL 68 1HG1 VAL 68 -1.631 -6.457 0.493 510 2HG1 VAL 68 2HG1 VAL 68 -1.285 -5.707 -1.083 511 3HG1 VAL 68 3HG1 VAL 68 -2.421 -4.927 0.043 512 1HG2 VAL 68 1HG2 VAL 68 -1.622 -7.994 -1.547 513 2HG2 VAL 68 2HG2 VAL 68 -3.182 -8.798 -1.247 514 3HG2 VAL 68 3HG2 VAL 68 -2.941 -7.851 -2.734 515 H LYS 69 H LYS 69 -2.876 -5.899 1.974 516 HA LYS 69 HA LYS 69 -4.945 -3.868 2.435 517 1HB LYS 69 1HB LYS 69 -4.045 -5.908 4.230 518 2HB LYS 69 2HB LYS 69 -3.494 -4.363 4.845 519 1HG LYS 69 1HG LYS 69 -5.906 -3.502 4.396 520 2HG LYS 69 2HG LYS 69 -6.350 -5.184 4.179 521 1HD LYS 69 1HD LYS 69 -5.257 -5.618 6.491 522 2HD LYS 69 2HD LYS 69 -5.217 -3.877 6.687 523 1HE LYS 69 1HE LYS 69 -7.280 -4.370 7.672 524 2HE LYS 69 2HE LYS 69 -7.787 -4.010 6.033 525 1HZ LYS 69 1HZ LYS 69 -7.184 -6.621 5.921 526 2HZ LYS 69 2HZ LYS 69 -7.825 -6.492 7.418 527 3HZ LYS 69 3HZ LYS 69 -8.688 -6.015 6.116 528 H VAL 70 H VAL 70 -4.170 -1.767 3.042 529 HA VAL 70 HA VAL 70 -1.295 -1.389 2.978 530 HB VAL 70 HB VAL 70 -3.218 -0.338 0.913 531 1HG1 VAL 70 1HG1 VAL 70 -0.474 0.785 1.576 532 2HG1 VAL 70 2HG1 VAL 70 -1.472 1.231 0.171 533 3HG1 VAL 70 3HG1 VAL 70 -2.034 1.607 1.818 534 1HG2 VAL 70 1HG2 VAL 70 -1.328 -1.047 -0.612 535 2HG2 VAL 70 2HG2 VAL 70 -0.559 -1.791 0.811 536 3HG2 VAL 70 3HG2 VAL 70 -2.148 -2.369 0.254 537 H VAL 71 H VAL 71 -0.708 0.857 3.667 538 HA VAL 71 HA VAL 71 -2.883 2.303 4.942 539 HB VAL 71 HB VAL 71 -2.055 2.194 7.094 540 1HG1 VAL 71 1HG1 VAL 71 -3.087 0.097 6.645 541 2HG1 VAL 71 2HG1 VAL 71 -1.643 -0.517 5.804 542 3HG1 VAL 71 3HG1 VAL 71 -1.606 -0.260 7.565 543 1HG2 VAL 71 1HG2 VAL 71 0.537 0.977 6.082 544 2HG2 VAL 71 2HG2 VAL 71 0.307 2.696 6.485 545 3HG2 VAL 71 3HG2 VAL 71 0.157 1.456 7.754 546 H ILE 72 H ILE 72 -2.151 4.502 5.662 547 HA ILE 72 HA ILE 72 0.382 5.348 4.542 548 HB ILE 72 HB ILE 72 -2.264 6.431 3.569 549 1HG1 ILE 72 1HG1 ILE 72 -0.114 4.745 2.293 550 2HG1 ILE 72 2HG1 ILE 72 -1.839 4.446 2.378 551 1HG2 ILE 72 1HG2 ILE 72 0.561 7.399 3.058 552 2HG2 ILE 72 2HG2 ILE 72 -0.881 7.934 2.163 553 3HG2 ILE 72 3HG2 ILE 72 -0.740 8.270 3.905 554 1HD1 ILE 72 1HD1 ILE 72 -0.357 6.450 0.650 555 2HD1 ILE 72 2HD1 ILE 72 -1.526 5.202 0.158 556 3HD1 ILE 72 3HD1 ILE 72 -2.088 6.663 1.005 557 H ASP 73 H ASP 73 1.322 6.833 5.863 558 HA ASP 73 HA ASP 73 0.436 7.345 8.316 559 1HB ASP 73 1HB ASP 73 2.343 8.607 6.448 560 2HB ASP 73 2HB ASP 73 1.725 9.748 7.625 561 HA PRO 74 HA PRO 74 -2.730 10.352 7.915 562 1HB PRO 74 1HB PRO 74 -2.614 11.643 10.321 563 2HB PRO 74 2HB PRO 74 -3.391 10.087 10.104 564 1HG PRO 74 1HG PRO 74 -0.786 10.699 11.361 565 2HG PRO 74 2HG PRO 74 -1.762 9.251 11.507 566 1HD PRO 74 1HD PRO 74 0.609 9.569 9.926 567 2HD PRO 74 2HD PRO 74 -0.431 8.160 9.983 568 H PHE 75 H PHE 75 0.480 11.389 8.515 569 HA PHE 75 HA PHE 75 -0.211 14.125 7.862 570 1HB PHE 75 1HB PHE 75 1.691 12.816 9.453 571 2HB PHE 75 2HB PHE 75 2.633 13.173 8.019 572 HD1 PHE 75 1HD PHE 75 0.368 14.827 10.475 573 HD2 PHE 75 2HD PHE 75 3.644 15.251 7.810 574 HE1 PHE 75 1HE PHE 75 0.736 17.169 11.299 575 HE2 PHE 75 2HE PHE 75 4.011 17.593 8.634 576 HZ PHE 75 HZ PHE 75 2.553 18.524 10.369 577 H SER 76 H SER 76 1.169 11.203 6.388 578 HA SER 76 HA SER 76 2.120 12.725 4.141 579 1HB SER 76 1HB SER 76 3.517 10.882 4.896 580 2HB SER 76 2HB SER 76 2.176 9.756 4.822 581 HG SER 76 HG SER 76 2.733 11.114 2.407 582 H MET 77 H MET 77 -0.734 11.057 5.222 583 HA MET 77 HA MET 77 -1.705 10.046 2.863 584 1HB MET 77 1HB MET 77 -2.695 10.790 5.541 585 2HB MET 77 2HB MET 77 -3.924 11.080 4.325 586 1HG MET 77 1HG MET 77 -2.470 8.447 4.858 587 2HG MET 77 2HG MET 77 -4.165 8.786 5.145 588 1HE MET 77 1HE MET 77 -4.349 10.773 2.376 589 2HE MET 77 2HE MET 77 -5.255 9.615 1.374 590 3HE MET 77 3HE MET 77 -5.679 9.829 3.089 591 HA PRO 78 HA PRO 78 -3.604 14.342 2.153 592 1HB PRO 78 1HB PRO 78 -2.720 16.470 3.623 593 2HB PRO 78 2HB PRO 78 -4.166 15.563 4.022 594 1HG PRO 78 1HG PRO 78 -1.514 15.495 5.328 595 2HG PRO 78 2HG PRO 78 -3.058 14.942 5.947 596 1HD PRO 78 1HD PRO 78 -0.938 13.308 4.915 597 2HD PRO 78 2HD PRO 78 -2.524 12.767 5.426 598 H TYR 79 H TYR 79 -0.519 13.384 2.204 599 HA TYR 79 HA TYR 79 0.386 15.647 0.578 600 1HB TYR 79 1HB TYR 79 1.464 13.905 2.611 601 2HB TYR 79 2HB TYR 79 2.261 13.428 1.125 602 HD1 TYR 79 1HD TYR 79 3.706 15.028 -0.098 603 HD2 TYR 79 2HD TYR 79 1.917 16.047 3.652 604 HE1 TYR 79 1HE TYR 79 5.319 16.978 0.150 605 HE2 TYR 79 2HE TYR 79 3.535 17.994 3.887 606 HH TYR 79 HH TYR 79 6.292 18.273 2.078 607 H VAL 80 H VAL 80 -1.221 12.752 0.163 608 HA VAL 80 HA VAL 80 -0.336 12.604 -2.579 609 HB VAL 80 HB VAL 80 0.291 10.324 -2.554 610 1HG1 VAL 80 1HG1 VAL 80 2.055 11.907 -1.897 611 2HG1 VAL 80 2HG1 VAL 80 1.621 11.685 -0.186 612 3HG1 VAL 80 3HG1 VAL 80 2.281 10.322 -1.120 613 1HG2 VAL 80 1HG2 VAL 80 -1.375 9.542 -0.897 614 2HG2 VAL 80 2HG2 VAL 80 0.253 8.895 -0.582 615 3HG2 VAL 80 3HG2 VAL 80 -0.379 10.233 0.407 616 H ASN 81 H ASN 81 -2.732 13.333 -0.830 617 HA ASN 81 HA ASN 81 -4.654 11.503 -0.727 618 1HB ASN 81 1HB ASN 81 -5.083 13.793 -0.021 619 2HB ASN 81 2HB ASN 81 -4.803 14.416 -1.634 620 1HD2 ASN 81 1HD2 ASN 81 -6.374 14.364 -3.156 621 2HD2 ASN 81 2HD2 ASN 81 -8.010 13.872 -2.870 622 H GLY 82 H GLY 82 -5.710 10.189 -2.234 623 1HA GLY 82 1HA GLY 82 -6.132 9.234 -4.239 624 2HA GLY 82 2HA GLY 82 -6.744 10.825 -4.645 625 H ALA 83 H ALA 83 -3.306 10.293 -3.856 626 HA ALA 83 HA ALA 83 -2.548 11.376 -6.387 627 1HB ALA 83 1HB ALA 83 -1.398 11.794 -4.179 628 2HB ALA 83 2HB ALA 83 -0.825 10.109 -4.223 629 3HB ALA 83 3HB ALA 83 -0.310 11.258 -5.482 630 H GLU 84 H GLU 84 -0.897 10.241 -7.807 631 HA GLU 84 HA GLU 84 -1.673 7.437 -7.991 632 1HB GLU 84 1HB GLU 84 -1.582 9.575 -9.942 633 2HB GLU 84 2HB GLU 84 -0.457 8.322 -10.429 634 1HG GLU 84 1HG GLU 84 -2.164 6.638 -10.473 635 2HG GLU 84 2HG GLU 84 -3.275 7.616 -9.534 636 H LEU 85 H LEU 85 -0.101 6.207 -7.021 637 HA LEU 85 HA LEU 85 2.679 7.009 -7.488 638 1HB LEU 85 1HB LEU 85 2.664 6.861 -5.264 639 2HB LEU 85 2HB LEU 85 1.205 5.891 -5.222 640 HG LEU 85 HG LEU 85 2.559 3.880 -5.802 641 1HD1 LEU 85 1HD1 LEU 85 5.128 4.361 -5.198 642 2HD1 LEU 85 2HD1 LEU 85 4.490 4.407 -6.859 643 3HD1 LEU 85 3HD1 LEU 85 4.712 5.920 -5.949 644 1HD2 LEU 85 1HD2 LEU 85 3.994 4.231 -3.483 645 2HD2 LEU 85 2HD2 LEU 85 2.675 5.414 -3.307 646 3HD2 LEU 85 3HD2 LEU 85 2.300 3.697 -3.590 647 H ASP 86 H ASP 86 3.512 6.048 -9.268 648 HA ASP 86 HA ASP 86 2.540 3.406 -9.916 649 1HB ASP 86 1HB ASP 86 4.614 4.490 -11.687 650 2HB ASP 86 2HB ASP 86 2.985 3.975 -12.078 651 H TYR 87 H TYR 87 3.684 1.889 -8.645 652 HA TYR 87 HA TYR 87 6.491 2.311 -8.109 653 1HB TYR 87 1HB TYR 87 4.312 1.158 -6.825 654 2HB TYR 87 2HB TYR 87 5.002 -0.269 -7.573 655 HD1 TYR 87 1HD TYR 87 6.243 2.722 -5.657 656 HD2 TYR 87 2HD TYR 87 6.435 -1.511 -6.249 657 HE1 TYR 87 1HE TYR 87 7.914 2.525 -3.751 658 HE2 TYR 87 2HE TYR 87 8.106 -1.694 -4.341 659 HH TYR 87 HH TYR 87 9.891 0.227 -3.322 660 H VAL 88 H VAL 88 8.167 1.463 -9.249 661 HA VAL 88 HA VAL 88 7.517 -0.206 -11.515 662 HB VAL 88 HB VAL 88 9.998 1.193 -10.527 663 1HG1 VAL 88 1HG1 VAL 88 10.738 -0.907 -11.508 664 2HG1 VAL 88 2HG1 VAL 88 9.728 -0.624 -12.946 665 3HG1 VAL 88 3HG1 VAL 88 11.114 0.440 -12.609 666 1HG2 VAL 88 1HG2 VAL 88 9.665 2.710 -12.257 667 2HG2 VAL 88 2HG2 VAL 88 8.657 1.582 -13.195 668 3HG2 VAL 88 3HG2 VAL 88 7.999 2.361 -11.736 669 H VAL 89 H VAL 89 8.607 -2.266 -11.935 670 HA VAL 89 HA VAL 89 9.513 -3.568 -9.464 671 HB VAL 89 HB VAL 89 7.740 -4.786 -11.589 672 1HG1 VAL 89 1HG1 VAL 89 8.405 -5.865 -8.837 673 2HG1 VAL 89 2HG1 VAL 89 7.591 -6.700 -10.181 674 3HG1 VAL 89 3HG1 VAL 89 9.321 -6.298 -10.300 675 1HG2 VAL 89 1HG2 VAL 89 7.097 -3.168 -9.226 676 2HG2 VAL 89 2HG2 VAL 89 6.078 -3.638 -10.608 677 3HG2 VAL 89 3HG2 VAL 89 6.289 -4.754 -9.238 678 H ASP 90 H ASP 90 11.542 -4.355 -9.662 679 HA ASP 90 HA ASP 90 12.322 -5.648 -12.046 680 1HB ASP 90 1HB ASP 90 13.659 -3.006 -11.292 681 2HB ASP 90 2HB ASP 90 14.323 -4.140 -12.452 682 H PHE 91 H PHE 91 15.064 -5.809 -11.729 683 HA PHE 91 HA PHE 91 16.441 -7.104 -10.517 684 1HB PHE 91 1HB PHE 91 16.548 -4.455 -9.929 685 2HB PHE 91 2HB PHE 91 16.038 -5.006 -8.345 686 HD1 PHE 91 1HD PHE 91 17.810 -4.990 -6.880 687 HD2 PHE 91 2HD PHE 91 18.478 -6.335 -10.849 688 HE1 PHE 91 1HE PHE 91 20.192 -5.522 -6.298 689 HE2 PHE 91 2HE PHE 91 20.861 -6.867 -10.267 690 HZ PHE 91 HZ PHE 91 21.690 -6.455 -7.999 691 H MET 92 H MET 92 16.518 -6.636 -7.412 692 HA MET 92 HA MET 92 14.718 -8.834 -6.893 693 1HB MET 92 1HB MET 92 17.275 -7.810 -5.840 694 2HB MET 92 2HB MET 92 16.150 -8.117 -4.531 695 1HG MET 92 1HG MET 92 16.416 -10.366 -4.736 696 2HG MET 92 2HG MET 92 16.024 -10.313 -6.444 697 1HE MET 92 1HE MET 92 18.500 -9.415 -8.342 698 2HE MET 92 2HE MET 92 18.947 -11.129 -8.171 699 3HE MET 92 3HE MET 92 17.235 -10.645 -8.107 700 H GLY 93 H GLY 93 13.885 -5.894 -7.282 701 1HA GLY 93 1HA GLY 93 12.024 -5.827 -5.081 702 2HA GLY 93 2HA GLY 93 13.221 -4.548 -5.026 703 H GLY 94 H GLY 94 12.912 -2.717 -6.256 704 1HA GLY 94 1HA GLY 94 11.776 -2.607 -8.785 705 2HA GLY 94 2HA GLY 94 10.464 -2.385 -7.646 706 H GLY 95 H GLY 95 10.600 -0.204 -8.976 707 1HA GLY 95 1HA GLY 95 12.497 1.617 -7.623 708 2HA GLY 95 2HA GLY 95 11.838 1.848 -9.230 709 H PHE 96 H PHE 96 11.431 4.019 -7.855 710 HA PHE 96 HA PHE 96 8.669 3.792 -6.896 711 1HB PHE 96 1HB PHE 96 10.594 5.908 -5.881 712 2HB PHE 96 2HB PHE 96 9.249 5.170 -5.034 713 HD1 PHE 96 1HD PHE 96 9.642 3.482 -3.479 714 HD2 PHE 96 2HD PHE 96 12.655 4.400 -6.323 715 HE1 PHE 96 1HE PHE 96 11.233 1.947 -2.290 716 HE2 PHE 96 2HE PHE 96 14.245 2.865 -5.134 717 HZ PHE 96 HZ PHE 96 13.515 1.657 -3.131 718 H THR 97 H THR 97 7.250 5.146 -7.911 719 HA THR 97 HA THR 97 8.214 7.649 -9.005 720 HB THR 97 HB THR 97 7.372 5.245 -10.660 721 HG1 THR 97 1HG THR 97 9.600 5.752 -10.629 722 1HG2 THR 97 1HG2 THR 97 7.511 7.356 -12.453 723 2HG2 THR 97 2HG2 THR 97 5.988 6.628 -11.887 724 3HG2 THR 97 3HG2 THR 97 6.618 8.096 -11.102 725 H ILE 98 H ILE 98 6.812 9.160 -8.390 726 HA ILE 98 HA ILE 98 4.001 8.329 -8.196 727 HB ILE 98 HB ILE 98 5.061 8.596 -5.995 728 1HG1 ILE 98 1HG1 ILE 98 3.211 10.918 -6.131 729 2HG1 ILE 98 2HG1 ILE 98 2.604 9.409 -6.784 730 1HG2 ILE 98 1HG2 ILE 98 5.240 11.543 -6.248 731 2HG2 ILE 98 2HG2 ILE 98 6.231 10.400 -5.310 732 3HG2 ILE 98 3HG2 ILE 98 6.517 10.601 -7.055 733 1HD1 ILE 98 1HD1 ILE 98 2.022 9.089 -4.568 734 2HD1 ILE 98 2HD1 ILE 98 3.674 8.429 -4.505 735 3HD1 ILE 98 3HD1 ILE 98 3.360 10.095 -3.963 736 H ARG 99 H ARG 99 2.440 9.782 -8.988 737 HA ARG 99 HA ARG 99 3.591 12.095 -10.326 738 1HB ARG 99 1HB ARG 99 2.609 9.899 -11.663 739 2HB ARG 99 2HB ARG 99 1.145 10.853 -11.533 740 1HG ARG 99 1HG ARG 99 2.786 12.830 -12.348 741 2HG ARG 99 2HG ARG 99 3.702 11.485 -13.000 742 1HD ARG 99 1HD ARG 99 0.935 11.014 -13.642 743 2HD ARG 99 2HD ARG 99 1.280 12.685 -14.041 744 HE ARG 99 HE ARG 99 3.462 11.338 -15.082 745 1HH1 ARG 99 2HH2 ARG 99 -0.019 10.967 -15.438 746 2HH1 ARG 99 1HH2 ARG 99 0.085 10.329 -17.045 747 1HH2 ARG 99 2HH1 ARG 99 3.600 10.496 -17.202 748 2HH2 ARG 99 1HH1 ARG 99 2.157 10.059 -18.055 749 H ASN 100 H ASN 100 2.559 14.029 -9.837 750 HA ASN 100 HA ASN 100 0.185 13.790 -8.203 751 1HB ASN 100 1HB ASN 100 0.638 16.226 -7.694 752 2HB ASN 100 2HB ASN 100 1.989 15.187 -7.285 753 1HD2 ASN 100 1HD2 ASN 100 3.884 15.895 -7.862 754 2HD2 ASN 100 2HD2 ASN 100 4.267 16.909 -9.213 755 HA PRO 101 HA PRO 101 -2.201 15.343 -11.549 756 1HB PRO 101 1HB PRO 101 -4.482 16.062 -10.227 757 2HB PRO 101 2HB PRO 101 -4.131 14.413 -10.705 758 1HG PRO 101 1HG PRO 101 -3.993 15.632 -8.016 759 2HG PRO 101 2HG PRO 101 -4.064 13.936 -8.449 760 1HD PRO 101 1HD PRO 101 -1.745 15.393 -7.599 761 2HD PRO 101 2HD PRO 101 -1.795 13.728 -8.143 Start of MODEL 17 1 H MET 1 H MET 1 -18.596 -2.139 19.637 2 HA MET 1 HA MET 1 -16.443 -2.663 20.582 3 1HB MET 1 1HB MET 1 -17.537 -4.257 18.228 4 2HB MET 1 2HB MET 1 -16.103 -4.831 19.056 5 1HG MET 1 1HG MET 1 -17.656 -4.363 21.234 6 2HG MET 1 2HG MET 1 -18.932 -4.639 20.065 7 1HE MET 1 1HE MET 1 -19.230 -8.139 21.175 8 2HE MET 1 2HE MET 1 -19.762 -6.452 21.373 9 3HE MET 1 3HE MET 1 -19.812 -7.218 19.767 10 H GLN 2 H GLN 2 -14.899 -0.945 20.112 11 HA GLN 2 HA GLN 2 -13.230 0.027 19.086 12 1HB GLN 2 1HB GLN 2 -12.609 -2.717 19.521 13 2HB GLN 2 2HB GLN 2 -11.921 -2.318 17.959 14 1HG GLN 2 1HG GLN 2 -11.476 -0.709 20.519 15 2HG GLN 2 2HG GLN 2 -10.341 -1.870 19.859 16 1HE2 GLN 2 1HE2 GLN 2 -8.689 -0.596 19.327 17 2HE2 GLN 2 2HE2 GLN 2 -8.734 0.698 18.176 18 H GLU 3 H GLU 3 -14.122 1.230 17.381 19 HA GLU 3 HA GLU 3 -13.778 -0.024 14.787 20 1HB GLU 3 1HB GLU 3 -16.239 -0.036 15.566 21 2HB GLU 3 2HB GLU 3 -16.197 1.710 15.422 22 1HG GLU 3 1HG GLU 3 -15.123 1.001 12.993 23 2HG GLU 3 2HG GLU 3 -16.172 -0.374 13.278 24 H GLN 4 H GLN 4 -12.191 1.176 13.833 25 HA GLN 4 HA GLN 4 -12.196 4.025 14.420 26 1HB GLN 4 1HB GLN 4 -10.105 2.015 14.144 27 2HB GLN 4 2HB GLN 4 -9.827 3.322 13.010 28 1HG GLN 4 1HG GLN 4 -10.534 4.729 15.290 29 2HG GLN 4 2HG GLN 4 -9.719 3.343 15.985 30 1HE2 GLN 4 1HE2 GLN 4 -9.180 6.355 15.304 31 2HE2 GLN 4 2HE2 GLN 4 -7.544 6.360 14.734 32 H ALA 5 H ALA 5 -13.921 4.521 12.898 33 HA ALA 5 HA ALA 5 -13.820 3.726 10.209 34 1HB ALA 5 1HB ALA 5 -15.632 4.944 11.877 35 2HB ALA 5 2HB ALA 5 -15.131 6.304 10.843 36 3HB ALA 5 3HB ALA 5 -15.803 4.828 10.109 37 H GLN 6 H GLN 6 -12.583 4.423 8.533 38 HA GLN 6 HA GLN 6 -11.746 7.106 8.387 39 1HB GLN 6 1HB GLN 6 -9.977 6.676 9.866 40 2HB GLN 6 2HB GLN 6 -9.784 5.018 9.330 41 1HG GLN 6 1HG GLN 6 -8.488 5.606 7.490 42 2HG GLN 6 2HG GLN 6 -9.296 7.145 7.269 43 1HE2 GLN 6 1HE2 GLN 6 -7.636 8.512 7.249 44 2HE2 GLN 6 2HE2 GLN 6 -6.512 8.767 8.543 45 H GLN 7 H GLN 7 -12.257 7.377 6.252 46 HA GLN 7 HA GLN 7 -11.277 5.305 4.446 47 1HB GLN 7 1HB GLN 7 -13.189 5.767 2.982 48 2HB GLN 7 2HB GLN 7 -13.759 5.352 4.586 49 1HG GLN 7 1HG GLN 7 -13.620 8.016 4.946 50 2HG GLN 7 2HG GLN 7 -13.766 8.033 3.200 51 1HE2 GLN 7 1HE2 GLN 7 -15.778 8.803 3.000 52 2HE2 GLN 7 2HE2 GLN 7 -17.219 8.014 3.549 53 H PHE 8 H PHE 8 -9.346 6.190 3.728 54 HA PHE 8 HA PHE 8 -9.399 8.996 2.922 55 1HB PHE 8 1HB PHE 8 -7.580 7.225 4.261 56 2HB PHE 8 2HB PHE 8 -6.865 7.491 2.684 57 HD1 PHE 8 1HD PHE 8 -8.122 10.388 2.504 58 HD2 PHE 8 2HD PHE 8 -5.750 8.360 5.381 59 HE1 PHE 8 1HE PHE 8 -7.199 12.585 3.293 60 HE2 PHE 8 2HE PHE 8 -4.828 10.558 6.169 61 HZ PHE 8 HZ PHE 8 -5.564 12.644 5.116 62 H ILE 9 H ILE 9 -8.589 9.654 0.829 63 HA ILE 9 HA ILE 9 -9.239 7.721 -1.205 64 HB ILE 9 HB ILE 9 -10.031 10.058 -1.260 65 1HG1 ILE 9 1HG1 ILE 9 -8.684 10.275 -3.724 66 2HG1 ILE 9 2HG1 ILE 9 -8.789 8.556 -3.405 67 1HG2 ILE 9 1HG2 ILE 9 -7.680 11.308 -2.329 68 2HG2 ILE 9 2HG2 ILE 9 -8.682 11.787 -0.938 69 3HG2 ILE 9 3HG2 ILE 9 -7.323 10.661 -0.709 70 1HD1 ILE 9 1HD1 ILE 9 -10.886 8.787 -4.310 71 2HD1 ILE 9 2HD1 ILE 9 -11.314 9.322 -2.668 72 3HD1 ILE 9 3HD1 ILE 9 -10.964 10.525 -3.933 73 H PHE 10 H PHE 10 -7.825 6.589 -2.470 74 HA PHE 10 HA PHE 10 -5.110 7.457 -2.718 75 1HB PHE 10 1HB PHE 10 -5.286 6.234 -0.461 76 2HB PHE 10 2HB PHE 10 -5.860 4.819 -1.320 77 HD1 PHE 10 1HD PHE 10 -4.230 3.191 -1.208 78 HD2 PHE 10 2HD PHE 10 -3.059 7.185 -2.036 79 HE1 PHE 10 1HE PHE 10 -1.861 2.429 -1.536 80 HE2 PHE 10 2HE PHE 10 -0.690 6.423 -2.364 81 HZ PHE 10 HZ PHE 10 -0.120 4.054 -2.109 82 H LYS 11 H LYS 11 -4.149 6.602 -4.572 83 HA LYS 11 HA LYS 11 -5.558 4.385 -5.856 84 1HB LYS 11 1HB LYS 11 -4.702 6.800 -7.446 85 2HB LYS 11 2HB LYS 11 -5.766 5.492 -7.923 86 1HG LYS 11 1HG LYS 11 -6.432 7.408 -5.644 87 2HG LYS 11 2HG LYS 11 -6.912 7.708 -7.302 88 1HD LYS 11 1HD LYS 11 -8.427 5.911 -7.343 89 2HD LYS 11 2HD LYS 11 -7.570 5.016 -6.105 90 1HE LYS 11 1HE LYS 11 -8.413 6.429 -4.343 91 2HE LYS 11 2HE LYS 11 -8.949 7.656 -5.473 92 1HZ LYS 11 1HZ LYS 11 -10.070 5.036 -5.861 93 2HZ LYS 11 2HZ LYS 11 -10.532 5.802 -4.495 94 3HZ LYS 11 3HZ LYS 11 -10.787 6.500 -5.949 95 H VAL 12 H VAL 12 -4.112 2.781 -6.126 96 HA VAL 12 HA VAL 12 -1.354 3.590 -6.743 97 HB VAL 12 HB VAL 12 -2.021 2.543 -4.411 98 1HG1 VAL 12 1HG1 VAL 12 -1.392 -0.011 -5.879 99 2HG1 VAL 12 2HG1 VAL 12 -2.111 0.223 -4.267 100 3HG1 VAL 12 3HG1 VAL 12 -3.074 0.553 -5.728 101 1HG2 VAL 12 1HG2 VAL 12 0.385 2.028 -6.143 102 2HG2 VAL 12 2HG2 VAL 12 0.219 3.069 -4.708 103 3HG2 VAL 12 3HG2 VAL 12 0.281 1.300 -4.522 104 H THR 13 H THR 13 -0.332 2.502 -8.431 105 HA THR 13 HA THR 13 -2.006 1.343 -10.370 106 HB THR 13 HB THR 13 0.244 0.893 -11.472 107 HG1 THR 13 1HG THR 13 2.067 1.305 -10.142 108 1HG2 THR 13 1HG2 THR 13 -0.425 3.576 -10.230 109 2HG2 THR 13 2HG2 THR 13 1.149 3.371 -11.035 110 3HG2 THR 13 3HG2 THR 13 -0.357 3.125 -11.951 111 H ASP 14 H ASP 14 -1.952 -0.820 -11.279 112 HA ASP 14 HA ASP 14 -2.423 -2.714 -9.361 113 1HB ASP 14 1HB ASP 14 -1.927 -2.720 -12.326 114 2HB ASP 14 2HB ASP 14 -1.827 -4.271 -11.516 115 H LYS 15 H LYS 15 0.542 -1.727 -11.092 116 HA LYS 15 HA LYS 15 2.077 -4.014 -10.524 117 1HB LYS 15 1HB LYS 15 2.366 -1.756 -12.067 118 2HB LYS 15 2HB LYS 15 3.512 -1.452 -10.777 119 1HG LYS 15 1HG LYS 15 4.389 -3.848 -11.156 120 2HG LYS 15 2HG LYS 15 3.400 -3.893 -12.602 121 1HD LYS 15 1HD LYS 15 4.746 -1.447 -12.843 122 2HD LYS 15 2HD LYS 15 5.956 -2.489 -12.120 123 1HE LYS 15 1HE LYS 15 5.668 -4.154 -13.920 124 2HE LYS 15 2HE LYS 15 4.341 -3.235 -14.604 125 1HZ LYS 15 1HZ LYS 15 7.145 -2.777 -14.817 126 2HZ LYS 15 2HZ LYS 15 5.935 -2.299 -15.804 127 3HZ LYS 15 3HZ LYS 15 6.300 -1.421 -14.476 128 H ALA 16 H ALA 16 1.484 -0.915 -8.789 129 HA ALA 16 HA ALA 16 3.400 -1.303 -6.797 130 1HB ALA 16 1HB ALA 16 1.836 0.734 -7.513 131 2HB ALA 16 2HB ALA 16 0.799 0.083 -6.222 132 3HB ALA 16 3HB ALA 16 2.465 0.590 -5.854 133 H VAL 17 H VAL 17 -0.076 -2.266 -7.050 134 HA VAL 17 HA VAL 17 -0.194 -3.360 -4.459 135 HB VAL 17 HB VAL 17 -1.858 -3.129 -6.842 136 1HG1 VAL 17 1HG1 VAL 17 -1.989 -5.670 -5.200 137 2HG1 VAL 17 2HG1 VAL 17 -3.378 -5.042 -6.120 138 3HG1 VAL 17 3HG1 VAL 17 -1.881 -5.498 -6.968 139 1HG2 VAL 17 1HG2 VAL 17 -2.682 -1.830 -5.169 140 2HG2 VAL 17 2HG2 VAL 17 -3.574 -3.317 -4.768 141 3HG2 VAL 17 3HG2 VAL 17 -2.084 -2.908 -3.884 142 H GLU 18 H GLU 18 0.335 -4.812 -7.740 143 HA GLU 18 HA GLU 18 0.485 -7.408 -6.951 144 1HB GLU 18 1HB GLU 18 1.089 -5.872 -9.287 145 2HB GLU 18 2HB GLU 18 2.477 -6.902 -8.996 146 1HG GLU 18 1HG GLU 18 0.972 -8.186 -10.367 147 2HG GLU 18 2HG GLU 18 0.865 -8.871 -8.757 148 H GLU 19 H GLU 19 3.101 -4.910 -7.033 149 HA GLU 19 HA GLU 19 5.218 -6.475 -6.438 150 1HB GLU 19 1HB GLU 19 5.636 -4.191 -6.914 151 2HB GLU 19 2HB GLU 19 4.509 -3.626 -5.696 152 1HG GLU 19 1HG GLU 19 6.759 -3.271 -4.846 153 2HG GLU 19 2HG GLU 19 6.031 -4.558 -3.906 154 H ILE 20 H ILE 20 2.572 -5.403 -4.308 155 HA ILE 20 HA ILE 20 3.879 -6.108 -1.891 156 HB ILE 20 HB ILE 20 0.906 -5.956 -2.257 157 1HG1 ILE 20 1HG1 ILE 20 1.415 -4.054 -3.468 158 2HG1 ILE 20 2HG1 ILE 20 1.276 -3.424 -1.838 159 1HG2 ILE 20 1HG2 ILE 20 2.858 -5.364 -0.034 160 2HG2 ILE 20 2HG2 ILE 20 1.190 -4.744 -0.022 161 3HG2 ILE 20 3HG2 ILE 20 1.487 -6.499 -0.051 162 1HD1 ILE 20 1HD1 ILE 20 3.687 -3.690 -3.571 163 2HD1 ILE 20 2HD1 ILE 20 3.317 -2.488 -2.312 164 3HD1 ILE 20 3HD1 ILE 20 3.933 -4.095 -1.855 165 H LYS 21 H LYS 21 1.550 -7.740 -4.117 166 HA LYS 21 HA LYS 21 1.276 -10.032 -2.509 167 1HB LYS 21 1HB LYS 21 0.791 -9.547 -5.461 168 2HB LYS 21 2HB LYS 21 0.366 -11.031 -4.632 169 1HG LYS 21 1HG LYS 21 -1.256 -9.955 -3.259 170 2HG LYS 21 2HG LYS 21 -0.573 -8.364 -3.531 171 1HD LYS 21 1HD LYS 21 -1.805 -8.042 -5.422 172 2HD LYS 21 2HD LYS 21 -1.385 -9.618 -6.062 173 1HE LYS 21 1HE LYS 21 -3.354 -9.461 -3.770 174 2HE LYS 21 2HE LYS 21 -3.904 -9.049 -5.382 175 1HZ LYS 21 1HZ LYS 21 -4.234 -11.332 -5.097 176 2HZ LYS 21 2HZ LYS 21 -2.939 -11.215 -6.085 177 3HZ LYS 21 3HZ LYS 21 -2.732 -11.591 -4.510 178 H LYS 22 H LYS 22 3.634 -8.984 -4.974 179 HA LYS 22 HA LYS 22 4.796 -11.523 -5.348 180 1HB LYS 22 1HB LYS 22 4.971 -9.090 -6.578 181 2HB LYS 22 2HB LYS 22 6.497 -9.133 -5.720 182 1HG LYS 22 1HG LYS 22 6.043 -11.744 -6.880 183 2HG LYS 22 2HG LYS 22 5.769 -10.540 -8.124 184 1HD LYS 22 1HD LYS 22 8.130 -9.806 -6.591 185 2HD LYS 22 2HD LYS 22 8.279 -11.473 -7.111 186 1HE LYS 22 1HE LYS 22 7.368 -9.361 -9.090 187 2HE LYS 22 2HE LYS 22 9.073 -9.522 -8.717 188 1HZ LYS 22 1HZ LYS 22 7.316 -11.404 -10.043 189 2HZ LYS 22 2HZ LYS 22 8.858 -10.998 -10.394 190 3HZ LYS 22 3HZ LYS 22 8.543 -12.015 -9.156 191 H VAL 23 H VAL 23 5.355 -8.818 -3.052 192 HA VAL 23 HA VAL 23 7.669 -10.066 -1.932 193 HB VAL 23 HB VAL 23 6.064 -7.612 -1.546 194 1HG1 VAL 23 1HG1 VAL 23 5.922 -8.364 0.715 195 2HG1 VAL 23 2HG1 VAL 23 7.622 -8.894 0.717 196 3HG1 VAL 23 3HG1 VAL 23 7.230 -7.158 0.654 197 1HG2 VAL 23 1HG2 VAL 23 9.019 -7.813 -1.111 198 2HG2 VAL 23 2HG2 VAL 23 8.385 -8.067 -2.754 199 3HG2 VAL 23 3HG2 VAL 23 8.062 -6.538 -1.902 200 H ALA 24 H ALA 24 4.152 -9.991 -1.315 201 HA ALA 24 HA ALA 24 4.350 -11.197 1.252 202 1HB ALA 24 1HB ALA 24 1.924 -11.307 -0.546 203 2HB ALA 24 2HB ALA 24 2.007 -11.120 1.222 204 3HB ALA 24 3HB ALA 24 2.454 -9.762 0.162 205 H GLN 25 H GLN 25 3.570 -12.377 -2.087 206 HA GLN 25 HA GLN 25 3.134 -14.994 -1.351 207 1HB GLN 25 1HB GLN 25 3.139 -15.471 -3.660 208 2HB GLN 25 2HB GLN 25 2.700 -13.775 -3.605 209 1HG GLN 25 1HG GLN 25 4.409 -13.479 -5.090 210 2HG GLN 25 2HG GLN 25 5.454 -13.590 -3.688 211 1HE2 GLN 25 1HE2 GLN 25 4.514 -14.958 -6.639 212 2HE2 GLN 25 2HE2 GLN 25 5.458 -16.410 -6.605 213 H GLU 26 H GLU 26 6.057 -13.135 -1.394 214 HA GLU 26 HA GLU 26 7.719 -15.453 -1.752 215 1HB GLU 26 1HB GLU 26 8.063 -12.526 -1.809 216 2HB GLU 26 2HB GLU 26 9.360 -13.330 -0.947 217 1HG GLU 26 1HG GLU 26 9.165 -14.993 -3.107 218 2HG GLU 26 2HG GLU 26 8.607 -13.504 -3.843 219 H ASN 27 H ASN 27 5.969 -13.981 0.768 220 HA ASN 27 HA ASN 27 7.829 -15.104 2.714 221 1HB ASN 27 1HB ASN 27 6.198 -12.581 2.692 222 2HB ASN 27 2HB ASN 27 6.244 -13.435 4.222 223 1HD2 ASN 27 1HD2 ASN 27 7.714 -11.158 2.357 224 2HD2 ASN 27 2HD2 ASN 27 9.298 -11.120 3.057 225 H ASN 28 H ASN 28 5.019 -15.652 1.034 226 HA ASN 28 HA ASN 28 3.293 -16.938 1.292 227 1HB ASN 28 1HB ASN 28 5.180 -18.232 2.779 228 2HB ASN 28 2HB ASN 28 4.031 -17.889 4.057 229 1HD2 ASN 28 1HD2 ASN 28 4.735 -19.703 1.222 230 2HD2 ASN 28 2HD2 ASN 28 3.337 -20.725 1.199 231 H ILE 29 H ILE 29 3.026 -14.233 2.098 232 HA ILE 29 HA ILE 29 1.534 -14.337 4.610 233 HB ILE 29 HB ILE 29 2.372 -11.921 3.009 234 1HG1 ILE 29 1HG1 ILE 29 3.823 -13.199 5.346 235 2HG1 ILE 29 2HG1 ILE 29 4.334 -13.299 3.672 236 1HG2 ILE 29 1HG2 ILE 29 0.813 -12.345 5.439 237 2HG2 ILE 29 2HG2 ILE 29 2.198 -11.255 5.692 238 3HG2 ILE 29 3HG2 ILE 29 0.998 -10.891 4.428 239 1HD1 ILE 29 1HD1 ILE 29 5.101 -11.315 5.437 240 2HD1 ILE 29 2HD1 ILE 29 5.158 -11.169 3.664 241 3HD1 ILE 29 3HD1 ILE 29 3.763 -10.529 4.565 242 H GLU 30 H GLU 30 -0.667 -13.879 4.723 243 HA GLU 30 HA GLU 30 -1.939 -13.696 2.105 244 1HB GLU 30 1HB GLU 30 -2.328 -15.531 4.270 245 2HB GLU 30 2HB GLU 30 -3.774 -14.545 4.178 246 1HG GLU 30 1HG GLU 30 -4.027 -15.065 1.774 247 2HG GLU 30 2HG GLU 30 -2.514 -15.950 1.775 248 H ASN 31 H ASN 31 -0.974 -11.747 4.523 249 HA ASN 31 HA ASN 31 -3.170 -9.959 4.049 250 1HB ASN 31 1HB ASN 31 -2.525 -11.184 6.725 251 2HB ASN 31 2HB ASN 31 -2.884 -9.469 6.725 252 1HD2 ASN 31 1HD2 ASN 31 -4.105 -12.635 6.538 253 2HD2 ASN 31 2HD2 ASN 31 -5.783 -12.285 6.290 254 HA PRO 32 HA PRO 32 1.083 -8.214 4.336 255 1HB PRO 32 1HB PRO 32 1.332 -7.305 1.771 256 2HB PRO 32 2HB PRO 32 1.947 -8.858 2.301 257 1HG PRO 32 1HG PRO 32 -0.449 -8.271 0.672 258 2HG PRO 32 2HG PRO 32 0.411 -9.787 0.853 259 1HD PRO 32 1HD PRO 32 -2.079 -9.069 2.082 260 2HD PRO 32 2HD PRO 32 -1.162 -10.537 2.353 261 H ILE 33 H ILE 33 1.257 -6.356 5.403 262 HA ILE 33 HA ILE 33 -0.763 -4.369 4.695 263 HB ILE 33 HB ILE 33 0.869 -4.946 7.140 264 1HG1 ILE 33 1HG1 ILE 33 -1.885 -4.208 7.559 265 2HG1 ILE 33 2HG1 ILE 33 -1.798 -5.434 6.310 266 1HG2 ILE 33 1HG2 ILE 33 1.225 -2.748 7.406 267 2HG2 ILE 33 2HG2 ILE 33 0.010 -2.296 6.186 268 3HG2 ILE 33 3HG2 ILE 33 -0.500 -2.693 7.844 269 1HD1 ILE 33 1HD1 ILE 33 -0.164 -5.765 8.839 270 2HD1 ILE 33 2HD1 ILE 33 -1.896 -6.175 8.834 271 3HD1 ILE 33 3HD1 ILE 33 -0.780 -7.015 7.731 272 H LEU 34 H LEU 34 -0.048 -3.188 2.966 273 HA LEU 34 HA LEU 34 2.749 -2.405 2.917 274 1HB LEU 34 1HB LEU 34 2.229 -3.058 0.821 275 2HB LEU 34 2HB LEU 34 0.536 -2.633 0.972 276 HG LEU 34 HG LEU 34 1.379 -0.169 0.874 277 1HD1 LEU 34 1HD1 LEU 34 3.473 0.313 0.160 278 2HD1 LEU 34 2HD1 LEU 34 3.838 -1.231 0.969 279 3HD1 LEU 34 3HD1 LEU 34 3.618 -1.181 -0.796 280 1HD2 LEU 34 1HD2 LEU 34 1.773 -1.331 -1.799 281 2HD2 LEU 34 2HD2 LEU 34 0.303 -1.888 -0.962 282 3HD2 LEU 34 3HD2 LEU 34 0.577 -0.147 -1.217 283 H ARG 35 H ARG 35 3.378 -0.606 3.968 284 HA ARG 35 HA ARG 35 1.341 1.411 4.393 285 1HB ARG 35 1HB ARG 35 2.664 2.176 6.258 286 2HB ARG 35 2HB ARG 35 2.687 0.426 6.348 287 1HG ARG 35 1HG ARG 35 4.887 0.638 4.886 288 2HG ARG 35 2HG ARG 35 4.893 2.299 5.443 289 1HD ARG 35 1HD ARG 35 4.411 0.329 7.614 290 2HD ARG 35 2HD ARG 35 5.968 0.139 6.832 291 HE ARG 35 HE ARG 35 5.468 2.930 7.395 292 1HH1 ARG 35 2HH2 ARG 35 6.383 -0.092 8.948 293 2HH1 ARG 35 1HH2 ARG 35 7.241 0.682 10.238 294 1HH2 ARG 35 2HH1 ARG 35 6.601 3.952 9.096 295 2HH2 ARG 35 1HH1 ARG 35 7.366 2.998 10.323 296 H ILE 36 H ILE 36 1.414 3.291 3.193 297 HA ILE 36 HA ILE 36 3.751 3.720 1.531 298 HB ILE 36 HB ILE 36 0.920 4.663 1.560 299 1HG1 ILE 36 1HG1 ILE 36 1.534 4.155 -1.008 300 2HG1 ILE 36 2HG1 ILE 36 2.744 3.144 -0.242 301 1HG2 ILE 36 1HG2 ILE 36 3.130 6.051 0.019 302 2HG2 ILE 36 2HG2 ILE 36 1.384 6.375 -0.097 303 3HG2 ILE 36 3HG2 ILE 36 2.256 6.728 1.414 304 1HD1 ILE 36 1HD1 ILE 36 -0.277 3.011 0.072 305 2HD1 ILE 36 2HD1 ILE 36 0.836 1.733 -0.474 306 3HD1 ILE 36 3HD1 ILE 36 0.818 2.227 1.236 307 H ARG 37 H ARG 37 5.434 4.777 2.441 308 HA ARG 37 HA ARG 37 4.718 7.070 4.085 309 1HB ARG 37 1HB ARG 37 6.551 6.614 5.572 310 2HB ARG 37 2HB ARG 37 5.764 5.067 5.328 311 1HG ARG 37 1HG ARG 37 7.558 5.029 3.246 312 2HG ARG 37 2HG ARG 37 8.450 5.999 4.401 313 1HD ARG 37 1HD ARG 37 7.183 3.645 5.662 314 2HD ARG 37 2HD ARG 37 8.289 3.195 4.380 315 HE ARG 37 HE ARG 37 9.558 5.195 5.977 316 1HH1 ARG 37 2HH2 ARG 37 8.502 1.847 6.214 317 2HH1 ARG 37 1HH2 ARG 37 9.699 1.419 7.390 318 1HH2 ARG 37 2HH1 ARG 37 11.138 4.631 7.529 319 2HH2 ARG 37 1HH1 ARG 37 11.208 3.013 8.143 320 H VAL 38 H VAL 38 6.335 8.881 4.014 321 HA VAL 38 HA VAL 38 7.312 9.219 1.348 322 HB VAL 38 HB VAL 38 7.497 10.944 3.825 323 1HG1 VAL 38 1HG1 VAL 38 9.185 11.788 2.463 324 2HG1 VAL 38 2HG1 VAL 38 8.311 11.402 0.961 325 3HG1 VAL 38 3HG1 VAL 38 7.776 12.762 1.977 326 1HG2 VAL 38 1HG2 VAL 38 5.685 11.536 1.514 327 2HG2 VAL 38 2HG2 VAL 38 5.200 10.284 2.682 328 3HG2 VAL 38 3HG2 VAL 38 5.512 11.946 3.237 329 H VAL 39 H VAL 39 9.575 9.823 0.835 330 HA VAL 39 HA VAL 39 11.475 8.646 2.735 331 HB VAL 39 HB VAL 39 11.316 8.202 -0.251 332 1HG1 VAL 39 1HG1 VAL 39 13.449 7.492 -0.297 333 2HG1 VAL 39 2HG1 VAL 39 13.638 8.413 1.215 334 3HG1 VAL 39 3HG1 VAL 39 13.308 6.664 1.272 335 1HG2 VAL 39 1HG2 VAL 39 11.499 5.803 1.326 336 2HG2 VAL 39 2HG2 VAL 39 10.154 6.803 1.925 337 3HG2 VAL 39 3HG2 VAL 39 10.211 6.322 0.212 338 HA PRO 40 HA PRO 40 13.391 12.478 2.025 339 1HB PRO 40 1HB PRO 40 15.634 12.091 3.538 340 2HB PRO 40 2HB PRO 40 14.100 12.605 4.212 341 1HG PRO 40 1HG PRO 40 15.386 9.946 4.346 342 2HG PRO 40 2HG PRO 40 14.099 10.595 5.343 343 1HD PRO 40 1HD PRO 40 13.826 8.705 3.202 344 2HD PRO 40 2HD PRO 40 12.529 9.440 4.123 345 H GLY 41 H GLY 41 13.462 11.614 -0.282 346 1HA GLY 41 1HA GLY 41 16.316 11.598 -0.996 347 2HA GLY 41 2HA GLY 41 15.277 10.314 -1.582 348 H GLY 42 H GLY 42 12.968 11.344 -2.416 349 1HA GLY 42 1HA GLY 42 13.448 12.537 -4.832 350 2HA GLY 42 2HA GLY 42 11.926 12.602 -3.964 351 H CYS 43 H CYS 43 14.571 14.424 -5.169 352 HA CYS 43 HA CYS 43 14.442 16.540 -3.272 353 1HB CYS 43 1HB CYS 43 16.393 15.842 -4.881 354 2HB CYS 43 2HB CYS 43 15.564 16.853 -6.048 355 HG CYS 43 HG CYS 43 15.257 18.592 -3.653 356 H SER 44 H SER 44 13.088 15.769 -6.527 357 HA SER 44 HA SER 44 11.654 18.276 -6.485 358 1HB SER 44 1HB SER 44 11.912 16.105 -8.611 359 2HB SER 44 2HB SER 44 10.947 17.554 -8.815 360 HG SER 44 HG SER 44 13.752 17.231 -8.851 361 H GLY 45 H GLY 45 11.154 14.706 -6.470 362 1HA GLY 45 1HA GLY 45 8.404 15.183 -5.515 363 2HA GLY 45 2HA GLY 45 8.714 14.050 -6.816 364 H PHE 46 H PHE 46 8.569 14.490 -3.404 365 HA PHE 46 HA PHE 46 10.384 12.486 -2.613 366 1HB PHE 46 1HB PHE 46 7.825 13.669 -1.378 367 2HB PHE 46 2HB PHE 46 8.959 12.683 -0.478 368 HD1 PHE 46 1HD PHE 46 11.511 13.584 -0.744 369 HD2 PHE 46 2HD PHE 46 7.996 15.939 -1.070 370 HE1 PHE 46 1HE PHE 46 12.832 15.636 -0.160 371 HE2 PHE 46 2HE PHE 46 9.317 17.991 -0.485 372 HZ PHE 46 HZ PHE 46 11.720 17.815 -0.037 373 H GLN 47 H GLN 47 9.995 10.628 -3.961 374 HA GLN 47 HA GLN 47 7.422 9.506 -4.108 375 1HB GLN 47 1HB GLN 47 8.786 7.478 -4.993 376 2HB GLN 47 2HB GLN 47 8.843 8.969 -5.912 377 1HG GLN 47 1HG GLN 47 10.906 8.734 -3.765 378 2HG GLN 47 2HG GLN 47 11.069 7.582 -5.076 379 1HE2 GLN 47 1HE2 GLN 47 10.635 8.612 -7.317 380 2HE2 GLN 47 2HE2 GLN 47 11.482 10.085 -7.653 381 H TYR 48 H TYR 48 6.489 7.774 -2.956 382 HA TYR 48 HA TYR 48 7.629 7.334 -0.346 383 1HB TYR 48 1HB TYR 48 5.134 6.493 -1.935 384 2HB TYR 48 2HB TYR 48 5.411 5.891 -0.312 385 HD1 TYR 48 1HD TYR 48 5.478 9.219 -2.066 386 HD2 TYR 48 2HD TYR 48 4.266 6.983 1.374 387 HE1 TYR 48 1HE TYR 48 4.370 11.293 -1.100 388 HE2 TYR 48 2HE TYR 48 3.161 9.064 2.329 389 HH TYR 48 HH TYR 48 3.803 12.104 1.239 390 H ALA 49 H ALA 49 8.291 5.328 0.531 391 HA ALA 49 HA ALA 49 9.196 3.452 -1.497 392 1HB ALA 49 1HB ALA 49 9.860 4.059 1.383 393 2HB ALA 49 2HB ALA 49 10.301 2.481 0.687 394 3HB ALA 49 3HB ALA 49 10.936 3.980 -0.033 395 H MET 50 H MET 50 8.909 1.080 -1.104 396 HA MET 50 HA MET 50 6.266 0.653 0.047 397 1HB MET 50 1HB MET 50 6.536 0.158 -2.401 398 2HB MET 50 2HB MET 50 7.855 -0.938 -2.043 399 1HG MET 50 1HG MET 50 5.524 -1.649 -0.435 400 2HG MET 50 2HG MET 50 5.070 -1.552 -2.125 401 1HE MET 50 1HE MET 50 5.190 -4.413 -0.337 402 2HE MET 50 2HE MET 50 6.856 -5.015 -0.164 403 3HE MET 50 3HE MET 50 6.383 -3.476 0.594 404 H GLY 51 H GLY 51 5.883 -1.200 1.408 405 1HA GLY 51 1HA GLY 51 7.874 -3.099 2.037 406 2HA GLY 51 2HA GLY 51 7.917 -1.805 3.218 407 H PHE 52 H PHE 52 7.269 -4.185 4.272 408 HA PHE 52 HA PHE 52 4.340 -4.106 4.481 409 1HB PHE 52 1HB PHE 52 5.139 -6.580 5.431 410 2HB PHE 52 2HB PHE 52 4.697 -6.301 3.759 411 HD1 PHE 52 1HD PHE 52 6.659 -5.500 2.200 412 HD2 PHE 52 2HD PHE 52 7.211 -7.498 5.903 413 HE1 PHE 52 1HE PHE 52 8.954 -6.212 1.474 414 HE2 PHE 52 2HE PHE 52 9.506 -8.210 5.176 415 HZ PHE 52 HZ PHE 52 10.350 -7.559 2.970 416 H ASP 53 H ASP 53 3.522 -3.568 6.453 417 HA ASP 53 HA ASP 53 5.404 -3.195 8.574 418 1HB ASP 53 1HB ASP 53 3.043 -1.938 7.774 419 2HB ASP 53 2HB ASP 53 2.516 -2.855 9.172 420 H ASP 54 H ASP 54 4.308 -3.841 10.917 421 HA ASP 54 HA ASP 54 3.964 -6.679 10.725 422 1HB ASP 54 1HB ASP 54 5.129 -4.908 12.581 423 2HB ASP 54 2HB ASP 54 3.686 -5.467 13.402 424 H THR 55 H THR 55 2.167 -3.690 11.515 425 HA THR 55 HA THR 55 -0.338 -4.988 11.227 426 HB THR 55 HB THR 55 0.132 -5.815 13.491 427 HG1 THR 55 1HG THR 55 -1.444 -3.356 13.672 428 1HG2 THR 55 1HG2 THR 55 1.779 -4.313 14.409 429 2HG2 THR 55 2HG2 THR 55 0.793 -2.882 14.022 430 3HG2 THR 55 3HG2 THR 55 0.293 -3.980 15.331 431 H VAL 56 H VAL 56 -2.173 -3.362 11.857 432 HA VAL 56 HA VAL 56 -1.426 -0.910 10.557 433 HB VAL 56 HB VAL 56 -3.886 -2.379 11.269 434 1HG1 VAL 56 1HG1 VAL 56 -5.285 -0.299 10.899 435 2HG1 VAL 56 2HG1 VAL 56 -4.452 -0.398 12.469 436 3HG1 VAL 56 3HG1 VAL 56 -3.806 0.649 11.184 437 1HG2 VAL 56 1HG2 VAL 56 -4.488 -1.941 9.037 438 2HG2 VAL 56 2HG2 VAL 56 -3.405 -0.534 8.925 439 3HG2 VAL 56 3HG2 VAL 56 -2.725 -2.178 8.982 440 H GLU 57 H GLU 57 -1.903 1.242 11.468 441 HA GLU 57 HA GLU 57 -1.089 1.281 14.215 442 1HB GLU 57 1HB GLU 57 -1.724 3.722 12.530 443 2HB GLU 57 2HB GLU 57 -0.600 3.588 13.868 444 1HG GLU 57 1HG GLU 57 0.812 2.017 12.479 445 2HG GLU 57 2HG GLU 57 -0.286 2.259 11.135 446 H GLU 58 H GLU 58 -2.215 3.130 15.625 447 HA GLU 58 HA GLU 58 -4.966 2.353 15.709 448 1HB GLU 58 1HB GLU 58 -3.168 2.809 17.669 449 2HB GLU 58 2HB GLU 58 -3.841 4.424 17.574 450 1HG GLU 58 1HG GLU 58 -6.039 2.555 17.493 451 2HG GLU 58 2HG GLU 58 -4.985 2.078 18.810 452 H GLY 59 H GLY 59 -4.014 4.008 13.418 453 1HA GLY 59 1HA GLY 59 -6.145 5.749 13.146 454 2HA GLY 59 2HA GLY 59 -4.828 6.705 13.796 455 H ASP 60 H ASP 60 -4.988 3.943 11.428 456 HA ASP 60 HA ASP 60 -3.475 5.664 9.625 457 1HB ASP 60 1HB ASP 60 -2.748 3.189 10.631 458 2HB ASP 60 2HB ASP 60 -3.515 2.724 9.125 459 H HIS 61 H HIS 61 -3.882 4.964 7.194 460 HA HIS 61 HA HIS 61 -6.713 4.935 6.814 461 1HB HIS 61 1HB HIS 61 -5.488 6.396 5.421 462 2HB HIS 61 2HB HIS 61 -4.321 5.161 4.991 463 HD1 HIS 61 1HD HIS 61 -8.159 5.161 4.746 464 HD2 HIS 61 2HD HIS 61 -4.754 4.623 2.356 465 HE1 HIS 61 1HE HIS 61 -9.008 4.549 2.419 466 H VAL 62 H VAL 62 -7.930 3.121 6.729 467 HA VAL 62 HA VAL 62 -6.560 0.608 6.177 468 HB VAL 62 HB VAL 62 -8.739 1.498 7.847 469 1HG1 VAL 62 1HG1 VAL 62 -10.360 0.702 6.368 470 2HG1 VAL 62 2HG1 VAL 62 -9.344 -0.654 5.824 471 3HG1 VAL 62 3HG1 VAL 62 -10.082 -0.689 7.443 472 1HG2 VAL 62 1HG2 VAL 62 -8.285 -0.609 9.009 473 2HG2 VAL 62 2HG2 VAL 62 -7.297 -1.167 7.638 474 3HG2 VAL 62 3HG2 VAL 62 -6.768 0.231 8.605 475 H PHE 63 H PHE 63 -6.308 0.411 3.969 476 HA PHE 63 HA PHE 63 -8.772 0.724 2.401 477 1HB PHE 63 1HB PHE 63 -6.208 1.927 2.189 478 2HB PHE 63 2HB PHE 63 -6.138 0.635 1.008 479 HD1 PHE 63 1HD PHE 63 -9.132 2.624 1.929 480 HD2 PHE 63 2HD PHE 63 -6.161 1.850 -1.000 481 HE1 PHE 63 1HE PHE 63 -10.378 4.056 0.287 482 HE2 PHE 63 2HE PHE 63 -7.406 3.283 -2.642 483 HZ PHE 63 HZ PHE 63 -9.500 4.369 -1.979 484 H GLU 64 H GLU 64 -9.640 -1.257 1.990 485 HA GLU 64 HA GLU 64 -7.969 -3.551 2.008 486 1HB GLU 64 1HB GLU 64 -10.914 -3.249 1.271 487 2HB GLU 64 2HB GLU 64 -10.093 -4.774 1.536 488 1HG GLU 64 1HG GLU 64 -9.492 -3.942 3.881 489 2HG GLU 64 2HG GLU 64 -10.528 -2.559 3.590 490 H TYR 65 H TYR 65 -6.932 -4.479 0.286 491 HA TYR 65 HA TYR 65 -7.679 -3.482 -2.375 492 1HB TYR 65 1HB TYR 65 -5.181 -4.278 -0.865 493 2HB TYR 65 2HB TYR 65 -5.202 -4.732 -2.557 494 HD1 TYR 65 1HD TYR 65 -4.634 -2.075 -0.212 495 HD2 TYR 65 2HD TYR 65 -5.603 -2.882 -4.300 496 HE1 TYR 65 1HE TYR 65 -3.892 0.269 -0.858 497 HE2 TYR 65 2HE TYR 65 -4.858 -0.535 -4.932 498 HH TYR 65 HH TYR 65 -4.585 1.596 -3.927 499 H ASP 66 H ASP 66 -6.361 -5.403 -3.932 500 HA ASP 66 HA ASP 66 -8.294 -7.399 -3.959 501 1HB ASP 66 1HB ASP 66 -6.848 -6.536 -5.897 502 2HB ASP 66 2HB ASP 66 -5.530 -7.492 -5.249 503 H GLY 67 H GLY 67 -7.930 -8.021 -1.545 504 1HA GLY 67 1HA GLY 67 -7.385 -9.745 -0.174 505 2HA GLY 67 2HA GLY 67 -6.363 -10.427 -1.423 506 H VAL 68 H VAL 68 -6.059 -7.028 -0.366 507 HA VAL 68 HA VAL 68 -3.837 -7.686 1.369 508 HB VAL 68 HB VAL 68 -3.509 -6.033 -1.143 509 1HG1 VAL 68 1HG1 VAL 68 -1.536 -6.652 1.082 510 2HG1 VAL 68 2HG1 VAL 68 -1.143 -5.834 -0.450 511 3HG1 VAL 68 3HG1 VAL 68 -2.253 -5.066 0.711 512 1HG2 VAL 68 1HG2 VAL 68 -2.512 -8.778 -0.350 513 2HG2 VAL 68 2HG2 VAL 68 -3.438 -8.306 -1.795 514 3HG2 VAL 68 3HG2 VAL 68 -1.737 -7.810 -1.627 515 H LYS 69 H LYS 69 -3.057 -5.698 2.539 516 HA LYS 69 HA LYS 69 -5.166 -3.655 2.587 517 1HB LYS 69 1HB LYS 69 -4.953 -5.493 4.527 518 2HB LYS 69 2HB LYS 69 -3.751 -4.364 5.117 519 1HG LYS 69 1HG LYS 69 -5.655 -2.555 4.579 520 2HG LYS 69 2HG LYS 69 -6.716 -3.943 4.718 521 1HD LYS 69 1HD LYS 69 -4.653 -3.586 6.878 522 2HD LYS 69 2HD LYS 69 -5.984 -2.446 6.857 523 1HE LYS 69 1HE LYS 69 -7.302 -4.868 6.476 524 2HE LYS 69 2HE LYS 69 -5.988 -5.337 7.536 525 1HZ LYS 69 1HZ LYS 69 -8.166 -3.501 8.042 526 2HZ LYS 69 2HZ LYS 69 -7.489 -4.610 9.032 527 3HZ LYS 69 3HZ LYS 69 -6.739 -3.184 8.769 528 H VAL 70 H VAL 70 -4.423 -1.516 3.364 529 HA VAL 70 HA VAL 70 -1.529 -1.172 3.233 530 HB VAL 70 HB VAL 70 -3.568 -0.077 1.340 531 1HG1 VAL 70 1HG1 VAL 70 -1.016 1.362 2.141 532 2HG1 VAL 70 2HG1 VAL 70 -2.019 1.762 0.726 533 3HG1 VAL 70 3HG1 VAL 70 -2.684 1.941 2.368 534 1HG2 VAL 70 1HG2 VAL 70 -1.392 -1.850 1.173 535 2HG2 VAL 70 2HG2 VAL 70 -2.345 -1.175 -0.170 536 3HG2 VAL 70 3HG2 VAL 70 -0.855 -0.359 0.361 537 H VAL 71 H VAL 71 -0.834 0.921 4.154 538 HA VAL 71 HA VAL 71 -2.886 2.355 5.620 539 HB VAL 71 HB VAL 71 -2.205 1.845 7.715 540 1HG1 VAL 71 1HG1 VAL 71 -1.639 -0.580 7.916 541 2HG1 VAL 71 2HG1 VAL 71 -2.995 -0.251 6.811 542 3HG1 VAL 71 3HG1 VAL 71 -1.383 -0.627 6.155 543 1HG2 VAL 71 1HG2 VAL 71 0.083 1.041 8.319 544 2HG2 VAL 71 2HG2 VAL 71 0.545 1.194 6.607 545 3HG2 VAL 71 3HG2 VAL 71 0.069 2.638 7.533 546 H ILE 72 H ILE 72 -2.536 4.407 4.945 547 HA ILE 72 HA ILE 72 0.210 5.186 4.355 548 HB ILE 72 HB ILE 72 -2.240 6.841 3.845 549 1HG1 ILE 72 1HG1 ILE 72 -1.207 4.762 1.907 550 2HG1 ILE 72 2HG1 ILE 72 -2.532 4.443 3.008 551 1HG2 ILE 72 1HG2 ILE 72 0.588 6.963 3.191 552 2HG2 ILE 72 2HG2 ILE 72 -0.432 7.034 1.734 553 3HG2 ILE 72 3HG2 ILE 72 -0.677 8.208 3.050 554 1HD1 ILE 72 1HD1 ILE 72 -3.352 5.211 0.788 555 2HD1 ILE 72 2HD1 ILE 72 -3.808 6.352 2.076 556 3HD1 ILE 72 3HD1 ILE 72 -2.451 6.733 0.988 557 H ASP 73 H ASP 73 0.921 7.402 5.091 558 HA ASP 73 HA ASP 73 0.475 7.540 7.880 559 1HB ASP 73 1HB ASP 73 2.141 9.042 5.853 560 2HB ASP 73 2HB ASP 73 1.917 9.757 7.437 561 HA PRO 74 HA PRO 74 -2.578 10.687 7.726 562 1HB PRO 74 1HB PRO 74 -2.327 11.812 10.204 563 2HB PRO 74 2HB PRO 74 -3.194 10.317 9.914 564 1HG PRO 74 1HG PRO 74 -0.526 10.708 11.127 565 2HG PRO 74 2HG PRO 74 -1.576 9.307 11.211 566 1HD PRO 74 1HD PRO 74 0.766 9.600 9.582 567 2HD PRO 74 2HD PRO 74 -0.349 8.248 9.582 568 H PHE 75 H PHE 75 0.700 11.506 8.277 569 HA PHE 75 HA PHE 75 0.118 14.307 7.753 570 1HB PHE 75 1HB PHE 75 2.241 12.596 8.961 571 2HB PHE 75 2HB PHE 75 2.911 13.836 7.921 572 HD1 PHE 75 1HD PHE 75 1.534 16.217 8.329 573 HD2 PHE 75 2HD PHE 75 2.251 13.161 11.185 574 HE1 PHE 75 1HE PHE 75 1.306 17.895 10.182 575 HE2 PHE 75 2HE PHE 75 2.022 14.838 13.038 576 HZ PHE 75 HZ PHE 75 1.553 17.185 12.514 577 H SER 76 H SER 76 1.285 11.373 6.186 578 HA SER 76 HA SER 76 2.460 12.903 4.047 579 1HB SER 76 1HB SER 76 2.128 9.894 4.037 580 2HB SER 76 2HB SER 76 3.379 10.858 3.277 581 HG SER 76 HG SER 76 3.315 11.220 6.039 582 H MET 77 H MET 77 -0.501 11.194 4.919 583 HA MET 77 HA MET 77 -1.443 10.563 2.416 584 1HB MET 77 1HB MET 77 -2.526 11.008 5.161 585 2HB MET 77 2HB MET 77 -3.713 11.280 3.900 586 1HG MET 77 1HG MET 77 -2.079 8.738 4.346 587 2HG MET 77 2HG MET 77 -3.806 8.926 4.574 588 1HE MET 77 1HE MET 77 -3.936 11.098 1.919 589 2HE MET 77 2HE MET 77 -4.723 9.977 0.783 590 3HE MET 77 3HE MET 77 -5.270 10.060 2.475 591 HA PRO 78 HA PRO 78 -3.266 14.955 2.384 592 1HB PRO 78 1HB PRO 78 -2.264 16.826 4.105 593 2HB PRO 78 2HB PRO 78 -3.727 15.916 4.424 594 1HG PRO 78 1HG PRO 78 -1.041 15.584 5.613 595 2HG PRO 78 2HG PRO 78 -2.582 14.997 6.203 596 1HD PRO 78 1HD PRO 78 -0.554 13.461 4.879 597 2HD PRO 78 2HD PRO 78 -2.142 12.902 5.365 598 H TYR 79 H TYR 79 -0.234 13.891 2.159 599 HA TYR 79 HA TYR 79 0.755 16.343 0.913 600 1HB TYR 79 1HB TYR 79 1.783 14.196 2.513 601 2HB TYR 79 2HB TYR 79 2.424 13.887 0.912 602 HD1 TYR 79 1HD TYR 79 2.753 15.838 3.912 603 HD2 TYR 79 2HD TYR 79 3.743 15.758 -0.249 604 HE1 TYR 79 1HE TYR 79 4.589 17.551 4.309 605 HE2 TYR 79 2HE TYR 79 5.576 17.471 0.162 606 HH TYR 79 HH TYR 79 5.868 19.102 3.211 607 H VAL 80 H VAL 80 -0.644 13.220 0.179 608 HA VAL 80 HA VAL 80 -0.228 13.783 -2.649 609 HB VAL 80 HB VAL 80 0.614 11.671 -3.170 610 1HG1 VAL 80 1HG1 VAL 80 2.718 11.652 -2.159 611 2HG1 VAL 80 2HG1 VAL 80 2.165 13.324 -1.899 612 3HG1 VAL 80 3HG1 VAL 80 2.074 12.140 -0.573 613 1HG2 VAL 80 1HG2 VAL 80 -0.753 10.844 -0.762 614 2HG2 VAL 80 2HG2 VAL 80 -0.168 9.861 -2.126 615 3HG2 VAL 80 3HG2 VAL 80 0.917 10.228 -0.764 616 H ASN 81 H ASN 81 -2.508 14.356 -1.135 617 HA ASN 81 HA ASN 81 -4.331 12.439 -0.741 618 1HB ASN 81 1HB ASN 81 -6.023 14.162 -1.011 619 2HB ASN 81 2HB ASN 81 -4.589 14.965 -0.402 620 1HD2 ASN 81 1HD2 ASN 81 -3.147 15.983 -1.952 621 2HD2 ASN 81 2HD2 ASN 81 -3.791 16.711 -3.386 622 H GLY 82 H GLY 82 -5.756 11.190 -2.064 623 1HA GLY 82 1HA GLY 82 -6.189 9.980 -3.941 624 2HA GLY 82 2HA GLY 82 -6.707 11.549 -4.524 625 H ALA 83 H ALA 83 -3.304 10.778 -3.713 626 HA ALA 83 HA ALA 83 -2.491 11.587 -6.329 627 1HB ALA 83 1HB ALA 83 -1.185 12.156 -4.339 628 2HB ALA 83 2HB ALA 83 -0.974 10.431 -3.955 629 3HB ALA 83 3HB ALA 83 -0.222 11.116 -5.415 630 H GLU 84 H GLU 84 -0.544 9.996 -7.230 631 HA GLU 84 HA GLU 84 -1.702 7.326 -7.294 632 1HB GLU 84 1HB GLU 84 -2.221 8.878 -9.350 633 2HB GLU 84 2HB GLU 84 -0.546 8.604 -9.788 634 1HG GLU 84 1HG GLU 84 -0.946 6.124 -9.712 635 2HG GLU 84 2HG GLU 84 -2.627 6.417 -9.314 636 H LEU 85 H LEU 85 -0.177 6.006 -6.399 637 HA LEU 85 HA LEU 85 2.624 6.727 -6.766 638 1HB LEU 85 1HB LEU 85 2.465 6.326 -4.570 639 2HB LEU 85 2HB LEU 85 1.033 5.329 -4.733 640 HG LEU 85 HG LEU 85 2.473 3.438 -5.489 641 1HD1 LEU 85 1HD1 LEU 85 4.339 4.960 -6.293 642 2HD1 LEU 85 2HD1 LEU 85 4.837 5.090 -4.589 643 3HD1 LEU 85 3HD1 LEU 85 4.830 3.503 -5.396 644 1HD2 LEU 85 1HD2 LEU 85 3.644 4.183 -2.871 645 2HD2 LEU 85 2HD2 LEU 85 1.868 4.212 -2.978 646 3HD2 LEU 85 3HD2 LEU 85 2.759 2.721 -3.367 647 H ASP 86 H ASP 86 3.473 5.996 -8.651 648 HA ASP 86 HA ASP 86 2.539 3.428 -9.599 649 1HB ASP 86 1HB ASP 86 2.894 5.692 -10.982 650 2HB ASP 86 2HB ASP 86 4.560 5.152 -11.049 651 H TYR 87 H TYR 87 3.727 1.787 -8.552 652 HA TYR 87 HA TYR 87 6.520 2.221 -7.947 653 1HB TYR 87 1HB TYR 87 4.554 0.981 -6.630 654 2HB TYR 87 2HB TYR 87 4.832 -0.334 -7.755 655 HD1 TYR 87 1HD TYR 87 6.818 -1.727 -7.602 656 HD2 TYR 87 2HD TYR 87 6.263 1.585 -4.950 657 HE1 TYR 87 1HE TYR 87 8.683 -2.599 -6.110 658 HE2 TYR 87 2HE TYR 87 8.130 0.701 -3.468 659 HH TYR 87 HH TYR 87 10.306 -1.574 -4.476 660 H VAL 88 H VAL 88 8.204 1.619 -9.217 661 HA VAL 88 HA VAL 88 7.588 0.135 -11.628 662 HB VAL 88 HB VAL 88 10.008 1.623 -10.610 663 1HG1 VAL 88 1HG1 VAL 88 9.731 -0.271 -12.907 664 2HG1 VAL 88 2HG1 VAL 88 10.688 1.210 -13.153 665 3HG1 VAL 88 3HG1 VAL 88 11.132 0.068 -11.862 666 1HG2 VAL 88 1HG2 VAL 88 8.721 2.324 -13.184 667 2HG2 VAL 88 2HG2 VAL 88 7.734 2.607 -11.730 668 3HG2 VAL 88 3HG2 VAL 88 9.335 3.370 -11.882 669 H VAL 89 H VAL 89 8.429 -1.905 -12.155 670 HA VAL 89 HA VAL 89 9.896 -3.234 -9.989 671 HB VAL 89 HB VAL 89 7.693 -4.484 -11.636 672 1HG1 VAL 89 1HG1 VAL 89 8.468 -6.405 -10.814 673 2HG1 VAL 89 2HG1 VAL 89 9.726 -5.540 -9.898 674 3HG1 VAL 89 3HG1 VAL 89 8.126 -5.818 -9.169 675 1HG2 VAL 89 1HG2 VAL 89 7.476 -3.629 -8.738 676 2HG2 VAL 89 2HG2 VAL 89 6.913 -2.621 -10.093 677 3HG2 VAL 89 3HG2 VAL 89 6.188 -4.222 -9.813 678 H ASP 90 H ASP 90 11.890 -3.685 -10.764 679 HA ASP 90 HA ASP 90 12.104 -5.179 -13.148 680 1HB ASP 90 1HB ASP 90 12.043 -2.522 -13.673 681 2HB ASP 90 2HB ASP 90 13.735 -2.648 -13.238 682 H PHE 91 H PHE 91 14.986 -4.120 -13.485 683 HA PHE 91 HA PHE 91 16.278 -5.875 -11.809 684 1HB PHE 91 1HB PHE 91 16.825 -3.723 -13.735 685 2HB PHE 91 2HB PHE 91 17.983 -3.623 -12.424 686 HD1 PHE 91 1HD PHE 91 19.287 -5.760 -11.838 687 HD2 PHE 91 2HD PHE 91 17.127 -5.274 -15.457 688 HE1 PHE 91 1HE PHE 91 20.640 -7.593 -12.891 689 HE2 PHE 91 2HE PHE 91 18.479 -7.107 -16.511 690 HZ PHE 91 HZ PHE 91 20.220 -8.244 -15.215 691 H MET 92 H MET 92 14.846 -2.822 -11.044 692 HA MET 92 HA MET 92 16.675 -2.245 -8.923 693 1HB MET 92 1HB MET 92 14.374 -0.970 -10.303 694 2HB MET 92 2HB MET 92 14.344 -0.690 -8.573 695 1HG MET 92 1HG MET 92 16.393 0.480 -8.581 696 2HG MET 92 2HG MET 92 16.959 -0.303 -10.042 697 1HE MET 92 1HE MET 92 15.714 1.508 -12.902 698 2HE MET 92 2HE MET 92 16.242 -0.035 -12.189 699 3HE MET 92 3HE MET 92 14.506 0.312 -12.374 700 H GLY 93 H GLY 93 14.667 -4.735 -9.196 701 1HA GLY 93 1HA GLY 93 13.377 -5.975 -7.826 702 2HA GLY 93 2HA GLY 93 14.449 -5.400 -6.564 703 H GLY 94 H GLY 94 12.550 -3.025 -8.366 704 1HA GLY 94 1HA GLY 94 10.285 -2.423 -7.753 705 2HA GLY 94 2HA GLY 94 10.665 -2.835 -6.093 706 H GLY 95 H GLY 95 10.265 -0.266 -8.186 707 1HA GLY 95 1HA GLY 95 12.195 1.434 -6.725 708 2HA GLY 95 2HA GLY 95 11.622 1.728 -8.355 709 H PHE 96 H PHE 96 11.269 3.881 -6.912 710 HA PHE 96 HA PHE 96 8.452 3.771 -6.100 711 1HB PHE 96 1HB PHE 96 10.582 5.650 -4.959 712 2HB PHE 96 2HB PHE 96 9.029 5.252 -4.251 713 HD1 PHE 96 1HD PHE 96 8.917 2.399 -4.157 714 HD2 PHE 96 2HD PHE 96 12.279 4.924 -3.586 715 HE1 PHE 96 1HE PHE 96 10.010 0.627 -2.755 716 HE2 PHE 96 2HE PHE 96 13.372 3.152 -2.184 717 HZ PHE 96 HZ PHE 96 12.224 1.024 -1.785 718 H THR 97 H THR 97 7.238 4.979 -7.470 719 HA THR 97 HA THR 97 8.345 7.537 -8.361 720 HB THR 97 HB THR 97 7.562 5.152 -10.038 721 HG1 THR 97 1HG THR 97 9.339 7.487 -10.145 722 1HG2 THR 97 1HG2 THR 97 7.581 7.194 -11.876 723 2HG2 THR 97 2HG2 THR 97 6.083 6.479 -11.236 724 3HG2 THR 97 3HG2 THR 97 6.720 7.985 -10.534 725 H ILE 98 H ILE 98 6.963 9.178 -8.083 726 HA ILE 98 HA ILE 98 4.145 8.432 -7.709 727 HB ILE 98 HB ILE 98 5.742 10.616 -6.367 728 1HG1 ILE 98 1HG1 ILE 98 6.312 8.470 -5.442 729 2HG1 ILE 98 2HG1 ILE 98 5.291 9.327 -4.304 730 1HG2 ILE 98 1HG2 ILE 98 3.662 11.587 -6.516 731 2HG2 ILE 98 2HG2 ILE 98 2.805 10.027 -6.473 732 3HG2 ILE 98 3HG2 ILE 98 3.518 10.692 -4.984 733 1HD1 ILE 98 1HD1 ILE 98 3.299 8.060 -5.418 734 2HD1 ILE 98 2HD1 ILE 98 4.552 7.002 -6.111 735 3HD1 ILE 98 3HD1 ILE 98 4.378 7.138 -4.345 736 H ARG 99 H ARG 99 2.749 9.245 -9.178 737 HA ARG 99 HA ARG 99 3.665 11.606 -10.613 738 1HB ARG 99 1HB ARG 99 3.198 9.015 -11.688 739 2HB ARG 99 2HB ARG 99 1.798 9.954 -12.165 740 1HG ARG 99 1HG ARG 99 3.133 10.648 -13.892 741 2HG ARG 99 2HG ARG 99 3.785 11.765 -12.710 742 1HD ARG 99 1HD ARG 99 5.423 9.785 -12.092 743 2HD ARG 99 2HD ARG 99 4.951 9.121 -13.644 744 HE ARG 99 HE ARG 99 5.639 11.874 -14.017 745 1HH1 ARG 99 2HH2 ARG 99 7.162 8.794 -13.256 746 2HH1 ARG 99 1HH2 ARG 99 8.693 9.239 -13.934 747 1HH2 ARG 99 2HH1 ARG 99 7.658 12.461 -14.912 748 2HH2 ARG 99 1HH1 ARG 99 8.977 11.338 -14.882 749 H ASN 100 H ASN 100 2.375 13.183 -9.630 750 HA ASN 100 HA ASN 100 -0.211 12.633 -8.735 751 1HB ASN 100 1HB ASN 100 1.510 15.080 -9.105 752 2HB ASN 100 2HB ASN 100 -0.213 15.356 -8.944 753 1HD2 ASN 100 1HD2 ASN 100 0.233 16.429 -6.981 754 2HD2 ASN 100 2HD2 ASN 100 0.511 15.563 -5.507 755 HA PRO 101 HA PRO 101 -2.446 13.444 -12.420 756 1HB PRO 101 1HB PRO 101 -4.846 14.341 -11.471 757 2HB PRO 101 2HB PRO 101 -4.409 12.644 -11.521 758 1HG PRO 101 1HG PRO 101 -4.524 14.460 -9.191 759 2HG PRO 101 2HG PRO 101 -4.511 12.708 -9.218 760 1HD PRO 101 1HD PRO 101 -2.311 14.431 -8.570 761 2HD PRO 101 2HD PRO 101 -2.268 12.685 -8.710 Start of MODEL 18 1 H MET 1 H MET 1 -18.826 7.734 19.473 2 HA MET 1 HA MET 1 -19.736 5.039 19.243 3 1HB MET 1 1HB MET 1 -20.692 6.800 17.332 4 2HB MET 1 2HB MET 1 -19.188 6.312 16.576 5 1HG MET 1 1HG MET 1 -19.926 4.165 16.181 6 2HG MET 1 2HG MET 1 -20.747 4.050 17.724 7 1HE MET 1 1HE MET 1 -22.556 2.798 16.789 8 2HE MET 1 2HE MET 1 -23.449 3.992 17.762 9 3HE MET 1 3HE MET 1 -24.024 3.562 16.134 10 H GLN 2 H GLN 2 -18.076 3.614 18.281 11 HA GLN 2 HA GLN 2 -15.542 4.324 19.076 12 1HB GLN 2 1HB GLN 2 -16.691 2.117 17.368 13 2HB GLN 2 2HB GLN 2 -14.949 2.288 17.457 14 1HG GLN 2 1HG GLN 2 -15.956 2.532 20.139 15 2HG GLN 2 2HG GLN 2 -16.754 1.150 19.417 16 1HE2 GLN 2 1HE2 GLN 2 -15.773 -0.645 19.913 17 2HE2 GLN 2 2HE2 GLN 2 -14.066 -0.936 19.968 18 H GLU 3 H GLU 3 -14.389 6.016 18.227 19 HA GLU 3 HA GLU 3 -14.676 6.590 15.431 20 1HB GLU 3 1HB GLU 3 -13.681 7.993 17.844 21 2HB GLU 3 2HB GLU 3 -12.740 8.325 16.404 22 1HG GLU 3 1HG GLU 3 -14.647 9.161 15.208 23 2HG GLU 3 2HG GLU 3 -15.778 8.457 16.346 24 H GLN 4 H GLN 4 -13.330 5.818 13.860 25 HA GLN 4 HA GLN 4 -10.735 4.847 14.779 26 1HB GLN 4 1HB GLN 4 -12.508 3.740 12.557 27 2HB GLN 4 2HB GLN 4 -10.880 3.184 12.888 28 1HG GLN 4 1HG GLN 4 -12.047 3.051 15.409 29 2HG GLN 4 2HG GLN 4 -13.397 2.642 14.369 30 1HE2 GLN 4 1HE2 GLN 4 -10.875 1.431 16.064 31 2HE2 GLN 4 2HE2 GLN 4 -10.600 -0.072 15.248 32 H ALA 5 H ALA 5 -9.153 4.654 12.737 33 HA ALA 5 HA ALA 5 -8.636 7.221 11.875 34 1HB ALA 5 1HB ALA 5 -7.489 4.642 11.688 35 2HB ALA 5 2HB ALA 5 -7.637 5.230 10.015 36 3HB ALA 5 3HB ALA 5 -6.748 6.191 11.221 37 H GLN 6 H GLN 6 -8.522 7.922 9.482 38 HA GLN 6 HA GLN 6 -11.109 7.267 8.320 39 1HB GLN 6 1HB GLN 6 -11.048 9.595 8.745 40 2HB GLN 6 2HB GLN 6 -9.370 9.744 8.264 41 1HG GLN 6 1HG GLN 6 -9.918 9.454 5.917 42 2HG GLN 6 2HG GLN 6 -11.553 8.946 6.292 43 1HE2 GLN 6 1HE2 GLN 6 -10.310 11.216 4.734 44 2HE2 GLN 6 2HE2 GLN 6 -11.104 12.652 5.290 45 H GLN 7 H GLN 7 -11.280 6.830 6.032 46 HA GLN 7 HA GLN 7 -8.820 5.723 5.005 47 1HB GLN 7 1HB GLN 7 -10.244 4.530 3.415 48 2HB GLN 7 2HB GLN 7 -10.894 4.338 5.031 49 1HG GLN 7 1HG GLN 7 -12.274 6.555 4.340 50 2HG GLN 7 2HG GLN 7 -11.977 5.944 2.724 51 1HE2 GLN 7 1HE2 GLN 7 -13.645 5.528 5.706 52 2HE2 GLN 7 2HE2 GLN 7 -14.647 4.183 5.271 53 H PHE 8 H PHE 8 -7.557 7.281 4.027 54 HA PHE 8 HA PHE 8 -8.718 9.483 2.666 55 1HB PHE 8 1HB PHE 8 -5.883 8.407 2.307 56 2HB PHE 8 2HB PHE 8 -6.390 10.083 2.381 57 HD1 PHE 8 1HD PHE 8 -8.198 9.477 4.921 58 HD2 PHE 8 2HD PHE 8 -4.123 8.812 3.942 59 HE1 PHE 8 1HE PHE 8 -7.602 9.550 7.358 60 HE2 PHE 8 2HE PHE 8 -3.526 8.884 6.379 61 HZ PHE 8 HZ PHE 8 -5.273 9.252 8.058 62 H ILE 9 H ILE 9 -8.253 10.030 0.347 63 HA ILE 9 HA ILE 9 -8.893 7.744 -1.280 64 HB ILE 9 HB ILE 9 -8.631 10.694 -1.856 65 1HG1 ILE 9 1HG1 ILE 9 -10.526 10.056 -0.419 66 2HG1 ILE 9 2HG1 ILE 9 -11.044 10.679 -1.973 67 1HG2 ILE 9 1HG2 ILE 9 -8.826 8.390 -3.677 68 2HG2 ILE 9 2HG2 ILE 9 -10.044 9.659 -3.951 69 3HG2 ILE 9 3HG2 ILE 9 -8.312 10.066 -3.984 70 1HD1 ILE 9 1HD1 ILE 9 -11.058 8.154 -2.722 71 2HD1 ILE 9 2HD1 ILE 9 -11.082 7.821 -0.974 72 3HD1 ILE 9 3HD1 ILE 9 -12.394 8.766 -1.717 73 H PHE 10 H PHE 10 -7.361 6.422 -2.084 74 HA PHE 10 HA PHE 10 -5.053 7.588 -3.329 75 1HB PHE 10 1HB PHE 10 -4.600 7.276 -0.777 76 2HB PHE 10 2HB PHE 10 -4.793 5.554 -1.039 77 HD1 PHE 10 1HD PHE 10 -2.906 4.293 -1.462 78 HD2 PHE 10 2HD PHE 10 -2.833 8.435 -2.382 79 HE1 PHE 10 1HE PHE 10 -0.478 4.114 -2.075 80 HE2 PHE 10 2HE PHE 10 -0.405 8.256 -2.994 81 HZ PHE 10 HZ PHE 10 0.743 6.098 -2.833 82 H LYS 11 H LYS 11 -4.455 6.361 -5.080 83 HA LYS 11 HA LYS 11 -5.417 3.588 -5.107 84 1HB LYS 11 1HB LYS 11 -5.610 5.657 -7.311 85 2HB LYS 11 2HB LYS 11 -5.819 3.939 -7.578 86 1HG LYS 11 1HG LYS 11 -7.420 4.747 -5.288 87 2HG LYS 11 2HG LYS 11 -7.765 5.814 -6.635 88 1HD LYS 11 1HD LYS 11 -8.357 3.955 -8.079 89 2HD LYS 11 2HD LYS 11 -7.715 2.782 -6.947 90 1HE LYS 11 1HE LYS 11 -9.472 3.655 -5.257 91 2HE LYS 11 2HE LYS 11 -10.196 4.520 -6.598 92 1HZ LYS 11 1HZ LYS 11 -10.878 2.612 -7.547 93 2HZ LYS 11 2HZ LYS 11 -9.625 1.716 -7.005 94 3HZ LYS 11 3HZ LYS 11 -10.863 2.081 -6.003 95 H VAL 12 H VAL 12 -3.825 2.125 -5.420 96 HA VAL 12 HA VAL 12 -1.268 3.180 -6.390 97 HB VAL 12 HB VAL 12 -1.746 1.965 -4.074 98 1HG1 VAL 12 1HG1 VAL 12 -1.366 -0.385 -4.090 99 2HG1 VAL 12 2HG1 VAL 12 -2.633 -0.074 -5.301 100 3HG1 VAL 12 3HG1 VAL 12 -0.959 -0.381 -5.823 101 1HG2 VAL 12 1HG2 VAL 12 0.398 2.805 -4.434 102 2HG2 VAL 12 2HG2 VAL 12 0.685 1.056 -4.277 103 3HG2 VAL 12 3HG2 VAL 12 0.656 1.812 -5.888 104 H THR 13 H THR 13 -0.272 2.297 -8.196 105 HA THR 13 HA THR 13 -1.875 1.115 -10.128 106 HB THR 13 HB THR 13 0.429 0.689 -11.203 107 HG1 THR 13 1HG THR 13 2.154 0.991 -9.808 108 1HG2 THR 13 1HG2 THR 13 0.986 3.027 -11.464 109 2HG2 THR 13 2HG2 THR 13 -0.782 2.984 -11.266 110 3HG2 THR 13 3HG2 THR 13 0.256 3.445 -9.896 111 H ASP 14 H ASP 14 -2.027 -0.982 -11.013 112 HA ASP 14 HA ASP 14 -2.367 -2.957 -9.197 113 1HB ASP 14 1HB ASP 14 -2.236 -2.707 -12.117 114 2HB ASP 14 2HB ASP 14 -1.620 -4.264 -11.604 115 H LYS 15 H LYS 15 0.549 -1.921 -10.988 116 HA LYS 15 HA LYS 15 2.093 -4.225 -10.531 117 1HB LYS 15 1HB LYS 15 2.340 -1.920 -12.016 118 2HB LYS 15 2HB LYS 15 3.533 -1.665 -10.758 119 1HG LYS 15 1HG LYS 15 4.563 -3.870 -11.244 120 2HG LYS 15 2HG LYS 15 3.332 -4.204 -12.445 121 1HD LYS 15 1HD LYS 15 4.204 -1.807 -13.398 122 2HD LYS 15 2HD LYS 15 5.671 -2.327 -12.592 123 1HE LYS 15 1HE LYS 15 5.980 -4.160 -14.013 124 2HE LYS 15 2HE LYS 15 4.266 -4.354 -14.320 125 1HZ LYS 15 1HZ LYS 15 4.298 -2.493 -15.743 126 2HZ LYS 15 2HZ LYS 15 5.815 -2.068 -15.314 127 3HZ LYS 15 3HZ LYS 15 5.563 -3.427 -16.183 128 H ALA 16 H ALA 16 1.520 -1.199 -8.678 129 HA ALA 16 HA ALA 16 3.506 -1.699 -6.747 130 1HB ALA 16 1HB ALA 16 2.323 0.060 -5.486 131 2HB ALA 16 2HB ALA 16 2.505 0.517 -7.196 132 3HB ALA 16 3HB ALA 16 0.936 -0.070 -6.595 133 H VAL 17 H VAL 17 -0.059 -2.347 -6.873 134 HA VAL 17 HA VAL 17 -0.145 -3.535 -4.324 135 HB VAL 17 HB VAL 17 -1.899 -3.070 -6.611 136 1HG1 VAL 17 1HG1 VAL 17 -2.030 -5.498 -6.686 137 2HG1 VAL 17 2HG1 VAL 17 -2.338 -5.564 -4.935 138 3HG1 VAL 17 3HG1 VAL 17 -3.541 -4.832 -6.023 139 1HG2 VAL 17 1HG2 VAL 17 -3.143 -3.439 -3.995 140 2HG2 VAL 17 2HG2 VAL 17 -1.738 -2.349 -3.927 141 3HG2 VAL 17 3HG2 VAL 17 -3.082 -1.999 -5.040 142 H GLU 18 H GLU 18 -0.017 -4.932 -7.674 143 HA GLU 18 HA GLU 18 -0.014 -7.550 -6.935 144 1HB GLU 18 1HB GLU 18 -0.175 -6.630 -9.276 145 2HB GLU 18 2HB GLU 18 1.549 -6.320 -9.247 146 1HG GLU 18 1HG GLU 18 1.920 -8.792 -8.763 147 2HG GLU 18 2HG GLU 18 0.199 -9.046 -8.980 148 H GLU 19 H GLU 19 2.607 -5.146 -6.811 149 HA GLU 19 HA GLU 19 4.706 -6.955 -6.584 150 1HB GLU 19 1HB GLU 19 5.251 -4.700 -7.121 151 2HB GLU 19 2HB GLU 19 4.322 -4.056 -5.782 152 1HG GLU 19 1HG GLU 19 6.674 -3.914 -5.187 153 2HG GLU 19 2HG GLU 19 5.942 -5.146 -4.178 154 H ILE 20 H ILE 20 2.397 -5.570 -4.231 155 HA ILE 20 HA ILE 20 3.810 -6.397 -1.932 156 HB ILE 20 HB ILE 20 0.839 -5.982 -2.098 157 1HG1 ILE 20 1HG1 ILE 20 1.466 -4.110 -3.299 158 2HG1 ILE 20 2HG1 ILE 20 1.481 -3.509 -1.653 159 1HG2 ILE 20 1HG2 ILE 20 2.117 -4.698 0.106 160 2HG2 ILE 20 2HG2 ILE 20 0.966 -6.055 0.113 161 3HG2 ILE 20 3HG2 ILE 20 2.714 -6.372 0.006 162 1HD1 ILE 20 1HD1 ILE 20 4.047 -4.393 -1.791 163 2HD1 ILE 20 2HD1 ILE 20 3.771 -4.027 -3.511 164 3HD1 ILE 20 3HD1 ILE 20 3.566 -2.752 -2.285 165 H LYS 21 H LYS 21 1.530 -7.954 -4.180 166 HA LYS 21 HA LYS 21 0.973 -10.151 -2.476 167 1HB LYS 21 1HB LYS 21 0.644 -9.754 -5.464 168 2HB LYS 21 2HB LYS 21 0.062 -11.154 -4.585 169 1HG LYS 21 1HG LYS 21 -1.195 -9.497 -3.047 170 2HG LYS 21 2HG LYS 21 -0.795 -8.252 -4.213 171 1HD LYS 21 1HD LYS 21 -1.824 -10.436 -5.735 172 2HD LYS 21 2HD LYS 21 -2.883 -10.283 -4.347 173 1HE LYS 21 1HE LYS 21 -3.912 -8.609 -5.501 174 2HE LYS 21 2HE LYS 21 -2.523 -7.623 -5.089 175 1HZ LYS 21 1HZ LYS 21 -1.906 -9.230 -7.291 176 2HZ LYS 21 2HZ LYS 21 -3.302 -8.436 -7.592 177 3HZ LYS 21 3HZ LYS 21 -1.955 -7.600 -7.200 178 H LYS 22 H LYS 22 3.395 -9.431 -5.031 179 HA LYS 22 HA LYS 22 4.430 -12.063 -5.087 180 1HB LYS 22 1HB LYS 22 4.924 -10.943 -7.018 181 2HB LYS 22 2HB LYS 22 5.154 -9.403 -6.215 182 1HG LYS 22 1HG LYS 22 7.376 -9.840 -5.689 183 2HG LYS 22 2HG LYS 22 7.113 -11.563 -5.508 184 1HD LYS 22 1HD LYS 22 8.367 -11.436 -7.507 185 2HD LYS 22 2HD LYS 22 6.722 -11.587 -8.093 186 1HE LYS 22 1HE LYS 22 6.887 -9.597 -9.168 187 2HE LYS 22 2HE LYS 22 7.242 -8.780 -7.659 188 1HZ LYS 22 1HZ LYS 22 8.960 -9.015 -9.657 189 2HZ LYS 22 2HZ LYS 22 9.411 -8.789 -8.104 190 3HZ LYS 22 3HZ LYS 22 9.422 -10.290 -8.747 191 H VAL 23 H VAL 23 5.481 -8.988 -3.477 192 HA VAL 23 HA VAL 23 7.743 -9.976 -2.267 193 HB VAL 23 HB VAL 23 5.784 -7.794 -1.705 194 1HG1 VAL 23 1HG1 VAL 23 6.300 -8.596 0.536 195 2HG1 VAL 23 2HG1 VAL 23 8.042 -8.571 0.173 196 3HG1 VAL 23 3HG1 VAL 23 7.125 -7.047 0.240 197 1HG2 VAL 23 1HG2 VAL 23 7.301 -6.525 -2.751 198 2HG2 VAL 23 2HG2 VAL 23 8.630 -7.149 -1.744 199 3HG2 VAL 23 3HG2 VAL 23 8.123 -8.038 -3.200 200 H ALA 24 H ALA 24 4.292 -10.195 -1.270 201 HA ALA 24 HA ALA 24 4.895 -11.390 1.236 202 1HB ALA 24 1HB ALA 24 2.810 -10.472 1.340 203 2HB ALA 24 2HB ALA 24 2.509 -10.700 -0.400 204 3HB ALA 24 3HB ALA 24 2.304 -12.064 0.725 205 H GLN 25 H GLN 25 4.104 -12.562 -2.073 206 HA GLN 25 HA GLN 25 3.680 -15.191 -1.439 207 1HB GLN 25 1HB GLN 25 4.518 -13.672 -3.875 208 2HB GLN 25 2HB GLN 25 4.824 -15.397 -3.908 209 1HG GLN 25 1HG GLN 25 2.150 -14.813 -2.838 210 2HG GLN 25 2HG GLN 25 2.363 -14.111 -4.430 211 1HE2 GLN 25 1HE2 GLN 25 1.009 -16.583 -3.106 212 2HE2 GLN 25 2HE2 GLN 25 1.343 -17.881 -4.203 213 H GLU 26 H GLU 26 6.600 -13.306 -1.277 214 HA GLU 26 HA GLU 26 8.258 -15.663 -1.443 215 1HB GLU 26 1HB GLU 26 8.650 -13.004 -2.171 216 2HB GLU 26 2HB GLU 26 9.548 -13.115 -0.670 217 1HG GLU 26 1HG GLU 26 10.736 -15.151 -1.557 218 2HG GLU 26 2HG GLU 26 9.869 -14.980 -3.070 219 H ASN 27 H ASN 27 6.564 -13.733 0.886 220 HA ASN 27 HA ASN 27 8.303 -14.730 2.994 221 1HB ASN 27 1HB ASN 27 6.526 -12.328 2.675 222 2HB ASN 27 2HB ASN 27 6.545 -13.043 4.276 223 1HD2 ASN 27 1HD2 ASN 27 8.091 -11.005 2.100 224 2HD2 ASN 27 2HD2 ASN 27 9.590 -10.750 2.928 225 H ASN 28 H ASN 28 5.900 -15.947 1.287 226 HA ASN 28 HA ASN 28 4.217 -17.282 1.583 227 1HB ASN 28 1HB ASN 28 6.052 -18.088 3.453 228 2HB ASN 28 2HB ASN 28 4.712 -17.718 4.520 229 1HD2 ASN 28 1HD2 ASN 28 5.337 -20.188 4.636 230 2HD2 ASN 28 2HD2 ASN 28 4.303 -21.246 3.735 231 H ILE 29 H ILE 29 3.861 -14.394 2.161 232 HA ILE 29 HA ILE 29 1.908 -14.431 4.336 233 HB ILE 29 HB ILE 29 3.388 -12.228 2.913 234 1HG1 ILE 29 1HG1 ILE 29 3.301 -13.035 5.835 235 2HG1 ILE 29 2HG1 ILE 29 4.560 -13.499 4.708 236 1HG2 ILE 29 1HG2 ILE 29 1.046 -12.008 4.816 237 2HG2 ILE 29 2HG2 ILE 29 2.166 -10.673 4.457 238 3HG2 ILE 29 3HG2 ILE 29 1.175 -11.376 3.157 239 1HD1 ILE 29 1HD1 ILE 29 4.745 -10.906 4.230 240 2HD1 ILE 29 2HD1 ILE 29 3.907 -10.751 5.793 241 3HD1 ILE 29 3HD1 ILE 29 5.480 -11.580 5.705 242 H GLU 30 H GLU 30 -0.256 -13.673 4.007 243 HA GLU 30 HA GLU 30 -0.995 -13.562 1.190 244 1HB GLU 30 1HB GLU 30 -1.699 -15.596 3.073 245 2HB GLU 30 2HB GLU 30 -3.152 -14.658 2.789 246 1HG GLU 30 1HG GLU 30 -3.064 -15.042 0.408 247 2HG GLU 30 2HG GLU 30 -1.415 -15.630 0.485 248 H ASN 31 H ASN 31 -0.603 -11.744 3.823 249 HA ASN 31 HA ASN 31 -2.808 -10.055 3.092 250 1HB ASN 31 1HB ASN 31 -3.052 -9.693 5.760 251 2HB ASN 31 2HB ASN 31 -3.996 -10.902 4.912 252 1HD2 ASN 31 1HD2 ASN 31 -1.936 -10.313 7.444 253 2HD2 ASN 31 2HD2 ASN 31 -1.427 -11.923 7.830 254 HA PRO 32 HA PRO 32 1.221 -8.090 4.148 255 1HB PRO 32 1HB PRO 32 1.799 -6.998 1.711 256 2HB PRO 32 2HB PRO 32 2.428 -8.546 2.241 257 1HG PRO 32 1HG PRO 32 0.277 -7.989 0.292 258 2HG PRO 32 2HG PRO 32 1.198 -9.462 0.519 259 1HD PRO 32 1HD PRO 32 -1.494 -8.971 1.380 260 2HD PRO 32 2HD PRO 32 -0.533 -10.399 1.707 261 H ILE 33 H ILE 33 1.513 -6.070 4.977 262 HA ILE 33 HA ILE 33 -0.727 -4.292 4.337 263 HB ILE 33 HB ILE 33 0.905 -4.803 6.780 264 1HG1 ILE 33 1HG1 ILE 33 -1.936 -4.017 6.938 265 2HG1 ILE 33 2HG1 ILE 33 -1.640 -5.473 6.009 266 1HG2 ILE 33 1HG2 ILE 33 -0.026 -2.135 5.864 267 2HG2 ILE 33 2HG2 ILE 33 -0.347 -2.564 7.561 268 3HG2 ILE 33 3HG2 ILE 33 1.320 -2.583 6.939 269 1HD1 ILE 33 1HD1 ILE 33 -0.133 -6.225 7.999 270 2HD1 ILE 33 2HD1 ILE 33 -0.929 -4.919 8.909 271 3HD1 ILE 33 3HD1 ILE 33 -1.896 -6.254 8.238 272 H LEU 34 H LEU 34 -0.269 -2.764 2.853 273 HA LEU 34 HA LEU 34 2.510 -1.957 2.550 274 1HB LEU 34 1HB LEU 34 1.251 -2.679 0.585 275 2HB LEU 34 2HB LEU 34 0.061 -1.423 0.862 276 HG LEU 34 HG LEU 34 1.820 0.297 0.505 277 1HD1 LEU 34 1HD1 LEU 34 3.986 -0.178 0.449 278 2HD1 LEU 34 2HD1 LEU 34 3.583 -1.865 0.850 279 3HD1 LEU 34 3HD1 LEU 34 3.745 -1.369 -0.852 280 1HD2 LEU 34 1HD2 LEU 34 0.829 0.246 -1.490 281 2HD2 LEU 34 2HD2 LEU 34 2.216 -0.726 -2.037 282 3HD2 LEU 34 3HD2 LEU 34 0.726 -1.531 -1.489 283 H ARG 35 H ARG 35 3.224 -0.307 3.783 284 HA ARG 35 HA ARG 35 1.244 1.660 4.565 285 1HB ARG 35 1HB ARG 35 2.473 0.634 6.432 286 2HB ARG 35 2HB ARG 35 4.013 0.993 5.677 287 1HG ARG 35 1HG ARG 35 2.726 3.496 5.785 288 2HG ARG 35 2HG ARG 35 2.278 2.736 7.299 289 1HD ARG 35 1HD ARG 35 5.163 2.825 6.306 290 2HD ARG 35 2HD ARG 35 4.476 4.087 7.308 291 HE ARG 35 HE ARG 35 5.308 1.456 8.193 292 1HH1 ARG 35 2HH2 ARG 35 2.951 3.995 8.813 293 2HH1 ARG 35 1HH2 ARG 35 2.719 3.551 10.471 294 1HH2 ARG 35 2HH1 ARG 35 5.002 0.870 10.380 295 2HH2 ARG 35 1HH1 ARG 35 3.894 1.761 11.368 296 H ILE 36 H ILE 36 1.331 3.731 3.708 297 HA ILE 36 HA ILE 36 3.531 4.294 1.897 298 HB ILE 36 HB ILE 36 0.741 5.242 2.269 299 1HG1 ILE 36 1HG1 ILE 36 1.068 5.219 -0.340 300 2HG1 ILE 36 2HG1 ILE 36 2.489 4.263 0.031 301 1HG2 ILE 36 1HG2 ILE 36 1.612 7.380 2.369 302 2HG2 ILE 36 2HG2 ILE 36 3.004 6.981 1.335 303 3HG2 ILE 36 3HG2 ILE 36 1.384 7.150 0.619 304 1HD1 ILE 36 1HD1 ILE 36 1.076 2.480 0.080 305 2HD1 ILE 36 2HD1 ILE 36 0.550 3.101 1.663 306 3HD1 ILE 36 3HD1 ILE 36 -0.361 3.523 0.194 307 H ARG 37 H ARG 37 5.299 5.343 2.613 308 HA ARG 37 HA ARG 37 4.838 7.315 4.701 309 1HB ARG 37 1HB ARG 37 6.162 4.970 5.176 310 2HB ARG 37 2HB ARG 37 7.507 5.933 4.598 311 1HG ARG 37 1HG ARG 37 6.514 7.755 6.293 312 2HG ARG 37 2HG ARG 37 5.788 6.350 7.048 313 1HD ARG 37 1HD ARG 37 7.768 6.041 8.126 314 2HD ARG 37 2HD ARG 37 8.431 5.523 6.588 315 HE ARG 37 HE ARG 37 9.647 7.509 6.509 316 1HH1 ARG 37 2HH2 ARG 37 6.859 7.992 8.600 317 2HH1 ARG 37 1HH2 ARG 37 7.319 9.598 9.057 318 1HH2 ARG 37 2HH1 ARG 37 10.255 9.628 7.111 319 2HH2 ARG 37 1HH1 ARG 37 9.264 10.535 8.204 320 H VAL 38 H VAL 38 6.459 9.120 4.699 321 HA VAL 38 HA VAL 38 7.384 9.609 1.975 322 HB VAL 38 HB VAL 38 7.366 11.607 4.214 323 1HG1 VAL 38 1HG1 VAL 38 8.389 12.439 2.254 324 2HG1 VAL 38 2HG1 VAL 38 7.153 11.715 1.198 325 3HG1 VAL 38 3HG1 VAL 38 6.738 13.103 2.233 326 1HG2 VAL 38 1HG2 VAL 38 4.981 12.126 3.093 327 2HG2 VAL 38 2HG2 VAL 38 5.004 10.357 2.894 328 3HG2 VAL 38 3HG2 VAL 38 5.171 11.073 4.516 329 H VAL 39 H VAL 39 9.485 9.305 1.466 330 HA VAL 39 HA VAL 39 11.475 9.848 3.515 331 HB VAL 39 HB VAL 39 10.997 7.496 3.795 332 1HG1 VAL 39 1HG1 VAL 39 11.969 6.447 1.285 333 2HG1 VAL 39 2HG1 VAL 39 10.428 6.137 2.120 334 3HG1 VAL 39 3HG1 VAL 39 10.573 7.515 1.004 335 1HG2 VAL 39 1HG2 VAL 39 13.618 8.144 2.426 336 2HG2 VAL 39 2HG2 VAL 39 13.275 8.035 4.169 337 3HG2 VAL 39 3HG2 VAL 39 13.287 6.561 3.171 338 HA PRO 40 HA PRO 40 13.358 11.551 0.008 339 1HB PRO 40 1HB PRO 40 15.841 12.074 1.021 340 2HB PRO 40 2HB PRO 40 14.460 13.119 1.284 341 1HG PRO 40 1HG PRO 40 15.745 11.238 3.167 342 2HG PRO 40 2HG PRO 40 14.666 12.574 3.515 343 1HD PRO 40 1HD PRO 40 13.999 9.784 3.513 344 2HD PRO 40 2HD PRO 40 12.895 11.125 3.746 345 H GLY 41 H GLY 41 13.215 9.830 -1.446 346 1HA GLY 41 1HA GLY 41 14.620 7.541 -1.475 347 2HA GLY 41 2HA GLY 41 14.267 8.468 -2.920 348 H GLY 42 H GLY 42 15.833 10.582 -3.074 349 1HA GLY 42 1HA GLY 42 18.204 11.078 -2.236 350 2HA GLY 42 2HA GLY 42 18.560 9.482 -2.866 351 H CYS 43 H CYS 43 19.787 9.850 -4.688 352 HA CYS 43 HA CYS 43 19.385 12.072 -6.351 353 1HB CYS 43 1HB CYS 43 20.998 10.973 -7.855 354 2HB CYS 43 2HB CYS 43 21.557 10.997 -6.195 355 HG CYS 43 HG CYS 43 22.252 8.708 -6.628 356 H SER 44 H SER 44 18.127 8.737 -6.210 357 HA SER 44 HA SER 44 17.222 8.503 -8.788 358 1HB SER 44 1HB SER 44 16.650 7.249 -6.163 359 2HB SER 44 2HB SER 44 15.307 7.163 -7.285 360 HG SER 44 HG SER 44 16.586 6.053 -8.786 361 H GLY 45 H GLY 45 15.804 10.127 -5.914 362 1HA GLY 45 1HA GLY 45 14.496 12.150 -6.752 363 2HA GLY 45 2HA GLY 45 13.489 10.955 -7.545 364 H PHE 46 H PHE 46 12.645 12.847 -5.473 365 HA PHE 46 HA PHE 46 12.448 11.358 -3.034 366 1HB PHE 46 1HB PHE 46 10.838 13.794 -3.973 367 2HB PHE 46 2HB PHE 46 11.251 13.382 -2.320 368 HD1 PHE 46 1HD PHE 46 14.002 13.059 -2.111 369 HD2 PHE 46 2HD PHE 46 11.933 15.648 -4.763 370 HE1 PHE 46 1HE PHE 46 16.027 14.535 -2.251 371 HE2 PHE 46 2HE PHE 46 13.959 17.124 -4.902 372 HZ PHE 46 HZ PHE 46 15.981 16.550 -3.645 373 H GLN 47 H GLN 47 11.276 9.448 -3.314 374 HA GLN 47 HA GLN 47 8.483 9.898 -3.965 375 1HB GLN 47 1HB GLN 47 10.242 7.693 -5.122 376 2HB GLN 47 2HB GLN 47 8.492 7.677 -5.210 377 1HG GLN 47 1HG GLN 47 8.441 9.238 -6.879 378 2HG GLN 47 2HG GLN 47 9.630 10.256 -6.090 379 1HE2 GLN 47 1HE2 GLN 47 10.531 10.606 -8.165 380 2HE2 GLN 47 2HE2 GLN 47 11.607 9.461 -8.894 381 H TYR 48 H TYR 48 7.017 8.265 -3.009 382 HA TYR 48 HA TYR 48 7.990 7.429 -0.446 383 1HB TYR 48 1HB TYR 48 5.365 6.807 -1.925 384 2HB TYR 48 2HB TYR 48 5.585 6.856 -0.187 385 HD1 TYR 48 1HD TYR 48 5.075 8.849 -3.218 386 HD2 TYR 48 2HD TYR 48 5.753 9.010 1.003 387 HE1 TYR 48 1HE TYR 48 4.351 11.286 -3.188 388 HE2 TYR 48 2HE TYR 48 5.027 11.447 1.019 389 HH TYR 48 HH TYR 48 4.337 13.142 -1.993 390 H ALA 49 H ALA 49 9.001 5.532 -0.041 391 HA ALA 49 HA ALA 49 8.939 3.459 -2.032 392 1HB ALA 49 1HB ALA 49 10.893 2.862 -1.070 393 2HB ALA 49 2HB ALA 49 10.758 4.372 -0.136 394 3HB ALA 49 3HB ALA 49 10.178 2.839 0.560 395 H MET 50 H MET 50 8.396 1.174 -1.459 396 HA MET 50 HA MET 50 6.087 1.195 0.317 397 1HB MET 50 1HB MET 50 6.867 -0.374 -2.173 398 2HB MET 50 2HB MET 50 5.698 -1.066 -1.066 399 1HG MET 50 1HG MET 50 4.053 0.445 -1.638 400 2HG MET 50 2HG MET 50 5.176 1.785 -1.759 401 1HE MET 50 1HE MET 50 4.028 -1.516 -4.361 402 2HE MET 50 2HE MET 50 5.790 -1.545 -4.609 403 3HE MET 50 3HE MET 50 5.121 -1.656 -2.963 404 H GLY 51 H GLY 51 5.639 -1.250 1.148 405 1HA GLY 51 1HA GLY 51 7.876 -2.897 1.668 406 2HA GLY 51 2HA GLY 51 7.609 -1.827 3.031 407 H PHE 52 H PHE 52 7.223 -4.122 4.007 408 HA PHE 52 HA PHE 52 4.338 -4.557 3.933 409 1HB PHE 52 1HB PHE 52 5.068 -7.094 4.116 410 2HB PHE 52 2HB PHE 52 5.130 -6.345 2.533 411 HD1 PHE 52 1HD PHE 52 7.460 -5.182 1.976 412 HD2 PHE 52 2HD PHE 52 6.915 -8.280 4.824 413 HE1 PHE 52 1HE PHE 52 9.889 -5.785 1.784 414 HE2 PHE 52 2HE PHE 52 9.344 -8.883 4.633 415 HZ PHE 52 HZ PHE 52 10.802 -7.629 3.115 416 H ASP 53 H ASP 53 3.484 -4.660 5.965 417 HA ASP 53 HA ASP 53 5.378 -5.273 8.097 418 1HB ASP 53 1HB ASP 53 3.022 -3.328 8.164 419 2HB ASP 53 2HB ASP 53 4.035 -3.717 9.540 420 H ASP 54 H ASP 54 3.895 -5.780 10.240 421 HA ASP 54 HA ASP 54 1.574 -7.295 9.367 422 1HB ASP 54 1HB ASP 54 3.667 -8.288 11.357 423 2HB ASP 54 2HB ASP 54 2.229 -9.159 10.864 424 H THR 55 H THR 55 0.825 -5.034 10.342 425 HA THR 55 HA THR 55 -0.354 -5.458 12.812 426 HB THR 55 HB THR 55 2.428 -4.770 13.027 427 HG1 THR 55 1HG THR 55 0.223 -4.547 14.944 428 1HG2 THR 55 1HG2 THR 55 2.354 -2.718 14.326 429 2HG2 THR 55 2HG2 THR 55 1.552 -2.355 12.779 430 3HG2 THR 55 3HG2 THR 55 0.577 -2.657 14.237 431 H VAL 56 H VAL 56 -1.329 -3.349 13.707 432 HA VAL 56 HA VAL 56 -1.634 -1.409 11.537 433 HB VAL 56 HB VAL 56 -3.574 -3.332 12.429 434 1HG1 VAL 56 1HG1 VAL 56 -5.485 -1.795 12.790 435 2HG1 VAL 56 2HG1 VAL 56 -4.266 -1.687 14.083 436 3HG1 VAL 56 3HG1 VAL 56 -4.351 -0.424 12.832 437 1HG2 VAL 56 1HG2 VAL 56 -4.884 -2.286 10.532 438 2HG2 VAL 56 2HG2 VAL 56 -3.541 -1.134 10.342 439 3HG2 VAL 56 3HG2 VAL 56 -3.259 -2.877 10.108 440 H GLU 57 H GLU 57 -2.426 0.709 12.301 441 HA GLU 57 HA GLU 57 -1.494 1.125 15.012 442 1HB GLU 57 1HB GLU 57 -2.174 3.286 12.987 443 2HB GLU 57 2HB GLU 57 -1.144 3.420 14.398 444 1HG GLU 57 1HG GLU 57 -0.103 1.281 12.773 445 2HG GLU 57 2HG GLU 57 -0.416 2.640 11.711 446 H GLU 58 H GLU 58 -2.730 3.058 16.181 447 HA GLU 58 HA GLU 58 -5.463 2.196 16.255 448 1HB GLU 58 1HB GLU 58 -3.927 2.662 18.292 449 2HB GLU 58 2HB GLU 58 -4.193 4.363 17.968 450 1HG GLU 58 1HG GLU 58 -6.238 4.294 18.947 451 2HG GLU 58 2HG GLU 58 -6.749 2.985 17.901 452 H GLY 59 H GLY 59 -4.357 3.765 13.910 453 1HA GLY 59 1HA GLY 59 -6.531 5.337 13.309 454 2HA GLY 59 2HA GLY 59 -5.392 6.421 14.082 455 H ASP 60 H ASP 60 -5.424 3.764 11.594 456 HA ASP 60 HA ASP 60 -3.584 5.439 10.072 457 1HB ASP 60 1HB ASP 60 -3.019 2.940 11.079 458 2HB ASP 60 2HB ASP 60 -3.677 2.502 9.516 459 H HIS 61 H HIS 61 -4.014 5.523 7.752 460 HA HIS 61 HA HIS 61 -6.718 5.226 7.069 461 1HB HIS 61 1HB HIS 61 -5.579 6.944 5.982 462 2HB HIS 61 2HB HIS 61 -4.200 5.935 5.593 463 HD1 HIS 61 1HD HIS 61 -7.447 4.347 4.785 464 HD2 HIS 61 2HD HIS 61 -4.677 6.845 2.866 465 HE1 HIS 61 1HE HIS 61 -8.011 4.262 2.298 466 H VAL 62 H VAL 62 -6.983 2.919 7.760 467 HA VAL 62 HA VAL 62 -5.676 0.914 6.204 468 HB VAL 62 HB VAL 62 -6.629 0.874 8.630 469 1HG1 VAL 62 1HG1 VAL 62 -9.065 -0.147 7.143 470 2HG1 VAL 62 2HG1 VAL 62 -8.856 0.058 8.899 471 3HG1 VAL 62 3HG1 VAL 62 -8.954 1.486 7.841 472 1HG2 VAL 62 1HG2 VAL 62 -7.314 -1.616 7.114 473 2HG2 VAL 62 2HG2 VAL 62 -5.640 -1.013 7.045 474 3HG2 VAL 62 3HG2 VAL 62 -6.379 -1.409 8.615 475 H PHE 63 H PHE 63 -6.100 0.738 4.057 476 HA PHE 63 HA PHE 63 -8.916 0.999 3.268 477 1HB PHE 63 1HB PHE 63 -6.806 2.536 2.472 478 2HB PHE 63 2HB PHE 63 -6.540 1.191 1.380 479 HD1 PHE 63 1HD PHE 63 -7.081 2.066 -0.711 480 HD2 PHE 63 2HD PHE 63 -9.779 2.627 2.515 481 HE1 PHE 63 1HE PHE 63 -8.779 3.017 -2.296 482 HE2 PHE 63 2HE PHE 63 -11.477 3.578 0.930 483 HZ PHE 63 HZ PHE 63 -10.957 3.761 -1.457 484 H GLU 64 H GLU 64 -9.805 -0.566 1.853 485 HA GLU 64 HA GLU 64 -8.366 -3.051 1.923 486 1HB GLU 64 1HB GLU 64 -11.186 -2.351 0.995 487 2HB GLU 64 2HB GLU 64 -10.536 -3.978 1.011 488 1HG GLU 64 1HG GLU 64 -10.252 -3.927 3.434 489 2HG GLU 64 2HG GLU 64 -10.617 -2.214 3.499 490 H TYR 65 H TYR 65 -7.649 -4.224 0.095 491 HA TYR 65 HA TYR 65 -7.914 -2.812 -2.470 492 1HB TYR 65 1HB TYR 65 -5.569 -3.853 -0.848 493 2HB TYR 65 2HB TYR 65 -5.470 -4.099 -2.581 494 HD1 TYR 65 1HD TYR 65 -5.443 -1.611 0.119 495 HD2 TYR 65 2HD TYR 65 -5.251 -2.194 -4.115 496 HE1 TYR 65 1HE TYR 65 -4.586 0.764 -0.176 497 HE2 TYR 65 2HE TYR 65 -4.394 0.183 -4.396 498 HH TYR 65 HH TYR 65 -4.315 2.204 -3.323 499 H ASP 66 H ASP 66 -6.542 -4.651 -4.069 500 HA ASP 66 HA ASP 66 -8.521 -6.570 -4.404 501 1HB ASP 66 1HB ASP 66 -6.653 -5.556 -6.023 502 2HB ASP 66 2HB ASP 66 -5.718 -6.936 -5.485 503 H GLY 67 H GLY 67 -8.393 -7.394 -2.032 504 1HA GLY 67 1HA GLY 67 -7.963 -9.129 -0.660 505 2HA GLY 67 2HA GLY 67 -7.059 -9.897 -1.950 506 H VAL 68 H VAL 68 -6.453 -6.646 -0.496 507 HA VAL 68 HA VAL 68 -4.183 -7.681 0.963 508 HB VAL 68 HB VAL 68 -3.853 -5.659 -1.262 509 1HG1 VAL 68 1HG1 VAL 68 -1.344 -6.259 -0.625 510 2HG1 VAL 68 2HG1 VAL 68 -2.245 -4.985 0.231 511 3HG1 VAL 68 3HG1 VAL 68 -2.081 -6.601 0.959 512 1HG2 VAL 68 1HG2 VAL 68 -2.994 -8.561 -1.051 513 2HG2 VAL 68 2HG2 VAL 68 -4.101 -7.838 -2.243 514 3HG2 VAL 68 3HG2 VAL 68 -2.370 -7.422 -2.268 515 H LYS 69 H LYS 69 -3.378 -6.133 2.538 516 HA LYS 69 HA LYS 69 -5.381 -4.060 3.070 517 1HB LYS 69 1HB LYS 69 -4.127 -6.076 4.705 518 2HB LYS 69 2HB LYS 69 -3.733 -4.490 5.336 519 1HG LYS 69 1HG LYS 69 -6.359 -4.059 4.864 520 2HG LYS 69 2HG LYS 69 -6.428 -5.801 5.038 521 1HD LYS 69 1HD LYS 69 -5.079 -5.480 7.235 522 2HD LYS 69 2HD LYS 69 -5.431 -3.771 7.079 523 1HE LYS 69 1HE LYS 69 -7.947 -4.811 6.701 524 2HE LYS 69 2HE LYS 69 -7.267 -6.033 7.758 525 1HZ LYS 69 1HZ LYS 69 -7.837 -4.597 9.335 526 2HZ LYS 69 2HZ LYS 69 -6.478 -3.783 8.938 527 3HZ LYS 69 3HZ LYS 69 -7.919 -3.312 8.331 528 H VAL 70 H VAL 70 -4.746 -1.916 3.487 529 HA VAL 70 HA VAL 70 -1.895 -1.353 3.200 530 HB VAL 70 HB VAL 70 -4.130 -0.419 1.432 531 1HG1 VAL 70 1HG1 VAL 70 -1.622 1.120 2.140 532 2HG1 VAL 70 2HG1 VAL 70 -2.496 1.365 0.609 533 3HG1 VAL 70 3HG1 VAL 70 -3.312 1.679 2.159 534 1HG2 VAL 70 1HG2 VAL 70 -1.803 -2.069 1.160 535 2HG2 VAL 70 2HG2 VAL 70 -3.047 -1.681 -0.052 536 3HG2 VAL 70 3HG2 VAL 70 -1.614 -0.639 0.117 537 H VAL 71 H VAL 71 -1.300 0.785 4.053 538 HA VAL 71 HA VAL 71 -3.378 2.104 5.598 539 HB VAL 71 HB VAL 71 -2.436 1.801 7.663 540 1HG1 VAL 71 1HG1 VAL 71 -1.638 -0.801 6.320 541 2HG1 VAL 71 2HG1 VAL 71 -2.108 -0.557 8.020 542 3HG1 VAL 71 3HG1 VAL 71 -3.313 -0.353 6.725 543 1HG2 VAL 71 1HG2 VAL 71 -0.047 0.768 7.873 544 2HG2 VAL 71 2HG2 VAL 71 0.142 1.309 6.188 545 3HG2 VAL 71 3HG2 VAL 71 -0.225 2.491 7.467 546 H ILE 72 H ILE 72 -2.810 4.300 6.167 547 HA ILE 72 HA ILE 72 -0.283 5.261 5.103 548 HB ILE 72 HB ILE 72 -2.885 6.503 4.226 549 1HG1 ILE 72 1HG1 ILE 72 -1.135 4.622 2.615 550 2HG1 ILE 72 2HG1 ILE 72 -2.660 4.172 3.352 551 1HG2 ILE 72 1HG2 ILE 72 -1.622 8.145 3.439 552 2HG2 ILE 72 2HG2 ILE 72 -0.200 7.389 4.197 553 3HG2 ILE 72 3HG2 ILE 72 -0.631 6.989 2.517 554 1HD1 ILE 72 1HD1 ILE 72 -2.895 6.659 1.794 555 2HD1 ILE 72 2HD1 ILE 72 -2.334 5.288 0.808 556 3HD1 ILE 72 3HD1 ILE 72 -3.867 5.171 1.705 557 H ASP 73 H ASP 73 0.417 7.214 6.088 558 HA ASP 73 HA ASP 73 -0.764 7.595 8.641 559 1HB ASP 73 1HB ASP 73 1.759 8.090 7.374 560 2HB ASP 73 2HB ASP 73 1.173 9.647 7.924 561 HA PRO 74 HA PRO 74 -2.982 11.249 7.653 562 1HB PRO 74 1HB PRO 74 -2.694 12.836 9.859 563 2HB PRO 74 2HB PRO 74 -3.805 11.483 9.791 564 1HG PRO 74 1HG PRO 74 -1.202 11.675 11.178 565 2HG PRO 74 2HG PRO 74 -2.500 10.527 11.435 566 1HD PRO 74 1HD PRO 74 -0.038 10.050 10.042 567 2HD PRO 74 2HD PRO 74 -1.385 8.940 10.200 568 H PHE 75 H PHE 75 0.347 11.592 8.358 569 HA PHE 75 HA PHE 75 0.432 14.313 7.459 570 1HB PHE 75 1HB PHE 75 2.055 12.353 8.841 571 2HB PHE 75 2HB PHE 75 2.964 12.827 7.419 572 HD1 PHE 75 1HD PHE 75 1.781 13.845 10.684 573 HD2 PHE 75 2HD PHE 75 3.609 15.208 7.105 574 HE1 PHE 75 1HE PHE 75 2.552 15.920 11.867 575 HE2 PHE 75 2HE PHE 75 4.380 17.283 8.288 576 HZ PHE 75 HZ PHE 75 3.842 17.614 10.656 577 H SER 76 H SER 76 0.283 11.209 5.961 578 HA SER 76 HA SER 76 1.828 12.041 3.686 579 1HB SER 76 1HB SER 76 0.370 9.494 4.457 580 2HB SER 76 2HB SER 76 0.955 9.726 2.822 581 HG SER 76 HG SER 76 2.683 8.770 3.785 582 H MET 77 H MET 77 -1.447 12.136 4.860 583 HA MET 77 HA MET 77 -2.872 11.872 2.529 584 1HB MET 77 1HB MET 77 -3.323 12.616 5.237 585 2HB MET 77 2HB MET 77 -3.899 13.991 4.317 586 1HG MET 77 1HG MET 77 -4.732 11.102 3.762 587 2HG MET 77 2HG MET 77 -5.667 12.219 4.737 588 1HE MET 77 1HE MET 77 -3.954 12.280 0.904 589 2HE MET 77 2HE MET 77 -4.709 10.830 1.607 590 3HE MET 77 3HE MET 77 -5.546 11.735 0.323 591 HA PRO 78 HA PRO 78 -2.221 16.534 1.916 592 1HB PRO 78 1HB PRO 78 -0.376 17.866 3.430 593 2HB PRO 78 2HB PRO 78 -2.086 17.831 3.813 594 1HG PRO 78 1HG PRO 78 0.135 16.372 5.110 595 2HG PRO 78 2HG PRO 78 -1.477 16.686 5.721 596 1HD PRO 78 1HD PRO 78 -0.501 14.212 4.648 597 2HD PRO 78 2HD PRO 78 -2.143 14.561 5.151 598 H TYR 79 H TYR 79 -0.115 14.104 1.892 599 HA TYR 79 HA TYR 79 1.758 15.608 0.194 600 1HB TYR 79 1HB TYR 79 1.874 13.422 2.251 601 2HB TYR 79 2HB TYR 79 2.824 13.075 0.820 602 HD1 TYR 79 1HD TYR 79 5.061 13.652 0.929 603 HD2 TYR 79 2HD TYR 79 2.225 16.012 3.094 604 HE1 TYR 79 1HE TYR 79 6.946 15.095 1.839 605 HE2 TYR 79 2HE TYR 79 4.119 17.447 3.997 606 HH TYR 79 HH TYR 79 7.494 16.672 3.224 607 H VAL 80 H VAL 80 -0.533 12.914 0.443 608 HA VAL 80 HA VAL 80 -0.085 12.421 -2.411 609 HB VAL 80 HB VAL 80 -0.266 10.069 -2.100 610 1HG1 VAL 80 1HG1 VAL 80 1.673 9.742 -0.320 611 2HG1 VAL 80 2HG1 VAL 80 1.975 10.529 -1.887 612 3HG1 VAL 80 3HG1 VAL 80 1.750 11.517 -0.424 613 1HG2 VAL 80 1HG2 VAL 80 -0.156 9.520 0.622 614 2HG2 VAL 80 2HG2 VAL 80 -1.368 10.818 0.502 615 3HG2 VAL 80 3HG2 VAL 80 -1.571 9.322 -0.440 616 H ASN 81 H ASN 81 -1.924 14.274 -1.510 617 HA ASN 81 HA ASN 81 -4.371 13.251 -0.787 618 1HB ASN 81 1HB ASN 81 -5.281 15.418 -1.683 619 2HB ASN 81 2HB ASN 81 -3.852 15.666 -0.700 620 1HD2 ASN 81 1HD2 ASN 81 -5.330 16.126 -3.700 621 2HD2 ASN 81 2HD2 ASN 81 -3.997 16.777 -4.594 622 H GLY 82 H GLY 82 -5.254 11.535 -2.008 623 1HA GLY 82 1HA GLY 82 -6.223 10.474 -3.735 624 2HA GLY 82 2HA GLY 82 -6.408 12.034 -4.513 625 H ALA 83 H ALA 83 -3.120 11.411 -3.665 626 HA ALA 83 HA ALA 83 -2.405 11.212 -6.422 627 1HB ALA 83 1HB ALA 83 -0.248 11.641 -5.665 628 2HB ALA 83 2HB ALA 83 -1.217 12.373 -4.365 629 3HB ALA 83 3HB ALA 83 -0.494 10.763 -4.137 630 H GLU 84 H GLU 84 -1.101 9.454 -7.356 631 HA GLU 84 HA GLU 84 -1.805 6.919 -6.094 632 1HB GLU 84 1HB GLU 84 -1.414 7.593 -9.043 633 2HB GLU 84 2HB GLU 84 -1.664 5.968 -8.434 634 1HG GLU 84 1HG GLU 84 -3.897 6.341 -8.582 635 2HG GLU 84 2HG GLU 84 -3.739 7.457 -7.240 636 H LEU 85 H LEU 85 -0.203 5.251 -5.986 637 HA LEU 85 HA LEU 85 2.513 6.282 -6.368 638 1HB LEU 85 1HB LEU 85 2.566 5.737 -4.203 639 2HB LEU 85 2HB LEU 85 1.181 4.669 -4.317 640 HG LEU 85 HG LEU 85 2.639 2.898 -5.264 641 1HD1 LEU 85 1HD1 LEU 85 5.211 3.611 -4.583 642 2HD1 LEU 85 2HD1 LEU 85 4.537 3.567 -6.230 643 3HD1 LEU 85 3HD1 LEU 85 4.570 5.098 -5.322 644 1HD2 LEU 85 1HD2 LEU 85 4.147 3.363 -2.840 645 2HD2 LEU 85 2HD2 LEU 85 2.429 3.766 -2.609 646 3HD2 LEU 85 3HD2 LEU 85 2.894 2.149 -3.190 647 H ASP 86 H ASP 86 3.322 5.713 -8.321 648 HA ASP 86 HA ASP 86 2.469 3.182 -9.416 649 1HB ASP 86 1HB ASP 86 2.578 5.428 -10.719 650 2HB ASP 86 2HB ASP 86 4.320 5.238 -10.692 651 H TYR 87 H TYR 87 3.732 1.547 -8.418 652 HA TYR 87 HA TYR 87 6.540 2.022 -7.934 653 1HB TYR 87 1HB TYR 87 4.806 0.742 -6.470 654 2HB TYR 87 2HB TYR 87 4.764 -0.486 -7.720 655 HD1 TYR 87 1HD TYR 87 7.072 1.219 -5.330 656 HD2 TYR 87 2HD TYR 87 6.333 -2.246 -7.730 657 HE1 TYR 87 1HE TYR 87 9.045 0.038 -4.246 658 HE2 TYR 87 2HE TYR 87 8.310 -3.414 -6.638 659 HH TYR 87 HH TYR 87 10.550 -1.708 -4.671 660 H VAL 88 H VAL 88 8.044 1.752 -9.501 661 HA VAL 88 HA VAL 88 7.394 0.289 -11.869 662 HB VAL 88 HB VAL 88 9.855 1.712 -10.857 663 1HG1 VAL 88 1HG1 VAL 88 10.657 -0.083 -12.258 664 2HG1 VAL 88 2HG1 VAL 88 9.442 0.288 -13.506 665 3HG1 VAL 88 3HG1 VAL 88 10.756 1.441 -13.173 666 1HG2 VAL 88 1HG2 VAL 88 8.404 3.388 -11.456 667 2HG2 VAL 88 2HG2 VAL 88 9.174 3.076 -13.031 668 3HG2 VAL 88 3HG2 VAL 88 7.572 2.389 -12.672 669 H VAL 89 H VAL 89 8.517 -1.610 -12.662 670 HA VAL 89 HA VAL 89 9.801 -3.155 -10.522 671 HB VAL 89 HB VAL 89 7.816 -4.178 -12.562 672 1HG1 VAL 89 1HG1 VAL 89 8.679 -5.750 -10.166 673 2HG1 VAL 89 2HG1 VAL 89 8.157 -6.306 -11.775 674 3HG1 VAL 89 3HG1 VAL 89 9.793 -5.641 -11.549 675 1HG2 VAL 89 1HG2 VAL 89 7.502 -3.656 -9.587 676 2HG2 VAL 89 2HG2 VAL 89 6.654 -2.834 -10.919 677 3HG2 VAL 89 3HG2 VAL 89 6.337 -4.554 -10.590 678 H ASP 90 H ASP 90 11.827 -3.771 -11.066 679 HA ASP 90 HA ASP 90 12.372 -4.658 -13.689 680 1HB ASP 90 1HB ASP 90 13.654 -2.063 -12.710 681 2HB ASP 90 2HB ASP 90 14.223 -2.971 -14.097 682 H PHE 91 H PHE 91 15.159 -4.609 -13.698 683 HA PHE 91 HA PHE 91 16.758 -5.946 -12.868 684 1HB PHE 91 1HB PHE 91 16.724 -3.435 -11.833 685 2HB PHE 91 2HB PHE 91 16.439 -4.291 -10.330 686 HD1 PHE 91 1HD PHE 91 18.688 -4.888 -13.261 687 HD2 PHE 91 2HD PHE 91 18.348 -4.404 -9.059 688 HE1 PHE 91 1HE PHE 91 21.155 -5.281 -13.017 689 HE2 PHE 91 2HE PHE 91 20.815 -4.797 -8.814 690 HZ PHE 91 HZ PHE 91 22.189 -5.231 -10.796 691 H MET 92 H MET 92 17.141 -6.000 -9.751 692 HA MET 92 HA MET 92 15.603 -8.424 -9.462 693 1HB MET 92 1HB MET 92 18.155 -7.339 -8.498 694 2HB MET 92 2HB MET 92 17.202 -7.900 -7.138 695 1HG MET 92 1HG MET 92 17.276 -10.125 -7.814 696 2HG MET 92 2HG MET 92 17.291 -9.725 -9.520 697 1HE MET 92 1HE MET 92 20.649 -11.645 -9.099 698 2HE MET 92 2HE MET 92 19.253 -11.940 -8.034 699 3HE MET 92 3HE MET 92 19.000 -11.639 -9.770 700 H GLY 93 H GLY 93 14.292 -5.731 -9.349 701 1HA GLY 93 1HA GLY 93 12.630 -6.174 -7.113 702 2HA GLY 93 2HA GLY 93 13.775 -4.902 -6.735 703 H GLY 94 H GLY 94 13.360 -2.830 -7.431 704 1HA GLY 94 1HA GLY 94 12.249 -2.061 -9.828 705 2HA GLY 94 2HA GLY 94 10.886 -2.300 -8.752 706 H GLY 95 H GLY 95 10.786 0.165 -9.298 707 1HA GLY 95 1HA GLY 95 12.167 1.582 -7.115 708 2HA GLY 95 2HA GLY 95 12.234 2.210 -8.750 709 H PHE 96 H PHE 96 10.679 2.626 -5.877 710 HA PHE 96 HA PHE 96 7.976 2.763 -6.722 711 1HB PHE 96 1HB PHE 96 7.868 4.086 -4.493 712 2HB PHE 96 2HB PHE 96 8.539 2.473 -4.363 713 HD1 PHE 96 1HD PHE 96 10.835 2.130 -3.768 714 HD2 PHE 96 2HD PHE 96 9.358 6.059 -4.396 715 HE1 PHE 96 1HE PHE 96 12.912 3.078 -2.725 716 HE2 PHE 96 2HE PHE 96 11.435 7.006 -3.352 717 HZ PHE 96 HZ PHE 96 13.187 5.505 -2.529 718 H THR 97 H THR 97 7.093 4.269 -8.050 719 HA THR 97 HA THR 97 8.249 6.976 -7.949 720 HB THR 97 HB THR 97 7.531 5.183 -10.304 721 HG1 THR 97 1HG THR 97 9.695 6.237 -10.849 722 1HG2 THR 97 1HG2 THR 97 6.548 7.105 -11.204 723 2HG2 THR 97 2HG2 THR 97 7.421 8.189 -10.094 724 3HG2 THR 97 3HG2 THR 97 8.256 7.501 -11.508 725 H ILE 98 H ILE 98 6.809 8.728 -8.198 726 HA ILE 98 HA ILE 98 3.981 8.017 -8.225 727 HB ILE 98 HB ILE 98 5.301 9.687 -6.083 728 1HG1 ILE 98 1HG1 ILE 98 3.924 7.742 -4.783 729 2HG1 ILE 98 2HG1 ILE 98 4.401 6.863 -6.222 730 1HG2 ILE 98 1HG2 ILE 98 2.661 9.236 -5.361 731 2HG2 ILE 98 2HG2 ILE 98 3.353 10.759 -5.968 732 3HG2 ILE 98 3HG2 ILE 98 2.569 9.627 -7.095 733 1HD1 ILE 98 1HD1 ILE 98 6.487 8.556 -4.855 734 2HD1 ILE 98 2HD1 ILE 98 6.019 7.013 -4.101 735 3HD1 ILE 98 3HD1 ILE 98 6.679 7.031 -5.754 736 H ARG 99 H ARG 99 2.624 9.668 -9.064 737 HA ARG 99 HA ARG 99 4.140 11.896 -10.167 738 1HB ARG 99 1HB ARG 99 3.110 9.946 -11.721 739 2HB ARG 99 2HB ARG 99 1.644 10.889 -11.542 740 1HG ARG 99 1HG ARG 99 3.129 12.946 -12.211 741 2HG ARG 99 2HG ARG 99 4.292 11.755 -12.760 742 1HD ARG 99 1HD ARG 99 2.977 12.250 -14.694 743 2HD ARG 99 2HD ARG 99 2.372 10.703 -14.137 744 HE ARG 99 HE ARG 99 0.756 12.514 -12.807 745 1HH1 ARG 99 2HH2 ARG 99 1.611 12.043 -16.188 746 2HH1 ARG 99 1HH2 ARG 99 0.109 12.665 -16.787 747 1HH2 ARG 99 2HH1 ARG 99 -1.226 13.334 -13.597 748 2HH2 ARG 99 1HH1 ARG 99 -1.515 13.404 -15.303 749 H ASN 100 H ASN 100 2.903 13.939 -10.414 750 HA ASN 100 HA ASN 100 0.447 13.936 -8.853 751 1HB ASN 100 1HB ASN 100 2.903 15.699 -8.572 752 2HB ASN 100 2HB ASN 100 1.332 16.370 -8.181 753 1HD2 ASN 100 1HD2 ASN 100 2.343 16.556 -6.054 754 2HD2 ASN 100 2HD2 ASN 100 2.253 15.230 -4.944 755 HA PRO 101 HA PRO 101 -0.737 16.169 -12.471 756 1HB PRO 101 1HB PRO 101 -3.346 16.647 -11.812 757 2HB PRO 101 2HB PRO 101 -2.799 15.146 -12.531 758 1HG PRO 101 1HG PRO 101 -3.570 15.686 -9.729 759 2HG PRO 101 2HG PRO 101 -3.436 14.145 -10.553 760 1HD PRO 101 1HD PRO 101 -1.565 15.263 -8.688 761 2HD PRO 101 2HD PRO 101 -1.376 13.778 -9.599 Start of MODEL 19 1 H MET 1 H MET 1 -13.508 -0.427 22.378 2 HA MET 1 HA MET 1 -15.154 -1.099 20.132 3 1HB MET 1 1HB MET 1 -15.894 0.940 22.246 4 2HB MET 1 2HB MET 1 -16.241 1.356 20.579 5 1HG MET 1 1HG MET 1 -17.455 -0.883 20.354 6 2HG MET 1 2HG MET 1 -17.235 -1.115 22.077 7 1HE MET 1 1HE MET 1 -21.020 -0.137 21.668 8 2HE MET 1 2HE MET 1 -20.114 -0.791 20.282 9 3HE MET 1 3HE MET 1 -19.846 -1.453 21.912 10 H GLN 2 H GLN 2 -13.379 -0.838 18.753 11 HA GLN 2 HA GLN 2 -12.706 1.848 18.176 12 1HB GLN 2 1HB GLN 2 -11.137 0.855 20.154 13 2HB GLN 2 2HB GLN 2 -10.248 0.239 18.775 14 1HG GLN 2 1HG GLN 2 -9.397 2.293 18.322 15 2HG GLN 2 2HG GLN 2 -11.000 2.999 18.259 16 1HE2 GLN 2 1HE2 GLN 2 -11.912 3.937 20.062 17 2HE2 GLN 2 2HE2 GLN 2 -11.010 4.365 21.477 18 H GLU 3 H GLU 3 -12.443 1.973 15.978 19 HA GLU 3 HA GLU 3 -11.226 -0.254 14.631 20 1HB GLU 3 1HB GLU 3 -14.042 -0.084 14.767 21 2HB GLU 3 2HB GLU 3 -13.645 0.532 13.176 22 1HG GLU 3 1HG GLU 3 -12.310 -1.504 12.688 23 2HG GLU 3 2HG GLU 3 -12.608 -2.111 14.305 24 H GLN 4 H GLN 4 -10.621 0.300 12.360 25 HA GLN 4 HA GLN 4 -9.828 3.014 12.252 26 1HB GLN 4 1HB GLN 4 -8.411 1.130 11.430 27 2HB GLN 4 2HB GLN 4 -9.581 0.799 10.169 28 1HG GLN 4 1HG GLN 4 -7.707 2.171 9.299 29 2HG GLN 4 2HG GLN 4 -9.223 3.044 9.191 30 1HE2 GLN 4 1HE2 GLN 4 -8.399 5.064 9.249 31 2HE2 GLN 4 2HE2 GLN 4 -7.616 5.777 10.620 32 H ALA 5 H ALA 5 -11.968 4.066 12.268 33 HA ALA 5 HA ALA 5 -13.757 3.582 10.099 34 1HB ALA 5 1HB ALA 5 -15.045 4.437 11.743 35 2HB ALA 5 2HB ALA 5 -13.643 5.142 12.583 36 3HB ALA 5 3HB ALA 5 -14.421 6.030 11.251 37 H GLN 6 H GLN 6 -14.472 5.498 8.664 38 HA GLN 6 HA GLN 6 -14.037 6.987 7.142 39 1HB GLN 6 1HB GLN 6 -13.233 8.498 8.866 40 2HB GLN 6 2HB GLN 6 -11.678 7.692 8.935 41 1HG GLN 6 1HG GLN 6 -10.976 8.566 6.848 42 2HG GLN 6 2HG GLN 6 -12.616 8.862 6.303 43 1HE2 GLN 6 1HE2 GLN 6 -13.308 10.854 6.349 44 2HE2 GLN 6 2HE2 GLN 6 -12.714 12.152 7.329 45 H GLN 7 H GLN 7 -13.194 6.797 5.068 46 HA GLN 7 HA GLN 7 -10.780 5.170 4.874 47 1HB GLN 7 1HB GLN 7 -11.699 4.121 2.858 48 2HB GLN 7 2HB GLN 7 -12.805 3.895 4.198 49 1HG GLN 7 1HG GLN 7 -13.876 6.174 3.280 50 2HG GLN 7 2HG GLN 7 -13.085 5.699 1.790 51 1HE2 GLN 7 1HE2 GLN 7 -15.207 5.532 0.911 52 2HE2 GLN 7 2HE2 GLN 7 -16.169 4.111 1.145 53 H PHE 8 H PHE 8 -9.120 6.418 4.136 54 HA PHE 8 HA PHE 8 -9.621 8.884 2.835 55 1HB PHE 8 1HB PHE 8 -7.230 9.071 3.031 56 2HB PHE 8 2HB PHE 8 -7.649 8.020 4.370 57 HD1 PHE 8 1HD PHE 8 -8.142 5.497 2.727 58 HD2 PHE 8 2HD PHE 8 -5.007 8.357 2.674 59 HE1 PHE 8 1HE PHE 8 -6.565 3.752 1.851 60 HE2 PHE 8 2HE PHE 8 -3.430 6.611 1.798 61 HZ PHE 8 HZ PHE 8 -4.228 4.330 1.397 62 H ILE 9 H ILE 9 -8.805 9.516 0.680 63 HA ILE 9 HA ILE 9 -9.395 7.429 -1.231 64 HB ILE 9 HB ILE 9 -8.811 10.370 -1.598 65 1HG1 ILE 9 1HG1 ILE 9 -10.873 9.656 -0.220 66 2HG1 ILE 9 2HG1 ILE 9 -11.087 10.805 -1.526 67 1HG2 ILE 9 1HG2 ILE 9 -10.030 9.920 -3.807 68 2HG2 ILE 9 2HG2 ILE 9 -8.344 9.369 -3.662 69 3HG2 ILE 9 3HG2 ILE 9 -9.677 8.201 -3.506 70 1HD1 ILE 9 1HD1 ILE 9 -11.590 7.799 -1.718 71 2HD1 ILE 9 2HD1 ILE 9 -12.840 9.061 -1.600 72 3HD1 ILE 9 3HD1 ILE 9 -11.806 8.966 -3.045 73 H PHE 10 H PHE 10 -7.950 6.513 -2.686 74 HA PHE 10 HA PHE 10 -5.289 7.551 -2.885 75 1HB PHE 10 1HB PHE 10 -5.517 6.091 -0.710 76 2HB PHE 10 2HB PHE 10 -5.785 4.729 -1.779 77 HD1 PHE 10 1HD PHE 10 -3.919 3.374 -1.657 78 HD2 PHE 10 2HD PHE 10 -3.371 7.568 -1.996 79 HE1 PHE 10 1HE PHE 10 -1.439 3.035 -1.848 80 HE2 PHE 10 2HE PHE 10 -0.891 7.229 -2.187 81 HZ PHE 10 HZ PHE 10 0.045 4.967 -2.111 82 H LYS 11 H LYS 11 -4.156 6.688 -4.697 83 HA LYS 11 HA LYS 11 -5.613 4.650 -6.210 84 1HB LYS 11 1HB LYS 11 -4.634 7.299 -7.317 85 2HB LYS 11 2HB LYS 11 -5.223 5.963 -8.285 86 1HG LYS 11 1HG LYS 11 -7.034 6.757 -6.054 87 2HG LYS 11 2HG LYS 11 -6.808 7.992 -7.277 88 1HD LYS 11 1HD LYS 11 -8.083 6.863 -8.784 89 2HD LYS 11 2HD LYS 11 -7.188 5.377 -8.534 90 1HE LYS 11 1HE LYS 11 -8.532 4.862 -6.518 91 2HE LYS 11 2HE LYS 11 -9.373 6.393 -6.654 92 1HZ LYS 11 1HZ LYS 11 -9.757 5.360 -9.067 93 2HZ LYS 11 2HZ LYS 11 -9.727 3.994 -8.173 94 3HZ LYS 11 3HZ LYS 11 -10.800 5.174 -7.824 95 H VAL 12 H VAL 12 -4.276 2.961 -6.518 96 HA VAL 12 HA VAL 12 -1.453 3.583 -7.008 97 HB VAL 12 HB VAL 12 -2.307 2.610 -4.645 98 1HG1 VAL 12 1HG1 VAL 12 -2.072 0.232 -4.503 99 2HG1 VAL 12 2HG1 VAL 12 -3.234 0.572 -5.807 100 3HG1 VAL 12 3HG1 VAL 12 -1.559 0.119 -6.204 101 1HG2 VAL 12 1HG2 VAL 12 0.038 1.574 -4.476 102 2HG2 VAL 12 2HG2 VAL 12 0.254 2.091 -6.165 103 3HG2 VAL 12 3HG2 VAL 12 -0.069 3.299 -4.899 104 H THR 13 H THR 13 -0.588 2.541 -8.763 105 HA THR 13 HA THR 13 -2.305 1.272 -10.570 106 HB THR 13 HB THR 13 0.082 0.633 -11.549 107 HG1 THR 13 1HG THR 13 1.049 0.966 -9.371 108 1HG2 THR 13 1HG2 THR 13 -0.889 2.536 -12.595 109 2HG2 THR 13 2HG2 THR 13 -1.005 3.430 -11.060 110 3HG2 THR 13 3HG2 THR 13 0.577 3.216 -11.848 111 H ASP 14 H ASP 14 -1.812 -0.973 -11.537 112 HA ASP 14 HA ASP 14 -2.415 -2.802 -9.523 113 1HB ASP 14 1HB ASP 14 -2.030 -2.796 -12.460 114 2HB ASP 14 2HB ASP 14 -1.561 -4.314 -11.721 115 H LYS 15 H LYS 15 0.561 -1.661 -11.072 116 HA LYS 15 HA LYS 15 2.184 -3.889 -10.507 117 1HB LYS 15 1HB LYS 15 2.430 -1.547 -11.941 118 2HB LYS 15 2HB LYS 15 3.507 -1.263 -10.590 119 1HG LYS 15 1HG LYS 15 4.489 -3.608 -11.043 120 2HG LYS 15 2HG LYS 15 3.574 -3.607 -12.537 121 1HD LYS 15 1HD LYS 15 4.725 -1.263 -12.953 122 2HD LYS 15 2HD LYS 15 5.863 -1.789 -11.728 123 1HE LYS 15 1HE LYS 15 6.968 -2.793 -13.460 124 2HE LYS 15 2HE LYS 15 5.747 -4.042 -13.322 125 1HZ LYS 15 1HZ LYS 15 5.813 -3.296 -15.543 126 2HZ LYS 15 2HZ LYS 15 4.414 -2.737 -14.911 127 3HZ LYS 15 3HZ LYS 15 5.677 -1.724 -15.120 128 H ALA 16 H ALA 16 1.467 -0.820 -8.737 129 HA ALA 16 HA ALA 16 3.248 -1.256 -6.642 130 1HB ALA 16 1HB ALA 16 0.580 0.126 -6.315 131 2HB ALA 16 2HB ALA 16 2.164 0.561 -5.628 132 3HB ALA 16 3HB ALA 16 1.840 0.827 -7.358 133 H VAL 17 H VAL 17 -0.265 -2.093 -7.002 134 HA VAL 17 HA VAL 17 -0.507 -3.279 -4.488 135 HB VAL 17 HB VAL 17 -2.016 -3.089 -6.998 136 1HG1 VAL 17 1HG1 VAL 17 -2.178 -5.418 -7.054 137 2HG1 VAL 17 2HG1 VAL 17 -2.191 -5.561 -5.280 138 3HG1 VAL 17 3HG1 VAL 17 -3.623 -4.937 -6.133 139 1HG2 VAL 17 1HG2 VAL 17 -2.226 -1.969 -4.558 140 2HG2 VAL 17 2HG2 VAL 17 -3.611 -2.176 -5.657 141 3HG2 VAL 17 3HG2 VAL 17 -3.335 -3.344 -4.343 142 H GLU 18 H GLU 18 0.406 -4.603 -7.721 143 HA GLU 18 HA GLU 18 0.460 -7.247 -6.958 144 1HB GLU 18 1HB GLU 18 1.492 -5.604 -9.188 145 2HB GLU 18 2HB GLU 18 2.469 -7.026 -8.880 146 1HG GLU 18 1HG GLU 18 0.031 -8.196 -8.734 147 2HG GLU 18 2HG GLU 18 -0.402 -6.846 -9.764 148 H GLU 19 H GLU 19 2.956 -4.659 -6.739 149 HA GLU 19 HA GLU 19 5.100 -6.209 -6.091 150 1HB GLU 19 1HB GLU 19 5.219 -3.784 -6.551 151 2HB GLU 19 2HB GLU 19 4.369 -3.433 -5.059 152 1HG GLU 19 1HG GLU 19 6.489 -3.216 -4.204 153 2HG GLU 19 2HG GLU 19 6.394 -4.959 -4.053 154 H ILE 20 H ILE 20 2.240 -5.396 -4.185 155 HA ILE 20 HA ILE 20 3.453 -6.122 -1.686 156 HB ILE 20 HB ILE 20 0.506 -5.874 -2.147 157 1HG1 ILE 20 1HG1 ILE 20 1.096 -3.979 -3.341 158 2HG1 ILE 20 2HG1 ILE 20 0.904 -3.355 -1.714 159 1HG2 ILE 20 1HG2 ILE 20 2.426 -5.563 0.118 160 2HG2 ILE 20 2HG2 ILE 20 0.956 -4.559 0.109 161 3HG2 ILE 20 3HG2 ILE 20 0.822 -6.333 0.065 162 1HD1 ILE 20 1HD1 ILE 20 3.571 -4.126 -1.706 163 2HD1 ILE 20 2HD1 ILE 20 3.343 -3.556 -3.377 164 3HD1 ILE 20 3HD1 ILE 20 2.985 -2.473 -2.010 165 H LYS 21 H LYS 21 1.440 -7.629 -4.232 166 HA LYS 21 HA LYS 21 0.843 -9.942 -2.717 167 1HB LYS 21 1HB LYS 21 0.682 -9.222 -5.643 168 2HB LYS 21 2HB LYS 21 0.319 -10.841 -5.082 169 1HG LYS 21 1HG LYS 21 -1.740 -10.180 -4.407 170 2HG LYS 21 2HG LYS 21 -1.034 -8.991 -3.331 171 1HD LYS 21 1HD LYS 21 -2.394 -7.708 -4.805 172 2HD LYS 21 2HD LYS 21 -0.767 -7.472 -5.411 173 1HE LYS 21 1HE LYS 21 -1.479 -8.214 -7.434 174 2HE LYS 21 2HE LYS 21 -1.671 -9.807 -6.730 175 1HZ LYS 21 1HZ LYS 21 -3.900 -9.041 -5.995 176 2HZ LYS 21 2HZ LYS 21 -3.703 -7.701 -6.908 177 3HZ LYS 21 3HZ LYS 21 -3.729 -9.174 -7.614 178 H LYS 22 H LYS 22 3.251 -9.238 -5.343 179 HA LYS 22 HA LYS 22 4.446 -11.730 -5.327 180 1HB LYS 22 1HB LYS 22 6.427 -10.456 -6.279 181 2HB LYS 22 2HB LYS 22 4.904 -10.298 -7.132 182 1HG LYS 22 1HG LYS 22 4.790 -8.059 -6.727 183 2HG LYS 22 2HG LYS 22 5.150 -8.267 -5.024 184 1HD LYS 22 1HD LYS 22 7.146 -8.095 -7.323 185 2HD LYS 22 2HD LYS 22 6.946 -6.956 -6.006 186 1HE LYS 22 1HE LYS 22 7.432 -9.198 -4.541 187 2HE LYS 22 2HE LYS 22 8.284 -9.647 -6.006 188 1HZ LYS 22 1HZ LYS 22 9.278 -8.089 -4.085 189 2HZ LYS 22 2HZ LYS 22 9.837 -8.129 -5.618 190 3HZ LYS 22 3HZ LYS 22 8.784 -6.967 -5.163 191 H VAL 23 H VAL 23 4.903 -8.881 -3.204 192 HA VAL 23 HA VAL 23 7.223 -9.877 -1.942 193 HB VAL 23 HB VAL 23 5.165 -7.774 -1.331 194 1HG1 VAL 23 1HG1 VAL 23 7.473 -8.633 0.442 195 2HG1 VAL 23 2HG1 VAL 23 6.623 -7.076 0.591 196 3HG1 VAL 23 3HG1 VAL 23 5.741 -8.600 0.851 197 1HG2 VAL 23 1HG2 VAL 23 7.072 -7.569 -3.080 198 2HG2 VAL 23 2HG2 VAL 23 6.818 -6.236 -1.928 199 3HG2 VAL 23 3HG2 VAL 23 8.139 -7.400 -1.665 200 H ALA 24 H ALA 24 3.781 -9.656 -0.775 201 HA ALA 24 HA ALA 24 4.131 -11.151 1.504 202 1HB ALA 24 1HB ALA 24 2.031 -10.329 1.583 203 2HB ALA 24 2HB ALA 24 1.933 -10.199 -0.190 204 3HB ALA 24 3HB ALA 24 1.555 -11.743 0.612 205 H GLN 25 H GLN 25 3.177 -12.253 -1.820 206 HA GLN 25 HA GLN 25 2.800 -14.865 -1.291 207 1HB GLN 25 1HB GLN 25 3.752 -13.316 -3.672 208 2HB GLN 25 2HB GLN 25 3.974 -15.053 -3.737 209 1HG GLN 25 1HG GLN 25 1.497 -15.274 -3.053 210 2HG GLN 25 2HG GLN 25 1.355 -13.548 -3.322 211 1HE2 GLN 25 1HE2 GLN 25 0.801 -16.430 -4.666 212 2HE2 GLN 25 2HE2 GLN 25 0.935 -16.077 -6.356 213 H GLU 26 H GLU 26 5.902 -13.100 -1.640 214 HA GLU 26 HA GLU 26 7.409 -15.515 -1.552 215 1HB GLU 26 1HB GLU 26 7.920 -13.022 -2.533 216 2HB GLU 26 2HB GLU 26 8.726 -12.890 -0.983 217 1HG GLU 26 1HG GLU 26 9.228 -15.414 -2.527 218 2HG GLU 26 2HG GLU 26 9.915 -13.948 -3.197 219 H ASN 27 H ASN 27 5.972 -13.294 0.732 220 HA ASN 27 HA ASN 27 7.767 -14.153 2.822 221 1HB ASN 27 1HB ASN 27 5.332 -12.391 3.262 222 2HB ASN 27 2HB ASN 27 6.857 -12.375 4.125 223 1HD2 ASN 27 1HD2 ASN 27 8.524 -12.552 1.786 224 2HD2 ASN 27 2HD2 ASN 27 8.493 -11.017 0.984 225 H ASN 28 H ASN 28 5.097 -15.357 1.234 226 HA ASN 28 HA ASN 28 3.588 -16.853 1.663 227 1HB ASN 28 1HB ASN 28 5.676 -17.622 3.287 228 2HB ASN 28 2HB ASN 28 4.422 -17.410 4.493 229 1HD2 ASN 28 1HD2 ASN 28 5.246 -18.999 1.455 230 2HD2 ASN 28 2HD2 ASN 28 4.194 -20.366 1.612 231 H ILE 29 H ILE 29 3.288 -13.975 2.531 232 HA ILE 29 HA ILE 29 1.505 -14.271 4.831 233 HB ILE 29 HB ILE 29 2.734 -11.825 3.556 234 1HG1 ILE 29 1HG1 ILE 29 3.349 -13.214 6.182 235 2HG1 ILE 29 2HG1 ILE 29 4.348 -13.263 4.743 236 1HG2 ILE 29 1HG2 ILE 29 0.902 -10.841 4.444 237 2HG2 ILE 29 2HG2 ILE 29 0.600 -12.170 5.590 238 3HG2 ILE 29 3HG2 ILE 29 1.854 -10.957 5.943 239 1HD1 ILE 29 1HD1 ILE 29 5.348 -11.521 5.956 240 2HD1 ILE 29 2HD1 ILE 29 4.240 -10.621 4.892 241 3HD1 ILE 29 3HD1 ILE 29 3.790 -10.932 6.586 242 H GLU 30 H GLU 30 -0.684 -13.615 4.734 243 HA GLU 30 HA GLU 30 -1.624 -13.306 1.989 244 1HB GLU 30 1HB GLU 30 -2.324 -15.227 3.980 245 2HB GLU 30 2HB GLU 30 -3.711 -14.169 3.818 246 1HG GLU 30 1HG GLU 30 -4.016 -14.684 1.531 247 2HG GLU 30 2HG GLU 30 -2.350 -15.181 1.312 248 H ASN 31 H ASN 31 -0.899 -11.506 4.605 249 HA ASN 31 HA ASN 31 -3.035 -9.660 3.999 250 1HB ASN 31 1HB ASN 31 -3.393 -11.113 6.223 251 2HB ASN 31 2HB ASN 31 -2.212 -10.010 6.900 252 1HD2 ASN 31 1HD2 ASN 31 -5.163 -10.456 7.282 253 2HD2 ASN 31 2HD2 ASN 31 -5.898 -8.894 7.142 254 HA PRO 32 HA PRO 32 1.191 -7.902 4.390 255 1HB PRO 32 1HB PRO 32 1.419 -6.853 1.877 256 2HB PRO 32 2HB PRO 32 2.038 -8.433 2.316 257 1HG PRO 32 1HG PRO 32 -0.371 -7.758 0.741 258 2HG PRO 32 2HG PRO 32 0.490 -9.282 0.832 259 1HD PRO 32 1HD PRO 32 -1.990 -8.633 2.119 260 2HD PRO 32 2HD PRO 32 -1.071 -10.113 2.301 261 H ILE 33 H ILE 33 1.435 -6.074 5.501 262 HA ILE 33 HA ILE 33 -0.566 -4.028 4.863 263 HB ILE 33 HB ILE 33 0.883 -4.788 7.379 264 1HG1 ILE 33 1HG1 ILE 33 -1.765 -4.254 7.947 265 2HG1 ILE 33 2HG1 ILE 33 -1.861 -4.935 6.335 266 1HG2 ILE 33 1HG2 ILE 33 -0.509 -2.642 8.201 267 2HG2 ILE 33 2HG2 ILE 33 1.203 -2.575 7.718 268 3HG2 ILE 33 3HG2 ILE 33 -0.065 -2.096 6.566 269 1HD1 ILE 33 1HD1 ILE 33 -0.034 -6.638 7.528 270 2HD1 ILE 33 2HD1 ILE 33 -1.106 -6.234 8.891 271 3HD1 ILE 33 3HD1 ILE 33 -1.782 -6.950 7.408 272 H LEU 34 H LEU 34 0.395 -2.895 3.182 273 HA LEU 34 HA LEU 34 3.162 -2.078 3.532 274 1HB LEU 34 1HB LEU 34 1.207 -2.088 1.259 275 2HB LEU 34 2HB LEU 34 2.618 -1.050 1.198 276 HG LEU 34 HG LEU 34 2.623 -3.482 0.164 277 1HD1 LEU 34 1HD1 LEU 34 5.190 -3.248 1.424 278 2HD1 LEU 34 2HD1 LEU 34 4.718 -2.895 -0.255 279 3HD1 LEU 34 3HD1 LEU 34 4.593 -1.628 0.989 280 1HD2 LEU 34 1HD2 LEU 34 3.615 -5.146 1.666 281 2HD2 LEU 34 2HD2 LEU 34 3.445 -4.017 3.032 282 3HD2 LEU 34 3HD2 LEU 34 1.996 -4.646 2.213 283 H ARG 35 H ARG 35 3.594 -0.276 4.676 284 HA ARG 35 HA ARG 35 1.486 1.701 4.814 285 1HB ARG 35 1HB ARG 35 2.365 0.967 6.981 286 2HB ARG 35 2HB ARG 35 4.016 1.257 6.471 287 1HG ARG 35 1HG ARG 35 2.713 3.727 6.034 288 2HG ARG 35 2HG ARG 35 2.045 3.151 7.548 289 1HD ARG 35 1HD ARG 35 5.045 3.244 6.976 290 2HD ARG 35 2HD ARG 35 4.178 4.547 7.765 291 HE ARG 35 HE ARG 35 3.437 2.445 9.322 292 1HH1 ARG 35 2HH2 ARG 35 6.598 3.391 8.099 293 2HH1 ARG 35 1HH2 ARG 35 7.460 2.714 9.440 294 1HH2 ARG 35 2HH1 ARG 35 4.575 1.552 11.091 295 2HH2 ARG 35 1HH1 ARG 35 6.302 1.661 11.153 296 H ILE 36 H ILE 36 1.731 3.766 3.919 297 HA ILE 36 HA ILE 36 4.102 4.154 2.299 298 HB ILE 36 HB ILE 36 1.402 5.461 2.469 299 1HG1 ILE 36 1HG1 ILE 36 1.395 3.442 1.205 300 2HG1 ILE 36 2HG1 ILE 36 1.339 4.771 0.065 301 1HG2 ILE 36 1HG2 ILE 36 2.509 6.711 0.349 302 2HG2 ILE 36 2HG2 ILE 36 2.445 7.402 1.988 303 3HG2 ILE 36 3HG2 ILE 36 3.927 6.598 1.419 304 1HD1 ILE 36 1HD1 ILE 36 3.649 2.926 0.710 305 2HD1 ILE 36 2HD1 ILE 36 2.986 3.382 -0.877 306 3HD1 ILE 36 3HD1 ILE 36 3.970 4.544 0.044 307 H ARG 37 H ARG 37 5.849 5.197 3.072 308 HA ARG 37 HA ARG 37 5.316 7.252 5.062 309 1HB ARG 37 1HB ARG 37 6.456 4.996 5.844 310 2HB ARG 37 2HB ARG 37 7.886 5.625 5.049 311 1HG ARG 37 1HG ARG 37 8.154 7.366 6.581 312 2HG ARG 37 2HG ARG 37 6.438 7.488 6.915 313 1HD ARG 37 1HD ARG 37 6.464 5.699 8.453 314 2HD ARG 37 2HD ARG 37 7.883 4.961 7.736 315 HE ARG 37 HE ARG 37 8.849 7.383 8.659 316 1HH1 ARG 37 2HH2 ARG 37 7.045 4.760 10.158 317 2HH1 ARG 37 1HH2 ARG 37 7.707 5.034 11.735 318 1HH2 ARG 37 2HH1 ARG 37 9.723 7.746 10.739 319 2HH2 ARG 37 1HH1 ARG 37 9.240 6.745 12.068 320 H VAL 38 H VAL 38 5.856 9.223 4.178 321 HA VAL 38 HA VAL 38 7.117 9.631 1.815 322 HB VAL 38 HB VAL 38 7.175 11.396 4.272 323 1HG1 VAL 38 1HG1 VAL 38 7.241 13.243 2.536 324 2HG1 VAL 38 2HG1 VAL 38 8.731 12.284 2.701 325 3HG1 VAL 38 3HG1 VAL 38 7.629 11.988 1.335 326 1HG2 VAL 38 1HG2 VAL 38 4.981 11.693 4.017 327 2HG2 VAL 38 2HG2 VAL 38 5.213 12.161 2.316 328 3HG2 VAL 38 3HG2 VAL 38 4.977 10.449 2.743 329 H VAL 39 H VAL 39 9.191 9.654 1.032 330 HA VAL 39 HA VAL 39 11.321 9.339 3.031 331 HB VAL 39 HB VAL 39 10.907 7.871 0.423 332 1HG1 VAL 39 1HG1 VAL 39 13.254 8.522 0.593 333 2HG1 VAL 39 2HG1 VAL 39 13.337 7.867 2.246 334 3HG1 VAL 39 3HG1 VAL 39 13.075 6.773 0.867 335 1HG2 VAL 39 1HG2 VAL 39 10.651 7.180 3.306 336 2HG2 VAL 39 2HG2 VAL 39 9.765 6.562 1.891 337 3HG2 VAL 39 3HG2 VAL 39 11.399 5.956 2.252 338 HA PRO 40 HA PRO 40 12.223 12.908 0.457 339 1HB PRO 40 1HB PRO 40 12.996 14.583 2.472 340 2HB PRO 40 2HB PRO 40 11.358 14.520 1.855 341 1HG PRO 40 1HG PRO 40 12.427 13.435 4.388 342 2HG PRO 40 2HG PRO 40 10.762 13.759 3.949 343 1HD PRO 40 1HD PRO 40 12.045 11.195 4.041 344 2HD PRO 40 2HD PRO 40 10.415 11.533 3.492 345 H GLY 41 H GLY 41 13.831 11.367 -0.362 346 1HA GLY 41 1HA GLY 41 16.442 12.415 0.235 347 2HA GLY 41 2HA GLY 41 16.203 10.786 0.834 348 H GLY 42 H GLY 42 17.960 11.843 -1.389 349 1HA GLY 42 1HA GLY 42 18.641 10.393 -3.155 350 2HA GLY 42 2HA GLY 42 16.960 10.036 -3.498 351 H CYS 43 H CYS 43 18.296 10.754 -5.685 352 HA CYS 43 HA CYS 43 18.570 13.515 -6.086 353 1HB CYS 43 1HB CYS 43 18.761 11.066 -7.711 354 2HB CYS 43 2HB CYS 43 18.195 12.460 -8.609 355 HG CYS 43 HG CYS 43 20.486 13.001 -9.072 356 H SER 44 H SER 44 15.888 11.190 -6.237 357 HA SER 44 HA SER 44 14.211 13.264 -7.396 358 1HB SER 44 1HB SER 44 14.391 10.786 -8.297 359 2HB SER 44 2HB SER 44 13.334 10.400 -6.954 360 HG SER 44 HG SER 44 11.666 11.382 -7.920 361 H GLY 45 H GLY 45 14.426 10.840 -4.711 362 1HA GLY 45 1HA GLY 45 13.297 10.675 -2.760 363 2HA GLY 45 2HA GLY 45 13.625 12.393 -2.648 364 H PHE 46 H PHE 46 11.621 12.776 -1.515 365 HA PHE 46 HA PHE 46 9.539 13.524 -1.465 366 1HB PHE 46 1HB PHE 46 10.289 13.959 -4.066 367 2HB PHE 46 2HB PHE 46 9.052 12.753 -4.360 368 HD1 PHE 46 1HD PHE 46 6.779 13.343 -4.360 369 HD2 PHE 46 2HD PHE 46 9.632 16.059 -2.781 370 HE1 PHE 46 1HE PHE 46 5.013 15.121 -4.227 371 HE2 PHE 46 2HE PHE 46 7.866 17.837 -2.648 372 HZ PHE 46 HZ PHE 46 5.577 17.347 -3.372 373 H GLN 47 H GLN 47 9.590 10.814 -3.899 374 HA GLN 47 HA GLN 47 7.171 9.769 -3.053 375 1HB GLN 47 1HB GLN 47 7.933 7.704 -4.302 376 2HB GLN 47 2HB GLN 47 8.042 9.188 -5.226 377 1HG GLN 47 1HG GLN 47 10.099 7.869 -5.526 378 2HG GLN 47 2HG GLN 47 10.471 9.362 -4.686 379 1HE2 GLN 47 1HE2 GLN 47 12.146 8.854 -3.460 380 2HE2 GLN 47 2HE2 GLN 47 12.204 7.601 -2.265 381 H TYR 48 H TYR 48 6.892 7.487 -2.079 382 HA TYR 48 HA TYR 48 8.841 7.157 0.102 383 1HB TYR 48 1HB TYR 48 6.519 6.047 1.024 384 2HB TYR 48 2HB TYR 48 6.834 7.761 1.203 385 HD1 TYR 48 1HD TYR 48 5.338 5.363 -1.268 386 HD2 TYR 48 2HD TYR 48 5.226 9.273 0.466 387 HE1 TYR 48 1HE TYR 48 3.229 5.895 -2.584 388 HE2 TYR 48 2HE TYR 48 3.118 9.791 -0.856 389 HH TYR 48 HH TYR 48 1.161 7.946 -1.919 390 H ALA 49 H ALA 49 9.473 5.042 0.664 391 HA ALA 49 HA ALA 49 9.096 3.125 -1.464 392 1HB ALA 49 1HB ALA 49 11.295 3.717 -0.235 393 2HB ALA 49 2HB ALA 49 10.654 2.738 1.106 394 3HB ALA 49 3HB ALA 49 10.930 1.993 -0.487 395 H MET 50 H MET 50 8.485 0.840 -0.963 396 HA MET 50 HA MET 50 6.363 0.883 1.025 397 1HB MET 50 1HB MET 50 6.792 -0.361 -1.653 398 2HB MET 50 2HB MET 50 6.082 -1.460 -0.487 399 1HG MET 50 1HG MET 50 4.185 -0.023 -0.117 400 2HG MET 50 2HG MET 50 4.971 1.349 -0.873 401 1HE MET 50 1HE MET 50 2.535 1.519 -2.367 402 2HE MET 50 2HE MET 50 1.883 0.039 -3.112 403 3HE MET 50 3HE MET 50 2.112 0.121 -1.349 404 H GLY 51 H GLY 51 5.966 -1.183 2.267 405 1HA GLY 51 1HA GLY 51 7.836 -3.255 2.419 406 2HA GLY 51 2HA GLY 51 8.312 -2.028 3.576 407 H PHE 52 H PHE 52 6.976 -4.873 3.699 408 HA PHE 52 HA PHE 52 4.452 -4.305 4.932 409 1HB PHE 52 1HB PHE 52 4.603 -6.825 5.336 410 2HB PHE 52 2HB PHE 52 4.848 -6.389 3.656 411 HD1 PHE 52 1HD PHE 52 6.471 -7.612 6.703 412 HD2 PHE 52 2HD PHE 52 7.016 -6.642 2.608 413 HE1 PHE 52 1HE PHE 52 8.667 -8.827 6.707 414 HE2 PHE 52 2HE PHE 52 9.213 -7.857 2.612 415 HZ PHE 52 HZ PHE 52 10.012 -8.935 4.662 416 H ASP 53 H ASP 53 4.012 -4.038 7.089 417 HA ASP 53 HA ASP 53 6.326 -4.138 8.831 418 1HB ASP 53 1HB ASP 53 4.406 -2.206 8.508 419 2HB ASP 53 2HB ASP 53 3.684 -3.123 9.815 420 H ASP 54 H ASP 54 5.496 -4.707 11.290 421 HA ASP 54 HA ASP 54 4.875 -7.366 11.281 422 1HB ASP 54 1HB ASP 54 5.174 -5.205 13.247 423 2HB ASP 54 2HB ASP 54 3.947 -6.346 13.759 424 H THR 55 H THR 55 2.815 -4.425 11.758 425 HA THR 55 HA THR 55 0.501 -5.764 10.790 426 HB THR 55 HB THR 55 0.758 -6.639 13.202 427 HG1 THR 55 1HG THR 55 -1.393 -6.723 12.672 428 1HG2 THR 55 1HG2 THR 55 0.112 -3.694 13.729 429 2HG2 THR 55 2HG2 THR 55 -0.202 -4.989 14.909 430 3HG2 THR 55 3HG2 THR 55 1.466 -4.630 14.404 431 H VAL 56 H VAL 56 -1.525 -4.186 11.428 432 HA VAL 56 HA VAL 56 -0.717 -1.700 10.249 433 HB VAL 56 HB VAL 56 -2.866 -3.209 9.946 434 1HG1 VAL 56 1HG1 VAL 56 -3.695 -3.089 12.208 435 2HG1 VAL 56 2HG1 VAL 56 -3.654 -1.310 12.179 436 3HG1 VAL 56 3HG1 VAL 56 -4.808 -2.191 11.149 437 1HG2 VAL 56 1HG2 VAL 56 -3.594 -1.558 8.586 438 2HG2 VAL 56 2HG2 VAL 56 -3.607 -0.346 9.890 439 3HG2 VAL 56 3HG2 VAL 56 -2.082 -0.751 9.067 440 H GLU 57 H GLU 57 -1.252 0.432 11.185 441 HA GLU 57 HA GLU 57 -0.502 0.438 13.938 442 1HB GLU 57 1HB GLU 57 -1.250 2.867 12.272 443 2HB GLU 57 2HB GLU 57 -0.183 2.801 13.661 444 1HG GLU 57 1HG GLU 57 1.424 1.389 12.358 445 2HG GLU 57 2HG GLU 57 0.358 1.459 10.969 446 H GLU 58 H GLU 58 -1.725 2.166 15.407 447 HA GLU 58 HA GLU 58 -4.446 1.267 15.423 448 1HB GLU 58 1HB GLU 58 -2.546 1.975 17.387 449 2HB GLU 58 2HB GLU 58 -3.753 3.243 17.473 450 1HG GLU 58 1HG GLU 58 -5.035 1.819 18.688 451 2HG GLU 58 2HG GLU 58 -5.286 0.898 17.218 452 H GLY 59 H GLY 59 -3.348 3.216 13.332 453 1HA GLY 59 1HA GLY 59 -5.607 4.895 13.171 454 2HA GLY 59 2HA GLY 59 -4.257 5.814 13.806 455 H ASP 60 H ASP 60 -4.611 3.191 11.302 456 HA ASP 60 HA ASP 60 -3.152 4.978 9.517 457 1HB ASP 60 1HB ASP 60 -2.379 2.455 10.390 458 2HB ASP 60 2HB ASP 60 -3.180 2.072 8.879 459 H HIS 61 H HIS 61 -3.982 5.116 7.327 460 HA HIS 61 HA HIS 61 -6.732 4.656 7.069 461 1HB HIS 61 1HB HIS 61 -4.555 5.456 5.137 462 2HB HIS 61 2HB HIS 61 -6.213 5.239 4.615 463 HD1 HIS 61 1HD HIS 61 -7.907 6.629 6.621 464 HD2 HIS 61 2HD HIS 61 -4.144 8.117 5.515 465 HE1 HIS 61 1HE HIS 61 -7.925 9.116 7.192 466 H VAL 62 H VAL 62 -7.224 2.457 7.436 467 HA VAL 62 HA VAL 62 -5.849 0.422 5.982 468 HB VAL 62 HB VAL 62 -7.248 0.524 8.294 469 1HG1 VAL 62 1HG1 VAL 62 -9.410 0.752 7.141 470 2HG1 VAL 62 2HG1 VAL 62 -9.115 -0.779 6.283 471 3HG1 VAL 62 3HG1 VAL 62 -9.313 -0.774 8.052 472 1HG2 VAL 62 1HG2 VAL 62 -6.573 -1.629 8.531 473 2HG2 VAL 62 2HG2 VAL 62 -7.282 -2.139 6.980 474 3HG2 VAL 62 3HG2 VAL 62 -5.714 -1.298 7.007 475 H PHE 63 H PHE 63 -6.093 0.157 3.825 476 HA PHE 63 HA PHE 63 -8.789 0.619 2.754 477 1HB PHE 63 1HB PHE 63 -6.291 1.815 2.157 478 2HB PHE 63 2HB PHE 63 -6.440 0.591 0.912 479 HD1 PHE 63 1HD PHE 63 -6.845 1.847 -1.014 480 HD2 PHE 63 2HD PHE 63 -9.154 2.603 2.465 481 HE1 PHE 63 1HE PHE 63 -8.336 3.374 -2.335 482 HE2 PHE 63 2HE PHE 63 -10.646 4.129 1.144 483 HZ PHE 63 HZ PHE 63 -10.219 4.497 -1.241 484 H GLU 64 H GLU 64 -9.766 -1.053 1.668 485 HA GLU 64 HA GLU 64 -8.369 -3.542 1.693 486 1HB GLU 64 1HB GLU 64 -11.177 -2.820 0.744 487 2HB GLU 64 2HB GLU 64 -10.560 -4.455 0.878 488 1HG GLU 64 1HG GLU 64 -10.270 -4.225 3.297 489 2HG GLU 64 2HG GLU 64 -10.635 -2.512 3.230 490 H TYR 65 H TYR 65 -7.367 -4.534 -0.029 491 HA TYR 65 HA TYR 65 -7.831 -3.331 -2.674 492 1HB TYR 65 1HB TYR 65 -5.425 -3.908 -0.977 493 2HB TYR 65 2HB TYR 65 -5.265 -4.509 -2.615 494 HD1 TYR 65 1HD TYR 65 -5.198 -1.588 -0.484 495 HD2 TYR 65 2HD TYR 65 -5.475 -2.886 -4.552 496 HE1 TYR 65 1HE TYR 65 -4.532 0.733 -1.279 497 HE2 TYR 65 2HE TYR 65 -4.808 -0.561 -5.332 498 HH TYR 65 HH TYR 65 -4.750 1.628 -4.616 499 H ASP 66 H ASP 66 -6.228 -5.148 -4.138 500 HA ASP 66 HA ASP 66 -8.048 -7.224 -4.428 501 1HB ASP 66 1HB ASP 66 -6.211 -6.174 -6.046 502 2HB ASP 66 2HB ASP 66 -5.179 -7.424 -5.380 503 H GLY 67 H GLY 67 -7.978 -7.926 -2.027 504 1HA GLY 67 1HA GLY 67 -7.471 -9.524 -0.525 505 2HA GLY 67 2HA GLY 67 -6.477 -10.307 -1.737 506 H VAL 68 H VAL 68 -6.131 -6.943 -0.465 507 HA VAL 68 HA VAL 68 -3.845 -7.740 1.116 508 HB VAL 68 HB VAL 68 -3.600 -5.864 -1.245 509 1HG1 VAL 68 1HG1 VAL 68 -1.819 -6.442 1.101 510 2HG1 VAL 68 2HG1 VAL 68 -1.085 -6.094 -0.483 511 3HG1 VAL 68 3HG1 VAL 68 -2.162 -4.900 0.281 512 1HG2 VAL 68 1HG2 VAL 68 -2.392 -8.602 -0.729 513 2HG2 VAL 68 2HG2 VAL 68 -3.601 -8.182 -1.966 514 3HG2 VAL 68 3HG2 VAL 68 -1.951 -7.525 -2.076 515 H LYS 69 H LYS 69 -3.069 -5.907 2.483 516 HA LYS 69 HA LYS 69 -5.229 -3.945 2.835 517 1HB LYS 69 1HB LYS 69 -4.473 -5.912 4.613 518 2HB LYS 69 2HB LYS 69 -3.552 -4.534 5.180 519 1HG LYS 69 1HG LYS 69 -5.799 -3.197 4.939 520 2HG LYS 69 2HG LYS 69 -6.565 -4.771 4.858 521 1HD LYS 69 1HD LYS 69 -4.889 -5.088 7.047 522 2HD LYS 69 2HD LYS 69 -5.315 -3.393 7.179 523 1HE LYS 69 1HE LYS 69 -7.407 -3.904 7.905 524 2HE LYS 69 2HE LYS 69 -7.696 -4.934 6.517 525 1HZ LYS 69 1HZ LYS 69 -7.784 -6.315 8.359 526 2HZ LYS 69 2HZ LYS 69 -6.304 -6.613 7.737 527 3HZ LYS 69 3HZ LYS 69 -6.459 -5.673 9.063 528 H VAL 70 H VAL 70 -4.580 -2.013 2.051 529 HA VAL 70 HA VAL 70 -1.737 -1.360 2.307 530 HB VAL 70 HB VAL 70 -3.912 -0.162 0.579 531 1HG1 VAL 70 1HG1 VAL 70 -0.956 0.423 0.848 532 2HG1 VAL 70 2HG1 VAL 70 -1.874 0.828 -0.622 533 3HG1 VAL 70 3HG1 VAL 70 -2.329 1.552 0.939 534 1HG2 VAL 70 1HG2 VAL 70 -3.364 -2.455 -0.090 535 2HG2 VAL 70 2HG2 VAL 70 -2.770 -1.283 -1.290 536 3HG2 VAL 70 3HG2 VAL 70 -1.635 -2.038 -0.146 537 H VAL 71 H VAL 71 -1.081 0.660 3.220 538 HA VAL 71 HA VAL 71 -3.166 2.236 4.490 539 HB VAL 71 HB VAL 71 -2.094 2.129 6.663 540 1HG1 VAL 71 1HG1 VAL 71 -2.636 -0.252 7.237 541 2HG1 VAL 71 2HG1 VAL 71 -3.904 0.584 6.309 542 3HG1 VAL 71 3HG1 VAL 71 -2.825 -0.575 5.497 543 1HG2 VAL 71 1HG2 VAL 71 -0.129 0.350 5.230 544 2HG2 VAL 71 2HG2 VAL 71 0.174 1.725 6.320 545 3HG2 VAL 71 3HG2 VAL 71 -0.401 0.176 6.981 546 H ILE 72 H ILE 72 -2.307 4.350 5.268 547 HA ILE 72 HA ILE 72 0.328 5.017 4.252 548 HB ILE 72 HB ILE 72 -2.168 6.433 3.312 549 1HG1 ILE 72 1HG1 ILE 72 -0.323 4.460 1.970 550 2HG1 ILE 72 2HG1 ILE 72 -2.070 4.413 2.101 551 1HG2 ILE 72 1HG2 ILE 72 0.255 7.106 1.900 552 2HG2 ILE 72 2HG2 ILE 72 -0.900 8.163 2.746 553 3HG2 ILE 72 3HG2 ILE 72 0.444 7.417 3.642 554 1HD1 ILE 72 1HD1 ILE 72 -0.386 5.781 0.116 555 2HD1 ILE 72 2HD1 ILE 72 -2.113 5.360 0.036 556 3HD1 ILE 72 3HD1 ILE 72 -1.601 6.867 0.832 557 H ASP 73 H ASP 73 1.304 6.691 5.408 558 HA ASP 73 HA ASP 73 0.355 7.105 7.954 559 1HB ASP 73 1HB ASP 73 2.638 7.821 6.383 560 2HB ASP 73 2HB ASP 73 2.040 9.315 7.076 561 HA PRO 74 HA PRO 74 -2.302 10.550 7.405 562 1HB PRO 74 1HB PRO 74 -2.122 11.829 9.813 563 2HB PRO 74 2HB PRO 74 -3.104 10.400 9.559 564 1HG PRO 74 1HG PRO 74 -0.504 10.640 10.946 565 2HG PRO 74 2HG PRO 74 -1.686 9.349 11.043 566 1HD PRO 74 1HD PRO 74 0.783 9.308 9.584 567 2HD PRO 74 2HD PRO 74 -0.452 8.065 9.589 568 H PHE 75 H PHE 75 1.000 11.066 8.046 569 HA PHE 75 HA PHE 75 0.787 13.896 7.509 570 1HB PHE 75 1HB PHE 75 3.133 11.934 7.867 571 2HB PHE 75 2HB PHE 75 3.317 13.675 7.800 572 HD1 PHE 75 1HD PHE 75 2.820 10.884 9.919 573 HD2 PHE 75 2HD PHE 75 2.032 15.041 9.598 574 HE1 PHE 75 1HE PHE 75 2.493 11.014 12.404 575 HE2 PHE 75 2HE PHE 75 1.705 15.171 12.083 576 HZ PHE 75 HZ PHE 75 1.939 13.156 13.457 577 H SER 76 H SER 76 1.530 10.860 5.829 578 HA SER 76 HA SER 76 2.660 12.302 3.611 579 1HB SER 76 1HB SER 76 3.010 10.043 2.638 580 2HB SER 76 2HB SER 76 3.682 10.165 4.252 581 HG SER 76 HG SER 76 2.548 8.229 4.211 582 H MET 77 H MET 77 -0.415 11.185 4.764 583 HA MET 77 HA MET 77 -1.679 10.469 2.445 584 1HB MET 77 1HB MET 77 -2.357 10.832 5.116 585 2HB MET 77 2HB MET 77 -3.240 12.152 4.375 586 1HG MET 77 1HG MET 77 -3.407 9.325 3.254 587 2HG MET 77 2HG MET 77 -4.439 9.838 4.574 588 1HE MET 77 1HE MET 77 -5.456 9.331 0.920 589 2HE MET 77 2HE MET 77 -4.517 10.679 0.233 590 3HE MET 77 3HE MET 77 -3.709 9.453 1.239 591 HA PRO 78 HA PRO 78 -2.626 15.087 1.852 592 1HB PRO 78 1HB PRO 78 -1.214 16.945 3.274 593 2HB PRO 78 2HB PRO 78 -2.801 16.376 3.752 594 1HG PRO 78 1HG PRO 78 -0.165 15.702 4.908 595 2HG PRO 78 2HG PRO 78 -1.757 15.497 5.611 596 1HD PRO 78 1HD PRO 78 -0.112 13.448 4.460 597 2HD PRO 78 2HD PRO 78 -1.749 13.265 5.057 598 H TYR 79 H TYR 79 0.119 13.437 1.668 599 HA TYR 79 HA TYR 79 1.428 15.475 0.012 600 1HB TYR 79 1HB TYR 79 2.201 13.484 1.973 601 2HB TYR 79 2HB TYR 79 2.824 12.918 0.436 602 HD1 TYR 79 1HD TYR 79 4.716 13.955 -0.596 603 HD2 TYR 79 2HD TYR 79 2.909 15.740 2.846 604 HE1 TYR 79 1HE TYR 79 6.695 15.535 -0.367 605 HE2 TYR 79 2HE TYR 79 4.894 17.314 3.064 606 HH TYR 79 HH TYR 79 6.683 18.098 2.061 607 H VAL 80 H VAL 80 -0.785 12.984 -0.284 608 HA VAL 80 HA VAL 80 -0.263 12.757 -3.083 609 HB VAL 80 HB VAL 80 -0.162 10.240 -2.988 610 1HG1 VAL 80 1HG1 VAL 80 2.297 11.407 -1.700 611 2HG1 VAL 80 2HG1 VAL 80 2.163 10.226 -3.025 612 3HG1 VAL 80 3HG1 VAL 80 1.790 11.941 -3.321 613 1HG2 VAL 80 1HG2 VAL 80 -0.369 9.205 -1.024 614 2HG2 VAL 80 2HG2 VAL 80 1.170 9.933 -0.504 615 3HG2 VAL 80 3HG2 VAL 80 -0.367 10.765 -0.166 616 H ASN 81 H ASN 81 -2.343 13.887 -1.485 617 HA ASN 81 HA ASN 81 -4.405 12.374 -0.778 618 1HB ASN 81 1HB ASN 81 -5.882 14.270 -1.478 619 2HB ASN 81 2HB ASN 81 -4.424 14.855 -0.702 620 1HD2 ASN 81 1HD2 ASN 81 -6.422 15.082 -3.358 621 2HD2 ASN 81 2HD2 ASN 81 -5.401 15.957 -4.451 622 H GLY 82 H GLY 82 -5.371 10.646 -1.856 623 1HA GLY 82 1HA GLY 82 -5.991 9.296 -3.564 624 2HA GLY 82 2HA GLY 82 -6.841 10.729 -4.109 625 H ALA 83 H ALA 83 -3.289 10.696 -3.896 626 HA ALA 83 HA ALA 83 -3.108 11.306 -6.681 627 1HB ALA 83 1HB ALA 83 -0.967 11.970 -6.161 628 2HB ALA 83 2HB ALA 83 -1.674 12.028 -4.529 629 3HB ALA 83 3HB ALA 83 -0.705 10.622 -5.030 630 H GLU 84 H GLU 84 -1.269 10.071 -7.971 631 HA GLU 84 HA GLU 84 -2.001 7.268 -7.753 632 1HB GLU 84 1HB GLU 84 -2.366 8.641 -9.911 633 2HB GLU 84 2HB GLU 84 -0.625 8.618 -10.108 634 1HG GLU 84 1HG GLU 84 -0.591 6.175 -10.195 635 2HG GLU 84 2HG GLU 84 -2.281 6.081 -9.741 636 H LEU 85 H LEU 85 -0.490 5.706 -7.248 637 HA LEU 85 HA LEU 85 2.294 6.633 -7.088 638 1HB LEU 85 1HB LEU 85 1.904 6.331 -4.898 639 2HB LEU 85 2HB LEU 85 0.551 5.250 -5.162 640 HG LEU 85 HG LEU 85 2.112 3.398 -5.637 641 1HD1 LEU 85 1HD1 LEU 85 4.546 4.377 -4.587 642 2HD1 LEU 85 2HD1 LEU 85 4.206 3.806 -6.238 643 3HD1 LEU 85 3HD1 LEU 85 4.024 5.531 -5.837 644 1HD2 LEU 85 1HD2 LEU 85 3.284 3.867 -3.132 645 2HD2 LEU 85 2HD2 LEU 85 1.727 4.728 -3.101 646 3HD2 LEU 85 3HD2 LEU 85 1.775 2.990 -3.482 647 H ASP 86 H ASP 86 3.309 5.853 -8.872 648 HA ASP 86 HA ASP 86 2.540 3.204 -9.752 649 1HB ASP 86 1HB ASP 86 3.048 5.526 -11.152 650 2HB ASP 86 2HB ASP 86 4.616 4.749 -11.244 651 H TYR 87 H TYR 87 3.715 1.759 -8.399 652 HA TYR 87 HA TYR 87 6.476 2.340 -7.773 653 1HB TYR 87 1HB TYR 87 4.604 1.271 -6.286 654 2HB TYR 87 2HB TYR 87 4.719 -0.146 -7.311 655 HD1 TYR 87 1HD TYR 87 7.022 -1.320 -7.470 656 HD2 TYR 87 2HD TYR 87 6.029 1.521 -4.429 657 HE1 TYR 87 1HE TYR 87 8.901 -2.216 -6.010 658 HE2 TYR 87 2HE TYR 87 7.911 0.616 -2.979 659 HH TYR 87 HH TYR 87 9.659 -0.684 -2.908 660 H VAL 88 H VAL 88 7.939 2.024 -9.400 661 HA VAL 88 HA VAL 88 7.514 0.130 -11.453 662 HB VAL 88 HB VAL 88 9.953 1.678 -10.559 663 1HG1 VAL 88 1HG1 VAL 88 10.774 -0.177 -11.809 664 2HG1 VAL 88 2HG1 VAL 88 9.480 -0.023 -13.022 665 3HG1 VAL 88 3HG1 VAL 88 10.755 1.215 -12.919 666 1HG2 VAL 88 1HG2 VAL 88 8.387 2.283 -13.041 667 2HG2 VAL 88 2HG2 VAL 88 7.729 2.793 -11.468 668 3HG2 VAL 88 3HG2 VAL 88 9.331 3.367 -11.992 669 H VAL 89 H VAL 89 8.646 -1.859 -11.863 670 HA VAL 89 HA VAL 89 9.906 -2.997 -9.468 671 HB VAL 89 HB VAL 89 8.067 -4.490 -11.339 672 1HG1 VAL 89 1HG1 VAL 89 8.116 -6.236 -9.708 673 2HG1 VAL 89 2HG1 VAL 89 9.803 -5.754 -10.007 674 3HG1 VAL 89 3HG1 VAL 89 8.969 -5.205 -8.534 675 1HG2 VAL 89 1HG2 VAL 89 6.458 -3.178 -10.399 676 2HG2 VAL 89 2HG2 VAL 89 6.613 -4.366 -9.083 677 3HG2 VAL 89 3HG2 VAL 89 7.444 -2.796 -8.968 678 H ASP 90 H ASP 90 11.970 -3.573 -9.886 679 HA ASP 90 HA ASP 90 12.577 -4.958 -12.269 680 1HB ASP 90 1HB ASP 90 13.730 -2.160 -11.850 681 2HB ASP 90 2HB ASP 90 14.358 -3.309 -13.014 682 H PHE 91 H PHE 91 15.353 -4.809 -12.291 683 HA PHE 91 HA PHE 91 16.995 -5.879 -11.198 684 1HB PHE 91 1HB PHE 91 16.871 -3.205 -10.738 685 2HB PHE 91 2HB PHE 91 16.610 -3.720 -9.083 686 HD1 PHE 91 1HD PHE 91 18.882 -4.910 -11.806 687 HD2 PHE 91 2HD PHE 91 18.524 -3.441 -7.841 688 HE1 PHE 91 1HE PHE 91 21.361 -5.153 -11.492 689 HE2 PHE 91 2HE PHE 91 21.002 -3.685 -7.527 690 HZ PHE 91 HZ PHE 91 22.391 -4.538 -9.356 691 H MET 92 H MET 92 17.374 -5.237 -8.147 692 HA MET 92 HA MET 92 15.903 -7.582 -7.325 693 1HB MET 92 1HB MET 92 18.446 -6.282 -6.668 694 2HB MET 92 2HB MET 92 17.522 -6.524 -5.198 695 1HG MET 92 1HG MET 92 17.425 -8.893 -5.498 696 2HG MET 92 2HG MET 92 17.815 -8.789 -7.203 697 1HE MET 92 1HE MET 92 21.061 -10.130 -7.036 698 2HE MET 92 2HE MET 92 20.039 -10.898 -5.797 699 3HE MET 92 3HE MET 92 19.317 -10.341 -7.326 700 H GLY 93 H GLY 93 14.588 -4.894 -7.764 701 1HA GLY 93 1HA GLY 93 12.999 -4.881 -5.395 702 2HA GLY 93 2HA GLY 93 14.069 -3.494 -5.451 703 H GLY 94 H GLY 94 13.586 -1.750 -6.782 704 1HA GLY 94 1HA GLY 94 12.214 -1.786 -9.168 705 2HA GLY 94 2HA GLY 94 10.977 -1.657 -7.933 706 H GLY 95 H GLY 95 10.613 0.510 -9.021 707 1HA GLY 95 1HA GLY 95 12.410 2.524 -7.815 708 2HA GLY 95 2HA GLY 95 11.850 2.653 -9.470 709 H PHE 96 H PHE 96 11.324 3.923 -6.505 710 HA PHE 96 HA PHE 96 8.462 3.770 -6.418 711 1HB PHE 96 1HB PHE 96 10.195 5.835 -5.003 712 2HB PHE 96 2HB PHE 96 8.801 4.981 -4.371 713 HD1 PHE 96 1HD PHE 96 9.030 2.662 -3.559 714 HD2 PHE 96 2HD PHE 96 12.400 4.895 -4.850 715 HE1 PHE 96 1HE PHE 96 10.552 1.030 -2.410 716 HE2 PHE 96 2HE PHE 96 13.922 3.263 -3.700 717 HZ PHE 96 HZ PHE 96 12.979 1.350 -2.494 718 H THR 97 H THR 97 7.129 4.964 -7.686 719 HA THR 97 HA THR 97 7.974 7.699 -8.328 720 HB THR 97 HB THR 97 7.085 5.490 -10.243 721 HG1 THR 97 1HG THR 97 9.291 5.642 -10.408 722 1HG2 THR 97 1HG2 THR 97 7.729 8.093 -11.441 723 2HG2 THR 97 2HG2 THR 97 6.327 7.040 -11.747 724 3HG2 THR 97 3HG2 THR 97 6.286 8.208 -10.405 725 H ILE 98 H ILE 98 6.494 9.147 -7.737 726 HA ILE 98 HA ILE 98 3.717 8.197 -7.614 727 HB ILE 98 HB ILE 98 5.110 8.604 -5.415 728 1HG1 ILE 98 1HG1 ILE 98 2.694 7.965 -5.668 729 2HG1 ILE 98 2HG1 ILE 98 3.070 8.915 -4.245 730 1HG2 ILE 98 1HG2 ILE 98 3.986 11.374 -5.751 731 2HG2 ILE 98 2HG2 ILE 98 5.174 10.767 -4.573 732 3HG2 ILE 98 3HG2 ILE 98 5.642 10.985 -6.276 733 1HD1 ILE 98 1HD1 ILE 98 1.047 9.511 -6.006 734 2HD1 ILE 98 2HD1 ILE 98 1.832 10.709 -4.949 735 3HD1 ILE 98 3HD1 ILE 98 2.360 10.533 -6.640 736 H ARG 99 H ARG 99 2.337 9.318 -8.885 737 HA ARG 99 HA ARG 99 3.306 11.911 -9.788 738 1HB ARG 99 1HB ARG 99 2.059 9.611 -11.197 739 2HB ARG 99 2HB ARG 99 1.321 11.148 -11.603 740 1HG ARG 99 1HG ARG 99 4.306 11.170 -11.537 741 2HG ARG 99 2HG ARG 99 3.606 10.161 -12.787 742 1HD ARG 99 1HD ARG 99 2.176 12.133 -13.507 743 2HD ARG 99 2HD ARG 99 3.012 13.125 -12.329 744 HE ARG 99 HE ARG 99 4.066 12.210 -14.895 745 1HH1 ARG 99 2HH2 ARG 99 4.953 13.259 -11.655 746 2HH1 ARG 99 1HH2 ARG 99 6.538 13.780 -12.119 747 1HH2 ARG 99 2HH1 ARG 99 6.157 12.897 -15.508 748 2HH2 ARG 99 1HH1 ARG 99 7.228 13.573 -14.325 749 H ASN 100 H ASN 100 2.212 13.518 -8.691 750 HA ASN 100 HA ASN 100 -0.588 12.987 -8.094 751 1HB ASN 100 1HB ASN 100 -0.310 14.833 -6.375 752 2HB ASN 100 2HB ASN 100 0.721 13.448 -6.075 753 1HD2 ASN 100 1HD2 ASN 100 0.567 16.761 -6.427 754 2HD2 ASN 100 2HD2 ASN 100 2.248 17.139 -6.610 755 HA PRO 101 HA PRO 101 -1.381 16.251 -10.938 756 1HB PRO 101 1HB PRO 101 -4.056 16.585 -10.496 757 2HB PRO 101 2HB PRO 101 -3.406 15.338 -11.541 758 1HG PRO 101 1HG PRO 101 -4.527 15.075 -8.818 759 2HG PRO 101 2HG PRO 101 -4.273 13.831 -10.026 760 1HD PRO 101 1HD PRO 101 -2.662 14.324 -7.705 761 2HD PRO 101 2HD PRO 101 -2.344 13.157 -8.972 Start of MODEL 20 1 H MET 1 H MET 1 -16.071 -1.717 14.486 2 HA MET 1 HA MET 1 -18.457 -1.011 15.708 3 1HB MET 1 1HB MET 1 -17.220 -3.663 16.483 4 2HB MET 1 2HB MET 1 -17.856 -2.673 17.781 5 1HG MET 1 1HG MET 1 -20.053 -2.961 17.117 6 2HG MET 1 2HG MET 1 -19.655 -2.937 15.410 7 1HE MET 1 1HE MET 1 -21.491 -6.140 15.784 8 2HE MET 1 2HE MET 1 -21.431 -4.432 15.286 9 3HE MET 1 3HE MET 1 -20.575 -5.667 14.333 10 H GLN 2 H GLN 2 -17.526 0.967 16.205 11 HA GLN 2 HA GLN 2 -16.341 2.430 17.285 12 1HB GLN 2 1HB GLN 2 -16.256 0.103 19.073 13 2HB GLN 2 2HB GLN 2 -14.835 1.109 19.264 14 1HG GLN 2 1HG GLN 2 -17.631 2.312 19.210 15 2HG GLN 2 2HG GLN 2 -16.935 1.691 20.693 16 1HE2 GLN 2 1HE2 GLN 2 -16.753 3.595 21.744 17 2HE2 GLN 2 2HE2 GLN 2 -15.677 4.876 21.297 18 H GLU 3 H GLU 3 -15.153 2.380 15.123 19 HA GLU 3 HA GLU 3 -12.357 2.032 15.711 20 1HB GLU 3 1HB GLU 3 -11.902 0.756 13.654 21 2HB GLU 3 2HB GLU 3 -12.996 -0.132 14.696 22 1HG GLU 3 1HG GLU 3 -14.895 0.353 13.331 23 2HG GLU 3 2HG GLU 3 -14.095 1.691 12.530 24 H GLN 4 H GLN 4 -10.959 3.249 14.189 25 HA GLN 4 HA GLN 4 -12.204 5.654 13.454 26 1HB GLN 4 1HB GLN 4 -9.639 4.898 14.075 27 2HB GLN 4 2HB GLN 4 -9.507 5.050 12.334 28 1HG GLN 4 1HG GLN 4 -10.973 7.327 13.044 29 2HG GLN 4 2HG GLN 4 -9.854 7.156 14.382 30 1HE2 GLN 4 1HE2 GLN 4 -10.307 8.179 11.205 31 2HE2 GLN 4 2HE2 GLN 4 -8.668 8.524 10.762 32 H ALA 5 H ALA 5 -13.887 4.867 11.959 33 HA ALA 5 HA ALA 5 -13.088 3.598 9.531 34 1HB ALA 5 1HB ALA 5 -15.272 3.152 10.472 35 2HB ALA 5 2HB ALA 5 -15.673 4.886 10.489 36 3HB ALA 5 3HB ALA 5 -15.502 4.027 8.940 37 H GLN 6 H GLN 6 -12.152 4.578 7.814 38 HA GLN 6 HA GLN 6 -13.119 6.995 6.826 39 1HB GLN 6 1HB GLN 6 -11.934 8.050 8.677 40 2HB GLN 6 2HB GLN 6 -10.476 7.139 8.336 41 1HG GLN 6 1HG GLN 6 -9.893 8.466 6.527 42 2HG GLN 6 2HG GLN 6 -11.557 8.743 6.051 43 1HE2 GLN 6 1HE2 GLN 6 -9.249 9.443 8.661 44 2HE2 GLN 6 2HE2 GLN 6 -9.779 11.056 9.002 45 H GLN 7 H GLN 7 -12.732 6.930 4.643 46 HA GLN 7 HA GLN 7 -10.431 5.333 3.820 47 1HB GLN 7 1HB GLN 7 -12.354 4.031 3.259 48 2HB GLN 7 2HB GLN 7 -13.251 5.429 2.702 49 1HG GLN 7 1HG GLN 7 -11.605 5.704 0.814 50 2HG GLN 7 2HG GLN 7 -10.769 4.262 1.356 51 1HE2 GLN 7 1HE2 GLN 7 -13.465 5.569 -0.312 52 2HE2 GLN 7 2HE2 GLN 7 -14.206 4.095 -0.839 53 H PHE 8 H PHE 8 -8.922 6.859 3.224 54 HA PHE 8 HA PHE 8 -9.710 9.345 2.096 55 1HB PHE 8 1HB PHE 8 -7.063 7.800 2.360 56 2HB PHE 8 2HB PHE 8 -7.138 9.459 1.801 57 HD1 PHE 8 1HD PHE 8 -7.315 11.256 3.332 58 HD2 PHE 8 2HD PHE 8 -7.786 7.270 4.708 59 HE1 PHE 8 1HE PHE 8 -7.201 12.062 5.707 60 HE2 PHE 8 2HE PHE 8 -7.671 8.076 7.083 61 HZ PHE 8 HZ PHE 8 -7.379 10.462 7.554 62 H ILE 9 H ILE 9 -8.855 10.160 -0.037 63 HA ILE 9 HA ILE 9 -9.488 8.218 -2.063 64 HB ILE 9 HB ILE 9 -8.644 11.089 -2.418 65 1HG1 ILE 9 1HG1 ILE 9 -10.509 10.831 -0.743 66 2HG1 ILE 9 2HG1 ILE 9 -10.882 11.806 -2.151 67 1HG2 ILE 9 1HG2 ILE 9 -10.513 10.521 -4.324 68 2HG2 ILE 9 2HG2 ILE 9 -8.751 10.429 -4.558 69 3HG2 ILE 9 3HG2 ILE 9 -9.675 8.958 -4.168 70 1HD1 ILE 9 1HD1 ILE 9 -11.507 9.049 -2.766 71 2HD1 ILE 9 2HD1 ILE 9 -12.262 9.483 -1.214 72 3HD1 ILE 9 3HD1 ILE 9 -12.609 10.443 -2.673 73 H PHE 10 H PHE 10 -7.981 6.787 -2.728 74 HA PHE 10 HA PHE 10 -5.456 7.793 -3.623 75 1HB PHE 10 1HB PHE 10 -5.389 7.292 -1.026 76 2HB PHE 10 2HB PHE 10 -5.555 5.606 -1.474 77 HD1 PHE 10 1HD PHE 10 -3.586 4.433 -1.403 78 HD2 PHE 10 2HD PHE 10 -3.473 8.491 -2.637 79 HE1 PHE 10 1HE PHE 10 -1.100 4.270 -1.712 80 HE2 PHE 10 2HE PHE 10 -0.987 8.329 -2.945 81 HZ PHE 10 HZ PHE 10 0.170 6.220 -2.479 82 H LYS 11 H LYS 11 -4.678 6.539 -5.301 83 HA LYS 11 HA LYS 11 -5.741 3.830 -5.535 84 1HB LYS 11 1HB LYS 11 -5.870 5.899 -7.750 85 2HB LYS 11 2HB LYS 11 -6.280 4.203 -7.909 86 1HG LYS 11 1HG LYS 11 -7.627 5.940 -5.807 87 2HG LYS 11 2HG LYS 11 -8.210 5.916 -7.459 88 1HD LYS 11 1HD LYS 11 -8.902 3.674 -7.338 89 2HD LYS 11 2HD LYS 11 -7.738 3.267 -6.093 90 1HE LYS 11 1HE LYS 11 -9.060 4.734 -4.477 91 2HE LYS 11 2HE LYS 11 -10.272 4.933 -5.727 92 1HZ LYS 11 1HZ LYS 11 -9.499 2.219 -5.193 93 2HZ LYS 11 2HZ LYS 11 -10.289 2.966 -3.974 94 3HZ LYS 11 3HZ LYS 11 -10.984 2.850 -5.448 95 H VAL 12 H VAL 12 -4.014 2.508 -5.617 96 HA VAL 12 HA VAL 12 -1.551 3.609 -6.758 97 HB VAL 12 HB VAL 12 -1.738 2.699 -4.364 98 1HG1 VAL 12 1HG1 VAL 12 -2.681 0.425 -5.754 99 2HG1 VAL 12 2HG1 VAL 12 -1.075 -0.005 -5.118 100 3HG1 VAL 12 3HG1 VAL 12 -2.342 0.581 -4.014 101 1HG2 VAL 12 1HG2 VAL 12 0.378 1.784 -6.331 102 2HG2 VAL 12 2HG2 VAL 12 0.405 3.212 -5.268 103 3HG2 VAL 12 3HG2 VAL 12 0.530 1.579 -4.569 104 H THR 13 H THR 13 -0.369 2.415 -8.344 105 HA THR 13 HA THR 13 -1.956 1.161 -10.269 106 HB THR 13 HB THR 13 0.301 0.659 -11.285 107 HG1 THR 13 1HG THR 13 1.965 0.578 -9.821 108 1HG2 THR 13 1HG2 THR 13 0.481 3.370 -9.903 109 2HG2 THR 13 2HG2 THR 13 1.055 2.920 -11.527 110 3HG2 THR 13 3HG2 THR 13 -0.689 3.088 -11.215 111 H ASP 14 H ASP 14 -1.944 -1.034 -11.069 112 HA ASP 14 HA ASP 14 -2.408 -2.831 -9.012 113 1HB ASP 14 1HB ASP 14 -2.278 -2.883 -11.992 114 2HB ASP 14 2HB ASP 14 -1.995 -4.434 -11.227 115 H LYS 15 H LYS 15 0.463 -1.875 -10.830 116 HA LYS 15 HA LYS 15 1.965 -4.231 -10.510 117 1HB LYS 15 1HB LYS 15 2.242 -1.829 -11.857 118 2HB LYS 15 2HB LYS 15 3.485 -1.723 -10.627 119 1HG LYS 15 1HG LYS 15 4.429 -2.814 -12.601 120 2HG LYS 15 2HG LYS 15 4.332 -3.988 -11.304 121 1HD LYS 15 1HD LYS 15 2.480 -5.113 -12.276 122 2HD LYS 15 2HD LYS 15 2.028 -3.733 -13.257 123 1HE LYS 15 1HE LYS 15 4.459 -4.124 -14.333 124 2HE LYS 15 2HE LYS 15 4.230 -5.748 -13.716 125 1HZ LYS 15 1HZ LYS 15 2.096 -4.481 -15.243 126 2HZ LYS 15 2HZ LYS 15 3.363 -5.149 -16.027 127 3HZ LYS 15 3HZ LYS 15 2.424 -6.071 -15.060 128 H ALA 16 H ALA 16 1.560 -1.243 -8.534 129 HA ALA 16 HA ALA 16 3.538 -1.806 -6.666 130 1HB ALA 16 1HB ALA 16 2.302 -0.206 -5.256 131 2HB ALA 16 2HB ALA 16 2.393 0.370 -6.938 132 3HB ALA 16 3HB ALA 16 0.885 -0.350 -6.324 133 H VAL 17 H VAL 17 -0.046 -2.411 -6.447 134 HA VAL 17 HA VAL 17 0.069 -3.848 -4.085 135 HB VAL 17 HB VAL 17 -1.823 -3.527 -6.353 136 1HG1 VAL 17 1HG1 VAL 17 -1.869 -5.852 -4.441 137 2HG1 VAL 17 2HG1 VAL 17 -3.390 -5.145 -5.036 138 3HG1 VAL 17 3HG1 VAL 17 -2.210 -5.814 -6.188 139 1HG2 VAL 17 1HG2 VAL 17 -2.109 -3.279 -3.339 140 2HG2 VAL 17 2HG2 VAL 17 -1.792 -1.946 -4.476 141 3HG2 VAL 17 3HG2 VAL 17 -3.335 -2.829 -4.548 142 H GLU 18 H GLU 18 0.440 -4.888 -7.514 143 HA GLU 18 HA GLU 18 0.443 -7.604 -6.978 144 1HB GLU 18 1HB GLU 18 1.385 -5.843 -9.222 145 2HB GLU 18 2HB GLU 18 1.967 -7.496 -9.207 146 1HG GLU 18 1HG GLU 18 -0.988 -6.954 -8.804 147 2HG GLU 18 2HG GLU 18 -0.316 -6.905 -10.421 148 H GLU 19 H GLU 19 3.000 -5.106 -6.832 149 HA GLU 19 HA GLU 19 5.167 -6.811 -6.740 150 1HB GLU 19 1HB GLU 19 5.496 -4.447 -7.092 151 2HB GLU 19 2HB GLU 19 4.696 -4.035 -5.589 152 1HG GLU 19 1HG GLU 19 7.031 -3.839 -5.117 153 2HG GLU 19 2HG GLU 19 6.547 -5.351 -4.375 154 H ILE 20 H ILE 20 3.311 -5.270 -4.015 155 HA ILE 20 HA ILE 20 4.718 -6.608 -2.000 156 HB ILE 20 HB ILE 20 1.986 -5.332 -2.072 157 1HG1 ILE 20 1HG1 ILE 20 3.429 -3.665 -0.598 158 2HG1 ILE 20 2HG1 ILE 20 4.763 -4.371 -1.489 159 1HG2 ILE 20 1HG2 ILE 20 3.427 -6.750 0.119 160 2HG2 ILE 20 2HG2 ILE 20 2.561 -5.247 0.521 161 3HG2 ILE 20 3HG2 ILE 20 1.684 -6.611 -0.213 162 1HD1 ILE 20 1HD1 ILE 20 4.036 -3.531 -3.540 163 2HD1 ILE 20 2HD1 ILE 20 2.326 -3.514 -3.045 164 3HD1 ILE 20 3HD1 ILE 20 3.439 -2.260 -2.446 165 H LYS 21 H LYS 21 2.015 -7.533 -4.107 166 HA LYS 21 HA LYS 21 1.049 -9.654 -2.571 167 1HB LYS 21 1HB LYS 21 0.765 -8.633 -5.310 168 2HB LYS 21 2HB LYS 21 0.601 -10.374 -5.202 169 1HG LYS 21 1HG LYS 21 -0.999 -9.941 -3.201 170 2HG LYS 21 2HG LYS 21 -0.999 -8.262 -3.700 171 1HD LYS 21 1HD LYS 21 -2.110 -8.712 -5.727 172 2HD LYS 21 2HD LYS 21 -1.553 -10.372 -5.789 173 1HE LYS 21 1HE LYS 21 -3.430 -9.467 -3.577 174 2HE LYS 21 2HE LYS 21 -4.062 -9.893 -5.154 175 1HZ LYS 21 1HZ LYS 21 -3.305 -12.049 -4.931 176 2HZ LYS 21 2HZ LYS 21 -2.248 -11.695 -3.737 177 3HZ LYS 21 3HZ LYS 21 -3.852 -11.706 -3.431 178 H LYS 22 H LYS 22 3.568 -9.521 -5.172 179 HA LYS 22 HA LYS 22 4.162 -12.296 -4.857 180 1HB LYS 22 1HB LYS 22 5.221 -10.018 -6.495 181 2HB LYS 22 2HB LYS 22 6.209 -11.453 -6.310 182 1HG LYS 22 1HG LYS 22 3.960 -12.738 -6.922 183 2HG LYS 22 2HG LYS 22 3.474 -11.190 -7.584 184 1HD LYS 22 1HD LYS 22 4.599 -11.775 -9.471 185 2HD LYS 22 2HD LYS 22 6.076 -11.488 -8.572 186 1HE LYS 22 1HE LYS 22 5.238 -14.078 -7.772 187 2HE LYS 22 2HE LYS 22 4.939 -14.027 -9.498 188 1HZ LYS 22 1HZ LYS 22 7.346 -12.878 -9.282 189 2HZ LYS 22 2HZ LYS 22 7.420 -14.005 -8.103 190 3HZ LYS 22 3HZ LYS 22 7.096 -14.452 -9.640 191 H VAL 23 H VAL 23 5.645 -9.165 -3.836 192 HA VAL 23 HA VAL 23 7.944 -10.185 -2.715 193 HB VAL 23 HB VAL 23 6.238 -7.773 -2.327 194 1HG1 VAL 23 1HG1 VAL 23 8.038 -6.963 -0.660 195 2HG1 VAL 23 2HG1 VAL 23 6.760 -8.045 -0.057 196 3HG1 VAL 23 3HG1 VAL 23 8.381 -8.691 -0.407 197 1HG2 VAL 23 1HG2 VAL 23 8.116 -6.608 -3.179 198 2HG2 VAL 23 2HG2 VAL 23 9.213 -7.972 -2.852 199 3HG2 VAL 23 3HG2 VAL 23 7.998 -8.098 -4.147 200 H ALA 24 H ALA 24 4.739 -9.557 -1.120 201 HA ALA 24 HA ALA 24 5.510 -10.650 1.342 202 1HB ALA 24 1HB ALA 24 3.269 -10.313 1.942 203 2HB ALA 24 2HB ALA 24 3.507 -9.118 0.645 204 3HB ALA 24 3HB ALA 24 2.674 -10.652 0.299 205 H GLN 25 H GLN 25 3.885 -12.036 -1.573 206 HA GLN 25 HA GLN 25 3.307 -14.487 -0.485 207 1HB GLN 25 1HB GLN 25 3.755 -13.435 -3.266 208 2HB GLN 25 2HB GLN 25 3.691 -15.174 -3.062 209 1HG GLN 25 1HG GLN 25 1.466 -15.102 -2.154 210 2HG GLN 25 2HG GLN 25 1.551 -13.376 -1.861 211 1HE2 GLN 25 1HE2 GLN 25 -0.551 -14.447 -3.202 212 2HE2 GLN 25 2HE2 GLN 25 -0.536 -13.986 -4.871 213 H GLU 26 H GLU 26 6.343 -13.187 -1.869 214 HA GLU 26 HA GLU 26 7.602 -15.730 -1.861 215 1HB GLU 26 1HB GLU 26 8.203 -13.018 -2.763 216 2HB GLU 26 2HB GLU 26 9.586 -13.704 -1.933 217 1HG GLU 26 1HG GLU 26 8.701 -15.839 -3.509 218 2HG GLU 26 2HG GLU 26 8.395 -14.453 -4.538 219 H ASN 27 H ASN 27 6.577 -13.774 0.621 220 HA ASN 27 HA ASN 27 8.914 -14.396 2.242 221 1HB ASN 27 1HB ASN 27 6.923 -12.158 2.215 222 2HB ASN 27 2HB ASN 27 7.360 -12.730 3.813 223 1HD2 ASN 27 1HD2 ASN 27 8.153 -10.692 1.319 224 2HD2 ASN 27 2HD2 ASN 27 9.796 -10.314 1.718 225 H ASN 28 H ASN 28 6.053 -15.724 1.338 226 HA ASN 28 HA ASN 28 4.841 -17.330 2.178 227 1HB ASN 28 1HB ASN 28 6.988 -17.683 3.728 228 2HB ASN 28 2HB ASN 28 5.969 -17.002 4.981 229 1HD2 ASN 28 1HD2 ASN 28 6.291 -19.572 2.604 230 2HD2 ASN 28 2HD2 ASN 28 5.241 -20.727 3.356 231 H ILE 29 H ILE 29 4.244 -14.393 2.311 232 HA ILE 29 HA ILE 29 2.597 -14.236 4.721 233 HB ILE 29 HB ILE 29 3.472 -12.130 2.742 234 1HG1 ILE 29 1HG1 ILE 29 4.294 -12.512 5.634 235 2HG1 ILE 29 2HG1 ILE 29 5.232 -13.086 4.270 236 1HG2 ILE 29 1HG2 ILE 29 2.566 -10.656 4.734 237 2HG2 ILE 29 2HG2 ILE 29 1.486 -11.236 3.444 238 3HG2 ILE 29 3HG2 ILE 29 1.528 -12.075 5.013 239 1HD1 ILE 29 1HD1 ILE 29 4.405 -10.263 3.975 240 2HD1 ILE 29 2HD1 ILE 29 5.429 -10.556 5.401 241 3HD1 ILE 29 3HD1 ILE 29 6.013 -11.002 3.780 242 H GLU 30 H GLU 30 0.339 -13.825 4.605 243 HA GLU 30 HA GLU 30 -0.763 -14.167 1.931 244 1HB GLU 30 1HB GLU 30 -0.920 -16.036 4.089 245 2HB GLU 30 2HB GLU 30 -2.516 -15.331 3.927 246 1HG GLU 30 1HG GLU 30 -2.694 -15.987 1.616 247 2HG GLU 30 2HG GLU 30 -0.980 -16.330 1.497 248 H ASN 31 H ASN 31 -0.316 -12.044 4.343 249 HA ASN 31 HA ASN 31 -2.784 -10.714 3.727 250 1HB ASN 31 1HB ASN 31 -2.799 -10.134 6.372 251 2HB ASN 31 2HB ASN 31 -3.673 -11.510 5.728 252 1HD2 ASN 31 1HD2 ASN 31 -3.475 -12.404 7.843 253 2HD2 ASN 31 2HD2 ASN 31 -2.038 -13.236 8.336 254 HA PRO 32 HA PRO 32 1.037 -8.183 4.170 255 1HB PRO 32 1HB PRO 32 1.214 -7.255 1.606 256 2HB PRO 32 2HB PRO 32 2.091 -8.660 2.179 257 1HG PRO 32 1HG PRO 32 -0.304 -8.548 0.449 258 2HG PRO 32 2HG PRO 32 0.821 -9.871 0.683 259 1HD PRO 32 1HD PRO 32 -1.809 -9.635 1.803 260 2HD PRO 32 2HD PRO 32 -0.641 -10.900 2.128 261 H ILE 33 H ILE 33 1.406 -5.827 4.042 262 HA ILE 33 HA ILE 33 -1.117 -4.425 3.611 263 HB ILE 33 HB ILE 33 0.448 -4.543 6.169 264 1HG1 ILE 33 1HG1 ILE 33 -2.544 -4.559 5.732 265 2HG1 ILE 33 2HG1 ILE 33 -1.579 -6.021 5.664 266 1HG2 ILE 33 1HG2 ILE 33 -1.387 -2.566 6.620 267 2HG2 ILE 33 2HG2 ILE 33 0.343 -2.309 6.294 268 3HG2 ILE 33 3HG2 ILE 33 -0.840 -2.187 4.970 269 1HD1 ILE 33 1HD1 ILE 33 -0.629 -5.033 8.001 270 2HD1 ILE 33 2HD1 ILE 33 -2.245 -4.286 8.017 271 3HD1 ILE 33 3HD1 ILE 33 -2.083 -6.056 7.919 272 H LEU 34 H LEU 34 -0.854 -2.469 2.600 273 HA LEU 34 HA LEU 34 1.883 -1.809 1.887 274 1HB LEU 34 1HB LEU 34 -0.832 -1.193 0.804 275 2HB LEU 34 2HB LEU 34 0.486 -0.092 0.452 276 HG LEU 34 HG LEU 34 1.609 -1.611 -0.872 277 1HD1 LEU 34 1HD1 LEU 34 1.166 -4.092 -0.815 278 2HD1 LEU 34 2HD1 LEU 34 1.919 -3.411 0.648 279 3HD1 LEU 34 3HD1 LEU 34 0.184 -3.809 0.642 280 1HD2 LEU 34 1HD2 LEU 34 -1.272 -2.493 -1.202 281 2HD2 LEU 34 2HD2 LEU 34 -0.565 -1.004 -1.873 282 3HD2 LEU 34 3HD2 LEU 34 0.024 -2.593 -2.417 283 H ARG 35 H ARG 35 3.026 -0.346 3.023 284 HA ARG 35 HA ARG 35 1.453 1.591 4.522 285 1HB ARG 35 1HB ARG 35 2.733 0.131 6.018 286 2HB ARG 35 2HB ARG 35 4.199 0.374 5.089 287 1HG ARG 35 1HG ARG 35 3.155 2.967 5.865 288 2HG ARG 35 2HG ARG 35 3.220 1.943 7.286 289 1HD ARG 35 1HD ARG 35 5.599 2.035 5.404 290 2HD ARG 35 2HD ARG 35 5.363 3.331 6.560 291 HE ARG 35 HE ARG 35 5.079 1.007 8.078 292 1HH1 ARG 35 2HH2 ARG 35 7.585 2.336 5.995 293 2HH1 ARG 35 1HH2 ARG 35 8.882 1.577 6.856 294 1HH2 ARG 35 2HH1 ARG 35 6.790 0.006 9.214 295 2HH2 ARG 35 1HH1 ARG 35 8.427 0.243 8.699 296 H ILE 36 H ILE 36 1.543 3.624 3.620 297 HA ILE 36 HA ILE 36 3.743 4.242 1.840 298 HB ILE 36 HB ILE 36 1.026 5.330 2.386 299 1HG1 ILE 36 1HG1 ILE 36 1.139 5.401 -0.194 300 2HG1 ILE 36 2HG1 ILE 36 2.610 4.463 -0.032 301 1HG2 ILE 36 1HG2 ILE 36 1.803 7.259 0.766 302 2HG2 ILE 36 2HG2 ILE 36 1.980 7.406 2.531 303 3HG2 ILE 36 3HG2 ILE 36 3.383 6.960 1.530 304 1HD1 ILE 36 1HD1 ILE 36 0.591 3.311 1.696 305 2HD1 ILE 36 2HD1 ILE 36 -0.080 3.514 0.060 306 3HD1 ILE 36 3HD1 ILE 36 1.412 2.574 0.299 307 H ARG 37 H ARG 37 5.579 5.142 2.588 308 HA ARG 37 HA ARG 37 5.273 6.933 4.860 309 1HB ARG 37 1HB ARG 37 7.390 6.115 5.791 310 2HB ARG 37 2HB ARG 37 6.331 4.744 5.529 311 1HG ARG 37 1HG ARG 37 7.969 3.794 4.282 312 2HG ARG 37 2HG ARG 37 7.711 5.039 3.077 313 1HD ARG 37 1HD ARG 37 10.059 5.109 3.660 314 2HD ARG 37 2HD ARG 37 9.324 6.532 4.370 315 HE ARG 37 HE ARG 37 9.637 5.621 6.531 316 1HH1 ARG 37 2HH2 ARG 37 10.392 3.228 4.064 317 2HH1 ARG 37 1HH2 ARG 37 11.136 2.129 5.177 318 1HH2 ARG 37 2HH1 ARG 37 10.618 4.171 7.999 319 2HH2 ARG 37 1HH1 ARG 37 11.265 2.669 7.430 320 H VAL 38 H VAL 38 6.822 8.742 4.910 321 HA VAL 38 HA VAL 38 7.856 9.321 2.235 322 HB VAL 38 HB VAL 38 7.458 11.230 4.536 323 1HG1 VAL 38 1HG1 VAL 38 8.889 12.093 2.793 324 2HG1 VAL 38 2HG1 VAL 38 7.730 11.601 1.535 325 3HG1 VAL 38 3HG1 VAL 38 7.305 12.897 2.679 326 1HG2 VAL 38 1HG2 VAL 38 5.444 9.894 2.897 327 2HG2 VAL 38 2HG2 VAL 38 5.251 10.905 4.349 328 3HG2 VAL 38 3HG2 VAL 38 5.372 11.666 2.745 329 H VAL 39 H VAL 39 9.959 8.785 1.956 330 HA VAL 39 HA VAL 39 11.732 9.207 4.264 331 HB VAL 39 HB VAL 39 11.355 6.844 3.558 332 1HG1 VAL 39 1HG1 VAL 39 13.123 6.949 1.244 333 2HG1 VAL 39 2HG1 VAL 39 11.544 6.151 1.440 334 3HG1 VAL 39 3HG1 VAL 39 11.622 7.867 0.975 335 1HG2 VAL 39 1HG2 VAL 39 13.723 6.216 3.602 336 2HG2 VAL 39 2HG2 VAL 39 14.185 7.885 3.188 337 3HG2 VAL 39 3HG2 VAL 39 13.396 7.541 4.746 338 HA PRO 40 HA PRO 40 13.666 12.125 1.707 339 1HB PRO 40 1HB PRO 40 15.888 12.620 3.219 340 2HB PRO 40 2HB PRO 40 14.334 13.369 3.526 341 1HG PRO 40 1HG PRO 40 15.665 11.185 5.009 342 2HG PRO 40 2HG PRO 40 14.349 12.220 5.526 343 1HD PRO 40 1HD PRO 40 14.148 9.495 4.651 344 2HD PRO 40 2HD PRO 40 12.822 10.566 5.058 345 H GLY 41 H GLY 41 13.780 9.968 0.339 346 1HA GLY 41 1HA GLY 41 16.614 9.255 0.039 347 2HA GLY 41 2HA GLY 41 15.233 8.372 -0.579 348 H GLY 42 H GLY 42 16.783 11.651 -0.855 349 1HA GLY 42 1HA GLY 42 17.637 12.398 -2.940 350 2HA GLY 42 2HA GLY 42 16.414 11.460 -3.774 351 H CYS 43 H CYS 43 17.274 14.567 -2.986 352 HA CYS 43 HA CYS 43 14.836 15.649 -2.113 353 1HB CYS 43 1HB CYS 43 15.820 17.813 -2.657 354 2HB CYS 43 2HB CYS 43 16.980 16.806 -1.814 355 HG CYS 43 HG CYS 43 18.556 16.336 -3.617 356 H SER 44 H SER 44 15.991 14.373 -5.138 357 HA SER 44 HA SER 44 14.075 15.924 -6.646 358 1HB SER 44 1HB SER 44 16.320 15.640 -7.612 359 2HB SER 44 2HB SER 44 16.186 13.896 -7.501 360 HG SER 44 HG SER 44 14.188 15.339 -8.961 361 H GLY 45 H GLY 45 14.543 12.794 -5.125 362 1HA GLY 45 1HA GLY 45 12.376 11.567 -6.675 363 2HA GLY 45 2HA GLY 45 13.478 10.764 -5.575 364 H PHE 46 H PHE 46 13.355 11.709 -3.172 365 HA PHE 46 HA PHE 46 12.086 11.549 -1.348 366 1HB PHE 46 1HB PHE 46 10.581 13.550 -1.159 367 2HB PHE 46 2HB PHE 46 12.071 13.990 -1.970 368 HD1 PHE 46 1HD PHE 46 12.085 14.394 -4.406 369 HD2 PHE 46 2HD PHE 46 8.477 13.607 -2.314 370 HE1 PHE 46 1HE PHE 46 10.765 15.290 -6.344 371 HE2 PHE 46 2HE PHE 46 7.158 14.503 -4.252 372 HZ PHE 46 HZ PHE 46 8.318 15.333 -6.244 373 H GLN 47 H GLN 47 11.204 9.773 -3.606 374 HA GLN 47 HA GLN 47 8.393 9.839 -3.642 375 1HB GLN 47 1HB GLN 47 10.275 7.541 -4.336 376 2HB GLN 47 2HB GLN 47 8.593 7.668 -4.811 377 1HG GLN 47 1HG GLN 47 9.339 8.703 -6.694 378 2HG GLN 47 2HG GLN 47 9.638 10.104 -5.683 379 1HE2 GLN 47 1HE2 GLN 47 11.065 9.528 -7.995 380 2HE2 GLN 47 2HE2 GLN 47 12.717 9.186 -7.604 381 H TYR 48 H TYR 48 7.273 7.493 -3.080 382 HA TYR 48 HA TYR 48 7.915 7.088 -0.244 383 1HB TYR 48 1HB TYR 48 5.428 6.472 -1.959 384 2HB TYR 48 2HB TYR 48 5.500 6.336 -0.213 385 HD1 TYR 48 1HD TYR 48 5.093 8.217 1.185 386 HD2 TYR 48 2HD TYR 48 5.629 8.773 -3.023 387 HE1 TYR 48 1HE TYR 48 4.315 10.628 1.397 388 HE2 TYR 48 2HE TYR 48 4.849 11.182 -2.797 389 HH TYR 48 HH TYR 48 3.778 12.605 -1.450 390 H ALA 49 H ALA 49 9.039 5.263 0.203 391 HA ALA 49 HA ALA 49 9.090 3.126 -1.719 392 1HB ALA 49 1HB ALA 49 10.402 2.307 0.613 393 2HB ALA 49 2HB ALA 49 11.152 3.070 -0.809 394 3HB ALA 49 3HB ALA 49 10.645 4.069 0.573 395 H MET 50 H MET 50 8.630 0.839 -1.078 396 HA MET 50 HA MET 50 6.177 0.823 0.451 397 1HB MET 50 1HB MET 50 7.315 -0.631 -1.828 398 2HB MET 50 2HB MET 50 6.792 -1.774 -0.607 399 1HG MET 50 1HG MET 50 5.000 0.503 -1.559 400 2HG MET 50 2HG MET 50 5.028 -1.054 -2.363 401 1HE MET 50 1HE MET 50 2.405 0.014 0.970 402 2HE MET 50 2HE MET 50 3.856 1.000 0.669 403 3HE MET 50 3HE MET 50 2.718 0.664 -0.657 404 H GLY 51 H GLY 51 5.822 -1.403 1.718 405 1HA GLY 51 1HA GLY 51 8.004 -2.764 2.819 406 2HA GLY 51 2HA GLY 51 7.636 -1.410 3.870 407 H PHE 52 H PHE 52 6.566 -4.540 2.651 408 HA PHE 52 HA PHE 52 3.937 -4.438 3.651 409 1HB PHE 52 1HB PHE 52 4.250 -6.992 3.410 410 2HB PHE 52 2HB PHE 52 4.630 -6.078 1.964 411 HD1 PHE 52 1HD PHE 52 6.027 -8.031 4.729 412 HD2 PHE 52 2HD PHE 52 6.912 -5.889 1.174 413 HE1 PHE 52 1HE PHE 52 8.314 -9.065 4.675 414 HE2 PHE 52 2HE PHE 52 9.198 -6.923 1.120 415 HZ PHE 52 HZ PHE 52 9.872 -8.498 2.871 416 H ASP 53 H ASP 53 3.469 -4.094 5.779 417 HA ASP 53 HA ASP 53 5.198 -5.442 7.696 418 1HB ASP 53 1HB ASP 53 3.508 -2.928 7.801 419 2HB ASP 53 2HB ASP 53 3.881 -3.767 9.293 420 H ASP 54 H ASP 54 3.771 -5.866 9.885 421 HA ASP 54 HA ASP 54 1.212 -6.945 8.997 422 1HB ASP 54 1HB ASP 54 3.150 -8.623 9.490 423 2HB ASP 54 2HB ASP 54 2.949 -8.178 11.173 424 H THR 55 H THR 55 0.999 -4.467 9.939 425 HA THR 55 HA THR 55 -0.307 -4.731 12.444 426 HB THR 55 HB THR 55 2.079 -4.676 13.220 427 HG1 THR 55 1HG THR 55 0.295 -3.582 14.388 428 1HG2 THR 55 1HG2 THR 55 2.132 -2.338 11.359 429 2HG2 THR 55 2HG2 THR 55 2.843 -2.035 12.963 430 3HG2 THR 55 3HG2 THR 55 3.477 -3.348 11.942 431 H VAL 56 H VAL 56 -0.809 -2.297 13.264 432 HA VAL 56 HA VAL 56 -1.242 -0.634 10.905 433 HB VAL 56 HB VAL 56 -3.283 -2.069 12.478 434 1HG1 VAL 56 1HG1 VAL 56 -3.567 0.879 11.832 435 2HG1 VAL 56 2HG1 VAL 56 -4.953 -0.200 12.120 436 3HG1 VAL 56 3HG1 VAL 56 -3.758 0.076 13.409 437 1HG2 VAL 56 1HG2 VAL 56 -3.341 -2.675 10.262 438 2HG2 VAL 56 2HG2 VAL 56 -4.543 -1.362 10.255 439 3HG2 VAL 56 3HG2 VAL 56 -2.884 -1.053 9.688 440 H GLU 57 H GLU 57 -1.646 1.629 11.450 441 HA GLU 57 HA GLU 57 -0.373 2.250 13.966 442 1HB GLU 57 1HB GLU 57 -1.152 4.212 11.777 443 2HB GLU 57 2HB GLU 57 0.047 4.433 13.036 444 1HG GLU 57 1HG GLU 57 0.652 2.020 11.512 445 2HG GLU 57 2HG GLU 57 0.456 3.376 10.419 446 H GLU 58 H GLU 58 -1.273 4.421 15.032 447 HA GLU 58 HA GLU 58 -3.996 3.817 15.638 448 1HB GLU 58 1HB GLU 58 -1.956 4.678 17.176 449 2HB GLU 58 2HB GLU 58 -2.616 6.246 16.752 450 1HG GLU 58 1HG GLU 58 -4.810 5.651 17.647 451 2HG GLU 58 2HG GLU 58 -4.332 3.978 17.858 452 H GLY 59 H GLY 59 -3.054 5.002 12.930 453 1HA GLY 59 1HA GLY 59 -5.290 6.701 12.530 454 2HA GLY 59 2HA GLY 59 -3.824 7.652 12.659 455 H ASP 60 H ASP 60 -4.220 4.312 11.323 456 HA ASP 60 HA ASP 60 -2.959 5.283 8.913 457 1HB ASP 60 1HB ASP 60 -3.068 2.761 10.394 458 2HB ASP 60 2HB ASP 60 -3.488 2.492 8.714 459 H HIS 61 H HIS 61 -4.009 5.103 6.836 460 HA HIS 61 HA HIS 61 -6.854 5.043 6.959 461 1HB HIS 61 1HB HIS 61 -6.006 6.630 5.486 462 2HB HIS 61 2HB HIS 61 -4.790 5.547 4.839 463 HD1 HIS 61 1HD HIS 61 -8.243 4.149 5.022 464 HD2 HIS 61 2HD HIS 61 -5.848 6.169 2.232 465 HE1 HIS 61 1HE HIS 61 -9.399 3.886 2.762 466 H VAL 62 H VAL 62 -7.902 3.127 7.212 467 HA VAL 62 HA VAL 62 -6.728 0.699 6.263 468 HB VAL 62 HB VAL 62 -8.779 1.548 8.078 469 1HG1 VAL 62 1HG1 VAL 62 -10.309 -0.473 7.611 470 2HG1 VAL 62 2HG1 VAL 62 -10.507 0.975 6.594 471 3HG1 VAL 62 3HG1 VAL 62 -9.627 -0.440 5.967 472 1HG2 VAL 62 1HG2 VAL 62 -6.706 -0.124 8.185 473 2HG2 VAL 62 2HG2 VAL 62 -8.113 -0.297 9.262 474 3HG2 VAL 62 3HG2 VAL 62 -7.972 -1.319 7.811 475 H PHE 63 H PHE 63 -6.571 0.527 4.054 476 HA PHE 63 HA PHE 63 -9.067 0.990 2.577 477 1HB PHE 63 1HB PHE 63 -6.543 2.176 2.310 478 2HB PHE 63 2HB PHE 63 -6.413 0.847 1.176 479 HD1 PHE 63 1HD PHE 63 -9.598 1.080 0.695 480 HD2 PHE 63 2HD PHE 63 -6.282 3.710 0.384 481 HE1 PHE 63 1HE PHE 63 -10.829 2.429 -1.027 482 HE2 PHE 63 2HE PHE 63 -7.513 5.059 -1.338 483 HZ PHE 63 HZ PHE 63 -9.772 4.402 -2.023 484 H GLU 64 H GLU 64 -10.029 -0.930 2.096 485 HA GLU 64 HA GLU 64 -8.433 -3.287 1.984 486 1HB GLU 64 1HB GLU 64 -11.407 -2.822 1.491 487 2HB GLU 64 2HB GLU 64 -10.652 -4.403 1.533 488 1HG GLU 64 1HG GLU 64 -9.833 -3.895 3.879 489 2HG GLU 64 2HG GLU 64 -10.720 -2.385 3.826 490 H TYR 65 H TYR 65 -7.545 -4.207 0.175 491 HA TYR 65 HA TYR 65 -8.428 -3.111 -2.407 492 1HB TYR 65 1HB TYR 65 -5.891 -3.496 -1.030 493 2HB TYR 65 2HB TYR 65 -5.906 -4.604 -2.388 494 HD1 TYR 65 1HD TYR 65 -5.770 -3.802 -4.667 495 HD2 TYR 65 2HD TYR 65 -6.009 -1.044 -1.405 496 HE1 TYR 65 1HE TYR 65 -5.102 -1.901 -6.216 497 HE2 TYR 65 2HE TYR 65 -5.340 0.848 -2.966 498 HH TYR 65 HH TYR 65 -5.581 1.224 -5.544 499 H ASP 66 H ASP 66 -6.930 -5.138 -3.907 500 HA ASP 66 HA ASP 66 -8.963 -7.017 -4.114 501 1HB ASP 66 1HB ASP 66 -7.399 -6.370 -5.957 502 2HB ASP 66 2HB ASP 66 -6.073 -7.132 -5.101 503 H GLY 67 H GLY 67 -8.898 -7.582 -1.653 504 1HA GLY 67 1HA GLY 67 -8.658 -9.412 -0.289 505 2HA GLY 67 2HA GLY 67 -7.383 -10.037 -1.316 506 H VAL 68 H VAL 68 -5.936 -7.367 -1.359 507 HA VAL 68 HA VAL 68 -4.633 -7.724 1.223 508 HB VAL 68 HB VAL 68 -3.731 -6.105 -1.159 509 1HG1 VAL 68 1HG1 VAL 68 -1.500 -6.387 -0.181 510 2HG1 VAL 68 2HG1 VAL 68 -2.607 -5.598 0.968 511 3HG1 VAL 68 3HG1 VAL 68 -2.198 -7.319 1.165 512 1HG2 VAL 68 1HG2 VAL 68 -4.129 -8.419 -1.874 513 2HG2 VAL 68 2HG2 VAL 68 -2.389 -8.046 -1.837 514 3HG2 VAL 68 3HG2 VAL 68 -3.120 -9.014 -0.534 515 H LYS 69 H LYS 69 -4.003 -5.803 2.495 516 HA LYS 69 HA LYS 69 -5.983 -3.661 2.142 517 1HB LYS 69 1HB LYS 69 -6.187 -5.199 4.168 518 2HB LYS 69 2HB LYS 69 -4.695 -4.490 4.750 519 1HG LYS 69 1HG LYS 69 -5.898 -2.181 4.313 520 2HG LYS 69 2HG LYS 69 -7.370 -3.131 4.291 521 1HD LYS 69 1HD LYS 69 -5.381 -3.391 6.577 522 2HD LYS 69 2HD LYS 69 -6.580 -2.113 6.570 523 1HE LYS 69 1HE LYS 69 -8.082 -3.584 7.422 524 2HE LYS 69 2HE LYS 69 -8.026 -4.464 5.908 525 1HZ LYS 69 1HZ LYS 69 -7.214 -6.085 7.158 526 2HZ LYS 69 2HZ LYS 69 -5.796 -5.275 7.147 527 3HZ LYS 69 3HZ LYS 69 -6.823 -5.108 8.406 528 H VAL 70 H VAL 70 -5.281 -1.470 2.627 529 HA VAL 70 HA VAL 70 -2.360 -1.185 2.482 530 HB VAL 70 HB VAL 70 -4.462 0.460 1.059 531 1HG1 VAL 70 1HG1 VAL 70 -2.392 1.396 -0.113 532 2HG1 VAL 70 2HG1 VAL 70 -2.667 1.917 1.567 533 3HG1 VAL 70 3HG1 VAL 70 -1.447 0.671 1.209 534 1HG2 VAL 70 1HG2 VAL 70 -3.205 -0.501 -0.992 535 2HG2 VAL 70 2HG2 VAL 70 -2.628 -1.751 0.136 536 3HG2 VAL 70 3HG2 VAL 70 -4.373 -1.544 -0.146 537 H VAL 71 H VAL 71 -1.530 0.833 3.443 538 HA VAL 71 HA VAL 71 -3.408 2.224 5.169 539 HB VAL 71 HB VAL 71 -2.413 1.692 7.167 540 1HG1 VAL 71 1HG1 VAL 71 -3.591 -0.266 6.428 541 2HG1 VAL 71 2HG1 VAL 71 -2.201 -0.805 5.455 542 3HG1 VAL 71 3HG1 VAL 71 -2.096 -0.801 7.232 543 1HG2 VAL 71 1HG2 VAL 71 0.021 0.741 5.623 544 2HG2 VAL 71 2HG2 VAL 71 -0.117 2.207 6.622 545 3HG2 VAL 71 3HG2 VAL 71 -0.177 0.601 7.386 546 H ILE 72 H ILE 72 -2.592 4.302 5.880 547 HA ILE 72 HA ILE 72 -0.056 5.091 4.675 548 HB ILE 72 HB ILE 72 -2.563 6.716 4.288 549 1HG1 ILE 72 1HG1 ILE 72 -1.415 5.354 1.933 550 2HG1 ILE 72 2HG1 ILE 72 -2.181 4.282 3.088 551 1HG2 ILE 72 1HG2 ILE 72 -0.954 8.248 3.921 552 2HG2 ILE 72 2HG2 ILE 72 0.304 7.023 3.629 553 3HG2 ILE 72 3HG2 ILE 72 -0.840 7.450 2.334 554 1HD1 ILE 72 1HD1 ILE 72 -3.776 6.713 2.656 555 2HD1 ILE 72 2HD1 ILE 72 -3.489 5.819 1.144 556 3HD1 ILE 72 3HD1 ILE 72 -4.260 5.005 2.527 557 H ASP 73 H ASP 73 0.652 7.286 5.538 558 HA ASP 73 HA ASP 73 0.109 7.252 8.350 559 1HB ASP 73 1HB ASP 73 2.106 8.587 6.520 560 2HB ASP 73 2HB ASP 73 1.842 9.295 8.101 561 HA PRO 74 HA PRO 74 -2.374 10.866 8.254 562 1HB PRO 74 1HB PRO 74 -1.748 12.151 10.583 563 2HB PRO 74 2HB PRO 74 -2.818 10.765 10.511 564 1HG PRO 74 1HG PRO 74 -0.019 10.897 11.452 565 2HG PRO 74 2HG PRO 74 -1.223 9.661 11.758 566 1HD PRO 74 1HD PRO 74 0.970 9.502 9.916 567 2HD PRO 74 2HD PRO 74 -0.299 8.315 10.139 568 H PHE 75 H PHE 75 1.012 11.256 8.380 569 HA PHE 75 HA PHE 75 0.762 14.073 7.709 570 1HB PHE 75 1HB PHE 75 2.506 12.656 9.270 571 2HB PHE 75 2HB PHE 75 3.340 12.465 7.741 572 HD1 PHE 75 1HD PHE 75 2.599 14.701 10.466 573 HD2 PHE 75 2HD PHE 75 4.115 14.509 6.508 574 HE1 PHE 75 1HE PHE 75 3.660 16.957 10.763 575 HE2 PHE 75 2HE PHE 75 5.176 16.764 6.804 576 HZ PHE 75 HZ PHE 75 4.936 17.961 8.929 577 H SER 76 H SER 76 0.764 11.048 6.133 578 HA SER 76 HA SER 76 2.238 11.996 3.856 579 1HB SER 76 1HB SER 76 2.343 9.602 4.710 580 2HB SER 76 2HB SER 76 0.682 9.395 4.190 581 HG SER 76 HG SER 76 2.043 10.463 2.104 582 H MET 77 H MET 77 -1.015 11.947 5.089 583 HA MET 77 HA MET 77 -2.478 11.692 2.785 584 1HB MET 77 1HB MET 77 -2.912 12.322 5.507 585 2HB MET 77 2HB MET 77 -3.494 13.748 4.670 586 1HG MET 77 1HG MET 77 -5.308 12.063 4.971 587 2HG MET 77 2HG MET 77 -4.999 12.373 3.274 588 1HE MET 77 1HE MET 77 -5.238 9.001 2.142 589 2HE MET 77 2HE MET 77 -5.640 10.734 2.084 590 3HE MET 77 3HE MET 77 -4.036 10.174 1.551 591 HA PRO 78 HA PRO 78 -1.977 16.382 2.252 592 1HB PRO 78 1HB PRO 78 -0.134 17.736 3.748 593 2HB PRO 78 2HB PRO 78 -1.832 17.645 4.172 594 1HG PRO 78 1HG PRO 78 0.460 16.225 5.385 595 2HG PRO 78 2HG PRO 78 -1.145 16.481 6.041 596 1HD PRO 78 1HD PRO 78 -0.126 14.057 4.894 597 2HD PRO 78 2HD PRO 78 -1.765 14.349 5.444 598 H TYR 79 H TYR 79 0.254 14.032 2.200 599 HA TYR 79 HA TYR 79 1.960 15.606 0.389 600 1HB TYR 79 1HB TYR 79 2.572 14.208 2.725 601 2HB TYR 79 2HB TYR 79 2.771 12.934 1.539 602 HD1 TYR 79 1HD TYR 79 3.714 15.018 -0.675 603 HD2 TYR 79 2HD TYR 79 4.941 14.141 3.329 604 HE1 TYR 79 1HE TYR 79 6.051 15.873 -1.195 605 HE2 TYR 79 2HE TYR 79 7.274 14.999 2.795 606 HH TYR 79 HH TYR 79 8.512 15.228 0.003 607 H VAL 80 H VAL 80 -0.413 13.134 0.641 608 HA VAL 80 HA VAL 80 0.122 12.383 -2.112 609 HB VAL 80 HB VAL 80 0.063 10.039 -1.695 610 1HG1 VAL 80 1HG1 VAL 80 2.010 11.400 0.198 611 2HG1 VAL 80 2HG1 VAL 80 2.131 9.715 -0.362 612 3HG1 VAL 80 3HG1 VAL 80 2.267 11.052 -1.529 613 1HG2 VAL 80 1HG2 VAL 80 -0.804 9.070 0.126 614 2HG2 VAL 80 2HG2 VAL 80 0.242 10.011 1.215 615 3HG2 VAL 80 3HG2 VAL 80 -1.300 10.698 0.650 616 H ASN 81 H ASN 81 -1.795 14.175 -1.093 617 HA ASN 81 HA ASN 81 -4.197 12.675 -0.694 618 1HB ASN 81 1HB ASN 81 -4.150 14.711 0.547 619 2HB ASN 81 2HB ASN 81 -3.455 15.619 -0.781 620 1HD2 ASN 81 1HD2 ASN 81 -5.132 17.152 -0.351 621 2HD2 ASN 81 2HD2 ASN 81 -6.721 16.945 -1.011 622 H GLY 82 H GLY 82 -5.488 12.003 -2.418 623 1HA GLY 82 1HA GLY 82 -6.351 11.832 -4.484 624 2HA GLY 82 2HA GLY 82 -6.163 13.569 -4.619 625 H ALA 83 H ALA 83 -3.948 10.677 -4.501 626 HA ALA 83 HA ALA 83 -2.949 11.342 -7.118 627 1HB ALA 83 1HB ALA 83 -1.408 11.861 -4.585 628 2HB ALA 83 2HB ALA 83 -0.537 11.278 -6.023 629 3HB ALA 83 3HB ALA 83 -1.457 12.800 -6.097 630 H GLU 84 H GLU 84 -1.452 9.614 -7.912 631 HA GLU 84 HA GLU 84 -2.041 7.142 -6.482 632 1HB GLU 84 1HB GLU 84 -1.911 6.000 -8.659 633 2HB GLU 84 2HB GLU 84 -3.093 7.293 -8.719 634 1HG GLU 84 1HG GLU 84 -1.193 8.788 -9.657 635 2HG GLU 84 2HG GLU 84 -0.267 7.314 -9.857 636 H LEU 85 H LEU 85 -0.347 5.458 -6.470 637 HA LEU 85 HA LEU 85 2.326 6.618 -6.855 638 1HB LEU 85 1HB LEU 85 2.435 6.486 -4.633 639 2HB LEU 85 2HB LEU 85 1.070 5.394 -4.515 640 HG LEU 85 HG LEU 85 2.526 3.490 -5.089 641 1HD1 LEU 85 1HD1 LEU 85 4.362 3.946 -6.275 642 2HD1 LEU 85 2HD1 LEU 85 4.418 5.636 -5.719 643 3HD1 LEU 85 3HD1 LEU 85 5.115 4.344 -4.713 644 1HD2 LEU 85 1HD2 LEU 85 2.239 4.651 -2.691 645 2HD2 LEU 85 2HD2 LEU 85 3.216 3.186 -2.953 646 3HD2 LEU 85 3HD2 LEU 85 4.007 4.778 -2.858 647 H ASP 86 H ASP 86 3.170 5.717 -8.660 648 HA ASP 86 HA ASP 86 2.385 3.011 -9.280 649 1HB ASP 86 1HB ASP 86 4.344 4.466 -11.009 650 2HB ASP 86 2HB ASP 86 2.957 3.501 -11.473 651 H TYR 87 H TYR 87 3.664 1.526 -8.125 652 HA TYR 87 HA TYR 87 6.433 2.152 -7.584 653 1HB TYR 87 1HB TYR 87 4.478 0.892 -6.203 654 2HB TYR 87 2HB TYR 87 4.965 -0.496 -7.157 655 HD1 TYR 87 1HD TYR 87 5.972 1.840 -4.498 656 HD2 TYR 87 2HD TYR 87 7.120 -1.586 -6.790 657 HE1 TYR 87 1HE TYR 87 7.839 1.350 -2.844 658 HE2 TYR 87 2HE TYR 87 8.983 -2.064 -5.128 659 HH TYR 87 HH TYR 87 9.665 -1.616 -3.013 660 H VAL 88 H VAL 88 8.119 1.577 -8.859 661 HA VAL 88 HA VAL 88 7.624 0.022 -11.198 662 HB VAL 88 HB VAL 88 10.087 1.256 -9.962 663 1HG1 VAL 88 1HG1 VAL 88 11.029 -0.505 -11.170 664 2HG1 VAL 88 2HG1 VAL 88 9.786 -0.432 -12.443 665 3HG1 VAL 88 3HG1 VAL 88 11.035 0.833 -12.343 666 1HG2 VAL 88 1HG2 VAL 88 9.031 3.078 -10.798 667 2HG2 VAL 88 2HG2 VAL 88 9.708 2.505 -12.341 668 3HG2 VAL 88 3HG2 VAL 88 8.024 2.121 -11.910 669 H VAL 89 H VAL 89 8.674 -2.007 -11.757 670 HA VAL 89 HA VAL 89 9.516 -3.535 -9.396 671 HB VAL 89 HB VAL 89 7.796 -4.580 -11.649 672 1HG1 VAL 89 1HG1 VAL 89 7.520 -6.541 -10.302 673 2HG1 VAL 89 2HG1 VAL 89 9.264 -6.196 -10.386 674 3HG1 VAL 89 3HG1 VAL 89 8.345 -5.783 -8.919 675 1HG2 VAL 89 1HG2 VAL 89 6.140 -3.383 -10.694 676 2HG2 VAL 89 2HG2 VAL 89 6.191 -4.637 -9.432 677 3HG2 VAL 89 3HG2 VAL 89 7.065 -3.103 -9.199 678 H ASP 90 H ASP 90 11.555 -4.280 -9.634 679 HA ASP 90 HA ASP 90 12.353 -5.411 -12.093 680 1HB ASP 90 1HB ASP 90 13.680 -2.825 -11.154 681 2HB ASP 90 2HB ASP 90 14.357 -3.879 -12.380 682 H PHE 91 H PHE 91 15.069 -5.646 -11.780 683 HA PHE 91 HA PHE 91 16.425 -7.026 -10.640 684 1HB PHE 91 1HB PHE 91 16.585 -4.410 -9.924 685 2HB PHE 91 2HB PHE 91 16.074 -5.029 -8.366 686 HD1 PHE 91 1HD PHE 91 18.440 -6.386 -10.920 687 HD2 PHE 91 2HD PHE 91 17.890 -5.008 -6.944 688 HE1 PHE 91 1HE PHE 91 20.816 -6.990 -10.382 689 HE2 PHE 91 2HE PHE 91 20.265 -5.613 -6.406 690 HZ PHE 91 HZ PHE 91 21.700 -6.597 -8.131 691 H MET 92 H MET 92 16.529 -6.714 -7.518 692 HA MET 92 HA MET 92 14.760 -8.940 -7.092 693 1HB MET 92 1HB MET 92 17.244 -7.866 -5.953 694 2HB MET 92 2HB MET 92 16.090 -8.170 -4.669 695 1HG MET 92 1HG MET 92 16.353 -10.426 -4.852 696 2HG MET 92 2HG MET 92 16.080 -10.386 -6.582 697 1HE MET 92 1HE MET 92 17.582 -11.309 -7.992 698 2HE MET 92 2HE MET 92 19.307 -11.645 -7.708 699 3HE MET 92 3HE MET 92 18.068 -12.452 -6.716 700 H GLY 93 H GLY 93 14.118 -5.795 -7.277 701 1HA GLY 93 1HA GLY 93 12.046 -5.925 -5.233 702 2HA GLY 93 2HA GLY 93 13.228 -4.643 -5.058 703 H GLY 94 H GLY 94 13.106 -2.799 -6.349 704 1HA GLY 94 1HA GLY 94 12.064 -2.558 -8.872 705 2HA GLY 94 2HA GLY 94 10.678 -2.405 -7.811 706 H GLY 95 H GLY 95 10.442 -0.157 -8.486 707 1HA GLY 95 1HA GLY 95 12.336 1.614 -7.073 708 2HA GLY 95 2HA GLY 95 11.842 1.942 -8.722 709 H PHE 96 H PHE 96 11.259 3.973 -7.129 710 HA PHE 96 HA PHE 96 8.412 3.610 -6.509 711 1HB PHE 96 1HB PHE 96 10.078 5.759 -5.195 712 2HB PHE 96 2HB PHE 96 8.781 4.809 -4.499 713 HD1 PHE 96 1HD PHE 96 12.340 5.130 -4.904 714 HD2 PHE 96 2HD PHE 96 9.254 2.441 -3.784 715 HE1 PHE 96 1HE PHE 96 14.026 3.678 -3.741 716 HE2 PHE 96 2HE PHE 96 10.939 0.990 -2.622 717 HZ PHE 96 HZ PHE 96 13.306 1.625 -2.614 718 H THR 97 H THR 97 7.032 4.988 -7.550 719 HA THR 97 HA THR 97 8.104 7.518 -8.542 720 HB THR 97 HB THR 97 6.791 5.327 -10.229 721 HG1 THR 97 1HG THR 97 8.900 5.256 -11.032 722 1HG2 THR 97 1HG2 THR 97 7.881 7.783 -11.515 723 2HG2 THR 97 2HG2 THR 97 6.419 6.852 -11.919 724 3HG2 THR 97 3HG2 THR 97 6.377 8.048 -10.601 725 H ILE 98 H ILE 98 6.604 9.185 -8.688 726 HA ILE 98 HA ILE 98 3.941 8.465 -7.674 727 HB ILE 98 HB ILE 98 5.735 10.777 -6.966 728 1HG1 ILE 98 1HG1 ILE 98 5.963 8.605 -5.735 729 2HG1 ILE 98 2HG1 ILE 98 5.562 9.985 -4.732 730 1HG2 ILE 98 1HG2 ILE 98 2.753 10.562 -6.828 731 2HG2 ILE 98 2HG2 ILE 98 3.626 11.385 -5.512 732 3HG2 ILE 98 3HG2 ILE 98 3.787 11.966 -7.187 733 1HD1 ILE 98 1HD1 ILE 98 3.051 8.993 -5.520 734 2HD1 ILE 98 2HD1 ILE 98 4.025 7.535 -5.215 735 3HD1 ILE 98 3HD1 ILE 98 3.828 8.756 -3.936 736 H ARG 99 H ARG 99 2.188 9.246 -8.798 737 HA ARG 99 HA ARG 99 2.883 10.959 -11.048 738 1HB ARG 99 1HB ARG 99 1.270 8.468 -10.854 739 2HB ARG 99 2HB ARG 99 0.467 9.745 -11.745 740 1HG ARG 99 1HG ARG 99 2.658 10.024 -13.079 741 2HG ARG 99 2HG ARG 99 3.211 8.545 -12.319 742 1HD ARG 99 1HD ARG 99 1.811 7.212 -13.575 743 2HD ARG 99 2HD ARG 99 0.483 8.353 -13.499 744 HE ARG 99 HE ARG 99 2.400 8.128 -15.634 745 1HH1 ARG 99 2HH2 ARG 99 0.594 10.541 -13.818 746 2HH1 ARG 99 1HH2 ARG 99 0.591 11.696 -15.109 747 1HH2 ARG 99 2HH1 ARG 99 2.396 9.651 -17.338 748 2HH2 ARG 99 1HH1 ARG 99 1.623 11.186 -17.124 749 H ASN 100 H ASN 100 1.423 12.709 -11.543 750 HA ASN 100 HA ASN 100 -0.593 13.122 -9.476 751 1HB ASN 100 1HB ASN 100 1.560 14.886 -10.541 752 2HB ASN 100 2HB ASN 100 -0.009 15.665 -10.479 753 1HD2 ASN 100 1HD2 ASN 100 -0.479 16.663 -8.686 754 2HD2 ASN 100 2HD2 ASN 100 0.111 16.311 -7.096 755 HA PRO 101 HA PRO 101 -3.293 13.629 -12.897 756 1HB PRO 101 1HB PRO 101 -5.339 15.053 -11.775 757 2HB PRO 101 2HB PRO 101 -5.158 13.320 -11.582 758 1HG PRO 101 1HG PRO 101 -4.603 15.470 -9.630 759 2HG PRO 101 2HG PRO 101 -4.839 13.758 -9.340 760 1HD PRO 101 1HD PRO 101 -2.341 15.168 -9.356 761 2HD PRO 101 2HD PRO 101 -2.568 13.439 -9.181
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