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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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5152 |
1ghk ![]() ![]() |
cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 3H ALA 1 -10.144 11.346 1.921 2 2H ALA 1 2H ALA 1 -9.584 11.928 0.427 3 3H ALA 1 1H ALA 1 -11.232 11.577 0.641 4 HA ALA 1 HA ALA 1 -10.794 9.248 0.832 5 1HB ALA 1 1HB ALA 1 -10.802 10.533 -1.462 6 2HB ALA 1 3HB ALA 1 -9.089 10.116 -1.485 7 3HB ALA 1 2HB ALA 1 -10.306 8.842 -1.417 8 H ILE 2 H ILE 2 -8.502 8.086 -0.530 9 HA ILE 2 HA ILE 2 -6.304 8.658 1.407 10 HB ILE 2 HB ILE 2 -7.278 5.895 0.618 11 1HG1 ILE 2 2HG1 ILE 2 -7.606 5.961 3.269 12 2HG1 ILE 2 1HG1 ILE 2 -7.800 7.686 2.957 13 1HG2 ILE 2 1HG2 ILE 2 -4.747 6.579 1.278 14 2HG2 ILE 2 3HG2 ILE 2 -5.423 6.363 2.893 15 3HG2 ILE 2 2HG2 ILE 2 -5.469 5.035 1.733 16 1HD1 ILE 2 2HD1 ILE 2 -9.344 6.642 0.970 17 2HD1 ILE 2 1HD1 ILE 2 -9.568 5.428 2.229 18 3HD1 ILE 2 3HD1 ILE 2 -9.969 7.116 2.549 19 H ASP 3 H ASP 3 -4.582 9.246 0.183 20 HA ASP 3 HA ASP 3 -4.370 8.294 -2.604 21 1HB ASP 3 2HB ASP 3 -3.896 10.643 -2.216 22 2HB ASP 3 1HB ASP 3 -2.704 10.237 -0.976 23 H ILE 4 H ILE 4 -2.976 6.699 -3.245 24 HA ILE 4 HA ILE 4 -1.290 5.452 -1.133 25 HB ILE 4 HB ILE 4 -2.107 4.417 -3.866 26 1HG1 ILE 4 2HG1 ILE 4 -3.043 3.503 -1.134 27 2HG1 ILE 4 1HG1 ILE 4 -3.924 4.694 -2.093 28 1HG2 ILE 4 3HG2 ILE 4 0.089 3.652 -2.508 29 2HG2 ILE 4 2HG2 ILE 4 -1.107 2.646 -1.691 30 3HG2 ILE 4 1HG2 ILE 4 -0.890 2.516 -3.436 31 1HD1 ILE 4 3HD1 ILE 4 -3.274 2.490 -3.796 32 2HD1 ILE 4 2HD1 ILE 4 -4.002 1.849 -2.323 33 3HD1 ILE 4 1HD1 ILE 4 -4.870 3.042 -3.289 34 H LYS 5 H LYS 5 0.870 5.826 -1.172 35 HA LYS 5 HA LYS 5 2.094 6.648 -3.777 36 1HB LYS 5 2HB LYS 5 3.161 7.514 -1.093 37 2HB LYS 5 1HB LYS 5 3.443 8.238 -2.677 38 1HG LYS 5 2HG LYS 5 0.836 8.607 -2.651 39 2HG LYS 5 1HG LYS 5 1.029 8.447 -0.905 40 1HD LYS 5 2HD LYS 5 1.903 10.516 -0.742 41 2HD LYS 5 1HD LYS 5 3.082 10.172 -2.009 42 1HE LYS 5 2HE LYS 5 0.770 10.390 -3.465 43 2HE LYS 5 1HE LYS 5 0.491 11.569 -2.184 44 1HZ LYS 5 2HZ LYS 5 3.004 11.453 -3.750 45 2HZ LYS 5 1HZ LYS 5 1.682 12.422 -4.198 46 3HZ LYS 5 3HZ LYS 5 2.473 12.698 -2.723 47 H ALA 6 H ALA 6 4.625 6.328 -3.569 48 HA ALA 6 HA ALA 6 5.023 3.495 -2.963 49 1HB ALA 6 3HB ALA 6 6.768 5.683 -4.094 50 2HB ALA 6 2HB ALA 6 7.436 4.105 -3.674 51 3HB ALA 6 1HB ALA 6 6.171 4.230 -4.897 52 HA PRO 7 HA PRO 7 6.828 3.958 1.008 53 1HB PRO 7 2HB PRO 7 8.636 1.888 0.964 54 2HB PRO 7 1HB PRO 7 6.886 1.656 1.122 55 1HG PRO 7 2HG PRO 7 8.635 1.182 -1.247 56 2HG PRO 7 1HG PRO 7 7.095 0.419 -0.819 57 1HD PRO 7 2HD PRO 7 7.453 2.467 -2.741 58 2HD PRO 7 1HD PRO 7 5.899 1.927 -2.064 59 H THR 8 H THR 8 9.094 4.104 2.113 60 HA THR 8 HA THR 8 10.780 5.867 0.437 61 HB THR 8 HB THR 8 11.203 5.216 3.357 62 HG1 THR 8 HG1 THR 8 9.349 6.126 3.666 63 1HG2 THR 8 3HG2 THR 8 12.961 6.451 2.063 64 2HG2 THR 8 2HG2 THR 8 11.770 7.709 1.733 65 3HG2 THR 8 1HG2 THR 8 12.278 7.389 3.391 66 H PHE 9 H PHE 9 12.794 5.275 -0.285 67 HA PHE 9 HA PHE 9 13.682 2.508 0.359 68 1HB PHE 9 2HB PHE 9 14.805 4.333 -1.779 69 2HB PHE 9 1HB PHE 9 14.942 2.574 -1.669 70 HD1 PHE 9 HD1 PHE 9 12.628 1.278 -1.570 71 HD2 PHE 9 HD2 PHE 9 13.153 5.237 -3.157 72 HE1 PHE 9 HE1 PHE 9 10.534 1.031 -2.879 73 HE2 PHE 9 HE2 PHE 9 11.059 4.991 -4.465 74 HZ PHE 9 HZ PHE 9 9.750 2.888 -4.327 75 HA PRO 10 HA PRO 10 17.094 3.996 2.686 76 1HB PRO 10 2HB PRO 10 18.832 1.902 2.295 77 2HB PRO 10 1HB PRO 10 17.416 1.814 3.357 78 1HG PRO 10 2HG PRO 10 17.812 0.617 0.654 79 2HG PRO 10 1HG PRO 10 16.760 0.081 1.975 80 1HD PRO 10 2HD PRO 10 15.934 1.501 -0.332 81 2HD PRO 10 1HD PRO 10 14.971 1.249 1.142 82 H GLU 11 H GLU 11 19.829 3.499 2.157 83 HA GLU 11 HA GLU 11 20.318 5.450 0.040 84 1HB GLU 11 2HB GLU 11 21.991 3.981 2.045 85 2HB GLU 11 1HB GLU 11 22.789 4.703 0.648 86 1HG GLU 11 2HG GLU 11 22.351 6.847 1.331 87 2HG GLU 11 1HG GLU 11 20.806 6.408 2.062 88 H SER 12 H SER 12 21.478 2.096 0.561 89 HA SER 12 HA SER 12 22.691 1.596 -1.857 90 1HB SER 12 2HB SER 12 22.574 -0.128 -0.156 91 2HB SER 12 1HB SER 12 20.820 -0.229 -0.321 92 HG SER 12 HG SER 12 21.077 -1.445 -2.016 93 H ILE 13 H ILE 13 19.179 1.455 -1.236 94 HA ILE 13 HA ILE 13 18.750 1.257 -4.181 95 HB ILE 13 HB ILE 13 16.826 0.809 -1.877 96 1HG1 ILE 13 2HG1 ILE 13 18.648 -0.904 -2.172 97 2HG1 ILE 13 1HG1 ILE 13 17.026 -1.546 -2.432 98 1HG2 ILE 13 1HG2 ILE 13 16.496 1.061 -4.804 99 2HG2 ILE 13 3HG2 ILE 13 15.726 -0.357 -4.092 100 3HG2 ILE 13 2HG2 ILE 13 15.307 1.257 -3.516 101 1HD1 ILE 13 2HD1 ILE 13 17.333 -1.166 -4.893 102 2HD1 ILE 13 1HD1 ILE 13 19.004 -0.703 -4.568 103 3HD1 ILE 13 3HD1 ILE 13 18.460 -2.345 -4.221 104 H ALA 14 H ALA 14 17.752 2.928 -5.270 105 HA ALA 14 HA ALA 14 16.874 5.261 -3.612 106 1HB ALA 14 3HB ALA 14 18.707 5.063 -5.889 107 2HB ALA 14 2HB ALA 14 17.438 6.262 -6.139 108 3HB ALA 14 1HB ALA 14 18.495 6.377 -4.732 109 H ASP 15 H ASP 15 15.476 2.832 -4.993 110 HA ASP 15 HA ASP 15 13.081 4.280 -5.719 111 1HB ASP 15 2HB ASP 15 13.151 3.169 -8.116 112 2HB ASP 15 1HB ASP 15 13.929 4.728 -7.841 113 H GLY 16 H GLY 16 11.697 2.412 -7.134 114 1HA GLY 16 2HA GLY 16 12.188 -0.239 -5.915 115 2HA GLY 16 1HA GLY 16 10.676 0.562 -5.483 116 H THR 17 H THR 17 9.876 -1.518 -6.609 117 HA THR 17 HA THR 17 9.197 -0.794 -9.391 118 HB THR 17 HB THR 17 10.130 -3.606 -8.909 119 HG1 THR 17 HG1 THR 17 11.903 -1.702 -9.920 120 1HG2 THR 17 1HG2 THR 17 8.916 -2.814 -10.997 121 2HG2 THR 17 3HG2 THR 17 10.336 -1.827 -11.346 122 3HG2 THR 17 2HG2 THR 17 10.478 -3.584 -11.279 123 H VAL 18 H VAL 18 7.059 -1.221 -9.703 124 HA VAL 18 HA VAL 18 5.380 -2.250 -7.672 125 HB VAL 18 HB VAL 18 4.877 -2.252 -10.665 126 1HG1 VAL 18 1HG1 VAL 18 3.245 -2.885 -8.278 127 2HG1 VAL 18 3HG1 VAL 18 2.481 -1.805 -9.444 128 3HG1 VAL 18 2HG1 VAL 18 3.038 -3.400 -9.952 129 1HG2 VAL 18 1HG2 VAL 18 5.537 -0.033 -9.705 130 2HG2 VAL 18 3HG2 VAL 18 3.878 -0.058 -10.303 131 3HG2 VAL 18 2HG2 VAL 18 4.192 -0.165 -8.571 132 H ALA 19 H ALA 19 4.273 -4.310 -7.529 133 HA ALA 19 HA ALA 19 5.947 -6.544 -8.541 134 1HB ALA 19 1HB ALA 19 4.721 -6.056 -6.081 135 2HB ALA 19 3HB ALA 19 3.708 -7.292 -6.828 136 3HB ALA 19 2HB ALA 19 5.433 -7.583 -6.602 137 H THR 20 H THR 20 2.430 -6.315 -7.940 138 HA THR 20 HA THR 20 1.821 -6.803 -10.759 139 HB THR 20 HB THR 20 1.446 -8.971 -8.678 140 HG1 THR 20 HG1 THR 20 3.293 -9.378 -9.651 141 1HG2 THR 20 1HG2 THR 20 -0.196 -8.269 -10.975 142 2HG2 THR 20 3HG2 THR 20 0.484 -9.889 -11.133 143 3HG2 THR 20 2HG2 THR 20 -0.487 -9.473 -9.720 144 H TRP 21 H TRP 21 -0.183 -5.950 -11.181 145 HA TRP 21 HA TRP 21 -1.763 -4.969 -8.901 146 1HB TRP 21 2HB TRP 21 -1.598 -4.435 -11.832 147 2HB TRP 21 1HB TRP 21 -3.140 -4.138 -11.034 148 HD1 TRP 21 HD1 TRP 21 0.343 -2.776 -11.393 149 HE1 TRP 21 HE1 TRP 21 0.561 -0.596 -10.023 150 HE3 TRP 21 HE3 TRP 21 -4.040 -2.915 -8.772 151 HZ2 TRP 21 HZ2 TRP 21 -0.897 0.875 -8.103 152 HZ3 TRP 21 HZ3 TRP 21 -4.602 -1.102 -7.171 153 HH2 TRP 21 HH2 TRP 21 -3.036 0.795 -6.833 154 H HIS 22 H HIS 22 -2.501 -7.109 -8.200 155 HA HIS 22 HA HIS 22 -3.782 -9.091 -9.658 156 1HB HIS 22 2HB HIS 22 -5.215 -8.173 -7.190 157 2HB HIS 22 1HB HIS 22 -4.791 -9.811 -7.696 158 HD1 HIS 22 HD1 HIS 22 -3.292 -6.708 -6.172 159 HD2 HIS 22 HD2 HIS 22 -2.250 -10.688 -6.833 160 HE1 HIS 22 HE1 HIS 22 -1.088 -7.068 -5.011 161 H LYS 23 H LYS 23 -5.649 -6.428 -8.147 162 HA LYS 23 HA LYS 23 -7.734 -6.835 -10.221 163 1HB LYS 23 2HB LYS 23 -7.702 -5.945 -7.456 164 2HB LYS 23 1HB LYS 23 -8.543 -4.784 -8.483 165 1HG LYS 23 2HG LYS 23 -10.167 -6.412 -7.744 166 2HG LYS 23 1HG LYS 23 -9.849 -6.714 -9.452 167 1HD LYS 23 2HD LYS 23 -7.960 -8.165 -7.808 168 2HD LYS 23 1HD LYS 23 -9.614 -8.560 -7.338 169 1HE LYS 23 2HE LYS 23 -10.029 -9.651 -9.284 170 2HE LYS 23 1HE LYS 23 -9.213 -8.421 -10.249 171 1HZ LYS 23 2HZ LYS 23 -7.383 -9.881 -8.623 172 2HZ LYS 23 1HZ LYS 23 -8.259 -10.915 -9.648 173 3HZ LYS 23 3HZ LYS 23 -7.369 -9.628 -10.303 174 H LYS 24 H LYS 24 -8.823 -4.513 -10.742 175 HA LYS 24 HA LYS 24 -6.593 -2.669 -11.505 176 1HB LYS 24 2HB LYS 24 -8.552 -4.048 -13.176 177 2HB LYS 24 1HB LYS 24 -8.593 -2.300 -13.407 178 1HG LYS 24 2HG LYS 24 -6.550 -2.264 -14.396 179 2HG LYS 24 1HG LYS 24 -5.874 -3.418 -13.245 180 1HD LYS 24 2HD LYS 24 -7.860 -4.682 -14.950 181 2HD LYS 24 1HD LYS 24 -6.576 -3.941 -15.907 182 1HE LYS 24 2HE LYS 24 -4.899 -5.090 -14.430 183 2HE LYS 24 1HE LYS 24 -6.237 -5.935 -13.650 184 1HZ LYS 24 3HZ LYS 24 -6.871 -6.617 -16.011 185 2HZ LYS 24 2HZ LYS 24 -5.295 -6.150 -16.440 186 3HZ LYS 24 1HZ LYS 24 -5.537 -7.387 -15.301 187 HA PRO 25 HA PRO 25 -9.034 0.598 -9.894 188 1HB PRO 25 2HB PRO 25 -8.563 2.601 -11.719 189 2HB PRO 25 1HB PRO 25 -7.366 2.056 -10.532 190 1HG PRO 25 2HG PRO 25 -7.485 1.514 -13.466 191 2HG PRO 25 1HG PRO 25 -6.076 1.586 -12.395 192 1HD PRO 25 2HD PRO 25 -7.298 -0.777 -13.332 193 2HD PRO 25 1HD PRO 25 -6.154 -0.669 -11.979 194 H GLY 26 H GLY 26 -11.243 0.761 -9.949 195 1HA GLY 26 2HA GLY 26 -13.183 1.767 -11.166 196 2HA GLY 26 1HA GLY 26 -12.563 0.986 -12.626 197 H GLU 27 H GLU 27 -12.191 -0.943 -9.852 198 HA GLU 27 HA GLU 27 -14.652 -2.481 -10.586 199 1HB GLU 27 2HB GLU 27 -12.119 -3.639 -9.399 200 2HB GLU 27 1HB GLU 27 -13.471 -4.515 -10.116 201 1HG GLU 27 2HG GLU 27 -12.480 -2.592 -12.013 202 2HG GLU 27 1HG GLU 27 -11.138 -3.574 -11.425 203 H ALA 28 H ALA 28 -14.860 -4.204 -8.516 204 HA ALA 28 HA ALA 28 -15.340 -2.376 -6.221 205 1HB ALA 28 2HB ALA 28 -16.656 -4.762 -7.308 206 2HB ALA 28 1HB ALA 28 -16.442 -4.828 -5.559 207 3HB ALA 28 3HB ALA 28 -17.316 -3.482 -6.290 208 H VAL 29 H VAL 29 -14.672 -3.024 -4.075 209 HA VAL 29 HA VAL 29 -12.653 -5.212 -3.970 210 HB VAL 29 HB VAL 29 -11.316 -3.227 -4.271 211 1HG1 VAL 29 1HG1 VAL 29 -12.986 -2.040 -2.033 212 2HG1 VAL 29 3HG1 VAL 29 -11.593 -1.262 -2.784 213 3HG1 VAL 29 2HG1 VAL 29 -13.049 -1.569 -3.731 214 1HG2 VAL 29 3HG2 VAL 29 -10.628 -4.842 -2.474 215 2HG2 VAL 29 2HG2 VAL 29 -10.059 -3.198 -2.187 216 3HG2 VAL 29 1HG2 VAL 29 -11.450 -3.818 -1.297 217 H LYS 30 H LYS 30 -12.182 -5.849 -1.684 218 HA LYS 30 HA LYS 30 -14.356 -5.069 0.205 219 1HB LYS 30 2HB LYS 30 -14.553 -7.394 -1.094 220 2HB LYS 30 1HB LYS 30 -13.437 -7.912 0.171 221 1HG LYS 30 2HG LYS 30 -15.150 -8.053 1.619 222 2HG LYS 30 1HG LYS 30 -15.465 -6.330 1.404 223 1HD LYS 30 2HD LYS 30 -17.427 -6.931 0.464 224 2HD LYS 30 1HD LYS 30 -16.482 -7.487 -0.918 225 1HE LYS 30 2HE LYS 30 -16.544 -9.393 1.323 226 2HE LYS 30 1HE LYS 30 -18.123 -9.090 0.600 227 1HZ LYS 30 1HZ LYS 30 -15.777 -9.609 -1.106 228 2HZ LYS 30 3HZ LYS 30 -16.622 -10.901 -0.403 229 3HZ LYS 30 2HZ LYS 30 -17.425 -9.834 -1.454 230 H ARG 31 H ARG 31 -13.501 -4.480 2.139 231 HA ARG 31 HA ARG 31 -10.834 -4.246 2.769 232 1HB ARG 31 2HB ARG 31 -12.663 -3.352 4.178 233 2HB ARG 31 1HB ARG 31 -13.024 -4.988 4.731 234 1HG ARG 31 2HG ARG 31 -10.801 -5.187 5.720 235 2HG ARG 31 1HG ARG 31 -10.350 -3.603 5.088 236 1HD ARG 31 2HD ARG 31 -10.967 -3.301 7.399 237 2HD ARG 31 1HD ARG 31 -12.267 -2.627 6.415 238 HE ARG 31 HE ARG 31 -13.495 -4.804 6.843 239 1HH1 ARG 31 2HH1 ARG 31 -11.725 -6.583 8.130 240 2HH1 ARG 31 1HH1 ARG 31 -11.882 -6.251 9.823 241 1HH2 ARG 31 1HH2 ARG 31 -13.352 -3.146 9.347 242 2HH2 ARG 31 2HH2 ARG 31 -12.803 -4.305 10.512 243 H ASP 32 H ASP 32 -9.256 -5.559 3.783 244 HA ASP 32 HA ASP 32 -8.248 -7.562 4.517 245 1HB ASP 32 2HB ASP 32 -10.662 -7.844 5.568 246 2HB ASP 32 1HB ASP 32 -10.847 -9.040 4.284 247 H GLU 33 H GLU 33 -8.562 -6.769 1.719 248 HA GLU 33 HA GLU 33 -8.209 -9.465 0.505 249 1HB GLU 33 2HB GLU 33 -10.509 -8.089 0.072 250 2HB GLU 33 1HB GLU 33 -9.503 -7.423 -1.214 251 1HG GLU 33 2HG GLU 33 -8.893 -9.863 -1.764 252 2HG GLU 33 1HG GLU 33 -10.259 -10.307 -0.741 253 H LEU 34 H LEU 34 -6.256 -9.518 -0.491 254 HA LEU 34 HA LEU 34 -4.387 -7.502 -0.629 255 1HB LEU 34 2HB LEU 34 -3.957 -9.871 -1.259 256 2HB LEU 34 1HB LEU 34 -4.812 -9.599 -2.778 257 HG LEU 34 HG LEU 34 -3.189 -7.843 -3.383 258 1HD1 LEU 34 2HD1 LEU 34 -2.445 -8.214 -0.572 259 2HD1 LEU 34 1HD1 LEU 34 -1.053 -8.223 -1.655 260 3HD1 LEU 34 3HD1 LEU 34 -2.149 -6.841 -1.638 261 1HD2 LEU 34 3HD2 LEU 34 -2.092 -10.551 -2.592 262 2HD2 LEU 34 2HD2 LEU 34 -2.627 -10.023 -4.187 263 3HD2 LEU 34 1HD2 LEU 34 -1.139 -9.376 -3.498 264 H ILE 35 H ILE 35 -3.684 -6.070 -2.387 265 HA ILE 35 HA ILE 35 -5.787 -5.453 -4.402 266 HB ILE 35 HB ILE 35 -4.501 -3.461 -2.512 267 1HG1 ILE 35 2HG1 ILE 35 -6.439 -4.736 -1.616 268 2HG1 ILE 35 1HG1 ILE 35 -6.826 -3.028 -1.837 269 1HG2 ILE 35 2HG2 ILE 35 -6.249 -3.057 -4.956 270 2HG2 ILE 35 1HG2 ILE 35 -5.918 -1.800 -3.765 271 3HG2 ILE 35 3HG2 ILE 35 -4.600 -2.475 -4.724 272 1HD1 ILE 35 2HD1 ILE 35 -7.824 -3.593 -4.062 273 2HD1 ILE 35 1HD1 ILE 35 -7.548 -5.299 -3.711 274 3HD1 ILE 35 3HD1 ILE 35 -8.661 -4.363 -2.714 275 H VAL 36 H VAL 36 -2.447 -4.994 -3.293 276 HA VAL 36 HA VAL 36 -1.449 -5.283 -6.003 277 HB VAL 36 HB VAL 36 -2.196 -2.939 -6.123 278 1HG1 VAL 36 1HG1 VAL 36 -0.342 -2.553 -3.752 279 2HG1 VAL 36 3HG1 VAL 36 -1.158 -1.259 -4.629 280 3HG1 VAL 36 2HG1 VAL 36 -2.101 -2.435 -3.714 281 1HG2 VAL 36 2HG2 VAL 36 0.454 -3.904 -6.558 282 2HG2 VAL 36 1HG2 VAL 36 -0.374 -2.595 -7.401 283 3HG2 VAL 36 3HG2 VAL 36 0.582 -2.250 -5.960 284 H ASP 37 H ASP 37 0.700 -5.907 -5.936 285 HA ASP 37 HA ASP 37 1.925 -6.046 -3.230 286 1HB ASP 37 2HB ASP 37 2.198 -7.605 -5.766 287 2HB ASP 37 1HB ASP 37 3.603 -7.512 -4.703 288 H ILE 38 H ILE 38 4.237 -5.501 -3.023 289 HA ILE 38 HA ILE 38 5.123 -3.496 -5.061 290 HB ILE 38 HB ILE 38 5.598 -3.346 -2.070 291 1HG1 ILE 38 2HG1 ILE 38 3.782 -1.554 -3.685 292 2HG1 ILE 38 1HG1 ILE 38 3.177 -3.035 -2.943 293 1HG2 ILE 38 3HG2 ILE 38 6.102 -1.415 -4.354 294 2HG2 ILE 38 2HG2 ILE 38 6.297 -1.018 -2.647 295 3HG2 ILE 38 1HG2 ILE 38 7.327 -2.240 -3.392 296 1HD1 ILE 38 2HD1 ILE 38 4.802 -1.382 -1.132 297 2HD1 ILE 38 1HD1 ILE 38 3.321 -0.596 -1.677 298 3HD1 ILE 38 3HD1 ILE 38 3.241 -2.154 -0.853 299 H GLU 39 H GLU 39 7.441 -3.349 -5.338 300 HA GLU 39 HA GLU 39 8.855 -5.829 -4.450 301 1HB GLU 39 2HB GLU 39 8.480 -5.112 -6.988 302 2HB GLU 39 1HB GLU 39 9.898 -4.112 -6.668 303 1HG GLU 39 2HG GLU 39 11.198 -6.038 -6.014 304 2HG GLU 39 1HG GLU 39 9.774 -7.079 -6.068 305 H THR 40 H THR 40 10.434 -5.526 -2.959 306 HA THR 40 HA THR 40 11.531 -2.767 -2.632 307 HB THR 40 HB THR 40 11.851 -3.232 -0.353 308 HG1 THR 40 HG1 THR 40 12.894 -5.084 -0.216 309 1HG2 THR 40 1HG2 THR 40 9.369 -3.561 -1.392 310 2HG2 THR 40 3HG2 THR 40 9.574 -5.114 -0.582 311 3HG2 THR 40 2HG2 THR 40 9.709 -3.616 0.338 312 H ASP 41 H ASP 41 13.832 -3.489 -1.166 313 HA ASP 41 HA ASP 41 15.809 -3.789 -3.055 314 1HB ASP 41 2HB ASP 41 15.913 -3.530 -0.419 315 2HB ASP 41 1HB ASP 41 16.179 -5.273 -0.481 316 H LYS 42 H LYS 42 14.797 -6.574 -1.040 317 HA LYS 42 HA LYS 42 14.889 -8.280 -3.470 318 1HB LYS 42 2HB LYS 42 16.619 -8.555 -1.023 319 2HB LYS 42 1HB LYS 42 16.144 -9.991 -1.932 320 1HG LYS 42 2HG LYS 42 17.512 -9.488 -3.671 321 2HG LYS 42 1HG LYS 42 17.092 -7.776 -3.621 322 1HD LYS 42 2HD LYS 42 19.326 -7.713 -2.961 323 2HD LYS 42 1HD LYS 42 18.507 -7.791 -1.401 324 1HE LYS 42 2HE LYS 42 19.052 -10.036 -1.073 325 2HE LYS 42 1HE LYS 42 19.261 -10.340 -2.798 326 1HZ LYS 42 1HZ LYS 42 21.049 -8.622 -1.166 327 2HZ LYS 42 3HZ LYS 42 21.373 -10.239 -1.561 328 3HZ LYS 42 2HZ LYS 42 21.274 -9.070 -2.790 329 H VAL 43 H VAL 43 12.806 -7.244 -1.548 330 HA VAL 43 HA VAL 43 11.646 -9.910 -0.885 331 HB VAL 43 HB VAL 43 11.534 -7.482 0.930 332 1HG1 VAL 43 1HG1 VAL 43 9.793 -9.633 0.715 333 2HG1 VAL 43 3HG1 VAL 43 10.882 -10.123 2.013 334 3HG1 VAL 43 2HG1 VAL 43 9.987 -8.609 2.137 335 1HG2 VAL 43 1HG2 VAL 43 13.485 -9.640 0.639 336 2HG2 VAL 43 3HG2 VAL 43 13.587 -8.162 1.597 337 3HG2 VAL 43 2HG2 VAL 43 12.788 -9.589 2.258 338 H VAL 44 H VAL 44 9.494 -10.072 -1.438 339 HA VAL 44 HA VAL 44 8.279 -7.689 -2.724 340 HB VAL 44 HB VAL 44 7.543 -10.629 -2.737 341 1HG1 VAL 44 2HG1 VAL 44 5.932 -8.270 -3.290 342 2HG1 VAL 44 1HG1 VAL 44 6.094 -9.285 -4.723 343 3HG1 VAL 44 3HG1 VAL 44 5.444 -9.964 -3.231 344 1HG2 VAL 44 3HG2 VAL 44 9.497 -9.915 -4.116 345 2HG2 VAL 44 2HG2 VAL 44 8.149 -10.477 -5.105 346 3HG2 VAL 44 1HG2 VAL 44 8.459 -8.749 -4.938 347 H MET 45 H MET 45 6.913 -6.472 -1.520 348 HA MET 45 HA MET 45 5.706 -7.649 0.918 349 1HB MET 45 2HB MET 45 5.857 -4.811 -0.134 350 2HB MET 45 1HB MET 45 4.996 -5.261 1.339 351 1HG MET 45 2HG MET 45 7.407 -6.480 1.751 352 2HG MET 45 1HG MET 45 7.901 -5.049 0.847 353 1HE MET 45 1HE MET 45 9.280 -4.778 2.768 354 2HE MET 45 3HE MET 45 8.834 -3.072 2.620 355 3HE MET 45 2HE MET 45 8.859 -3.845 4.203 356 H GLU 46 H GLU 46 3.342 -6.611 1.280 357 HA GLU 46 HA GLU 46 1.803 -6.937 -1.259 358 1HB GLU 46 2HB GLU 46 0.049 -8.042 0.372 359 2HB GLU 46 1HB GLU 46 1.369 -9.011 -0.285 360 1HG GLU 46 2HG GLU 46 2.462 -9.138 1.729 361 2HG GLU 46 1HG GLU 46 1.931 -7.533 2.236 362 H VAL 47 H VAL 47 -0.139 -5.703 -1.346 363 HA VAL 47 HA VAL 47 -0.441 -3.715 0.871 364 HB VAL 47 HB VAL 47 -1.019 -3.230 -2.064 365 1HG1 VAL 47 2HG1 VAL 47 -1.657 -1.838 0.353 366 2HG1 VAL 47 1HG1 VAL 47 -0.471 -0.881 -0.535 367 3HG1 VAL 47 3HG1 VAL 47 -1.986 -1.345 -1.308 368 1HG2 VAL 47 2HG2 VAL 47 1.487 -3.566 -0.997 369 2HG2 VAL 47 1HG2 VAL 47 1.128 -2.541 -2.387 370 3HG2 VAL 47 3HG2 VAL 47 1.241 -1.834 -0.775 371 H LEU 48 H LEU 48 -2.263 -4.366 1.940 372 HA LEU 48 HA LEU 48 -4.549 -5.420 0.358 373 1HB LEU 48 2HB LEU 48 -3.471 -5.982 2.951 374 2HB LEU 48 1HB LEU 48 -5.116 -5.377 3.155 375 HG LEU 48 HG LEU 48 -5.445 -7.056 1.028 376 1HD1 LEU 48 3HD1 LEU 48 -3.037 -7.771 1.299 377 2HD1 LEU 48 2HD1 LEU 48 -3.473 -8.426 2.877 378 3HD1 LEU 48 1HD1 LEU 48 -4.201 -9.090 1.415 379 1HD2 LEU 48 3HD2 LEU 48 -6.648 -6.856 3.308 380 2HD2 LEU 48 2HD2 LEU 48 -6.616 -8.448 2.550 381 3HD2 LEU 48 1HD2 LEU 48 -5.507 -8.078 3.870 382 H ALA 49 H ALA 49 -6.674 -4.493 0.638 383 HA ALA 49 HA ALA 49 -6.625 -1.593 0.915 384 1HB ALA 49 1HB ALA 49 -8.739 -3.643 0.296 385 2HB ALA 49 3HB ALA 49 -9.203 -1.984 0.674 386 3HB ALA 49 2HB ALA 49 -8.157 -2.315 -0.707 387 H GLU 50 H GLU 50 -7.521 -0.371 2.602 388 HA GLU 50 HA GLU 50 -7.936 -1.866 5.133 389 1HB GLU 50 2HB GLU 50 -6.764 0.662 4.434 390 2HB GLU 50 1HB GLU 50 -8.105 0.944 5.545 391 1HG GLU 50 2HG GLU 50 -6.095 -1.231 6.094 392 2HG GLU 50 1HG GLU 50 -5.759 0.438 6.553 393 H ALA 51 H ALA 51 -9.909 -1.321 2.752 394 HA ALA 51 HA ALA 51 -12.321 -1.453 4.132 395 1HB ALA 51 1HB ALA 51 -11.206 1.274 4.082 396 2HB ALA 51 3HB ALA 51 -12.868 1.167 3.503 397 3HB ALA 51 2HB ALA 51 -12.458 0.590 5.118 398 H ASP 52 H ASP 52 -14.102 -1.480 2.681 399 HA ASP 52 HA ASP 52 -13.406 -1.835 -0.099 400 1HB ASP 52 2HB ASP 52 -15.213 -3.155 0.430 401 2HB ASP 52 1HB ASP 52 -15.900 -1.975 1.540 402 H GLY 53 H GLY 53 -14.738 -0.629 -1.824 403 1HA GLY 53 2HA GLY 53 -15.914 1.835 -1.689 404 2HA GLY 53 1HA GLY 53 -14.206 2.239 -1.480 405 H VAL 54 H VAL 54 -13.985 3.289 -3.495 406 HA VAL 54 HA VAL 54 -14.003 1.439 -5.834 407 HB VAL 54 HB VAL 54 -15.176 4.226 -5.688 408 1HG1 VAL 54 3HG1 VAL 54 -13.978 2.736 -7.953 409 2HG1 VAL 54 2HG1 VAL 54 -15.563 3.443 -8.263 410 3HG1 VAL 54 1HG1 VAL 54 -14.224 4.470 -7.751 411 1HG2 VAL 54 2HG2 VAL 54 -16.603 2.243 -5.091 412 2HG2 VAL 54 1HG2 VAL 54 -17.183 3.124 -6.505 413 3HG2 VAL 54 3HG2 VAL 54 -16.312 1.605 -6.709 414 H ILE 55 H ILE 55 -12.026 1.444 -6.783 415 HA ILE 55 HA ILE 55 -9.951 3.264 -5.934 416 HB ILE 55 HB ILE 55 -9.943 1.480 -8.383 417 1HG1 ILE 55 2HG1 ILE 55 -10.637 0.350 -6.192 418 2HG1 ILE 55 1HG1 ILE 55 -9.217 -0.322 -6.990 419 1HG2 ILE 55 3HG2 ILE 55 -7.839 2.803 -6.672 420 2HG2 ILE 55 2HG2 ILE 55 -7.460 1.382 -7.646 421 3HG2 ILE 55 1HG2 ILE 55 -8.026 2.860 -8.425 422 1HD1 ILE 55 2HD1 ILE 55 -8.932 1.835 -4.906 423 2HD1 ILE 55 1HD1 ILE 55 -9.078 0.141 -4.437 424 3HD1 ILE 55 3HD1 ILE 55 -7.732 0.663 -5.450 425 H ALA 56 H ALA 56 -8.788 4.759 -7.385 426 HA ALA 56 HA ALA 56 -10.693 6.187 -9.155 427 1HB ALA 56 2HB ALA 56 -8.822 7.072 -7.301 428 2HB ALA 56 1HB ALA 56 -8.031 7.367 -8.850 429 3HB ALA 56 3HB ALA 56 -9.614 8.072 -8.520 430 H GLU 57 H GLU 57 -7.187 5.444 -9.321 431 HA GLU 57 HA GLU 57 -7.326 4.021 -11.785 432 1HB GLU 57 2HB GLU 57 -6.484 5.754 -13.337 433 2HB GLU 57 1HB GLU 57 -8.078 6.178 -12.710 434 1HG GLU 57 2HG GLU 57 -6.666 7.401 -10.837 435 2HG GLU 57 1HG GLU 57 -5.410 7.387 -12.075 436 H ILE 58 H ILE 58 -5.253 3.271 -12.381 437 HA ILE 58 HA ILE 58 -3.113 3.936 -10.425 438 HB ILE 58 HB ILE 58 -3.244 1.677 -12.446 439 1HG1 ILE 58 2HG1 ILE 58 -5.036 1.382 -10.854 440 2HG1 ILE 58 1HG1 ILE 58 -3.724 0.301 -10.371 441 1HG2 ILE 58 1HG2 ILE 58 -1.449 2.207 -10.058 442 2HG2 ILE 58 3HG2 ILE 58 -1.458 0.714 -10.997 443 3HG2 ILE 58 2HG2 ILE 58 -0.964 2.228 -11.754 444 1HD1 ILE 58 2HD1 ILE 58 -2.931 2.101 -8.792 445 2HD1 ILE 58 1HD1 ILE 58 -4.397 3.004 -9.176 446 3HD1 ILE 58 3HD1 ILE 58 -4.511 1.432 -8.385 447 H VAL 59 H VAL 59 -1.409 5.171 -11.062 448 HA VAL 59 HA VAL 59 -1.220 5.947 -13.907 449 HB VAL 59 HB VAL 59 0.500 6.897 -11.603 450 1HG1 VAL 59 3HG1 VAL 59 -0.163 7.930 -14.368 451 2HG1 VAL 59 2HG1 VAL 59 0.553 8.955 -13.124 452 3HG1 VAL 59 1HG1 VAL 59 1.426 7.538 -13.708 453 1HG2 VAL 59 2HG2 VAL 59 -1.920 7.208 -11.101 454 2HG2 VAL 59 1HG2 VAL 59 -1.093 8.745 -11.354 455 3HG2 VAL 59 3HG2 VAL 59 -2.106 8.068 -12.629 456 H LYS 60 H LYS 60 0.522 4.054 -11.515 457 HA LYS 60 HA LYS 60 2.824 3.706 -13.337 458 1HB LYS 60 2HB LYS 60 2.558 3.688 -10.570 459 2HB LYS 60 1HB LYS 60 2.745 1.981 -10.975 460 1HG LYS 60 2HG LYS 60 4.972 2.595 -10.840 461 2HG LYS 60 1HG LYS 60 4.672 2.928 -12.547 462 1HD LYS 60 2HD LYS 60 3.972 5.149 -10.738 463 2HD LYS 60 1HD LYS 60 5.691 4.754 -10.773 464 1HE LYS 60 2HE LYS 60 5.933 5.626 -12.839 465 2HE LYS 60 1HE LYS 60 4.540 4.731 -13.447 466 1HZ LYS 60 1HZ LYS 60 3.381 6.588 -11.895 467 2HZ LYS 60 3HZ LYS 60 4.712 7.451 -12.494 468 3HZ LYS 60 2HZ LYS 60 3.606 6.743 -13.572 469 H ASN 61 H ASN 61 3.364 1.680 -14.274 470 HA ASN 61 HA ASN 61 1.082 -0.249 -14.376 471 1HB ASN 61 2HB ASN 61 3.201 0.515 -16.385 472 2HB ASN 61 1HB ASN 61 2.299 -0.993 -16.534 473 1HD2 ASN 61 2HD2 ASN 61 0.249 2.557 -16.958 474 2HD2 ASN 61 1HD2 ASN 61 1.681 2.531 -16.032 475 H GLU 62 H GLU 62 1.648 -2.541 -14.421 476 HA GLU 62 HA GLU 62 3.589 -3.287 -12.474 477 1HB GLU 62 2HB GLU 62 2.713 -5.199 -14.623 478 2HB GLU 62 1HB GLU 62 2.953 -5.496 -12.900 479 1HG GLU 62 2HG GLU 62 0.726 -5.242 -12.655 480 2HG GLU 62 1HG GLU 62 0.968 -3.527 -12.992 481 H GLY 63 H GLY 63 5.727 -3.931 -12.665 482 1HA GLY 63 2HA GLY 63 7.707 -4.628 -13.817 483 2HA GLY 63 1HA GLY 63 6.888 -4.328 -15.354 484 H ASP 64 H ASP 64 6.318 -1.725 -13.336 485 HA ASP 64 HA ASP 64 8.509 -0.199 -14.662 486 1HB ASP 64 2HB ASP 64 6.605 0.921 -15.298 487 2HB ASP 64 1HB ASP 64 5.707 0.454 -13.855 488 H THR 65 H THR 65 9.248 1.734 -13.284 489 HA THR 65 HA THR 65 9.840 0.706 -10.550 490 HB THR 65 HB THR 65 11.705 1.335 -12.186 491 HG1 THR 65 HG1 THR 65 12.891 2.268 -10.518 492 1HG2 THR 65 2HG2 THR 65 10.190 3.637 -12.474 493 2HG2 THR 65 1HG2 THR 65 11.517 4.156 -11.435 494 3HG2 THR 65 3HG2 THR 65 11.859 3.433 -13.007 495 H VAL 66 H VAL 66 9.686 2.188 -8.737 496 HA VAL 66 HA VAL 66 7.979 4.585 -9.260 497 HB VAL 66 HB VAL 66 6.766 4.057 -7.137 498 1HG1 VAL 66 2HG1 VAL 66 5.966 3.353 -9.442 499 2HG1 VAL 66 1HG1 VAL 66 6.643 1.759 -9.107 500 3HG1 VAL 66 3HG1 VAL 66 5.332 2.389 -8.108 501 1HG2 VAL 66 2HG2 VAL 66 8.877 2.147 -6.911 502 2HG2 VAL 66 1HG2 VAL 66 7.580 2.470 -5.761 503 3HG2 VAL 66 3HG2 VAL 66 7.359 1.256 -7.021 504 H LEU 67 H LEU 67 8.686 6.407 -8.216 505 HA LEU 67 HA LEU 67 11.107 6.145 -6.532 506 1HB LEU 67 2HB LEU 67 10.081 8.107 -8.365 507 2HB LEU 67 1HB LEU 67 10.325 8.864 -6.791 508 HG LEU 67 HG LEU 67 12.551 7.147 -7.285 509 1HD1 LEU 67 1HD1 LEU 67 11.509 7.855 -9.715 510 2HD1 LEU 67 3HD1 LEU 67 12.614 9.196 -9.413 511 3HD1 LEU 67 2HD1 LEU 67 13.221 7.540 -9.426 512 1HD2 LEU 67 3HD2 LEU 67 12.148 9.478 -6.054 513 2HD2 LEU 67 2HD2 LEU 67 13.741 9.038 -6.670 514 3HD2 LEU 67 1HD2 LEU 67 12.704 10.120 -7.599 515 H SER 68 H SER 68 11.173 7.691 -4.573 516 HA SER 68 HA SER 68 9.161 6.946 -2.708 517 1HB SER 68 2HB SER 68 11.607 8.299 -2.607 518 2HB SER 68 1HB SER 68 10.431 9.480 -2.035 519 HG SER 68 HG SER 68 9.683 7.873 -0.573 520 H GLY 69 H GLY 69 7.314 8.027 -1.968 521 1HA GLY 69 2HA GLY 69 5.526 9.551 -2.015 522 2HA GLY 69 1HA GLY 69 6.643 10.728 -2.707 523 H GLU 70 H GLU 70 6.586 7.820 -4.459 524 HA GLU 70 HA GLU 70 5.456 9.111 -6.785 525 1HB GLU 70 2HB GLU 70 7.089 7.369 -7.119 526 2HB GLU 70 1HB GLU 70 6.132 6.219 -6.184 527 1HG GLU 70 2HG GLU 70 5.794 5.772 -8.552 528 2HG GLU 70 1HG GLU 70 4.304 6.437 -7.882 529 H LEU 71 H LEU 71 3.317 9.418 -7.144 530 HA LEU 71 HA LEU 71 1.315 8.074 -5.499 531 1HB LEU 71 2HB LEU 71 1.029 10.422 -6.239 532 2HB LEU 71 1HB LEU 71 0.969 9.876 -7.916 533 HG LEU 71 HG LEU 71 -0.897 8.593 -5.966 534 1HD1 LEU 71 1HD1 LEU 71 -1.303 11.351 -7.165 535 2HD1 LEU 71 3HD1 LEU 71 -2.538 10.417 -6.322 536 3HD1 LEU 71 2HD1 LEU 71 -1.116 10.988 -5.450 537 1HD2 LEU 71 3HD2 LEU 71 -0.809 9.284 -8.896 538 2HD2 LEU 71 2HD2 LEU 71 -1.076 7.715 -8.135 539 3HD2 LEU 71 1HD2 LEU 71 -2.352 8.932 -8.117 540 H LEU 72 H LEU 72 0.802 5.983 -5.948 541 HA LEU 72 HA LEU 72 1.030 4.968 -8.709 542 1HB LEU 72 2HB LEU 72 0.039 3.462 -6.279 543 2HB LEU 72 1HB LEU 72 0.721 2.794 -7.763 544 HG LEU 72 HG LEU 72 2.438 4.718 -6.290 545 1HD1 LEU 72 2HD1 LEU 72 1.439 2.153 -5.139 546 2HD1 LEU 72 1HD1 LEU 72 3.159 2.501 -4.964 547 3HD1 LEU 72 3HD1 LEU 72 1.963 3.624 -4.319 548 1HD2 LEU 72 2HD2 LEU 72 2.668 2.296 -8.014 549 2HD2 LEU 72 1HD2 LEU 72 3.595 3.796 -8.055 550 3HD2 LEU 72 3HD2 LEU 72 3.960 2.568 -6.844 551 H GLY 73 H GLY 73 -1.404 6.145 -6.547 552 1HA GLY 73 2HA GLY 73 -3.422 6.351 -8.494 553 2HA GLY 73 1HA GLY 73 -3.674 4.796 -7.693 554 H LYS 74 H LYS 74 -5.740 6.261 -7.221 555 HA LYS 74 HA LYS 74 -5.336 7.313 -4.466 556 1HB LYS 74 2HB LYS 74 -7.144 8.727 -6.428 557 2HB LYS 74 1HB LYS 74 -6.534 9.314 -4.880 558 1HG LYS 74 2HG LYS 74 -5.080 10.422 -6.288 559 2HG LYS 74 1HG LYS 74 -4.181 8.918 -6.080 560 1HD LYS 74 2HD LYS 74 -4.217 8.786 -8.342 561 2HD LYS 74 1HD LYS 74 -5.902 8.301 -8.150 562 1HE LYS 74 2HE LYS 74 -6.482 10.787 -8.167 563 2HE LYS 74 1HE LYS 74 -4.825 11.073 -8.700 564 1HZ LYS 74 3HZ LYS 74 -5.731 9.059 -10.309 565 2HZ LYS 74 2HZ LYS 74 -7.063 10.105 -10.182 566 3HZ LYS 74 1HZ LYS 74 -5.570 10.691 -10.742 567 H LEU 75 H LEU 75 -7.275 7.183 -3.160 568 HA LEU 75 HA LEU 75 -9.124 5.072 -4.120 569 1HB LEU 75 2HB LEU 75 -7.945 5.027 -1.830 570 2HB LEU 75 1HB LEU 75 -9.075 6.297 -1.358 571 HG LEU 75 HG LEU 75 -10.573 4.251 -2.665 572 1HD1 LEU 75 1HD1 LEU 75 -8.434 3.294 -0.800 573 2HD1 LEU 75 3HD1 LEU 75 -10.021 2.527 -0.721 574 3HD1 LEU 75 2HD1 LEU 75 -9.106 2.509 -2.229 575 1HD2 LEU 75 2HD2 LEU 75 -10.919 5.966 -0.611 576 2HD2 LEU 75 1HD2 LEU 75 -11.928 4.536 -0.828 577 3HD2 LEU 75 3HD2 LEU 75 -10.577 4.497 0.304 578 H THR 76 H THR 76 -11.451 5.365 -3.892 579 HA THR 76 HA THR 76 -12.237 8.231 -4.179 580 HB THR 76 HB THR 76 -13.880 5.817 -4.971 581 HG1 THR 76 HG1 THR 76 -12.070 7.334 -6.541 582 1HG2 THR 76 3HG2 THR 76 -14.061 8.763 -5.252 583 2HG2 THR 76 2HG2 THR 76 -14.507 7.825 -6.677 584 3HG2 THR 76 1HG2 THR 76 -15.346 7.560 -5.148 585 H GLU 77 H GLU 77 -14.595 8.612 -3.389 586 HA GLU 77 HA GLU 77 -14.696 7.824 -0.578 587 1HB GLU 77 2HB GLU 77 -16.462 9.529 -2.343 588 2HB GLU 77 1HB GLU 77 -16.883 9.165 -0.669 589 1HG GLU 77 2HG GLU 77 -14.307 9.939 -0.342 590 2HG GLU 77 1HG GLU 77 -14.745 10.920 -1.742 591 H GLY 78 H GLY 78 -16.212 6.435 0.376 592 1HA GLY 78 2HA GLY 78 -17.654 4.665 -1.540 593 2HA GLY 78 1HA GLY 78 -17.208 4.222 0.108 594 H GLY 79 HN GLY 79 -19.711 3.669 -0.231 595 1HA GLY 79 2HA GLY 79 -21.817 4.097 0.738 596 2HA GLY 79 1HA GLY 79 -21.150 5.585 1.411 No H/Q in entry = 596 Start of MODEL 2 1 1H ALA 1 3H ALA 1 -11.287 8.403 1.349 2 2H ALA 1 2H ALA 1 -12.522 9.558 1.186 3 3H ALA 1 1H ALA 1 -12.350 8.325 0.030 4 HA ALA 1 HA ALA 1 -10.910 9.503 -1.146 5 1HB ALA 1 2HB ALA 1 -12.265 11.345 0.606 6 2HB ALA 1 1HB ALA 1 -10.620 11.914 0.318 7 3HB ALA 1 3HB ALA 1 -11.699 11.608 -1.044 8 H ILE 2 H ILE 2 -8.979 8.344 -0.837 9 HA ILE 2 HA ILE 2 -7.051 9.636 1.032 10 HB ILE 2 HB ILE 2 -6.189 7.426 1.699 11 1HG1 ILE 2 2HG1 ILE 2 -8.524 5.945 0.687 12 2HG1 ILE 2 1HG1 ILE 2 -7.453 6.533 -0.585 13 1HG2 ILE 2 1HG2 ILE 2 -9.091 8.090 2.128 14 2HG2 ILE 2 3HG2 ILE 2 -8.417 6.620 2.830 15 3HG2 ILE 2 2HG2 ILE 2 -7.748 8.192 3.267 16 1HD1 ILE 2 1HD1 ILE 2 -6.102 5.326 1.760 17 2HD1 ILE 2 3HD1 ILE 2 -7.036 4.210 0.762 18 3HD1 ILE 2 2HD1 ILE 2 -5.737 5.162 0.042 19 H ASP 3 H ASP 3 -4.743 8.746 0.473 20 HA ASP 3 HA ASP 3 -4.554 8.477 -2.502 21 1HB ASP 3 2HB ASP 3 -3.792 10.697 -1.618 22 2HB ASP 3 1HB ASP 3 -2.570 9.849 -0.662 23 H ILE 4 H ILE 4 -3.256 6.827 -3.251 24 HA ILE 4 HA ILE 4 -1.893 5.172 -1.167 25 HB ILE 4 HB ILE 4 -2.946 4.386 -3.903 26 1HG1 ILE 4 2HG1 ILE 4 -3.888 3.396 -1.211 27 2HG1 ILE 4 1HG1 ILE 4 -4.567 4.855 -1.931 28 1HG2 ILE 4 1HG2 ILE 4 -1.466 2.868 -1.746 29 2HG2 ILE 4 3HG2 ILE 4 -2.447 2.052 -2.964 30 3HG2 ILE 4 2HG2 ILE 4 -1.051 3.012 -3.455 31 1HD1 ILE 4 2HD1 ILE 4 -4.442 2.190 -3.365 32 2HD1 ILE 4 1HD1 ILE 4 -5.851 2.745 -2.461 33 3HD1 ILE 4 3HD1 ILE 4 -5.306 3.638 -3.880 34 H LYS 5 H LYS 5 0.289 5.367 -1.198 35 HA LYS 5 HA LYS 5 1.634 5.683 -3.844 36 1HB LYS 5 2HB LYS 5 3.092 7.388 -2.994 37 2HB LYS 5 1HB LYS 5 1.452 7.883 -2.573 38 1HG LYS 5 2HG LYS 5 2.002 6.457 -0.374 39 2HG LYS 5 1HG LYS 5 3.651 6.911 -0.807 40 1HD LYS 5 2HD LYS 5 2.946 8.691 0.566 41 2HD LYS 5 1HD LYS 5 2.687 9.312 -1.066 42 1HE LYS 5 2HE LYS 5 0.355 7.846 -0.268 43 2HE LYS 5 1HE LYS 5 0.760 8.998 1.006 44 1HZ LYS 5 2HZ LYS 5 0.992 10.683 -0.828 45 2HZ LYS 5 1HZ LYS 5 0.254 9.551 -1.859 46 3HZ LYS 5 3HZ LYS 5 -0.590 10.148 -0.514 47 H ALA 6 H ALA 6 3.866 4.899 -3.831 48 HA ALA 6 HA ALA 6 4.219 2.446 -2.447 49 1HB ALA 6 3HB ALA 6 5.548 3.776 -4.471 50 2HB ALA 6 2HB ALA 6 6.723 3.806 -3.157 51 3HB ALA 6 1HB ALA 6 6.080 2.267 -3.729 52 HA PRO 7 HA PRO 7 5.817 3.631 1.462 53 1HB PRO 7 2HB PRO 7 7.603 1.591 1.919 54 2HB PRO 7 1HB PRO 7 5.845 1.391 2.008 55 1HG PRO 7 2HG PRO 7 7.730 0.483 -0.116 56 2HG PRO 7 1HG PRO 7 6.159 -0.188 0.351 57 1HD PRO 7 2HD PRO 7 6.655 1.462 -1.895 58 2HD PRO 7 1HD PRO 7 5.057 1.058 -1.227 59 H THR 8 H THR 8 8.085 3.851 2.658 60 HA THR 8 HA THR 8 9.737 5.577 0.991 61 HB THR 8 HB THR 8 10.959 4.847 3.519 62 HG1 THR 8 HG1 THR 8 9.313 5.029 4.828 63 1HG2 THR 8 1HG2 THR 8 11.055 6.992 2.034 64 2HG2 THR 8 3HG2 THR 8 9.578 7.441 2.887 65 3HG2 THR 8 2HG2 THR 8 11.069 7.171 3.789 66 H PHE 9 H PHE 9 12.264 5.201 1.270 67 HA PHE 9 HA PHE 9 12.895 2.305 0.973 68 1HB PHE 9 2HB PHE 9 13.613 4.501 -0.993 69 2HB PHE 9 1HB PHE 9 14.330 2.887 -1.011 70 HD1 PHE 9 HD2 PHE 9 12.075 1.147 -0.345 71 HD2 PHE 9 HD1 PHE 9 12.202 4.621 -2.871 72 HE1 PHE 9 HE2 PHE 9 10.124 0.292 -1.618 73 HE2 PHE 9 HE1 PHE 9 10.252 3.767 -4.144 74 HZ PHE 9 HZ PHE 9 9.214 1.602 -3.519 75 HA PRO 10 HA PRO 10 15.953 4.645 3.539 76 1HB PRO 10 2HB PRO 10 15.662 3.071 5.774 77 2HB PRO 10 1HB PRO 10 14.692 4.522 5.465 78 1HG PRO 10 2HG PRO 10 13.902 1.654 5.243 79 2HG PRO 10 1HG PRO 10 12.894 3.074 5.564 80 1HD PRO 10 2HD PRO 10 13.127 1.735 3.081 81 2HD PRO 10 1HD PRO 10 12.395 3.335 3.342 82 H GLU 11 H GLU 11 15.623 1.658 2.113 83 HA GLU 11 HA GLU 11 17.998 0.396 3.304 84 1HB GLU 11 2HB GLU 11 16.397 -0.428 0.862 85 2HB GLU 11 1HB GLU 11 17.559 -1.423 1.739 86 1HG GLU 11 2HG GLU 11 14.972 -0.309 2.866 87 2HG GLU 11 1HG GLU 11 15.268 -1.991 2.422 88 H SER 12 H SER 12 18.678 2.884 2.294 89 HA SER 12 HA SER 12 19.971 4.000 0.666 90 1HB SER 12 2HB SER 12 21.731 2.947 1.815 91 2HB SER 12 1HB SER 12 21.284 1.349 1.215 92 HG SER 12 HG SER 12 22.575 1.715 -0.393 93 H ILE 13 H ILE 13 17.691 2.744 -0.530 94 HA ILE 13 HA ILE 13 18.772 1.535 -3.022 95 HB ILE 13 HB ILE 13 15.854 1.919 -2.338 96 1HG1 ILE 13 2HG1 ILE 13 16.998 0.763 -0.451 97 2HG1 ILE 13 1HG1 ILE 13 15.890 -0.308 -1.310 98 1HG2 ILE 13 1HG2 ILE 13 16.696 1.225 -4.661 99 2HG2 ILE 13 3HG2 ILE 13 17.212 -0.282 -3.904 100 3HG2 ILE 13 2HG2 ILE 13 15.505 0.163 -3.909 101 1HD1 ILE 13 2HD1 ILE 13 18.821 -0.155 -2.021 102 2HD1 ILE 13 1HD1 ILE 13 18.224 -1.249 -0.773 103 3HD1 ILE 13 3HD1 ILE 13 17.661 -1.418 -2.436 104 H ALA 14 H ALA 14 18.071 2.417 -5.102 105 HA ALA 14 HA ALA 14 17.808 5.366 -4.985 106 1HB ALA 14 3HB ALA 14 19.391 3.809 -6.535 107 2HB ALA 14 2HB ALA 14 17.997 3.978 -7.603 108 3HB ALA 14 1HB ALA 14 18.845 5.414 -7.026 109 H ASP 15 H ASP 15 15.741 2.778 -5.097 110 HA ASP 15 HA ASP 15 13.380 4.163 -5.482 111 1HB ASP 15 2HB ASP 15 12.935 3.438 -7.969 112 2HB ASP 15 1HB ASP 15 13.831 4.923 -7.648 113 H GLY 16 H GLY 16 11.734 2.486 -6.879 114 1HA GLY 16 2HA GLY 16 12.395 -0.265 -5.944 115 2HA GLY 16 1HA GLY 16 10.861 0.464 -5.469 116 H THR 17 H THR 17 10.103 -1.560 -6.703 117 HA THR 17 HA THR 17 9.419 -0.714 -9.450 118 HB THR 17 HB THR 17 10.772 -3.361 -8.843 119 HG1 THR 17 HG1 THR 17 11.543 -0.959 -10.061 120 1HG2 THR 17 1HG2 THR 17 8.816 -3.164 -10.602 121 2HG2 THR 17 3HG2 THR 17 10.056 -2.388 -11.588 122 3HG2 THR 17 2HG2 THR 17 10.292 -4.039 -11.014 123 H VAL 18 H VAL 18 7.262 -1.046 -9.658 124 HA VAL 18 HA VAL 18 5.608 -2.250 -7.742 125 HB VAL 18 HB VAL 18 5.064 -2.194 -10.725 126 1HG1 VAL 18 2HG1 VAL 18 3.355 -2.374 -8.242 127 2HG1 VAL 18 1HG1 VAL 18 2.696 -1.807 -9.776 128 3HG1 VAL 18 3HG1 VAL 18 3.356 -3.437 -9.648 129 1HG2 VAL 18 1HG2 VAL 18 4.799 -0.056 -8.594 130 2HG2 VAL 18 3HG2 VAL 18 5.747 0.024 -10.079 131 3HG2 VAL 18 2HG2 VAL 18 3.985 0.033 -10.155 132 H ALA 19 H ALA 19 4.237 -4.293 -8.152 133 HA ALA 19 HA ALA 19 6.061 -6.467 -9.097 134 1HB ALA 19 1HB ALA 19 5.015 -6.177 -6.598 135 2HB ALA 19 3HB ALA 19 3.773 -7.173 -7.356 136 3HB ALA 19 2HB ALA 19 5.443 -7.735 -7.303 137 H THR 20 H THR 20 2.542 -6.315 -8.479 138 HA THR 20 HA THR 20 1.934 -6.645 -11.323 139 HB THR 20 HB THR 20 1.615 -8.938 -9.371 140 HG1 THR 20 HG1 THR 20 2.818 -8.622 -11.917 141 1HG2 THR 20 2HG2 THR 20 -0.496 -8.494 -10.657 142 2HG2 THR 20 1HG2 THR 20 0.425 -8.702 -12.147 143 3HG2 THR 20 3HG2 THR 20 0.241 -10.052 -11.026 144 H TRP 21 H TRP 21 -0.148 -5.932 -11.719 145 HA TRP 21 HA TRP 21 -1.691 -4.981 -9.401 146 1HB TRP 21 2HB TRP 21 -1.633 -4.477 -12.341 147 2HB TRP 21 1HB TRP 21 -3.159 -4.222 -11.501 148 HD1 TRP 21 HD1 TRP 21 0.309 -2.801 -11.911 149 HE1 TRP 21 HE1 TRP 21 0.483 -0.577 -10.605 150 HE3 TRP 21 HE3 TRP 21 -4.094 -2.927 -9.316 151 HZ2 TRP 21 HZ2 TRP 21 -1.011 0.927 -8.742 152 HZ3 TRP 21 HZ3 TRP 21 -4.693 -1.076 -7.776 153 HH2 TRP 21 HH2 TRP 21 -3.157 0.853 -7.484 154 H HIS 22 H HIS 22 -2.351 -7.120 -8.644 155 HA HIS 22 HA HIS 22 -3.591 -9.175 -10.034 156 1HB HIS 22 2HB HIS 22 -5.000 -8.245 -7.555 157 2HB HIS 22 1HB HIS 22 -4.547 -9.882 -8.037 158 HD1 HIS 22 HD1 HIS 22 -3.095 -6.713 -6.607 159 HD2 HIS 22 HD2 HIS 22 -1.962 -10.676 -7.221 160 HE1 HIS 22 HE1 HIS 22 -0.855 -6.994 -5.493 161 H LYS 23 H LYS 23 -5.609 -6.669 -8.461 162 HA LYS 23 HA LYS 23 -7.624 -7.098 -10.603 163 1HB LYS 23 2HB LYS 23 -7.810 -5.610 -7.966 164 2HB LYS 23 1HB LYS 23 -9.143 -5.842 -9.098 165 1HG LYS 23 2HG LYS 23 -8.103 -8.407 -8.740 166 2HG LYS 23 1HG LYS 23 -8.054 -7.694 -7.128 167 1HD LYS 23 2HD LYS 23 -10.242 -8.294 -7.019 168 2HD LYS 23 1HD LYS 23 -10.514 -6.868 -8.023 169 1HE LYS 23 2HE LYS 23 -9.694 -9.023 -9.721 170 2HE LYS 23 1HE LYS 23 -11.006 -9.595 -8.691 171 1HZ LYS 23 2HZ LYS 23 -11.353 -6.941 -9.806 172 2HZ LYS 23 1HZ LYS 23 -11.382 -8.210 -10.934 173 3HZ LYS 23 3HZ LYS 23 -12.474 -8.207 -9.637 174 H LYS 24 H LYS 24 -8.919 -4.728 -10.735 175 HA LYS 24 HA LYS 24 -6.815 -2.727 -11.458 176 1HB LYS 24 2HB LYS 24 -8.773 -4.050 -13.165 177 2HB LYS 24 1HB LYS 24 -8.948 -2.296 -13.210 178 1HG LYS 24 2HG LYS 24 -6.298 -2.381 -13.401 179 2HG LYS 24 1HG LYS 24 -6.629 -3.990 -14.044 180 1HD LYS 24 2HD LYS 24 -7.990 -3.113 -15.802 181 2HD LYS 24 1HD LYS 24 -8.042 -1.515 -15.056 182 1HE LYS 24 2HE LYS 24 -5.331 -1.957 -15.312 183 2HE LYS 24 1HE LYS 24 -5.977 -2.711 -16.770 184 1HZ LYS 24 3HZ LYS 24 -7.272 -0.618 -17.107 185 2HZ LYS 24 2HZ LYS 24 -6.367 0.080 -15.850 186 3HZ LYS 24 1HZ LYS 24 -5.593 -0.447 -17.268 187 HA PRO 25 HA PRO 25 -9.312 0.272 -9.460 188 1HB PRO 25 2HB PRO 25 -9.144 2.415 -11.177 189 2HB PRO 25 1HB PRO 25 -7.812 1.887 -10.134 190 1HG PRO 25 2HG PRO 25 -8.159 1.509 -13.078 191 2HG PRO 25 1HG PRO 25 -6.667 1.637 -12.132 192 1HD PRO 25 2HD PRO 25 -7.770 -0.764 -13.106 193 2HD PRO 25 1HD PRO 25 -6.541 -0.637 -11.830 194 H GLY 26 H GLY 26 -11.516 0.493 -9.307 195 1HA GLY 26 2HA GLY 26 -13.557 1.457 -10.447 196 2HA GLY 26 1HA GLY 26 -13.093 0.488 -11.852 197 H GLU 27 H GLU 27 -12.220 -1.540 -9.573 198 HA GLU 27 HA GLU 27 -14.846 -2.923 -9.578 199 1HB GLU 27 2HB GLU 27 -12.041 -3.855 -8.905 200 2HB GLU 27 1HB GLU 27 -13.474 -4.872 -8.745 201 1HG GLU 27 2HG GLU 27 -13.084 -3.470 -11.348 202 2HG GLU 27 1HG GLU 27 -12.016 -4.829 -10.995 203 H ALA 28 H ALA 28 -15.421 -4.095 -7.490 204 HA ALA 28 HA ALA 28 -15.297 -2.176 -5.280 205 1HB ALA 28 3HB ALA 28 -17.203 -3.937 -6.072 206 2HB ALA 28 2HB ALA 28 -16.412 -4.888 -4.815 207 3HB ALA 28 1HB ALA 28 -17.094 -3.310 -4.428 208 H VAL 29 H VAL 29 -13.963 -2.322 -3.515 209 HA VAL 29 HA VAL 29 -12.491 -4.879 -3.079 210 HB VAL 29 HB VAL 29 -10.402 -3.638 -2.723 211 1HG1 VAL 29 1HG1 VAL 29 -11.443 -4.294 -5.108 212 2HG1 VAL 29 3HG1 VAL 29 -11.332 -2.550 -5.339 213 3HG1 VAL 29 2HG1 VAL 29 -9.884 -3.484 -4.961 214 1HG2 VAL 29 3HG2 VAL 29 -12.216 -1.417 -2.603 215 2HG2 VAL 29 2HG2 VAL 29 -10.486 -1.435 -2.261 216 3HG2 VAL 29 1HG2 VAL 29 -11.058 -1.125 -3.900 217 H LYS 30 H LYS 30 -12.333 -5.418 -0.928 218 HA LYS 30 HA LYS 30 -13.246 -3.354 1.039 219 1HB LYS 30 2HB LYS 30 -14.163 -5.183 2.377 220 2HB LYS 30 1HB LYS 30 -14.822 -5.270 0.743 221 1HG LYS 30 2HG LYS 30 -13.269 -7.022 0.139 222 2HG LYS 30 1HG LYS 30 -12.403 -6.846 1.665 223 1HD LYS 30 2HD LYS 30 -14.004 -7.969 2.863 224 2HD LYS 30 1HD LYS 30 -15.324 -7.376 1.854 225 1HE LYS 30 2HE LYS 30 -15.270 -9.589 1.174 226 2HE LYS 30 1HE LYS 30 -14.141 -8.887 0.016 227 1HZ LYS 30 2HZ LYS 30 -12.579 -9.419 2.163 228 2HZ LYS 30 1HZ LYS 30 -13.652 -10.736 2.157 229 3HZ LYS 30 3HZ LYS 30 -12.717 -10.400 0.782 230 H ARG 31 H ARG 31 -12.067 -3.202 2.990 231 HA ARG 31 HA ARG 31 -9.332 -3.497 3.000 232 1HB ARG 31 2HB ARG 31 -10.774 -2.408 4.791 233 2HB ARG 31 1HB ARG 31 -10.999 -4.020 5.471 234 1HG ARG 31 2HG ARG 31 -8.531 -4.263 5.651 235 2HG ARG 31 1HG ARG 31 -8.344 -2.614 5.052 236 1HD ARG 31 2HD ARG 31 -8.800 -1.742 7.081 237 2HD ARG 31 1HD ARG 31 -10.251 -2.731 7.246 238 HE ARG 31 HE ARG 31 -8.225 -4.529 7.733 239 1HH1 ARG 31 1HH2 ARG 31 -9.430 -1.593 9.045 240 2HH1 ARG 31 2HH2 ARG 31 -8.578 -1.751 10.544 241 1HH2 ARG 31 2HH1 ARG 31 -6.939 -4.660 9.614 242 2HH2 ARG 31 1HH1 ARG 31 -7.168 -3.487 10.867 243 H ASP 32 H ASP 32 -7.880 -5.104 3.949 244 HA ASP 32 HA ASP 32 -7.172 -7.298 4.430 245 1HB ASP 32 2HB ASP 32 -9.376 -7.291 5.794 246 2HB ASP 32 1HB ASP 32 -10.059 -8.170 4.426 247 H GLU 33 H GLU 33 -7.764 -6.222 1.714 248 HA GLU 33 HA GLU 33 -7.887 -8.855 0.325 249 1HB GLU 33 2HB GLU 33 -10.097 -7.480 0.250 250 2HB GLU 33 1HB GLU 33 -9.218 -6.424 -0.859 251 1HG GLU 33 2HG GLU 33 -8.649 -8.486 -2.215 252 2HG GLU 33 1HG GLU 33 -9.774 -9.382 -1.194 253 H LEU 34 H LEU 34 -5.886 -9.003 -0.577 254 HA LEU 34 HA LEU 34 -3.996 -7.052 -1.014 255 1HB LEU 34 2HB LEU 34 -3.624 -9.473 -1.424 256 2HB LEU 34 1HB LEU 34 -4.568 -9.349 -2.908 257 HG LEU 34 HG LEU 34 -2.954 -7.575 -3.692 258 1HD1 LEU 34 3HD1 LEU 34 -1.680 -8.360 -1.083 259 2HD1 LEU 34 2HD1 LEU 34 -0.670 -7.821 -2.425 260 3HD1 LEU 34 1HD1 LEU 34 -1.908 -6.751 -1.767 261 1HD2 LEU 34 2HD2 LEU 34 -2.100 -10.408 -3.111 262 2HD2 LEU 34 1HD2 LEU 34 -2.599 -9.701 -4.647 263 3HD2 LEU 34 3HD2 LEU 34 -1.022 -9.302 -3.964 264 H ILE 35 H ILE 35 -3.399 -5.740 -2.857 265 HA ILE 35 HA ILE 35 -5.536 -5.336 -4.891 266 HB ILE 35 HB ILE 35 -4.189 -3.016 -3.496 267 1HG1 ILE 35 2HG1 ILE 35 -5.566 -4.463 -1.921 268 2HG1 ILE 35 1HG1 ILE 35 -6.120 -2.795 -2.078 269 1HG2 ILE 35 2HG2 ILE 35 -6.453 -3.390 -5.444 270 2HG2 ILE 35 1HG2 ILE 35 -6.407 -1.968 -4.402 271 3HG2 ILE 35 3HG2 ILE 35 -5.089 -2.277 -5.533 272 1HD1 ILE 35 2HD1 ILE 35 -7.238 -4.897 -3.909 273 2HD1 ILE 35 1HD1 ILE 35 -7.857 -4.762 -2.262 274 3HD1 ILE 35 3HD1 ILE 35 -7.974 -3.389 -3.363 275 H VAL 36 H VAL 36 -2.201 -4.703 -3.856 276 HA VAL 36 HA VAL 36 -1.264 -5.126 -6.593 277 HB VAL 36 HB VAL 36 -1.967 -2.710 -6.569 278 1HG1 VAL 36 3HG1 VAL 36 0.262 -2.507 -4.520 279 2HG1 VAL 36 2HG1 VAL 36 -0.583 -1.142 -5.250 280 3HG1 VAL 36 1HG1 VAL 36 -1.455 -2.258 -4.200 281 1HG2 VAL 36 1HG2 VAL 36 0.415 -3.890 -7.499 282 2HG2 VAL 36 3HG2 VAL 36 -0.316 -2.391 -8.073 283 3HG2 VAL 36 2HG2 VAL 36 0.901 -2.346 -6.798 284 H ASP 37 H ASP 37 0.737 -6.054 -6.476 285 HA ASP 37 HA ASP 37 2.048 -6.151 -3.824 286 1HB ASP 37 2HB ASP 37 2.208 -7.747 -6.350 287 2HB ASP 37 1HB ASP 37 3.613 -7.734 -5.282 288 H ILE 38 H ILE 38 4.366 -5.701 -3.638 289 HA ILE 38 HA ILE 38 5.379 -3.849 -5.757 290 HB ILE 38 HB ILE 38 4.567 -2.641 -3.699 291 1HG1 ILE 38 2HG1 ILE 38 7.576 -2.513 -4.064 292 2HG1 ILE 38 1HG1 ILE 38 6.428 -1.815 -5.207 293 1HG2 ILE 38 1HG2 ILE 38 6.140 -4.719 -2.455 294 2HG2 ILE 38 3HG2 ILE 38 6.758 -3.136 -1.981 295 3HG2 ILE 38 2HG2 ILE 38 5.065 -3.543 -1.698 296 1HD1 ILE 38 3HD1 ILE 38 6.512 -1.125 -2.257 297 2HD1 ILE 38 2HD1 ILE 38 7.284 -0.164 -3.519 298 3HD1 ILE 38 1HD1 ILE 38 5.530 -0.346 -3.498 299 H GLU 39 H GLU 39 7.795 -3.654 -5.704 300 HA GLU 39 HA GLU 39 9.207 -5.863 -4.334 301 1HB GLU 39 2HB GLU 39 8.372 -6.694 -6.598 302 2HB GLU 39 1HB GLU 39 9.461 -5.516 -7.330 303 1HG GLU 39 2HG GLU 39 11.017 -6.831 -5.401 304 2HG GLU 39 1HG GLU 39 10.079 -8.108 -6.177 305 H THR 40 H THR 40 10.783 -4.701 -3.328 306 HA THR 40 HA THR 40 11.862 -2.256 -4.524 307 HB THR 40 HB THR 40 13.428 -3.222 -2.303 308 HG1 THR 40 HG1 THR 40 11.834 -3.550 -0.830 309 1HG2 THR 40 2HG2 THR 40 12.560 -0.839 -3.242 310 2HG2 THR 40 1HG2 THR 40 11.395 -1.091 -1.943 311 3HG2 THR 40 3HG2 THR 40 13.122 -1.072 -1.587 312 H ASP 41 H ASP 41 14.583 -2.514 -3.740 313 HA ASP 41 HA ASP 41 15.865 -3.433 -5.995 314 1HB ASP 41 2HB ASP 41 16.912 -2.276 -3.984 315 2HB ASP 41 1HB ASP 41 17.008 -3.868 -3.227 316 H LYS 42 H LYS 42 15.833 -5.425 -3.016 317 HA LYS 42 HA LYS 42 15.434 -7.815 -4.762 318 1HB LYS 42 2HB LYS 42 17.412 -7.528 -2.479 319 2HB LYS 42 1HB LYS 42 17.041 -9.046 -3.297 320 1HG LYS 42 2HG LYS 42 17.741 -8.001 -5.458 321 2HG LYS 42 1HG LYS 42 18.225 -6.559 -4.565 322 1HD LYS 42 2HD LYS 42 20.047 -7.597 -3.600 323 2HD LYS 42 1HD LYS 42 19.288 -9.190 -3.630 324 1HE LYS 42 2HE LYS 42 19.724 -9.468 -5.955 325 2HE LYS 42 1HE LYS 42 20.123 -7.763 -6.160 326 1HZ LYS 42 3HZ LYS 42 21.764 -8.894 -4.166 327 2HZ LYS 42 2HZ LYS 42 21.855 -9.848 -5.569 328 3HZ LYS 42 1HZ LYS 42 22.217 -8.188 -5.641 329 H VAL 43 H VAL 43 13.709 -6.147 -2.877 330 HA VAL 43 HA VAL 43 12.928 -8.379 -1.042 331 HB VAL 43 HB VAL 43 12.109 -5.531 -0.559 332 1HG1 VAL 43 1HG1 VAL 43 12.785 -7.877 1.243 333 2HG1 VAL 43 3HG1 VAL 43 12.187 -6.310 1.785 334 3HG1 VAL 43 2HG1 VAL 43 11.158 -7.354 0.805 335 1HG2 VAL 43 3HG2 VAL 43 14.583 -5.542 -0.966 336 2HG2 VAL 43 2HG2 VAL 43 14.159 -5.122 0.694 337 3HG2 VAL 43 1HG2 VAL 43 14.750 -6.741 0.317 338 H VAL 44 H VAL 44 10.549 -8.487 -0.624 339 HA VAL 44 HA VAL 44 8.913 -7.309 -2.819 340 HB VAL 44 HB VAL 44 8.630 -10.192 -1.947 341 1HG1 VAL 44 2HG1 VAL 44 7.057 -8.424 -3.499 342 2HG1 VAL 44 1HG1 VAL 44 7.816 -9.537 -4.637 343 3HG1 VAL 44 3HG1 VAL 44 6.839 -10.164 -3.311 344 1HG2 VAL 44 1HG2 VAL 44 10.612 -8.948 -3.710 345 2HG2 VAL 44 3HG2 VAL 44 10.559 -10.590 -3.069 346 3HG2 VAL 44 2HG2 VAL 44 9.658 -10.185 -4.531 347 H MET 45 H MET 45 7.108 -6.376 -1.983 348 HA MET 45 HA MET 45 6.137 -7.364 0.670 349 1HB MET 45 2HB MET 45 6.632 -4.586 -0.335 350 2HB MET 45 1HB MET 45 5.291 -4.849 0.780 351 1HG MET 45 2HG MET 45 7.273 -6.289 1.993 352 2HG MET 45 1HG MET 45 8.200 -4.973 1.272 353 1HE MET 45 1HE MET 45 8.816 -4.709 3.800 354 2HE MET 45 3HE MET 45 7.750 -4.044 5.046 355 3HE MET 45 2HE MET 45 7.555 -5.711 4.512 356 H GLU 46 H GLU 46 3.775 -6.036 0.868 357 HA GLU 46 HA GLU 46 2.313 -6.536 -1.679 358 1HB GLU 46 2HB GLU 46 0.497 -7.637 -0.270 359 2HB GLU 46 1HB GLU 46 1.973 -8.581 -0.474 360 1HG GLU 46 2HG GLU 46 2.243 -6.836 1.807 361 2HG GLU 46 1HG GLU 46 0.771 -7.793 1.961 362 H VAL 47 H VAL 47 0.319 -5.339 -1.829 363 HA VAL 47 HA VAL 47 0.047 -3.194 0.239 364 HB VAL 47 HB VAL 47 -0.509 -2.936 -2.731 365 1HG1 VAL 47 2HG1 VAL 47 -1.776 -1.485 -1.045 366 2HG1 VAL 47 1HG1 VAL 47 -0.216 -0.765 -0.646 367 3HG1 VAL 47 3HG1 VAL 47 -0.861 -0.620 -2.281 368 1HG2 VAL 47 3HG2 VAL 47 1.924 -2.456 -1.063 369 2HG2 VAL 47 2HG2 VAL 47 1.803 -2.977 -2.743 370 3HG2 VAL 47 1HG2 VAL 47 1.556 -1.281 -2.326 371 H LEU 48 H LEU 48 -1.800 -3.650 1.348 372 HA LEU 48 HA LEU 48 -4.093 -4.833 -0.140 373 1HB LEU 48 2HB LEU 48 -3.007 -5.201 2.501 374 2HB LEU 48 1HB LEU 48 -4.675 -4.642 2.630 375 HG LEU 48 HG LEU 48 -4.940 -6.460 0.635 376 1HD1 LEU 48 1HD1 LEU 48 -2.613 -7.308 2.364 377 2HD1 LEU 48 3HD1 LEU 48 -3.629 -8.490 1.539 378 3HD1 LEU 48 2HD1 LEU 48 -2.722 -7.302 0.603 379 1HD2 LEU 48 1HD2 LEU 48 -6.223 -6.269 2.787 380 2HD2 LEU 48 3HD2 LEU 48 -5.878 -7.936 2.327 381 3HD2 LEU 48 2HD2 LEU 48 -4.926 -7.155 3.589 382 H ALA 49 H ALA 49 -6.291 -3.965 0.520 383 HA ALA 49 HA ALA 49 -6.286 -1.065 0.253 384 1HB ALA 49 1HB ALA 49 -8.402 -3.194 0.437 385 2HB ALA 49 3HB ALA 49 -8.849 -1.498 0.624 386 3HB ALA 49 2HB ALA 49 -8.087 -2.050 -0.868 387 H GLU 50 H GLU 50 -6.916 0.452 1.828 388 HA GLU 50 HA GLU 50 -6.945 -0.602 4.623 389 1HB GLU 50 2HB GLU 50 -5.531 1.558 3.364 390 2HB GLU 50 1HB GLU 50 -6.604 2.222 4.597 391 1HG GLU 50 2HG GLU 50 -5.364 -0.166 5.614 392 2HG GLU 50 1HG GLU 50 -4.116 0.917 4.995 393 H ALA 51 H ALA 51 -9.115 0.199 2.376 394 HA ALA 51 HA ALA 51 -11.220 0.723 4.248 395 1HB ALA 51 2HB ALA 51 -10.122 3.094 2.719 396 2HB ALA 51 1HB ALA 51 -11.748 3.066 3.400 397 3HB ALA 51 3HB ALA 51 -10.345 2.946 4.462 398 H ASP 52 H ASP 52 -12.934 -0.206 3.245 399 HA ASP 52 HA ASP 52 -12.960 -1.014 0.541 400 1HB ASP 52 2HB ASP 52 -14.550 -2.148 1.754 401 2HB ASP 52 1HB ASP 52 -15.018 -0.732 2.688 402 H GLY 53 H GLY 53 -14.688 -0.225 -1.069 403 1HA GLY 53 2HA GLY 53 -16.000 2.035 -1.449 404 2HA GLY 53 1HA GLY 53 -14.381 2.728 -1.310 405 H VAL 54 H VAL 54 -14.028 3.385 -3.421 406 HA VAL 54 HA VAL 54 -13.847 1.201 -5.436 407 HB VAL 54 HB VAL 54 -15.286 3.845 -5.766 408 1HG1 VAL 54 2HG1 VAL 54 -13.714 2.347 -7.692 409 2HG1 VAL 54 1HG1 VAL 54 -15.412 2.390 -8.169 410 3HG1 VAL 54 3HG1 VAL 54 -14.536 3.895 -7.892 411 1HG2 VAL 54 3HG2 VAL 54 -16.022 1.004 -5.532 412 2HG2 VAL 54 2HG2 VAL 54 -17.005 2.444 -5.268 413 3HG2 VAL 54 1HG2 VAL 54 -16.776 1.821 -6.902 414 H ILE 55 H ILE 55 -11.837 1.237 -6.301 415 HA ILE 55 HA ILE 55 -9.943 3.310 -5.717 416 HB ILE 55 HB ILE 55 -9.803 1.258 -7.945 417 1HG1 ILE 55 2HG1 ILE 55 -10.340 0.364 -5.607 418 2HG1 ILE 55 1HG1 ILE 55 -8.880 -0.275 -6.361 419 1HG2 ILE 55 1HG2 ILE 55 -7.743 2.879 -6.430 420 2HG2 ILE 55 3HG2 ILE 55 -7.326 1.475 -7.412 421 3HG2 ILE 55 2HG2 ILE 55 -8.058 2.892 -8.164 422 1HD1 ILE 55 3HD1 ILE 55 -8.842 2.110 -4.499 423 2HD1 ILE 55 2HD1 ILE 55 -8.633 0.453 -3.929 424 3HD1 ILE 55 1HD1 ILE 55 -7.470 1.151 -5.054 425 H ALA 56 H ALA 56 -8.765 4.532 -7.516 426 HA ALA 56 HA ALA 56 -10.813 5.725 -9.320 427 1HB ALA 56 1HB ALA 56 -9.289 7.062 -7.633 428 2HB ALA 56 3HB ALA 56 -8.077 6.892 -8.903 429 3HB ALA 56 2HB ALA 56 -9.600 7.715 -9.242 430 H GLU 57 H GLU 57 -7.276 5.164 -9.509 431 HA GLU 57 HA GLU 57 -7.476 3.507 -11.858 432 1HB GLU 57 2HB GLU 57 -7.617 6.347 -12.280 433 2HB GLU 57 1HB GLU 57 -6.094 5.745 -12.935 434 1HG GLU 57 2HG GLU 57 -7.518 3.866 -13.998 435 2HG GLU 57 1HG GLU 57 -8.902 4.901 -13.645 436 H ILE 58 H ILE 58 -5.307 2.943 -12.681 437 HA ILE 58 HA ILE 58 -3.294 3.151 -10.529 438 HB ILE 58 HB ILE 58 -3.221 1.605 -13.139 439 1HG1 ILE 58 2HG1 ILE 58 -3.756 0.570 -10.340 440 2HG1 ILE 58 1HG1 ILE 58 -5.047 0.987 -11.472 441 1HG2 ILE 58 3HG2 ILE 58 -1.474 1.601 -10.666 442 2HG2 ILE 58 2HG2 ILE 58 -1.453 0.303 -11.859 443 3HG2 ILE 58 1HG2 ILE 58 -0.985 1.938 -12.326 444 1HD1 ILE 58 1HD1 ILE 58 -2.849 -0.846 -12.376 445 2HD1 ILE 58 3HD1 ILE 58 -4.143 -1.489 -11.363 446 3HD1 ILE 58 2HD1 ILE 58 -4.524 -0.758 -12.922 447 H VAL 59 H VAL 59 -1.547 4.495 -10.656 448 HA VAL 59 HA VAL 59 -1.270 6.178 -13.068 449 HB VAL 59 HB VAL 59 0.010 6.255 -10.325 450 1HG1 VAL 59 3HG1 VAL 59 0.710 7.649 -12.870 451 2HG1 VAL 59 2HG1 VAL 59 0.741 8.601 -11.386 452 3HG1 VAL 59 1HG1 VAL 59 1.753 7.163 -11.533 453 1HG2 VAL 59 2HG2 VAL 59 -2.402 7.277 -11.413 454 2HG2 VAL 59 1HG2 VAL 59 -1.708 7.628 -9.831 455 3HG2 VAL 59 3HG2 VAL 59 -1.319 8.654 -11.212 456 H LYS 60 H LYS 60 0.570 3.763 -11.237 457 HA LYS 60 HA LYS 60 2.590 3.771 -13.443 458 1HB LYS 60 2HB LYS 60 2.992 4.019 -10.698 459 2HB LYS 60 1HB LYS 60 3.356 2.324 -11.024 460 1HG LYS 60 2HG LYS 60 5.370 2.986 -11.784 461 2HG LYS 60 1HG LYS 60 4.535 3.741 -13.141 462 1HD LYS 60 2HD LYS 60 4.142 5.611 -11.191 463 2HD LYS 60 1HD LYS 60 5.726 4.981 -10.738 464 1HE LYS 60 2HE LYS 60 6.522 5.358 -13.057 465 2HE LYS 60 1HE LYS 60 4.948 6.036 -13.473 466 1HZ LYS 60 3HZ LYS 60 6.361 7.135 -11.158 467 2HZ LYS 60 2HZ LYS 60 6.919 7.556 -12.706 468 3HZ LYS 60 1HZ LYS 60 5.319 7.903 -12.253 469 H ASN 61 H ASN 61 2.924 1.855 -14.543 470 HA ASN 61 HA ASN 61 0.965 -0.280 -14.132 471 1HB ASN 61 2HB ASN 61 3.329 -0.154 -16.032 472 2HB ASN 61 1HB ASN 61 1.989 -1.298 -16.112 473 1HD2 ASN 61 2HD2 ASN 61 -0.136 1.893 -16.641 474 2HD2 ASN 61 1HD2 ASN 61 0.118 0.997 -15.211 475 H GLU 62 H GLU 62 1.578 -2.527 -13.740 476 HA GLU 62 HA GLU 62 3.536 -2.790 -11.630 477 1HB GLU 62 2HB GLU 62 3.051 -5.296 -11.994 478 2HB GLU 62 1HB GLU 62 1.692 -4.280 -11.512 479 1HG GLU 62 2HG GLU 62 0.587 -4.780 -13.406 480 2HG GLU 62 1HG GLU 62 1.958 -4.244 -14.384 481 H GLY 63 H GLY 63 5.606 -3.697 -11.722 482 1HA GLY 63 2HA GLY 63 7.435 -4.845 -12.790 483 2HA GLY 63 1HA GLY 63 6.594 -4.690 -14.336 484 H ASP 64 H ASP 64 6.097 -1.746 -13.383 485 HA ASP 64 HA ASP 64 8.482 -0.699 -14.740 486 1HB ASP 64 2HB ASP 64 6.667 0.511 -15.467 487 2HB ASP 64 1HB ASP 64 5.809 0.370 -13.934 488 H THR 65 H THR 65 9.485 1.337 -13.717 489 HA THR 65 HA THR 65 10.211 0.644 -10.919 490 HB THR 65 HB THR 65 11.485 2.568 -12.890 491 HG1 THR 65 HG1 THR 65 12.909 0.973 -13.225 492 1HG2 THR 65 3HG2 THR 65 11.767 3.197 -10.484 493 2HG2 THR 65 2HG2 THR 65 12.486 1.612 -10.195 494 3HG2 THR 65 1HG2 THR 65 13.285 2.759 -11.269 495 H VAL 66 H VAL 66 9.622 1.939 -9.220 496 HA VAL 66 HA VAL 66 8.259 4.516 -9.897 497 HB VAL 66 HB VAL 66 6.827 4.187 -7.987 498 1HG1 VAL 66 1HG1 VAL 66 6.300 2.909 -10.089 499 2HG1 VAL 66 3HG1 VAL 66 7.105 1.510 -9.383 500 3HG1 VAL 66 2HG1 VAL 66 5.652 2.164 -8.628 501 1HG2 VAL 66 3HG2 VAL 66 8.871 2.104 -7.325 502 2HG2 VAL 66 2HG2 VAL 66 8.070 3.264 -6.264 503 3HG2 VAL 66 1HG2 VAL 66 7.209 1.823 -6.805 504 H LEU 67 H LEU 67 8.132 5.286 -7.085 505 HA LEU 67 HA LEU 67 10.958 5.461 -6.239 506 1HB LEU 67 2HB LEU 67 9.332 7.769 -7.268 507 2HB LEU 67 1HB LEU 67 10.528 8.043 -6.002 508 HG LEU 67 HG LEU 67 12.020 6.553 -7.675 509 1HD1 LEU 67 1HD1 LEU 67 9.729 6.886 -9.174 510 2HD1 LEU 67 3HD1 LEU 67 10.757 8.194 -9.762 511 3HD1 LEU 67 2HD1 LEU 67 11.325 6.526 -9.833 512 1HD2 LEU 67 1HD2 LEU 67 12.180 9.036 -6.768 513 2HD2 LEU 67 3HD2 LEU 67 13.148 8.533 -8.154 514 3HD2 LEU 67 2HD2 LEU 67 11.658 9.443 -8.402 515 H SER 68 H SER 68 10.976 6.945 -4.138 516 HA SER 68 HA SER 68 9.152 5.718 -2.269 517 1HB SER 68 2HB SER 68 11.106 6.290 -1.186 518 2HB SER 68 1HB SER 68 11.330 7.752 -2.142 519 HG SER 68 HG SER 68 10.686 8.050 0.115 520 H GLY 69 H GLY 69 7.013 6.259 -2.321 521 1HA GLY 69 2HA GLY 69 5.243 7.779 -1.713 522 2HA GLY 69 1HA GLY 69 6.318 9.131 -2.070 523 H GLU 70 H GLU 70 6.205 6.536 -4.358 524 HA GLU 70 HA GLU 70 5.260 8.328 -6.438 525 1HB GLU 70 2HB GLU 70 6.822 6.625 -7.085 526 2HB GLU 70 1HB GLU 70 5.825 5.354 -6.375 527 1HG GLU 70 2HG GLU 70 5.656 5.560 -8.900 528 2HG GLU 70 1HG GLU 70 4.118 5.647 -8.040 529 H LEU 71 H LEU 71 3.151 8.792 -6.808 530 HA LEU 71 HA LEU 71 1.000 7.484 -5.437 531 1HB LEU 71 2HB LEU 71 0.726 9.767 -6.199 532 2HB LEU 71 1HB LEU 71 1.014 9.289 -7.872 533 HG LEU 71 HG LEU 71 -1.010 7.750 -7.640 534 1HD1 LEU 71 2HD1 LEU 71 -1.024 7.818 -5.137 535 2HD1 LEU 71 1HD1 LEU 71 -1.516 9.510 -5.223 536 3HD1 LEU 71 3HD1 LEU 71 -2.580 8.250 -5.847 537 1HD2 LEU 71 3HD2 LEU 71 -0.792 10.387 -8.396 538 2HD2 LEU 71 2HD2 LEU 71 -2.242 9.405 -8.602 539 3HD2 LEU 71 1HD2 LEU 71 -2.084 10.460 -7.198 540 H LEU 72 H LEU 72 0.456 5.391 -5.846 541 HA LEU 72 HA LEU 72 0.760 4.330 -8.600 542 1HB LEU 72 2HB LEU 72 -0.144 2.788 -6.162 543 2HB LEU 72 1HB LEU 72 0.597 2.162 -7.636 544 HG LEU 72 HG LEU 72 2.068 4.131 -5.892 545 1HD1 LEU 72 3HD1 LEU 72 1.209 1.984 -4.664 546 2HD1 LEU 72 2HD1 LEU 72 2.434 1.156 -5.625 547 3HD1 LEU 72 1HD1 LEU 72 2.907 2.436 -4.508 548 1HD2 LEU 72 1HD2 LEU 72 2.608 3.067 -8.356 549 2HD2 LEU 72 3HD2 LEU 72 3.847 3.621 -7.228 550 3HD2 LEU 72 2HD2 LEU 72 3.423 1.911 -7.303 551 H GLY 73 H GLY 73 -1.626 5.702 -6.621 552 1HA GLY 73 2HA GLY 73 -3.695 5.633 -8.484 553 2HA GLY 73 1HA GLY 73 -3.903 4.157 -7.535 554 H LYS 74 H LYS 74 -5.836 6.196 -7.484 555 HA LYS 74 HA LYS 74 -5.497 7.222 -4.694 556 1HB LYS 74 2HB LYS 74 -6.480 8.584 -7.172 557 2HB LYS 74 1HB LYS 74 -7.226 9.012 -5.632 558 1HG LYS 74 2HG LYS 74 -4.659 9.107 -4.866 559 2HG LYS 74 1HG LYS 74 -4.437 9.470 -6.577 560 1HD LYS 74 2HD LYS 74 -6.253 11.230 -6.325 561 2HD LYS 74 1HD LYS 74 -6.148 10.972 -4.583 562 1HE LYS 74 2HE LYS 74 -3.604 11.371 -4.887 563 2HE LYS 74 1HE LYS 74 -4.046 12.063 -6.448 564 1HZ LYS 74 1HZ LYS 74 -5.693 13.449 -5.146 565 2HZ LYS 74 3HZ LYS 74 -4.859 12.964 -3.752 566 3HZ LYS 74 2HZ LYS 74 -4.052 13.845 -4.960 567 H LEU 75 H LEU 75 -7.323 7.020 -3.353 568 HA LEU 75 HA LEU 75 -9.353 5.101 -4.315 569 1HB LEU 75 2HB LEU 75 -8.210 4.875 -2.066 570 2HB LEU 75 1HB LEU 75 -9.082 6.320 -1.554 571 HG LEU 75 HG LEU 75 -11.200 5.045 -2.388 572 1HD1 LEU 75 2HD1 LEU 75 -9.179 3.142 -2.953 573 2HD1 LEU 75 1HD1 LEU 75 -10.095 2.506 -1.587 574 3HD1 LEU 75 3HD1 LEU 75 -10.923 2.924 -3.087 575 1HD2 LEU 75 1HD2 LEU 75 -10.565 5.585 -0.002 576 2HD2 LEU 75 3HD2 LEU 75 -11.507 4.105 -0.179 577 3HD2 LEU 75 2HD2 LEU 75 -9.764 4.016 0.078 578 H THR 76 H THR 76 -11.642 5.553 -4.136 579 HA THR 76 HA THR 76 -12.247 8.481 -4.220 580 HB THR 76 HB THR 76 -13.889 6.265 -5.468 581 HG1 THR 76 HG1 THR 76 -11.911 7.920 -6.647 582 1HG2 THR 76 3HG2 THR 76 -13.857 9.271 -5.571 583 2HG2 THR 76 2HG2 THR 76 -14.520 8.342 -6.915 584 3HG2 THR 76 1HG2 THR 76 -15.222 8.187 -5.304 585 H GLU 77 H GLU 77 -14.659 8.882 -3.608 586 HA GLU 77 HA GLU 77 -15.065 7.708 -0.951 587 1HB GLU 77 2HB GLU 77 -16.551 9.806 -2.551 588 2HB GLU 77 1HB GLU 77 -17.089 9.258 -0.963 589 1HG GLU 77 2HG GLU 77 -15.751 10.957 -0.225 590 2HG GLU 77 1HG GLU 77 -14.477 9.754 -0.429 591 H GLY 78 H GLY 78 -16.911 6.470 -0.339 592 1HA GLY 78 2HA GLY 78 -18.324 5.196 -2.649 593 2HA GLY 78 1HA GLY 78 -17.950 4.351 -1.146 594 H GLY 79 HN GLY 79 -20.440 5.755 -2.772 595 1HA GLY 79 2HA GLY 79 -22.606 6.372 -2.113 596 2HA GLY 79 1HA GLY 79 -22.234 5.653 -0.545 No H/Q in entry = 596 Start of MODEL 3 1 1H ALA 1 3H ALA 1 -10.659 6.485 2.644 2 2H ALA 1 2H ALA 1 -11.636 7.872 2.558 3 3H ALA 1 1H ALA 1 -11.761 6.668 1.367 4 HA ALA 1 HA ALA 1 -10.236 7.674 0.146 5 1HB ALA 1 3HB ALA 1 -10.160 9.536 2.532 6 2HB ALA 1 2HB ALA 1 -9.234 9.834 1.060 7 3HB ALA 1 1HB ALA 1 -10.996 9.780 0.999 8 H ILE 2 H ILE 2 -8.344 6.642 -0.249 9 HA ILE 2 HA ILE 2 -6.204 6.740 1.797 10 HB ILE 2 HB ILE 2 -5.782 4.327 1.634 11 1HG1 ILE 2 2HG1 ILE 2 -8.109 3.272 0.524 12 2HG1 ILE 2 1HG1 ILE 2 -7.692 4.597 -0.563 13 1HG2 ILE 2 3HG2 ILE 2 -8.624 5.099 2.348 14 2HG2 ILE 2 2HG2 ILE 2 -7.914 3.532 2.735 15 3HG2 ILE 2 1HG2 ILE 2 -7.240 5.003 3.436 16 1HD1 ILE 2 3HD1 ILE 2 -5.408 2.928 0.294 17 2HD1 ILE 2 2HD1 ILE 2 -6.593 2.104 -0.717 18 3HD1 ILE 2 1HD1 ILE 2 -5.800 3.566 -1.302 19 H ASP 3 H ASP 3 -4.335 7.281 0.779 20 HA ASP 3 HA ASP 3 -4.235 7.139 -2.170 21 1HB ASP 3 2HB ASP 3 -3.507 9.204 -0.985 22 2HB ASP 3 1HB ASP 3 -2.222 8.275 -0.202 23 H ILE 4 H ILE 4 -3.124 5.570 -3.244 24 HA ILE 4 HA ILE 4 -1.558 3.635 -1.621 25 HB ILE 4 HB ILE 4 -2.555 3.498 -4.485 26 1HG1 ILE 4 2HG1 ILE 4 -3.456 2.022 -1.990 27 2HG1 ILE 4 1HG1 ILE 4 -4.308 3.393 -2.701 28 1HG2 ILE 4 3HG2 ILE 4 -1.037 1.539 -2.747 29 2HG2 ILE 4 2HG2 ILE 4 -1.930 1.046 -4.186 30 3HG2 ILE 4 1HG2 ILE 4 -0.572 2.162 -4.330 31 1HD1 ILE 4 1HD1 ILE 4 -4.182 1.937 -4.900 32 2HD1 ILE 4 3HD1 ILE 4 -3.989 0.605 -3.760 33 3HD1 ILE 4 2HD1 ILE 4 -5.432 1.618 -3.698 34 H LYS 5 H LYS 5 0.205 5.305 -1.445 35 HA LYS 5 HA LYS 5 1.773 5.594 -3.964 36 1HB LYS 5 2HB LYS 5 3.044 7.320 -2.709 37 2HB LYS 5 1HB LYS 5 1.319 7.685 -2.758 38 1HG LYS 5 2HG LYS 5 1.895 6.007 -0.482 39 2HG LYS 5 1HG LYS 5 2.945 7.424 -0.460 40 1HD LYS 5 2HD LYS 5 0.939 8.870 -0.798 41 2HD LYS 5 1HD LYS 5 -0.079 7.433 -0.692 42 1HE LYS 5 2HE LYS 5 0.181 7.254 1.567 43 2HE LYS 5 1HE LYS 5 1.866 7.772 1.515 44 1HZ LYS 5 1HZ LYS 5 -0.441 9.595 1.115 45 2HZ LYS 5 3HZ LYS 5 0.344 9.377 2.602 46 3HZ LYS 5 2HZ LYS 5 1.194 10.029 1.284 47 H ALA 6 H ALA 6 4.154 5.262 -3.767 48 HA ALA 6 HA ALA 6 4.724 2.763 -2.401 49 1HB ALA 6 2HB ALA 6 5.768 3.995 -4.601 50 2HB ALA 6 1HB ALA 6 7.002 4.367 -3.397 51 3HB ALA 6 3HB ALA 6 6.575 2.689 -3.732 52 HA PRO 7 HA PRO 7 6.443 4.324 1.321 53 1HB PRO 7 2HB PRO 7 8.421 2.469 1.778 54 2HB PRO 7 1HB PRO 7 6.694 2.133 1.994 55 1HG PRO 7 2HG PRO 7 8.517 1.247 -0.193 56 2HG PRO 7 1HG PRO 7 7.040 0.482 0.415 57 1HD PRO 7 2HD PRO 7 7.258 2.022 -1.952 58 2HD PRO 7 1HD PRO 7 5.743 1.531 -1.159 59 H THR 8 H THR 8 8.788 4.744 2.350 60 HA THR 8 HA THR 8 10.270 6.318 0.321 61 HB THR 8 HB THR 8 10.898 6.245 3.269 62 HG1 THR 8 HG1 THR 8 9.247 7.574 3.665 63 1HG2 THR 8 3HG2 THR 8 11.805 7.699 0.998 64 2HG2 THR 8 2HG2 THR 8 10.920 8.827 2.025 65 3HG2 THR 8 1HG2 THR 8 12.278 7.916 2.683 66 H PHE 9 H PHE 9 11.759 5.074 -0.744 67 HA PHE 9 HA PHE 9 13.010 2.737 0.311 68 1HB PHE 9 2HB PHE 9 13.994 4.618 -1.860 69 2HB PHE 9 1HB PHE 9 14.594 2.981 -1.575 70 HD1 PHE 9 HD2 PHE 9 12.823 1.068 -1.582 71 HD2 PHE 9 HD1 PHE 9 12.157 4.958 -3.282 72 HE1 PHE 9 HE2 PHE 9 10.978 0.149 -2.962 73 HE2 PHE 9 HE1 PHE 9 10.311 4.039 -4.662 74 HZ PHE 9 HZ PHE 9 9.722 1.634 -4.503 75 HA PRO 10 HA PRO 10 16.199 4.392 2.830 76 1HB PRO 10 2HB PRO 10 18.072 2.398 2.556 77 2HB PRO 10 1HB PRO 10 16.597 2.229 3.524 78 1HG PRO 10 2HG PRO 10 17.234 1.063 0.853 79 2HG PRO 10 1HG PRO 10 16.129 0.467 2.105 80 1HD PRO 10 2HD PRO 10 15.378 1.844 -0.253 81 2HD PRO 10 1HD PRO 10 14.336 1.536 1.156 82 H GLU 11 H GLU 11 18.963 4.143 2.527 83 HA GLU 11 HA GLU 11 19.462 6.037 0.352 84 1HB GLU 11 2HB GLU 11 20.831 5.140 2.768 85 2HB GLU 11 1HB GLU 11 21.932 5.260 1.394 86 1HG GLU 11 2HG GLU 11 21.778 7.408 2.615 87 2HG GLU 11 1HG GLU 11 21.168 7.560 0.967 88 H SER 12 H SER 12 20.914 2.874 1.221 89 HA SER 12 HA SER 12 22.416 2.372 -1.028 90 1HB SER 12 2HB SER 12 22.286 0.763 0.800 91 2HB SER 12 1HB SER 12 20.597 0.421 0.415 92 HG SER 12 HG SER 12 21.294 -0.939 -1.015 93 H ILE 13 H ILE 13 18.907 2.340 -0.794 94 HA ILE 13 HA ILE 13 18.787 1.663 -3.706 95 HB ILE 13 HB ILE 13 16.530 1.455 -1.696 96 1HG1 ILE 13 2HG1 ILE 13 18.446 -0.682 -2.686 97 2HG1 ILE 13 1HG1 ILE 13 18.351 -0.060 -1.038 98 1HG2 ILE 13 1HG2 ILE 13 16.842 1.057 -4.582 99 2HG2 ILE 13 3HG2 ILE 13 16.157 -0.350 -3.769 100 3HG2 ILE 13 2HG2 ILE 13 15.369 1.221 -3.625 101 1HD1 ILE 13 1HD1 ILE 13 15.752 -0.757 -1.458 102 2HD1 ILE 13 3HD1 ILE 13 16.575 -1.969 -2.440 103 3HD1 ILE 13 2HD1 ILE 13 16.944 -1.827 -0.721 104 H ALA 14 H ALA 14 17.695 3.086 -5.070 105 HA ALA 14 HA ALA 14 16.549 5.532 -3.784 106 1HB ALA 14 2HB ALA 14 18.597 5.251 -5.933 107 2HB ALA 14 1HB ALA 14 17.405 6.537 -6.125 108 3HB ALA 14 3HB ALA 14 18.434 6.495 -4.693 109 H ASP 15 H ASP 15 15.217 3.080 -4.771 110 HA ASP 15 HA ASP 15 13.001 4.220 -6.092 111 1HB ASP 15 2HB ASP 15 13.487 2.981 -8.376 112 2HB ASP 15 1HB ASP 15 14.111 4.609 -8.101 113 H GLY 16 H GLY 16 11.942 2.186 -7.541 114 1HA GLY 16 2HA GLY 16 12.475 -0.392 -6.242 115 2HA GLY 16 1HA GLY 16 10.927 0.338 -5.812 116 H THR 17 H THR 17 10.079 -1.667 -6.913 117 HA THR 17 HA THR 17 9.513 -1.031 -9.741 118 HB THR 17 HB THR 17 10.716 -3.676 -8.868 119 HG1 THR 17 HG1 THR 17 12.354 -3.036 -10.314 120 1HG2 THR 17 3HG2 THR 17 9.186 -2.812 -11.263 121 2HG2 THR 17 2HG2 THR 17 10.625 -3.786 -11.563 122 3HG2 THR 17 1HG2 THR 17 9.334 -4.413 -10.539 123 H VAL 18 H VAL 18 7.337 -1.216 -9.927 124 HA VAL 18 HA VAL 18 5.542 -2.107 -8.021 125 HB VAL 18 HB VAL 18 5.230 -2.449 -11.020 126 1HG1 VAL 18 2HG1 VAL 18 3.188 -2.219 -8.787 127 2HG1 VAL 18 1HG1 VAL 18 2.812 -2.268 -10.509 128 3HG1 VAL 18 3HG1 VAL 18 3.534 -3.672 -9.724 129 1HG2 VAL 18 2HG2 VAL 18 5.362 -0.113 -9.277 130 2HG2 VAL 18 1HG2 VAL 18 5.344 -0.190 -11.039 131 3HG2 VAL 18 3HG2 VAL 18 3.826 -0.198 -10.140 132 H ALA 19 H ALA 19 4.208 -4.132 -7.966 133 HA ALA 19 HA ALA 19 5.943 -6.496 -8.535 134 1HB ALA 19 2HB ALA 19 5.310 -6.067 -6.144 135 2HB ALA 19 1HB ALA 19 3.619 -6.292 -6.596 136 3HB ALA 19 3HB ALA 19 4.758 -7.631 -6.744 137 H THR 20 H THR 20 2.420 -6.192 -8.021 138 HA THR 20 HA THR 20 1.848 -6.932 -10.793 139 HB THR 20 HB THR 20 1.422 -8.904 -8.533 140 HG1 THR 20 HG1 THR 20 2.532 -9.484 -11.028 141 1HG2 THR 20 1HG2 THR 20 -0.594 -8.678 -9.992 142 2HG2 THR 20 3HG2 THR 20 0.416 -9.059 -11.387 143 3HG2 THR 20 2HG2 THR 20 0.173 -10.261 -10.120 144 H TRP 21 H TRP 21 -0.139 -6.100 -11.311 145 HA TRP 21 HA TRP 21 -1.764 -4.957 -9.140 146 1HB TRP 21 2HB TRP 21 -1.540 -4.639 -12.098 147 2HB TRP 21 1HB TRP 21 -3.099 -4.287 -11.357 148 HD1 TRP 21 HD1 TRP 21 0.419 -2.982 -11.687 149 HE1 TRP 21 HE1 TRP 21 0.601 -0.695 -10.497 150 HE3 TRP 21 HE3 TRP 21 -4.087 -2.856 -9.277 151 HZ2 TRP 21 HZ2 TRP 21 -0.928 0.946 -8.782 152 HZ3 TRP 21 HZ3 TRP 21 -4.699 -0.909 -7.866 153 HH2 TRP 21 HH2 TRP 21 -3.125 0.995 -7.614 154 H HIS 22 H HIS 22 -2.576 -6.972 -8.268 155 HA HIS 22 HA HIS 22 -3.774 -9.114 -9.551 156 1HB HIS 22 2HB HIS 22 -5.337 -7.906 -7.292 157 2HB HIS 22 1HB HIS 22 -4.913 -9.596 -7.583 158 HD1 HIS 22 HD1 HIS 22 -3.448 -6.352 -6.346 159 HD2 HIS 22 HD2 HIS 22 -2.430 -10.389 -6.494 160 HE1 HIS 22 HE1 HIS 22 -1.311 -6.596 -5.038 161 H LYS 23 H LYS 23 -5.832 -6.419 -8.396 162 HA LYS 23 HA LYS 23 -7.614 -6.962 -10.725 163 1HB LYS 23 2HB LYS 23 -8.095 -6.417 -7.949 164 2HB LYS 23 1HB LYS 23 -8.807 -5.121 -8.911 165 1HG LYS 23 2HG LYS 23 -10.454 -6.473 -9.645 166 2HG LYS 23 1HG LYS 23 -9.293 -7.707 -10.139 167 1HD LYS 23 2HD LYS 23 -9.560 -7.529 -7.232 168 2HD LYS 23 1HD LYS 23 -11.085 -7.922 -8.026 169 1HE LYS 23 2HE LYS 23 -8.967 -9.419 -9.267 170 2HE LYS 23 1HE LYS 23 -8.901 -9.662 -7.521 171 1HZ LYS 23 3HZ LYS 23 -11.442 -9.953 -7.768 172 2HZ LYS 23 2HZ LYS 23 -11.085 -10.265 -9.399 173 3HZ LYS 23 1HZ LYS 23 -10.416 -11.241 -8.179 174 H LYS 24 H LYS 24 -8.926 -4.661 -11.092 175 HA LYS 24 HA LYS 24 -6.771 -2.668 -11.677 176 1HB LYS 24 2HB LYS 24 -9.327 -2.672 -13.227 177 2HB LYS 24 1HB LYS 24 -7.699 -2.256 -13.755 178 1HG LYS 24 2HG LYS 24 -7.370 -4.895 -13.163 179 2HG LYS 24 1HG LYS 24 -9.047 -4.887 -13.711 180 1HD LYS 24 2HD LYS 24 -8.372 -4.719 -15.847 181 2HD LYS 24 1HD LYS 24 -7.506 -3.230 -15.470 182 1HE LYS 24 2HE LYS 24 -5.491 -4.326 -15.122 183 2HE LYS 24 1HE LYS 24 -6.274 -5.842 -14.677 184 1HZ LYS 24 3HZ LYS 24 -7.040 -5.954 -17.051 185 2HZ LYS 24 2HZ LYS 24 -5.967 -4.678 -17.383 186 3HZ LYS 24 1HZ LYS 24 -5.374 -6.164 -16.811 187 HA PRO 25 HA PRO 25 -9.094 0.322 -9.464 188 1HB PRO 25 2HB PRO 25 -8.646 2.577 -10.972 189 2HB PRO 25 1HB PRO 25 -7.421 1.838 -9.927 190 1HG PRO 25 2HG PRO 25 -7.641 1.769 -12.902 191 2HG PRO 25 1HG PRO 25 -6.200 1.638 -11.879 192 1HD PRO 25 2HD PRO 25 -7.525 -0.514 -13.141 193 2HD PRO 25 1HD PRO 25 -6.318 -0.653 -11.846 194 H GLY 26 H GLY 26 -11.168 1.276 -9.418 195 1HA GLY 26 2HA GLY 26 -13.120 2.270 -10.466 196 2HA GLY 26 1HA GLY 26 -12.627 1.540 -11.999 197 H GLU 27 H GLU 27 -12.063 -0.902 -9.995 198 HA GLU 27 HA GLU 27 -14.727 -2.098 -10.502 199 1HB GLU 27 2HB GLU 27 -13.674 -4.219 -10.152 200 2HB GLU 27 1HB GLU 27 -12.537 -3.266 -11.106 201 1HG GLU 27 2HG GLU 27 -10.983 -3.554 -9.508 202 2HG GLU 27 1HG GLU 27 -12.018 -2.691 -8.370 203 H ALA 28 H ALA 28 -15.355 -3.733 -8.614 204 HA ALA 28 HA ALA 28 -15.549 -2.063 -6.179 205 1HB ALA 28 3HB ALA 28 -17.553 -3.229 -7.224 206 2HB ALA 28 2HB ALA 28 -16.841 -4.753 -6.697 207 3HB ALA 28 1HB ALA 28 -17.316 -3.545 -5.505 208 H VAL 29 H VAL 29 -15.100 -3.034 -4.051 209 HA VAL 29 HA VAL 29 -13.253 -5.369 -4.129 210 HB VAL 29 HB VAL 29 -11.698 -4.177 -2.599 211 1HG1 VAL 29 1HG1 VAL 29 -11.609 -4.120 -5.209 212 2HG1 VAL 29 3HG1 VAL 29 -12.087 -2.433 -5.022 213 3HG1 VAL 29 2HG1 VAL 29 -10.583 -3.008 -4.302 214 1HG2 VAL 29 1HG2 VAL 29 -13.854 -2.431 -2.294 215 2HG2 VAL 29 3HG2 VAL 29 -12.222 -2.180 -1.675 216 3HG2 VAL 29 2HG2 VAL 29 -12.687 -1.504 -3.237 217 H LYS 30 H LYS 30 -12.582 -5.448 -1.453 218 HA LYS 30 HA LYS 30 -15.140 -5.285 0.051 219 1HB LYS 30 2HB LYS 30 -14.604 -7.629 -1.069 220 2HB LYS 30 1HB LYS 30 -13.511 -7.787 0.307 221 1HG LYS 30 2HG LYS 30 -15.530 -8.695 1.112 222 2HG LYS 30 1HG LYS 30 -15.547 -7.045 1.735 223 1HD LYS 30 2HD LYS 30 -17.275 -6.410 0.385 224 2HD LYS 30 1HD LYS 30 -16.712 -7.395 -0.966 225 1HE LYS 30 2HE LYS 30 -17.893 -8.639 1.519 226 2HE LYS 30 1HE LYS 30 -18.903 -8.128 0.166 227 1HZ LYS 30 1HZ LYS 30 -16.922 -9.508 -1.043 228 2HZ LYS 30 3HZ LYS 30 -17.139 -10.390 0.389 229 3HZ LYS 30 2HZ LYS 30 -18.453 -10.135 -0.657 230 H ARG 31 H ARG 31 -14.820 -4.858 2.236 231 HA ARG 31 HA ARG 31 -12.570 -3.588 3.182 232 1HB ARG 31 2HB ARG 31 -14.363 -5.430 4.792 233 2HB ARG 31 1HB ARG 31 -13.303 -4.190 5.465 234 1HG ARG 31 2HG ARG 31 -14.604 -2.439 4.647 235 2HG ARG 31 1HG ARG 31 -15.302 -3.424 3.362 236 1HD ARG 31 2HD ARG 31 -17.063 -3.910 4.671 237 2HD ARG 31 1HD ARG 31 -15.984 -4.614 5.875 238 HE ARG 31 HE ARG 31 -17.322 -2.124 6.170 239 1HH1 ARG 31 1HH2 ARG 31 -14.771 -4.014 7.298 240 2HH1 ARG 31 2HH2 ARG 31 -13.992 -2.742 8.178 241 1HH2 ARG 31 2HH1 ARG 31 -16.078 -0.259 6.951 242 2HH2 ARG 31 1HH1 ARG 31 -14.732 -0.616 7.982 243 H ASP 32 H ASP 32 -10.489 -4.222 3.465 244 HA ASP 32 HA ASP 32 -8.669 -5.600 4.065 245 1HB ASP 32 2HB ASP 32 -10.465 -6.543 5.724 246 2HB ASP 32 1HB ASP 32 -10.557 -7.884 4.581 247 H GLU 33 H GLU 33 -9.037 -5.302 1.463 248 HA GLU 33 HA GLU 33 -8.732 -8.065 0.367 249 1HB GLU 33 2HB GLU 33 -10.948 -7.130 -0.273 250 2HB GLU 33 1HB GLU 33 -10.131 -5.752 -1.012 251 1HG GLU 33 2HG GLU 33 -9.693 -6.929 -2.881 252 2HG GLU 33 1HG GLU 33 -8.973 -8.239 -1.945 253 H LEU 34 H LEU 34 -6.725 -8.266 -0.489 254 HA LEU 34 HA LEU 34 -4.751 -6.358 -0.660 255 1HB LEU 34 2HB LEU 34 -4.403 -8.774 -1.119 256 2HB LEU 34 1HB LEU 34 -5.186 -8.571 -2.686 257 HG LEU 34 HG LEU 34 -3.463 -6.941 -3.349 258 1HD1 LEU 34 1HD1 LEU 34 -2.292 -7.570 -0.622 259 2HD1 LEU 34 3HD1 LEU 34 -1.479 -6.634 -1.876 260 3HD1 LEU 34 2HD1 LEU 34 -2.957 -6.021 -1.137 261 1HD2 LEU 34 2HD2 LEU 34 -2.511 -9.617 -2.304 262 2HD2 LEU 34 1HD2 LEU 34 -2.959 -9.198 -3.957 263 3HD2 LEU 34 3HD2 LEU 34 -1.475 -8.554 -3.256 264 H ILE 35 H ILE 35 -3.838 -5.207 -2.585 265 HA ILE 35 HA ILE 35 -5.859 -4.540 -4.661 266 HB ILE 35 HB ILE 35 -4.382 -2.487 -2.982 267 1HG1 ILE 35 2HG1 ILE 35 -7.356 -3.042 -3.216 268 2HG1 ILE 35 1HG1 ILE 35 -6.350 -3.629 -1.893 269 1HG2 ILE 35 1HG2 ILE 35 -5.938 -2.368 -5.527 270 2HG2 ILE 35 3HG2 ILE 35 -6.179 -1.062 -4.366 271 3HG2 ILE 35 2HG2 ILE 35 -4.567 -1.391 -5.002 272 1HD1 ILE 35 3HD1 ILE 35 -5.933 -0.787 -2.352 273 2HD1 ILE 35 2HD1 ILE 35 -7.630 -1.143 -2.026 274 3HD1 ILE 35 1HD1 ILE 35 -6.389 -1.622 -0.867 275 H VAL 36 H VAL 36 -2.527 -3.900 -3.519 276 HA VAL 36 HA VAL 36 -1.522 -4.599 -6.202 277 HB VAL 36 HB VAL 36 -2.064 -2.122 -6.236 278 1HG1 VAL 36 2HG1 VAL 36 0.091 -2.147 -4.108 279 2HG1 VAL 36 1HG1 VAL 36 -0.364 -0.697 -5.002 280 3HG1 VAL 36 3HG1 VAL 36 -1.546 -1.505 -3.971 281 1HG2 VAL 36 1HG2 VAL 36 0.670 -3.280 -6.671 282 2HG2 VAL 36 3HG2 VAL 36 -0.498 -2.699 -7.858 283 3HG2 VAL 36 2HG2 VAL 36 0.433 -1.547 -6.900 284 H ASP 37 H ASP 37 0.754 -5.081 -6.165 285 HA ASP 37 HA ASP 37 1.868 -5.319 -3.398 286 1HB ASP 37 2HB ASP 37 1.957 -7.171 -5.768 287 2HB ASP 37 1HB ASP 37 3.238 -7.229 -4.556 288 H ILE 38 H ILE 38 4.144 -4.923 -3.171 289 HA ILE 38 HA ILE 38 5.271 -3.287 -5.403 290 HB ILE 38 HB ILE 38 6.369 -3.268 -2.606 291 1HG1 ILE 38 2HG1 ILE 38 4.013 -2.962 -2.206 292 2HG1 ILE 38 1HG1 ILE 38 4.752 -1.361 -2.161 293 1HG2 ILE 38 3HG2 ILE 38 6.454 -1.611 -5.060 294 2HG2 ILE 38 2HG2 ILE 38 6.344 -0.712 -3.547 295 3HG2 ILE 38 1HG2 ILE 38 7.678 -1.835 -3.810 296 1HD1 ILE 38 3HD1 ILE 38 4.118 -1.805 -4.863 297 2HD1 ILE 38 2HD1 ILE 38 2.717 -2.376 -3.957 298 3HD1 ILE 38 1HD1 ILE 38 3.287 -0.721 -3.747 299 H GLU 39 H GLU 39 7.577 -3.554 -5.855 300 HA GLU 39 HA GLU 39 8.734 -6.117 -4.859 301 1HB GLU 39 2HB GLU 39 7.675 -5.796 -7.417 302 2HB GLU 39 1HB GLU 39 9.409 -5.563 -7.646 303 1HG GLU 39 2HG GLU 39 9.613 -7.691 -6.117 304 2HG GLU 39 1HG GLU 39 7.945 -7.976 -6.619 305 H THR 40 H THR 40 10.648 -5.598 -3.925 306 HA THR 40 HA THR 40 12.209 -3.335 -5.108 307 HB THR 40 HB THR 40 12.849 -4.220 -2.355 308 HG1 THR 40 HG1 THR 40 11.034 -3.266 -1.488 309 1HG2 THR 40 1HG2 THR 40 12.678 -1.708 -3.963 310 2HG2 THR 40 3HG2 THR 40 12.536 -1.579 -2.209 311 3HG2 THR 40 2HG2 THR 40 13.981 -2.291 -2.927 312 H ASP 41 H ASP 41 14.645 -3.803 -3.898 313 HA ASP 41 HA ASP 41 15.982 -5.565 -5.531 314 1HB ASP 41 2HB ASP 41 17.116 -4.057 -3.937 315 2HB ASP 41 1HB ASP 41 16.599 -5.085 -2.600 316 H LYS 42 H LYS 42 15.213 -6.488 -2.156 317 HA LYS 42 HA LYS 42 14.444 -9.184 -3.158 318 1HB LYS 42 2HB LYS 42 16.256 -8.817 -0.764 319 2HB LYS 42 1HB LYS 42 15.868 -10.315 -1.611 320 1HG LYS 42 2HG LYS 42 17.005 -9.439 -3.640 321 2HG LYS 42 1HG LYS 42 17.445 -7.984 -2.743 322 1HD LYS 42 2HD LYS 42 19.321 -9.102 -2.156 323 2HD LYS 42 1HD LYS 42 18.283 -10.022 -1.066 324 1HE LYS 42 2HE LYS 42 19.071 -11.811 -2.244 325 2HE LYS 42 1HE LYS 42 17.824 -11.339 -3.398 326 1HZ LYS 42 3HZ LYS 42 20.083 -9.759 -3.857 327 2HZ LYS 42 2HZ LYS 42 20.598 -11.376 -3.762 328 3HZ LYS 42 1HZ LYS 42 19.397 -10.928 -4.877 329 H VAL 43 H VAL 43 12.859 -6.946 -2.147 330 HA VAL 43 HA VAL 43 11.665 -8.330 0.211 331 HB VAL 43 HB VAL 43 12.061 -5.333 -0.051 332 1HG1 VAL 43 2HG1 VAL 43 10.718 -7.093 2.011 333 2HG1 VAL 43 1HG1 VAL 43 11.251 -5.452 2.377 334 3HG1 VAL 43 3HG1 VAL 43 10.029 -5.725 1.136 335 1HG2 VAL 43 2HG2 VAL 43 13.472 -7.495 1.506 336 2HG2 VAL 43 1HG2 VAL 43 14.171 -6.186 0.553 337 3HG2 VAL 43 3HG2 VAL 43 13.426 -5.840 2.113 338 H VAL 44 H VAL 44 9.760 -9.030 -0.667 339 HA VAL 44 HA VAL 44 8.324 -7.325 -2.608 340 HB VAL 44 HB VAL 44 7.827 -10.114 -1.535 341 1HG1 VAL 44 1HG1 VAL 44 6.204 -8.473 -3.503 342 2HG1 VAL 44 3HG1 VAL 44 5.986 -10.199 -3.220 343 3HG1 VAL 44 2HG1 VAL 44 5.666 -9.046 -1.924 344 1HG2 VAL 44 1HG2 VAL 44 9.420 -9.067 -3.632 345 2HG2 VAL 44 3HG2 VAL 44 9.050 -10.762 -3.314 346 3HG2 VAL 44 2HG2 VAL 44 8.024 -9.824 -4.399 347 H MET 45 H MET 45 6.980 -5.788 -1.806 348 HA MET 45 HA MET 45 5.770 -6.208 0.878 349 1HB MET 45 2HB MET 45 6.391 -3.822 -0.817 350 2HB MET 45 1HB MET 45 5.037 -3.709 0.308 351 1HG MET 45 2HG MET 45 6.432 -4.183 2.188 352 2HG MET 45 1HG MET 45 7.768 -4.693 1.155 353 1HE MET 45 3HE MET 45 7.064 -2.520 3.548 354 2HE MET 45 2HE MET 45 7.301 -0.836 3.089 355 3HE MET 45 1HE MET 45 5.789 -1.647 2.688 356 H GLU 46 H GLU 46 3.445 -5.067 0.937 357 HA GLU 46 HA GLU 46 1.906 -5.841 -1.492 358 1HB GLU 46 2HB GLU 46 1.110 -6.628 1.326 359 2HB GLU 46 1HB GLU 46 0.272 -7.052 -0.167 360 1HG GLU 46 2HG GLU 46 2.174 -8.372 -0.918 361 2HG GLU 46 1HG GLU 46 3.120 -7.864 0.483 362 H VAL 47 H VAL 47 -0.432 -5.003 -1.259 363 HA VAL 47 HA VAL 47 -0.598 -2.595 0.477 364 HB VAL 47 HB VAL 47 -1.063 -2.590 -2.522 365 1HG1 VAL 47 2HG1 VAL 47 -2.616 -1.191 -1.010 366 2HG1 VAL 47 1HG1 VAL 47 -1.184 -0.229 -0.642 367 3HG1 VAL 47 3HG1 VAL 47 -1.771 -0.337 -2.301 368 1HG2 VAL 47 1HG2 VAL 47 1.039 -1.316 -0.744 369 2HG2 VAL 47 3HG2 VAL 47 1.302 -2.499 -2.027 370 3HG2 VAL 47 2HG2 VAL 47 0.782 -0.863 -2.430 371 H LEU 48 H LEU 48 -2.343 -3.300 1.672 372 HA LEU 48 HA LEU 48 -4.696 -4.378 0.190 373 1HB LEU 48 2HB LEU 48 -3.472 -5.362 2.422 374 2HB LEU 48 1HB LEU 48 -4.733 -4.364 3.148 375 HG LEU 48 HG LEU 48 -5.857 -5.801 0.933 376 1HD1 LEU 48 3HD1 LEU 48 -3.959 -7.376 1.356 377 2HD1 LEU 48 2HD1 LEU 48 -4.518 -7.549 3.019 378 3HD1 LEU 48 1HD1 LEU 48 -5.533 -8.098 1.686 379 1HD2 LEU 48 3HD2 LEU 48 -6.263 -5.433 3.853 380 2HD2 LEU 48 2HD2 LEU 48 -7.421 -5.292 2.530 381 3HD2 LEU 48 1HD2 LEU 48 -6.981 -6.883 3.151 382 H ALA 49 H ALA 49 -6.820 -3.514 0.723 383 HA ALA 49 HA ALA 49 -6.732 -0.615 1.207 384 1HB ALA 49 3HB ALA 49 -8.484 -2.446 -0.136 385 2HB ALA 49 2HB ALA 49 -9.415 -1.566 1.075 386 3HB ALA 49 1HB ALA 49 -8.518 -0.683 -0.160 387 H GLU 50 H GLU 50 -8.335 0.346 2.787 388 HA GLU 50 HA GLU 50 -8.299 -1.261 5.299 389 1HB GLU 50 2HB GLU 50 -7.741 1.489 4.690 390 2HB GLU 50 1HB GLU 50 -9.113 1.419 5.795 391 1HG GLU 50 2HG GLU 50 -7.580 -0.388 7.013 392 2HG GLU 50 1HG GLU 50 -6.294 0.516 6.212 393 H ALA 51 H ALA 51 -10.343 -1.036 2.895 394 HA ALA 51 HA ALA 51 -12.657 -1.838 4.190 395 1HB ALA 51 2HB ALA 51 -12.201 1.061 4.460 396 2HB ALA 51 1HB ALA 51 -13.796 0.641 3.834 397 3HB ALA 51 3HB ALA 51 -13.260 -0.002 5.386 398 H ASP 52 H ASP 52 -14.630 -1.625 2.772 399 HA ASP 52 HA ASP 52 -13.999 -2.115 0.050 400 1HB ASP 52 2HB ASP 52 -16.064 -2.978 0.581 401 2HB ASP 52 1HB ASP 52 -16.503 -1.614 1.602 402 H GLY 53 H GLY 53 -14.992 -0.753 -1.782 403 1HA GLY 53 2HA GLY 53 -15.644 1.856 -1.929 404 2HA GLY 53 1HA GLY 53 -13.937 1.995 -1.488 405 H VAL 54 H VAL 54 -14.157 3.116 -3.764 406 HA VAL 54 HA VAL 54 -13.527 1.037 -5.824 407 HB VAL 54 HB VAL 54 -15.008 3.662 -6.152 408 1HG1 VAL 54 2HG1 VAL 54 -13.399 2.089 -8.033 409 2HG1 VAL 54 1HG1 VAL 54 -15.057 2.335 -8.583 410 3HG1 VAL 54 3HG1 VAL 54 -14.039 3.724 -8.198 411 1HG2 VAL 54 3HG2 VAL 54 -15.981 1.204 -5.475 412 2HG2 VAL 54 2HG2 VAL 54 -16.897 2.399 -6.396 413 3HG2 VAL 54 1HG2 VAL 54 -16.040 1.106 -7.235 414 H ILE 55 H ILE 55 -11.547 1.287 -6.768 415 HA ILE 55 HA ILE 55 -9.755 3.354 -5.830 416 HB ILE 55 HB ILE 55 -9.149 1.790 -8.307 417 1HG1 ILE 55 2HG1 ILE 55 -10.218 0.054 -7.070 418 2HG1 ILE 55 1HG1 ILE 55 -8.502 -0.131 -6.727 419 1HG2 ILE 55 3HG2 ILE 55 -7.735 2.949 -5.956 420 2HG2 ILE 55 2HG2 ILE 55 -7.056 1.477 -6.651 421 3HG2 ILE 55 1HG2 ILE 55 -7.256 2.916 -7.652 422 1HD1 ILE 55 2HD1 ILE 55 -9.319 1.663 -4.786 423 2HD1 ILE 55 1HD1 ILE 55 -10.692 0.564 -4.912 424 3HD1 ILE 55 3HD1 ILE 55 -9.087 -0.067 -4.544 425 H ALA 56 H ALA 56 -8.382 4.416 -7.833 426 HA ALA 56 HA ALA 56 -10.438 5.839 -9.475 427 1HB ALA 56 2HB ALA 56 -8.821 6.998 -7.658 428 2HB ALA 56 1HB ALA 56 -7.748 7.045 -9.058 429 3HB ALA 56 3HB ALA 56 -9.330 7.822 -9.133 430 H GLU 57 H GLU 57 -6.928 5.094 -9.569 431 HA GLU 57 HA GLU 57 -7.048 3.652 -12.027 432 1HB GLU 57 2HB GLU 57 -5.990 5.432 -13.495 433 2HB GLU 57 1HB GLU 57 -7.688 5.706 -13.105 434 1HG GLU 57 2HG GLU 57 -6.945 7.170 -11.200 435 2HG GLU 57 1HG GLU 57 -5.290 7.004 -11.786 436 H ILE 58 H ILE 58 -4.872 3.120 -12.811 437 HA ILE 58 HA ILE 58 -2.886 3.302 -10.631 438 HB ILE 58 HB ILE 58 -2.573 1.867 -13.276 439 1HG1 ILE 58 2HG1 ILE 58 -3.292 0.060 -11.201 440 2HG1 ILE 58 1HG1 ILE 58 -4.487 1.362 -11.186 441 1HG2 ILE 58 2HG2 ILE 58 -1.271 1.765 -10.563 442 2HG2 ILE 58 1HG2 ILE 58 -1.227 0.358 -11.625 443 3HG2 ILE 58 3HG2 ILE 58 -0.511 1.882 -12.150 444 1HD1 ILE 58 1HD1 ILE 58 -3.690 0.261 -13.843 445 2HD1 ILE 58 3HD1 ILE 58 -4.721 -0.744 -12.825 446 3HD1 ILE 58 2HD1 ILE 58 -5.255 0.868 -13.302 447 H VAL 59 H VAL 59 -0.932 4.404 -10.817 448 HA VAL 59 HA VAL 59 -0.721 6.238 -13.153 449 HB VAL 59 HB VAL 59 0.875 6.341 -10.582 450 1HG1 VAL 59 2HG1 VAL 59 0.786 7.863 -13.043 451 2HG1 VAL 59 1HG1 VAL 59 0.358 8.890 -11.674 452 3HG1 VAL 59 3HG1 VAL 59 1.894 8.024 -11.680 453 1HG2 VAL 59 1HG2 VAL 59 -1.934 6.761 -10.946 454 2HG2 VAL 59 3HG2 VAL 59 -0.971 7.032 -9.494 455 3HG2 VAL 59 2HG2 VAL 59 -1.175 8.329 -10.671 456 H LYS 60 H LYS 60 0.664 3.406 -11.825 457 HA LYS 60 HA LYS 60 2.986 3.692 -13.690 458 1HB LYS 60 2HB LYS 60 3.049 3.361 -10.872 459 2HB LYS 60 1HB LYS 60 3.550 1.822 -11.576 460 1HG LYS 60 2HG LYS 60 5.576 2.976 -11.509 461 2HG LYS 60 1HG LYS 60 5.018 3.345 -13.142 462 1HD LYS 60 2HD LYS 60 3.800 5.314 -11.638 463 2HD LYS 60 1HD LYS 60 5.362 5.135 -10.840 464 1HE LYS 60 2HE LYS 60 6.101 6.534 -12.477 465 2HE LYS 60 1HE LYS 60 6.109 5.074 -13.468 466 1HZ LYS 60 1HZ LYS 60 3.653 6.680 -13.194 467 2HZ LYS 60 3HZ LYS 60 4.851 7.136 -14.304 468 3HZ LYS 60 2HZ LYS 60 4.102 5.617 -14.440 469 H ASN 61 H ASN 61 3.956 1.173 -13.717 470 HA ASN 61 HA ASN 61 1.616 -0.592 -14.287 471 1HB ASN 61 2HB ASN 61 3.947 0.088 -16.075 472 2HB ASN 61 1HB ASN 61 3.084 -1.441 -16.256 473 1HD2 ASN 61 2HD2 ASN 61 1.221 2.062 -17.297 474 2HD2 ASN 61 1HD2 ASN 61 2.657 2.106 -16.378 475 H GLU 62 H GLU 62 2.294 -2.931 -14.404 476 HA GLU 62 HA GLU 62 3.930 -3.608 -12.131 477 1HB GLU 62 2HB GLU 62 3.340 -5.617 -14.276 478 2HB GLU 62 1HB GLU 62 3.281 -5.804 -12.523 479 1HG GLU 62 2HG GLU 62 1.046 -5.538 -12.692 480 2HG GLU 62 1HG GLU 62 1.370 -3.841 -13.053 481 H GLY 63 H GLY 63 6.094 -4.068 -12.042 482 1HA GLY 63 2HA GLY 63 8.227 -4.755 -12.863 483 2HA GLY 63 1HA GLY 63 7.562 -4.770 -14.500 484 H ASP 64 H ASP 64 6.485 -1.930 -13.396 485 HA ASP 64 HA ASP 64 8.594 -0.444 -14.770 486 1HB ASP 64 2HB ASP 64 6.575 0.549 -15.242 487 2HB ASP 64 1HB ASP 64 5.886 0.167 -13.664 488 H THR 65 H THR 65 9.403 1.624 -13.651 489 HA THR 65 HA THR 65 10.434 0.831 -10.974 490 HB THR 65 HB THR 65 11.343 3.104 -12.765 491 HG1 THR 65 HG1 THR 65 12.733 0.700 -12.409 492 1HG2 THR 65 3HG2 THR 65 11.847 2.650 -10.096 493 2HG2 THR 65 2HG2 THR 65 13.209 1.848 -10.875 494 3HG2 THR 65 1HG2 THR 65 12.899 3.556 -11.183 495 H VAL 66 H VAL 66 9.995 2.053 -9.149 496 HA VAL 66 HA VAL 66 8.259 4.458 -9.550 497 HB VAL 66 HB VAL 66 7.015 3.857 -7.576 498 1HG1 VAL 66 3HG1 VAL 66 7.496 1.611 -9.528 499 2HG1 VAL 66 2HG1 VAL 66 6.335 1.432 -8.212 500 3HG1 VAL 66 1HG1 VAL 66 6.112 2.699 -9.420 501 1HG2 VAL 66 1HG2 VAL 66 9.266 1.897 -7.225 502 2HG2 VAL 66 3HG2 VAL 66 8.553 2.993 -6.042 503 3HG2 VAL 66 2HG2 VAL 66 7.688 1.535 -6.528 504 H LEU 67 H LEU 67 8.326 5.894 -7.498 505 HA LEU 67 HA LEU 67 11.051 5.836 -6.276 506 1HB LEU 67 2HB LEU 67 10.829 8.444 -6.439 507 2HB LEU 67 1HB LEU 67 11.352 7.538 -7.858 508 HG LEU 67 HG LEU 67 8.424 7.792 -7.577 509 1HD1 LEU 67 3HD1 LEU 67 10.039 10.103 -7.164 510 2HD1 LEU 67 2HD1 LEU 67 9.350 10.225 -8.782 511 3HD1 LEU 67 1HD1 LEU 67 8.291 10.029 -7.386 512 1HD2 LEU 67 2HD2 LEU 67 10.400 8.322 -9.821 513 2HD2 LEU 67 1HD2 LEU 67 9.534 6.809 -9.550 514 3HD2 LEU 67 3HD2 LEU 67 8.646 8.266 -9.998 515 H SER 68 H SER 68 11.031 7.637 -4.424 516 HA SER 68 HA SER 68 9.112 6.792 -2.481 517 1HB SER 68 2HB SER 68 11.398 7.844 -2.049 518 2HB SER 68 1HB SER 68 10.649 9.398 -2.405 519 HG SER 68 HG SER 68 9.374 7.683 -0.602 520 H GLY 69 H GLY 69 7.246 7.849 -1.689 521 1HA GLY 69 2HA GLY 69 5.291 9.133 -1.875 522 2HA GLY 69 1HA GLY 69 6.342 10.426 -2.452 523 H GLU 70 H GLU 70 6.159 7.347 -4.114 524 HA GLU 70 HA GLU 70 5.266 8.735 -6.545 525 1HB GLU 70 2HB GLU 70 7.031 6.950 -6.579 526 2HB GLU 70 1HB GLU 70 5.793 5.779 -6.117 527 1HG GLU 70 2HG GLU 70 6.233 5.905 -8.604 528 2HG GLU 70 1HG GLU 70 4.552 6.183 -8.146 529 H LEU 71 H LEU 71 3.119 9.063 -6.852 530 HA LEU 71 HA LEU 71 1.101 7.574 -5.396 531 1HB LEU 71 2HB LEU 71 0.693 9.896 -6.041 532 2HB LEU 71 1HB LEU 71 0.871 9.479 -7.746 533 HG LEU 71 HG LEU 71 -1.038 7.783 -7.326 534 1HD1 LEU 71 3HD1 LEU 71 -1.369 9.626 -4.938 535 2HD1 LEU 71 2HD1 LEU 71 -2.557 8.439 -5.478 536 3HD1 LEU 71 1HD1 LEU 71 -0.990 7.904 -4.872 537 1HD2 LEU 71 3HD2 LEU 71 -0.993 10.365 -8.254 538 2HD2 LEU 71 2HD2 LEU 71 -2.416 9.324 -8.285 539 3HD2 LEU 71 1HD2 LEU 71 -2.196 10.477 -6.969 540 H LEU 72 H LEU 72 0.876 5.431 -5.918 541 HA LEU 72 HA LEU 72 1.098 4.573 -8.734 542 1HB LEU 72 2HB LEU 72 0.354 2.822 -6.389 543 2HB LEU 72 1HB LEU 72 1.132 2.352 -7.901 544 HG LEU 72 HG LEU 72 2.382 4.183 -5.833 545 1HD1 LEU 72 3HD1 LEU 72 1.969 1.549 -5.437 546 2HD1 LEU 72 2HD1 LEU 72 3.450 1.461 -6.389 547 3HD1 LEU 72 1HD1 LEU 72 3.426 2.372 -4.880 548 1HD2 LEU 72 1HD2 LEU 72 2.946 3.904 -8.524 549 2HD2 LEU 72 3HD2 LEU 72 4.093 4.457 -7.303 550 3HD2 LEU 72 2HD2 LEU 72 4.063 2.760 -7.782 551 H GLY 73 H GLY 73 -1.324 5.658 -6.628 552 1HA GLY 73 2HA GLY 73 -3.433 5.548 -8.444 553 2HA GLY 73 1HA GLY 73 -3.512 4.010 -7.577 554 H LYS 74 H LYS 74 -5.588 5.875 -7.353 555 HA LYS 74 HA LYS 74 -5.317 6.621 -4.477 556 1HB LYS 74 2HB LYS 74 -6.789 8.660 -5.111 557 2HB LYS 74 1HB LYS 74 -5.071 8.737 -5.500 558 1HG LYS 74 2HG LYS 74 -6.622 7.459 -7.619 559 2HG LYS 74 1HG LYS 74 -7.166 9.106 -7.296 560 1HD LYS 74 2HD LYS 74 -4.230 8.740 -7.378 561 2HD LYS 74 1HD LYS 74 -5.061 8.508 -8.916 562 1HE LYS 74 2HE LYS 74 -6.175 10.808 -7.618 563 2HE LYS 74 1HE LYS 74 -4.419 10.968 -7.633 564 1HZ LYS 74 2HZ LYS 74 -4.653 10.211 -10.068 565 2HZ LYS 74 1HZ LYS 74 -6.273 10.697 -9.903 566 3HZ LYS 74 3HZ LYS 74 -5.025 11.820 -9.671 567 H LEU 75 H LEU 75 -7.203 6.283 -3.276 568 HA LEU 75 HA LEU 75 -9.338 4.783 -4.696 569 1HB LEU 75 2HB LEU 75 -8.166 3.922 -2.571 570 2HB LEU 75 1HB LEU 75 -9.092 5.152 -1.708 571 HG LEU 75 HG LEU 75 -10.723 3.581 -3.574 572 1HD1 LEU 75 2HD1 LEU 75 -8.794 2.106 -2.228 573 2HD1 LEU 75 1HD1 LEU 75 -10.202 1.988 -1.172 574 3HD1 LEU 75 3HD1 LEU 75 -10.317 1.474 -2.855 575 1HD2 LEU 75 3HD2 LEU 75 -10.898 4.957 -1.032 576 2HD2 LEU 75 2HD2 LEU 75 -12.199 4.468 -2.116 577 3HD2 LEU 75 1HD2 LEU 75 -11.596 3.343 -0.899 578 H THR 76 H THR 76 -11.628 5.235 -3.867 579 HA THR 76 HA THR 76 -12.075 8.147 -3.988 580 HB THR 76 HB THR 76 -14.209 6.024 -3.744 581 HG1 THR 76 HG1 THR 76 -13.781 5.391 -5.688 582 1HG2 THR 76 3HG2 THR 76 -14.018 8.877 -4.594 583 2HG2 THR 76 2HG2 THR 76 -15.174 7.849 -5.441 584 3HG2 THR 76 1HG2 THR 76 -15.293 8.056 -3.694 585 H GLU 77 H GLU 77 -13.824 9.031 -2.451 586 HA GLU 77 HA GLU 77 -12.945 8.875 0.227 587 1HB GLU 77 2HB GLU 77 -15.579 9.732 -0.984 588 2HB GLU 77 1HB GLU 77 -15.273 9.834 0.750 589 1HG GLU 77 2HG GLU 77 -13.382 11.302 0.397 590 2HG GLU 77 1HG GLU 77 -13.483 11.083 -1.351 591 H GLY 78 H GLY 78 -15.874 7.365 -1.189 592 1HA GLY 78 2HA GLY 78 -15.513 5.082 0.660 593 2HA GLY 78 1HA GLY 78 -17.022 5.986 0.802 594 H GLY 79 HN GLY 79 -18.513 5.938 -0.978 595 1HA GLY 79 2HA GLY 79 -18.007 4.563 -3.438 596 2HA GLY 79 1HA GLY 79 -18.779 3.455 -2.302 No H/Q in entry = 596 Start of MODEL 4 1 1H ALA 1 3H ALA 1 -10.180 8.930 2.613 2 2H ALA 1 2H ALA 1 -10.761 10.305 1.802 3 3H ALA 1 1H ALA 1 -11.563 8.817 1.639 4 HA ALA 1 HA ALA 1 -10.309 8.260 -0.078 5 1HB ALA 1 3HB ALA 1 -9.011 10.945 0.473 6 2HB ALA 1 2HB ALA 1 -8.757 10.000 -0.993 7 3HB ALA 1 1HB ALA 1 -10.359 10.634 -0.620 8 H ILE 2 H ILE 2 -8.609 6.856 -0.316 9 HA ILE 2 HA ILE 2 -6.468 6.978 1.767 10 HB ILE 2 HB ILE 2 -7.316 4.571 0.133 11 1HG1 ILE 2 2HG1 ILE 2 -9.200 5.241 1.508 12 2HG1 ILE 2 1HG1 ILE 2 -8.429 3.853 2.276 13 1HG2 ILE 2 1HG2 ILE 2 -5.092 5.122 1.819 14 2HG2 ILE 2 3HG2 ILE 2 -6.145 4.008 2.693 15 3HG2 ILE 2 2HG2 ILE 2 -5.541 3.579 1.093 16 1HD1 ILE 2 3HD1 ILE 2 -7.049 5.638 3.581 17 2HD1 ILE 2 2HD1 ILE 2 -8.324 6.752 3.085 18 3HD1 ILE 2 1HD1 ILE 2 -8.718 5.343 4.070 19 H ASP 3 H ASP 3 -4.985 8.288 0.640 20 HA ASP 3 HA ASP 3 -4.330 7.941 -2.136 21 1HB ASP 3 2HB ASP 3 -3.772 10.033 -1.098 22 2HB ASP 3 1HB ASP 3 -2.839 9.223 0.167 23 H ILE 4 H ILE 4 -3.073 6.399 -3.074 24 HA ILE 4 HA ILE 4 -1.541 4.586 -1.273 25 HB ILE 4 HB ILE 4 -2.563 4.264 -4.107 26 1HG1 ILE 4 2HG1 ILE 4 -3.116 2.375 -1.858 27 2HG1 ILE 4 1HG1 ILE 4 -3.935 3.937 -1.831 28 1HG2 ILE 4 3HG2 ILE 4 -0.486 2.777 -2.567 29 2HG2 ILE 4 2HG2 ILE 4 -1.641 1.816 -3.491 30 3HG2 ILE 4 1HG2 ILE 4 -0.639 3.016 -4.308 31 1HD1 ILE 4 2HD1 ILE 4 -4.456 3.385 -4.350 32 2HD1 ILE 4 1HD1 ILE 4 -4.152 1.723 -3.846 33 3HD1 ILE 4 3HD1 ILE 4 -5.435 2.657 -3.077 34 H LYS 5 H LYS 5 0.433 5.652 -1.028 35 HA LYS 5 HA LYS 5 1.921 6.229 -3.560 36 1HB LYS 5 2HB LYS 5 1.315 8.015 -1.536 37 2HB LYS 5 1HB LYS 5 2.951 7.500 -1.123 38 1HG LYS 5 2HG LYS 5 3.666 8.001 -3.456 39 2HG LYS 5 1HG LYS 5 2.043 8.603 -3.797 40 1HD LYS 5 2HD LYS 5 2.946 9.848 -1.392 41 2HD LYS 5 1HD LYS 5 4.226 10.004 -2.596 42 1HE LYS 5 2HE LYS 5 3.030 11.758 -3.386 43 2HE LYS 5 1HE LYS 5 1.959 10.538 -4.075 44 1HZ LYS 5 3HZ LYS 5 1.363 10.945 -1.340 45 2HZ LYS 5 2HZ LYS 5 1.331 12.431 -2.162 46 3HZ LYS 5 1HZ LYS 5 0.357 11.143 -2.692 47 H ALA 6 H ALA 6 4.089 5.504 -3.658 48 HA ALA 6 HA ALA 6 4.704 3.099 -2.255 49 1HB ALA 6 2HB ALA 6 6.284 5.004 -3.958 50 2HB ALA 6 1HB ALA 6 7.119 3.711 -3.096 51 3HB ALA 6 3HB ALA 6 5.864 3.321 -4.272 52 HA PRO 7 HA PRO 7 6.449 4.574 1.491 53 1HB PRO 7 2HB PRO 7 8.212 2.527 2.003 54 2HB PRO 7 1HB PRO 7 6.457 2.381 2.202 55 1HG PRO 7 2HG PRO 7 8.202 1.269 0.054 56 2HG PRO 7 1HG PRO 7 6.644 0.677 0.653 57 1HD PRO 7 2HD PRO 7 7.054 2.144 -1.734 58 2HD PRO 7 1HD PRO 7 5.486 1.831 -0.954 59 H THR 8 H THR 8 7.932 6.212 1.690 60 HA THR 8 HA THR 8 9.949 6.911 -0.069 61 HB THR 8 HB THR 8 9.856 7.242 2.939 62 HG1 THR 8 HG1 THR 8 8.724 8.931 2.446 63 1HG2 THR 8 3HG2 THR 8 12.047 7.695 1.110 64 2HG2 THR 8 2HG2 THR 8 11.491 9.226 1.785 65 3HG2 THR 8 1HG2 THR 8 11.998 7.921 2.858 66 H PHE 9 H PHE 9 11.450 5.493 -0.859 67 HA PHE 9 HA PHE 9 12.541 3.317 0.703 68 1HB PHE 9 2HB PHE 9 13.763 4.487 -1.806 69 2HB PHE 9 1HB PHE 9 13.867 2.823 -1.218 70 HD1 PHE 9 HD2 PHE 9 11.495 1.654 -0.824 71 HD2 PHE 9 HD1 PHE 9 12.211 4.955 -3.481 72 HE1 PHE 9 HE2 PHE 9 9.447 1.073 -2.099 73 HE2 PHE 9 HE1 PHE 9 10.163 4.375 -4.755 74 HZ PHE 9 HZ PHE 9 8.781 2.434 -4.064 75 HA PRO 10 HA PRO 10 15.798 5.495 2.702 76 1HB PRO 10 2HB PRO 10 17.378 3.326 3.301 77 2HB PRO 10 1HB PRO 10 15.884 3.718 4.171 78 1HG PRO 10 2HG PRO 10 16.379 1.564 2.167 79 2HG PRO 10 1HG PRO 10 15.189 1.626 3.479 80 1HD PRO 10 2HD PRO 10 14.662 2.101 0.737 81 2HD PRO 10 1HD PRO 10 13.573 2.476 2.091 82 H GLU 11 H GLU 11 18.514 4.679 2.674 83 HA GLU 11 HA GLU 11 19.342 5.697 0.075 84 1HB GLU 11 2HB GLU 11 20.526 5.320 2.675 85 2HB GLU 11 1HB GLU 11 21.578 4.621 1.444 86 1HG GLU 11 2HG GLU 11 20.391 7.286 0.843 87 2HG GLU 11 1HG GLU 11 21.654 7.233 2.074 88 H SER 12 H SER 12 19.876 2.597 1.791 89 HA SER 12 HA SER 12 21.264 1.164 -0.102 90 1HB SER 12 2HB SER 12 20.152 0.421 2.173 91 2HB SER 12 1HB SER 12 18.856 -0.148 1.118 92 HG SER 12 HG SER 12 21.517 -0.988 1.341 93 H ILE 13 H ILE 13 17.684 1.359 -0.020 94 HA ILE 13 HA ILE 13 17.591 0.353 -2.796 95 HB ILE 13 HB ILE 13 15.310 1.200 -0.986 96 1HG1 ILE 13 2HG1 ILE 13 15.416 -1.606 -1.248 97 2HG1 ILE 13 1HG1 ILE 13 17.069 -1.102 -0.893 98 1HG2 ILE 13 2HG2 ILE 13 15.544 -0.153 -3.654 99 2HG2 ILE 13 1HG2 ILE 13 14.209 -0.589 -2.587 100 3HG2 ILE 13 3HG2 ILE 13 14.399 1.079 -3.125 101 1HD1 ILE 13 2HD1 ILE 13 15.572 0.460 0.831 102 2HD1 ILE 13 1HD1 ILE 13 14.702 -1.075 0.837 103 3HD1 ILE 13 3HD1 ILE 13 16.411 -1.029 1.271 104 H ALA 14 H ALA 14 17.963 1.868 -4.351 105 HA ALA 14 HA ALA 14 17.233 4.686 -3.868 106 1HB ALA 14 2HB ALA 14 18.803 3.211 -5.960 107 2HB ALA 14 1HB ALA 14 18.190 4.825 -6.317 108 3HB ALA 14 3HB ALA 14 19.292 4.581 -4.962 109 H ASP 15 H ASP 15 15.406 2.172 -4.600 110 HA ASP 15 HA ASP 15 13.215 3.532 -5.637 111 1HB ASP 15 2HB ASP 15 13.442 2.608 -8.105 112 2HB ASP 15 1HB ASP 15 14.171 4.154 -7.665 113 H GLY 16 H GLY 16 11.909 1.786 -7.230 114 1HA GLY 16 2HA GLY 16 12.404 -0.974 -6.331 115 2HA GLY 16 1HA GLY 16 10.922 -0.239 -5.721 116 H THR 17 H THR 17 9.996 -2.112 -7.041 117 HA THR 17 HA THR 17 9.260 -1.063 -9.709 118 HB THR 17 HB THR 17 10.379 -3.854 -9.301 119 HG1 THR 17 HG1 THR 17 11.901 -2.921 -10.907 120 1HG2 THR 17 1HG2 THR 17 8.540 -3.736 -10.952 121 2HG2 THR 17 3HG2 THR 17 9.394 -2.445 -11.798 122 3HG2 THR 17 2HG2 THR 17 10.087 -4.066 -11.731 123 H VAL 18 H VAL 18 7.106 -1.408 -10.068 124 HA VAL 18 HA VAL 18 5.365 -2.392 -8.094 125 HB VAL 18 HB VAL 18 4.869 -2.489 -11.084 126 1HG1 VAL 18 3HG1 VAL 18 3.179 -2.653 -8.621 127 2HG1 VAL 18 2HG1 VAL 18 2.517 -1.823 -10.029 128 3HG1 VAL 18 1HG1 VAL 18 3.012 -3.512 -10.153 129 1HG2 VAL 18 3HG2 VAL 18 5.418 -0.259 -9.347 130 2HG2 VAL 18 2HG2 VAL 18 5.037 -0.243 -11.068 131 3HG2 VAL 18 1HG2 VAL 18 3.737 -0.180 -9.878 132 H ALA 19 H ALA 19 3.986 -4.394 -8.229 133 HA ALA 19 HA ALA 19 5.664 -6.708 -9.102 134 1HB ALA 19 3HB ALA 19 5.170 -6.586 -6.671 135 2HB ALA 19 2HB ALA 19 3.445 -6.616 -7.034 136 3HB ALA 19 1HB ALA 19 4.451 -8.015 -7.414 137 H THR 20 H THR 20 2.176 -6.447 -8.402 138 HA THR 20 HA THR 20 1.466 -6.841 -11.212 139 HB THR 20 HB THR 20 1.124 -9.075 -9.194 140 HG1 THR 20 HG1 THR 20 2.184 -9.199 -11.801 141 1HG2 THR 20 1HG2 THR 20 -0.272 -8.470 -11.778 142 2HG2 THR 20 3HG2 THR 20 0.048 -10.149 -11.345 143 3HG2 THR 20 2HG2 THR 20 -0.931 -9.137 -10.283 144 H TRP 21 H TRP 21 -0.539 -5.951 -11.528 145 HA TRP 21 HA TRP 21 -2.039 -5.064 -9.158 146 1HB TRP 21 2HB TRP 21 -1.961 -4.403 -12.064 147 2HB TRP 21 1HB TRP 21 -3.477 -4.135 -11.210 148 HD1 TRP 21 HD1 TRP 21 0.044 -2.830 -11.543 149 HE1 TRP 21 HE1 TRP 21 0.304 -0.691 -10.117 150 HE3 TRP 21 HE3 TRP 21 -4.365 -2.928 -8.958 151 HZ2 TRP 21 HZ2 TRP 21 -1.135 0.765 -8.172 152 HZ3 TRP 21 HZ3 TRP 21 -4.894 -1.142 -7.317 153 HH2 TRP 21 HH2 TRP 21 -3.284 0.707 -6.920 154 H HIS 22 H HIS 22 -2.821 -7.175 -8.491 155 HA HIS 22 HA HIS 22 -4.126 -9.127 -9.967 156 1HB HIS 22 2HB HIS 22 -5.542 -8.222 -7.484 157 2HB HIS 22 1HB HIS 22 -5.137 -9.860 -8.010 158 HD1 HIS 22 HD1 HIS 22 -3.597 -6.788 -6.459 159 HD2 HIS 22 HD2 HIS 22 -2.605 -10.774 -7.162 160 HE1 HIS 22 HE1 HIS 22 -1.394 -7.186 -5.308 161 H LYS 23 H LYS 23 -5.836 -6.317 -8.538 162 HA LYS 23 HA LYS 23 -7.992 -6.742 -10.548 163 1HB LYS 23 2HB LYS 23 -7.870 -5.190 -7.952 164 2HB LYS 23 1HB LYS 23 -9.215 -5.042 -9.085 165 1HG LYS 23 2HG LYS 23 -9.148 -7.705 -8.949 166 2HG LYS 23 1HG LYS 23 -8.420 -7.363 -7.379 167 1HD LYS 23 2HD LYS 23 -10.377 -6.619 -6.508 168 2HD LYS 23 1HD LYS 23 -10.773 -5.702 -7.962 169 1HE LYS 23 2HE LYS 23 -10.913 -8.696 -8.058 170 2HE LYS 23 1HE LYS 23 -12.224 -7.804 -7.285 171 1HZ LYS 23 1HZ LYS 23 -12.120 -6.385 -9.422 172 2HZ LYS 23 3HZ LYS 23 -11.332 -7.731 -10.088 173 3HZ LYS 23 2HZ LYS 23 -12.905 -7.892 -9.465 174 H LYS 24 H LYS 24 -9.042 -4.324 -10.952 175 HA LYS 24 HA LYS 24 -6.764 -2.607 -11.859 176 1HB LYS 24 2HB LYS 24 -8.897 -3.859 -13.399 177 2HB LYS 24 1HB LYS 24 -8.898 -2.107 -13.595 178 1HG LYS 24 2HG LYS 24 -6.903 -2.097 -14.694 179 2HG LYS 24 1HG LYS 24 -6.224 -3.366 -13.673 180 1HD LYS 24 2HD LYS 24 -6.465 -4.649 -15.543 181 2HD LYS 24 1HD LYS 24 -8.141 -4.769 -15.006 182 1HE LYS 24 2HE LYS 24 -8.206 -2.399 -16.353 183 2HE LYS 24 1HE LYS 24 -6.996 -3.279 -17.288 184 1HZ LYS 24 1HZ LYS 24 -9.609 -4.458 -16.545 185 2HZ LYS 24 3HZ LYS 24 -9.376 -3.593 -17.986 186 3HZ LYS 24 2HZ LYS 24 -8.498 -5.019 -17.702 187 HA PRO 25 HA PRO 25 -8.880 0.772 -10.033 188 1HB PRO 25 2HB PRO 25 -8.385 2.779 -11.847 189 2HB PRO 25 1HB PRO 25 -7.157 2.129 -10.746 190 1HG PRO 25 2HG PRO 25 -7.485 1.664 -13.676 191 2HG PRO 25 1HG PRO 25 -6.015 1.612 -12.689 192 1HD PRO 25 2HD PRO 25 -7.460 -0.637 -13.599 193 2HD PRO 25 1HD PRO 25 -6.226 -0.642 -12.322 194 H GLY 26 H GLY 26 -11.094 0.904 -9.963 195 1HA GLY 26 2HA GLY 26 -12.997 2.167 -11.092 196 2HA GLY 26 1HA GLY 26 -12.554 1.272 -12.550 197 H GLU 27 H GLU 27 -12.102 -0.669 -9.843 198 HA GLU 27 HA GLU 27 -14.764 -1.955 -10.294 199 1HB GLU 27 2HB GLU 27 -12.255 -3.288 -9.242 200 2HB GLU 27 1HB GLU 27 -13.737 -4.073 -9.791 201 1HG GLU 27 2HG GLU 27 -12.475 -2.268 -11.765 202 2HG GLU 27 1HG GLU 27 -11.541 -3.711 -11.368 203 H ALA 28 H ALA 28 -14.978 -3.575 -8.141 204 HA ALA 28 HA ALA 28 -15.028 -1.634 -5.875 205 1HB ALA 28 1HB ALA 28 -16.834 -3.756 -6.821 206 2HB ALA 28 3HB ALA 28 -16.545 -3.793 -5.081 207 3HB ALA 28 2HB ALA 28 -17.188 -2.335 -5.838 208 H VAL 29 H VAL 29 -14.474 -2.479 -3.724 209 HA VAL 29 HA VAL 29 -12.869 -4.979 -3.722 210 HB VAL 29 HB VAL 29 -11.189 -3.565 -2.258 211 1HG1 VAL 29 1HG1 VAL 29 -10.882 -4.687 -4.564 212 2HG1 VAL 29 3HG1 VAL 29 -11.157 -3.082 -5.239 213 3HG1 VAL 29 2HG1 VAL 29 -9.791 -3.362 -4.160 214 1HG2 VAL 29 2HG2 VAL 29 -12.549 -1.489 -4.004 215 2HG2 VAL 29 1HG2 VAL 29 -12.463 -1.494 -2.243 216 3HG2 VAL 29 3HG2 VAL 29 -11.001 -1.238 -3.196 217 H LYS 30 H LYS 30 -11.973 -5.060 -1.198 218 HA LYS 30 HA LYS 30 -14.136 -4.200 0.630 219 1HB LYS 30 2HB LYS 30 -13.501 -7.047 -0.091 220 2HB LYS 30 1HB LYS 30 -14.051 -6.667 1.542 221 1HG LYS 30 2HG LYS 30 -15.803 -5.228 -0.047 222 2HG LYS 30 1HG LYS 30 -15.563 -6.714 -0.970 223 1HD LYS 30 2HD LYS 30 -16.283 -8.079 0.844 224 2HD LYS 30 1HD LYS 30 -16.171 -6.743 1.991 225 1HE LYS 30 2HE LYS 30 -18.381 -6.436 1.620 226 2HE LYS 30 1HE LYS 30 -17.903 -5.765 0.061 227 1HZ LYS 30 3HZ LYS 30 -17.975 -8.636 0.099 228 2HZ LYS 30 2HZ LYS 30 -19.486 -7.929 0.415 229 3HZ LYS 30 1HZ LYS 30 -18.651 -7.550 -1.015 230 H ARG 31 H ARG 31 -13.338 -3.786 2.673 231 HA ARG 31 HA ARG 31 -10.680 -3.323 3.205 232 1HB ARG 31 2HB ARG 31 -12.763 -2.894 4.691 233 2HB ARG 31 1HB ARG 31 -12.433 -4.495 5.358 234 1HG ARG 31 2HG ARG 31 -9.946 -3.151 5.275 235 2HG ARG 31 1HG ARG 31 -11.108 -1.996 5.930 236 1HD ARG 31 2HD ARG 31 -11.518 -4.652 7.043 237 2HD ARG 31 1HD ARG 31 -9.875 -4.083 7.330 238 HE ARG 31 HE ARG 31 -12.315 -2.942 8.478 239 1HH1 ARG 31 2HH1 ARG 31 -11.390 -0.444 7.718 240 2HH1 ARG 31 1HH1 ARG 31 -10.084 -0.054 8.787 241 1HH2 ARG 31 1HH2 ARG 31 -9.598 -3.328 9.819 242 2HH2 ARG 31 2HH2 ARG 31 -9.069 -1.687 9.976 243 H ASP 32 H ASP 32 -8.889 -4.545 3.741 244 HA ASP 32 HA ASP 32 -7.590 -6.453 4.187 245 1HB ASP 32 2HB ASP 32 -9.481 -6.809 5.924 246 2HB ASP 32 1HB ASP 32 -10.136 -7.966 4.765 247 H GLU 33 H GLU 33 -8.103 -5.946 1.570 248 HA GLU 33 HA GLU 33 -8.398 -8.689 0.458 249 1HB GLU 33 2HB GLU 33 -10.574 -7.425 0.215 250 2HB GLU 33 1HB GLU 33 -9.713 -6.263 -0.794 251 1HG GLU 33 2HG GLU 33 -9.072 -8.895 -1.718 252 2HG GLU 33 1HG GLU 33 -10.826 -8.771 -1.572 253 H LEU 34 H LEU 34 -6.578 -9.089 -0.694 254 HA LEU 34 HA LEU 34 -4.480 -7.386 -1.216 255 1HB LEU 34 2HB LEU 34 -4.456 -9.830 -1.677 256 2HB LEU 34 1HB LEU 34 -5.450 -9.549 -3.108 257 HG LEU 34 HG LEU 34 -3.711 -8.174 -4.108 258 1HD1 LEU 34 1HD1 LEU 34 -2.689 -8.228 -1.344 259 2HD1 LEU 34 3HD1 LEU 34 -1.446 -8.452 -2.575 260 3HD1 LEU 34 2HD1 LEU 34 -2.465 -7.013 -2.602 261 1HD2 LEU 34 1HD2 LEU 34 -2.944 -10.877 -3.034 262 2HD2 LEU 34 3HD2 LEU 34 -3.317 -10.405 -4.691 263 3HD2 LEU 34 2HD2 LEU 34 -1.773 -9.950 -3.971 264 H ILE 35 H ILE 35 -3.942 -5.880 -2.821 265 HA ILE 35 HA ILE 35 -6.019 -5.319 -4.888 266 HB ILE 35 HB ILE 35 -4.721 -3.335 -3.004 267 1HG1 ILE 35 2HG1 ILE 35 -7.574 -4.150 -3.622 268 2HG1 ILE 35 1HG1 ILE 35 -6.719 -4.328 -2.090 269 1HG2 ILE 35 3HG2 ILE 35 -4.695 -2.544 -5.385 270 2HG2 ILE 35 2HG2 ILE 35 -6.446 -2.754 -5.429 271 3HG2 ILE 35 1HG2 ILE 35 -5.727 -1.570 -4.338 272 1HD1 ILE 35 3HD1 ILE 35 -6.543 -1.862 -1.916 273 2HD1 ILE 35 2HD1 ILE 35 -7.445 -1.703 -3.422 274 3HD1 ILE 35 1HD1 ILE 35 -8.224 -2.390 -1.997 275 H VAL 36 H VAL 36 -2.680 -4.727 -3.789 276 HA VAL 36 HA VAL 36 -1.713 -5.143 -6.524 277 HB VAL 36 HB VAL 36 -2.372 -2.741 -6.536 278 1HG1 VAL 36 2HG1 VAL 36 -1.985 -2.404 -4.077 279 2HG1 VAL 36 1HG1 VAL 36 -0.250 -2.448 -4.390 280 3HG1 VAL 36 3HG1 VAL 36 -1.237 -1.162 -5.082 281 1HG2 VAL 36 1HG2 VAL 36 0.595 -3.369 -6.586 282 2HG2 VAL 36 3HG2 VAL 36 -0.520 -3.394 -7.953 283 3HG2 VAL 36 2HG2 VAL 36 -0.094 -1.863 -7.191 284 H ASP 37 H ASP 37 0.456 -5.774 -6.513 285 HA ASP 37 HA ASP 37 1.691 -5.998 -3.806 286 1HB ASP 37 2HB ASP 37 1.873 -7.630 -6.322 287 2HB ASP 37 1HB ASP 37 3.203 -7.670 -5.163 288 H ILE 38 H ILE 38 3.948 -5.465 -3.574 289 HA ILE 38 HA ILE 38 5.055 -3.807 -5.803 290 HB ILE 38 HB ILE 38 5.442 -3.154 -2.877 291 1HG1 ILE 38 2HG1 ILE 38 3.333 -2.110 -4.796 292 2HG1 ILE 38 1HG1 ILE 38 3.039 -3.046 -3.330 293 1HG2 ILE 38 3HG2 ILE 38 6.187 -1.991 -5.499 294 2HG2 ILE 38 2HG2 ILE 38 5.613 -0.838 -4.295 295 3HG2 ILE 38 1HG2 ILE 38 7.000 -1.866 -3.940 296 1HD1 ILE 38 2HD1 ILE 38 4.453 -1.089 -2.214 297 2HD1 ILE 38 1HD1 ILE 38 3.879 -0.191 -3.619 298 3HD1 ILE 38 3HD1 ILE 38 2.722 -0.910 -2.499 299 H GLU 39 H GLU 39 7.394 -3.775 -5.891 300 HA GLU 39 HA GLU 39 8.667 -5.994 -4.338 301 1HB GLU 39 2HB GLU 39 8.280 -6.067 -7.010 302 2HB GLU 39 1HB GLU 39 9.822 -5.212 -6.965 303 1HG GLU 39 2HG GLU 39 10.913 -6.991 -5.859 304 2HG GLU 39 1HG GLU 39 9.390 -7.727 -5.359 305 H THR 40 H THR 40 10.863 -5.629 -3.691 306 HA THR 40 HA THR 40 11.849 -2.834 -4.056 307 HB THR 40 HB THR 40 12.618 -2.930 -1.647 308 HG1 THR 40 HG1 THR 40 12.452 -4.855 -0.840 309 1HG2 THR 40 3HG2 THR 40 10.372 -1.940 -2.620 310 2HG2 THR 40 2HG2 THR 40 9.638 -3.253 -1.697 311 3HG2 THR 40 1HG2 THR 40 10.617 -2.036 -0.875 312 H ASP 41 H ASP 41 14.215 -3.034 -2.666 313 HA ASP 41 HA ASP 41 16.030 -4.167 -4.394 314 1HB ASP 41 2HB ASP 41 16.559 -2.781 -2.346 315 2HB ASP 41 1HB ASP 41 16.378 -4.250 -1.387 316 H LYS 42 H LYS 42 15.254 -5.830 -1.320 317 HA LYS 42 HA LYS 42 15.166 -8.394 -2.838 318 1HB LYS 42 2HB LYS 42 16.843 -7.769 -0.397 319 2HB LYS 42 1HB LYS 42 16.458 -9.418 -0.889 320 1HG LYS 42 2HG LYS 42 17.309 -8.384 -3.259 321 2HG LYS 42 1HG LYS 42 18.303 -7.463 -2.129 322 1HD LYS 42 2HD LYS 42 18.220 -10.221 -1.302 323 2HD LYS 42 1HD LYS 42 18.710 -10.128 -2.993 324 1HE LYS 42 2HE LYS 42 20.711 -9.210 -2.471 325 2HE LYS 42 1HE LYS 42 19.982 -8.079 -1.330 326 1HZ LYS 42 3HZ LYS 42 19.937 -10.818 -0.447 327 2HZ LYS 42 2HZ LYS 42 21.506 -10.200 -0.654 328 3HZ LYS 42 1HZ LYS 42 20.412 -9.418 0.385 329 H VAL 43 H VAL 43 13.132 -6.606 -1.531 330 HA VAL 43 HA VAL 43 11.943 -8.704 0.223 331 HB VAL 43 HB VAL 43 11.519 -5.803 0.870 332 1HG1 VAL 43 3HG1 VAL 43 10.178 -7.591 1.958 333 2HG1 VAL 43 2HG1 VAL 43 11.669 -8.325 2.551 334 3HG1 VAL 43 1HG1 VAL 43 11.187 -6.727 3.118 335 1HG2 VAL 43 2HG2 VAL 43 13.943 -7.485 1.540 336 2HG2 VAL 43 1HG2 VAL 43 13.904 -5.862 0.852 337 3HG2 VAL 43 3HG2 VAL 43 13.449 -6.116 2.538 338 H VAL 44 H VAL 44 9.544 -8.451 0.389 339 HA VAL 44 HA VAL 44 8.431 -7.060 -2.016 340 HB VAL 44 HB VAL 44 8.421 -9.521 -2.286 341 1HG1 VAL 44 2HG1 VAL 44 7.965 -9.566 0.424 342 2HG1 VAL 44 1HG1 VAL 44 6.365 -9.937 -0.217 343 3HG1 VAL 44 3HG1 VAL 44 7.745 -10.946 -0.651 344 1HG2 VAL 44 3HG2 VAL 44 5.894 -7.940 -2.013 345 2HG2 VAL 44 2HG2 VAL 44 6.619 -8.652 -3.455 346 3HG2 VAL 44 1HG2 VAL 44 5.757 -9.674 -2.305 347 H MET 45 H MET 45 6.604 -5.816 -1.661 348 HA MET 45 HA MET 45 5.441 -5.894 1.094 349 1HB MET 45 2HB MET 45 6.289 -3.530 -0.579 350 2HB MET 45 1HB MET 45 5.072 -3.361 0.686 351 1HG MET 45 2HG MET 45 6.788 -3.108 2.131 352 2HG MET 45 1HG MET 45 7.100 -4.829 1.907 353 1HE MET 45 2HE MET 45 7.264 -1.502 0.490 354 2HE MET 45 1HE MET 45 8.861 -1.166 1.152 355 3HE MET 45 3HE MET 45 8.655 -1.411 -0.588 356 H GLU 46 H GLU 46 3.507 -6.912 0.626 357 HA GLU 46 HA GLU 46 2.014 -6.383 -1.807 358 1HB GLU 46 2HB GLU 46 1.211 -7.748 0.781 359 2HB GLU 46 1HB GLU 46 0.230 -7.725 -0.685 360 1HG GLU 46 2HG GLU 46 1.611 -9.186 -1.801 361 2HG GLU 46 1HG GLU 46 3.059 -8.614 -0.970 362 H VAL 47 H VAL 47 -0.251 -5.498 -1.737 363 HA VAL 47 HA VAL 47 -0.573 -3.423 0.390 364 HB VAL 47 HB VAL 47 -0.938 -3.081 -2.601 365 1HG1 VAL 47 3HG1 VAL 47 -2.304 -1.823 -0.413 366 2HG1 VAL 47 2HG1 VAL 47 -1.237 -0.638 -1.167 367 3HG1 VAL 47 1HG1 VAL 47 -2.447 -1.478 -2.137 368 1HG2 VAL 47 3HG2 VAL 47 1.012 -2.077 -0.540 369 2HG2 VAL 47 2HG2 VAL 47 1.333 -2.719 -2.151 370 3HG2 VAL 47 1HG2 VAL 47 0.664 -1.098 -1.965 371 H LEU 48 H LEU 48 -2.350 -4.169 1.475 372 HA LEU 48 HA LEU 48 -4.550 -5.447 -0.036 373 1HB LEU 48 2HB LEU 48 -3.530 -5.592 2.660 374 2HB LEU 48 1HB LEU 48 -5.245 -5.178 2.694 375 HG LEU 48 HG LEU 48 -5.715 -7.085 1.174 376 1HD1 LEU 48 3HD1 LEU 48 -3.330 -7.028 0.222 377 2HD1 LEU 48 2HD1 LEU 48 -2.854 -7.932 1.660 378 3HD1 LEU 48 1HD1 LEU 48 -4.018 -8.624 0.529 379 1HD2 LEU 48 2HD2 LEU 48 -4.944 -7.173 3.911 380 2HD2 LEU 48 1HD2 LEU 48 -6.036 -8.269 3.064 381 3HD2 LEU 48 3HD2 LEU 48 -4.312 -8.633 3.150 382 H ALA 49 H ALA 49 -6.837 -4.726 0.670 383 HA ALA 49 HA ALA 49 -7.106 -1.903 0.081 384 1HB ALA 49 1HB ALA 49 -8.748 -3.988 -0.297 385 2HB ALA 49 3HB ALA 49 -9.389 -3.430 1.248 386 3HB ALA 49 2HB ALA 49 -9.359 -2.342 -0.139 387 H GLU 50 H GLU 50 -7.025 -0.259 1.532 388 HA GLU 50 HA GLU 50 -6.882 -0.863 4.398 389 1HB GLU 50 2HB GLU 50 -5.978 1.226 2.689 390 2HB GLU 50 1HB GLU 50 -7.061 1.954 3.874 391 1HG GLU 50 2HG GLU 50 -5.421 0.047 5.233 392 2HG GLU 50 1HG GLU 50 -4.370 1.076 4.258 393 H ALA 51 H ALA 51 -9.434 -0.737 2.418 394 HA ALA 51 HA ALA 51 -11.442 -0.567 4.313 395 1HB ALA 51 2HB ALA 51 -10.432 2.125 3.509 396 2HB ALA 51 1HB ALA 51 -12.176 1.928 3.678 397 3HB ALA 51 3HB ALA 51 -11.114 1.596 5.046 398 H ASP 52 H ASP 52 -13.437 -0.900 3.322 399 HA ASP 52 HA ASP 52 -13.578 -1.707 0.652 400 1HB ASP 52 2HB ASP 52 -15.448 -2.366 1.816 401 2HB ASP 52 1HB ASP 52 -15.593 -0.841 2.681 402 H GLY 53 H GLY 53 -14.989 -0.589 -1.068 403 1HA GLY 53 2HA GLY 53 -15.714 1.853 -1.652 404 2HA GLY 53 1HA GLY 53 -14.016 2.222 -1.329 405 H VAL 54 H VAL 54 -13.809 2.915 -3.571 406 HA VAL 54 HA VAL 54 -13.369 0.598 -5.391 407 HB VAL 54 HB VAL 54 -14.951 3.105 -6.009 408 1HG1 VAL 54 2HG1 VAL 54 -13.184 1.574 -7.719 409 2HG1 VAL 54 1HG1 VAL 54 -14.853 1.427 -8.273 410 3HG1 VAL 54 3HG1 VAL 54 -14.117 3.021 -8.101 411 1HG2 VAL 54 2HG2 VAL 54 -15.810 0.704 -5.082 412 2HG2 VAL 54 1HG2 VAL 54 -16.767 1.716 -6.166 413 3HG2 VAL 54 3HG2 VAL 54 -15.816 0.381 -6.816 414 H ILE 55 H ILE 55 -11.337 0.714 -6.205 415 HA ILE 55 HA ILE 55 -9.438 2.654 -5.612 416 HB ILE 55 HB ILE 55 -9.444 1.323 -8.318 417 1HG1 ILE 55 2HG1 ILE 55 -10.132 -0.478 -6.914 418 2HG1 ILE 55 1HG1 ILE 55 -8.386 -0.645 -7.051 419 1HG2 ILE 55 3HG2 ILE 55 -7.459 2.405 -6.373 420 2HG2 ILE 55 2HG2 ILE 55 -6.982 0.987 -7.306 421 3HG2 ILE 55 1HG2 ILE 55 -7.456 2.468 -8.135 422 1HD1 ILE 55 3HD1 ILE 55 -8.375 0.890 -4.901 423 2HD1 ILE 55 2HD1 ILE 55 -10.017 0.274 -4.711 424 3HD1 ILE 55 1HD1 ILE 55 -8.654 -0.845 -4.751 425 H ALA 56 H ALA 56 -8.363 4.154 -7.331 426 HA ALA 56 HA ALA 56 -10.549 5.723 -8.633 427 1HB ALA 56 3HB ALA 56 -7.827 6.632 -7.649 428 2HB ALA 56 2HB ALA 56 -9.028 7.667 -8.420 429 3HB ALA 56 1HB ALA 56 -9.367 6.941 -6.850 430 H GLU 57 H GLU 57 -7.009 5.336 -9.058 431 HA GLU 57 HA GLU 57 -7.271 4.281 -11.733 432 1HB GLU 57 2HB GLU 57 -7.738 6.982 -11.646 433 2HB GLU 57 1HB GLU 57 -5.999 6.936 -11.938 434 1HG GLU 57 2HG GLU 57 -6.977 4.972 -13.637 435 2HG GLU 57 1HG GLU 57 -8.202 6.238 -13.734 436 H ILE 58 H ILE 58 -5.312 3.395 -12.354 437 HA ILE 58 HA ILE 58 -3.037 3.840 -10.486 438 HB ILE 58 HB ILE 58 -3.366 1.654 -12.559 439 1HG1 ILE 58 2HG1 ILE 58 -5.194 1.407 -11.019 440 2HG1 ILE 58 1HG1 ILE 58 -3.953 0.257 -10.510 441 1HG2 ILE 58 3HG2 ILE 58 -1.064 2.265 -11.589 442 2HG2 ILE 58 2HG2 ILE 58 -1.681 1.665 -10.050 443 3HG2 ILE 58 1HG2 ILE 58 -1.565 0.582 -11.436 444 1HD1 ILE 58 2HD1 ILE 58 -3.118 2.010 -8.894 445 2HD1 ILE 58 1HD1 ILE 58 -4.537 2.973 -9.302 446 3HD1 ILE 58 3HD1 ILE 58 -4.731 1.398 -8.532 447 H VAL 59 H VAL 59 -1.264 4.937 -11.194 448 HA VAL 59 HA VAL 59 -1.153 5.671 -14.072 449 HB VAL 59 HB VAL 59 0.602 6.747 -11.857 450 1HG1 VAL 59 2HG1 VAL 59 0.146 7.288 -14.703 451 2HG1 VAL 59 1HG1 VAL 59 0.026 8.734 -13.701 452 3HG1 VAL 59 3HG1 VAL 59 1.497 7.763 -13.673 453 1HG2 VAL 59 3HG2 VAL 59 -1.957 6.913 -11.448 454 2HG2 VAL 59 2HG2 VAL 59 -1.013 8.399 -11.350 455 3HG2 VAL 59 1HG2 VAL 59 -1.955 8.047 -12.798 456 H LYS 60 H LYS 60 0.625 3.939 -11.580 457 HA LYS 60 HA LYS 60 2.911 3.499 -13.405 458 1HB LYS 60 2HB LYS 60 2.491 3.426 -10.551 459 2HB LYS 60 1HB LYS 60 3.155 1.884 -11.091 460 1HG LYS 60 2HG LYS 60 5.132 3.038 -10.875 461 2HG LYS 60 1HG LYS 60 4.727 3.527 -12.521 462 1HD LYS 60 2HD LYS 60 3.593 5.141 -10.279 463 2HD LYS 60 1HD LYS 60 5.309 5.330 -10.639 464 1HE LYS 60 2HE LYS 60 3.560 5.316 -13.015 465 2HE LYS 60 1HE LYS 60 3.308 6.683 -11.931 466 1HZ LYS 60 3HZ LYS 60 5.944 5.826 -12.992 467 2HZ LYS 60 2HZ LYS 60 5.022 7.112 -13.610 468 3HZ LYS 60 1HZ LYS 60 5.643 7.190 -12.030 469 H ASN 61 H ASN 61 2.774 1.860 -14.852 470 HA ASN 61 HA ASN 61 0.804 -0.287 -14.481 471 1HB ASN 61 2HB ASN 61 2.751 0.434 -16.674 472 2HB ASN 61 1HB ASN 61 1.844 -1.079 -16.703 473 1HD2 ASN 61 1HD2 ASN 61 1.661 2.295 -17.399 474 2HD2 ASN 61 2HD2 ASN 61 -0.010 2.359 -17.733 475 H GLU 62 H GLU 62 1.431 -2.572 -14.526 476 HA GLU 62 HA GLU 62 3.471 -3.243 -12.679 477 1HB GLU 62 2HB GLU 62 2.619 -5.166 -14.831 478 2HB GLU 62 1HB GLU 62 2.952 -5.484 -13.128 479 1HG GLU 62 2HG GLU 62 0.731 -5.351 -12.775 480 2HG GLU 62 1HG GLU 62 0.867 -3.620 -13.091 481 H GLY 63 H GLY 63 5.621 -3.885 -12.943 482 1HA GLY 63 2HA GLY 63 7.605 -4.438 -14.153 483 2HA GLY 63 1HA GLY 63 6.736 -4.138 -15.662 484 H ASP 64 H ASP 64 6.231 -1.664 -13.398 485 HA ASP 64 HA ASP 64 8.168 0.054 -14.874 486 1HB ASP 64 2HB ASP 64 6.156 1.133 -15.147 487 2HB ASP 64 1HB ASP 64 5.486 0.513 -13.638 488 H THR 65 H THR 65 9.022 1.911 -13.452 489 HA THR 65 HA THR 65 9.955 0.720 -10.873 490 HB THR 65 HB THR 65 11.204 2.963 -12.490 491 HG1 THR 65 HG1 THR 65 12.400 1.466 -13.419 492 1HG2 THR 65 1HG2 THR 65 11.541 2.459 -9.853 493 2HG2 THR 65 3HG2 THR 65 12.736 1.351 -10.527 494 3HG2 THR 65 2HG2 THR 65 12.830 3.075 -10.888 495 H VAL 66 H VAL 66 9.861 1.991 -8.973 496 HA VAL 66 HA VAL 66 8.287 4.525 -9.221 497 HB VAL 66 HB VAL 66 7.374 3.891 -6.917 498 1HG1 VAL 66 2HG1 VAL 66 6.750 2.395 -9.459 499 2HG1 VAL 66 1HG1 VAL 66 5.825 2.099 -7.986 500 3HG1 VAL 66 3HG1 VAL 66 5.848 3.710 -8.704 501 1HG2 VAL 66 3HG2 VAL 66 9.277 1.888 -7.107 502 2HG2 VAL 66 2HG2 VAL 66 7.934 1.909 -5.964 503 3HG2 VAL 66 1HG2 VAL 66 7.780 1.040 -7.492 504 H LEU 67 H LEU 67 9.045 6.251 -8.001 505 HA LEU 67 HA LEU 67 11.638 5.800 -6.608 506 1HB LEU 67 2HB LEU 67 10.462 7.996 -8.173 507 2HB LEU 67 1HB LEU 67 11.254 8.530 -6.690 508 HG LEU 67 HG LEU 67 13.119 6.797 -7.540 509 1HD1 LEU 67 1HD1 LEU 67 11.464 7.531 -9.925 510 2HD1 LEU 67 3HD1 LEU 67 13.213 7.423 -10.121 511 3HD1 LEU 67 2HD1 LEU 67 12.299 6.020 -9.566 512 1HD2 LEU 67 2HD2 LEU 67 12.675 9.656 -7.691 513 2HD2 LEU 67 1HD2 LEU 67 14.181 8.783 -7.404 514 3HD2 LEU 67 3HD2 LEU 67 13.656 9.117 -9.054 515 H SER 68 H SER 68 11.807 7.747 -4.798 516 HA SER 68 HA SER 68 10.095 6.892 -2.665 517 1HB SER 68 2HB SER 68 12.442 8.124 -2.654 518 2HB SER 68 1HB SER 68 11.439 9.570 -2.587 519 HG SER 68 HG SER 68 12.006 8.652 -0.509 520 H GLY 69 H GLY 69 8.005 7.456 -2.327 521 1HA GLY 69 2HA GLY 69 6.118 8.873 -2.143 522 2HA GLY 69 1HA GLY 69 7.101 10.203 -2.756 523 H GLU 70 H GLU 70 6.825 7.117 -4.418 524 HA GLU 70 HA GLU 70 5.840 8.515 -6.806 525 1HB GLU 70 2HB GLU 70 7.570 6.613 -6.782 526 2HB GLU 70 1HB GLU 70 6.206 5.531 -6.494 527 1HG GLU 70 2HG GLU 70 6.684 5.669 -8.899 528 2HG GLU 70 1HG GLU 70 5.111 6.384 -8.547 529 H LEU 71 H LEU 71 3.682 9.033 -6.672 530 HA LEU 71 HA LEU 71 1.729 7.462 -5.265 531 1HB LEU 71 2HB LEU 71 1.489 9.899 -5.855 532 2HB LEU 71 1HB LEU 71 1.233 9.415 -7.531 533 HG LEU 71 HG LEU 71 -0.458 7.845 -5.801 534 1HD1 LEU 71 3HD1 LEU 71 -0.171 9.903 -4.342 535 2HD1 LEU 71 2HD1 LEU 71 -0.922 10.833 -5.639 536 3HD1 LEU 71 1HD1 LEU 71 -1.832 9.560 -4.825 537 1HD2 LEU 71 2HD2 LEU 71 -0.493 8.967 -8.339 538 2HD2 LEU 71 1HD2 LEU 71 -1.847 8.141 -7.568 539 3HD2 LEU 71 3HD2 LEU 71 -1.717 9.898 -7.476 540 H LEU 72 H LEU 72 0.943 5.516 -5.891 541 HA LEU 72 HA LEU 72 1.221 4.710 -8.735 542 1HB LEU 72 2HB LEU 72 0.345 3.059 -6.344 543 2HB LEU 72 1HB LEU 72 0.777 2.449 -7.942 544 HG LEU 72 HG LEU 72 2.904 4.123 -6.970 545 1HD1 LEU 72 1HD1 LEU 72 1.550 2.629 -4.915 546 2HD1 LEU 72 3HD1 LEU 72 3.149 1.933 -5.181 547 3HD1 LEU 72 2HD1 LEU 72 2.988 3.641 -4.774 548 1HD2 LEU 72 2HD2 LEU 72 2.477 1.666 -8.334 549 2HD2 LEU 72 1HD2 LEU 72 4.000 2.533 -8.130 550 3HD2 LEU 72 3HD2 LEU 72 3.517 1.310 -6.954 551 H GLY 73 H GLY 73 -1.156 5.775 -6.476 552 1HA GLY 73 2HA GLY 73 -3.206 6.177 -8.320 553 2HA GLY 73 1HA GLY 73 -3.454 4.530 -7.728 554 H LYS 74 H LYS 74 -5.500 6.004 -7.074 555 HA LYS 74 HA LYS 74 -5.092 6.599 -4.188 556 1HB LYS 74 2HB LYS 74 -6.099 8.468 -6.297 557 2HB LYS 74 1HB LYS 74 -6.847 8.534 -4.700 558 1HG LYS 74 2HG LYS 74 -4.137 8.395 -4.122 559 2HG LYS 74 1HG LYS 74 -4.193 9.433 -5.547 560 1HD LYS 74 2HD LYS 74 -6.338 10.160 -3.777 561 2HD LYS 74 1HD LYS 74 -4.826 10.135 -2.869 562 1HE LYS 74 2HE LYS 74 -3.911 11.859 -4.075 563 2HE LYS 74 1HE LYS 74 -4.739 11.397 -5.562 564 1HZ LYS 74 2HZ LYS 74 -6.639 12.147 -3.626 565 2HZ LYS 74 1HZ LYS 74 -5.470 13.375 -3.752 566 3HZ LYS 74 3HZ LYS 74 -6.316 12.866 -5.132 567 H LEU 75 H LEU 75 -7.033 6.317 -2.931 568 HA LEU 75 HA LEU 75 -8.967 4.488 -4.227 569 1HB LEU 75 2HB LEU 75 -7.856 4.022 -1.965 570 2HB LEU 75 1HB LEU 75 -8.893 5.292 -1.312 571 HG LEU 75 HG LEU 75 -10.609 3.685 -2.839 572 1HD1 LEU 75 2HD1 LEU 75 -8.660 2.028 -1.210 573 2HD1 LEU 75 1HD1 LEU 75 -10.208 1.431 -1.808 574 3HD1 LEU 75 3HD1 LEU 75 -8.950 1.912 -2.946 575 1HD2 LEU 75 2HD2 LEU 75 -10.412 4.740 -0.262 576 2HD2 LEU 75 1HD2 LEU 75 -11.785 3.846 -0.914 577 3HD2 LEU 75 3HD2 LEU 75 -10.535 3.000 -0.001 578 H THR 76 H THR 76 -11.252 4.881 -4.138 579 HA THR 76 HA THR 76 -11.916 7.777 -4.011 580 HB THR 76 HB THR 76 -13.694 5.546 -5.017 581 HG1 THR 76 HG1 THR 76 -12.182 7.134 -6.740 582 1HG2 THR 76 1HG2 THR 76 -13.679 8.523 -5.062 583 2HG2 THR 76 3HG2 THR 76 -14.266 7.704 -6.509 584 3HG2 THR 76 2HG2 THR 76 -15.039 7.406 -4.952 585 H GLU 77 H GLU 77 -14.260 8.175 -3.165 586 HA GLU 77 HA GLU 77 -14.357 7.203 -0.428 587 1HB GLU 77 2HB GLU 77 -16.095 9.008 -2.104 588 2HB GLU 77 1HB GLU 77 -16.628 8.477 -0.507 589 1HG GLU 77 2HG GLU 77 -14.122 9.239 0.117 590 2HG GLU 77 1HG GLU 77 -14.411 10.319 -1.247 591 H GLY 78 H GLY 78 -17.001 6.743 0.119 592 1HA GLY 78 2HA GLY 78 -18.762 5.296 -1.248 593 2HA GLY 78 1HA GLY 78 -17.431 4.138 -1.236 594 H GLY 79 HN GLY 79 -19.807 5.786 0.757 595 1HA GLY 79 2HA GLY 79 -18.926 4.694 3.278 596 2HA GLY 79 1HA GLY 79 -20.526 5.366 2.956 No H/Q in entry = 596 Start of MODEL 5 1 1H ALA 1 2H ALA 1 -9.567 4.897 1.652 2 2H ALA 1 1H ALA 1 -11.184 5.265 2.023 3 3H ALA 1 3H ALA 1 -10.702 5.108 0.405 4 HA ALA 1 HA ALA 1 -10.265 7.260 0.308 5 1HB ALA 1 2HB ALA 1 -11.997 7.307 2.188 6 2HB ALA 1 1HB ALA 1 -10.639 7.428 3.306 7 3HB ALA 1 3HB ALA 1 -10.912 8.695 2.109 8 H ILE 2 H ILE 2 -8.006 5.831 0.266 9 HA ILE 2 HA ILE 2 -6.142 7.436 1.962 10 HB ILE 2 HB ILE 2 -4.676 5.341 1.992 11 1HG1 ILE 2 2HG1 ILE 2 -7.203 3.788 1.576 12 2HG1 ILE 2 1HG1 ILE 2 -6.326 4.346 0.151 13 1HG2 ILE 2 2HG2 ILE 2 -7.357 5.393 3.406 14 2HG2 ILE 2 1HG2 ILE 2 -6.048 4.292 3.837 15 3HG2 ILE 2 3HG2 ILE 2 -5.825 6.034 4.000 16 1HD1 ILE 2 3HD1 ILE 2 -4.233 3.361 1.395 17 2HD1 ILE 2 2HD1 ILE 2 -5.437 2.431 2.287 18 3HD1 ILE 2 1HD1 ILE 2 -5.321 2.274 0.534 19 H ASP 3 H ASP 3 -3.791 7.081 0.986 20 HA ASP 3 HA ASP 3 -4.052 7.299 -1.988 21 1HB ASP 3 2HB ASP 3 -3.464 9.449 -0.960 22 2HB ASP 3 1HB ASP 3 -2.101 8.692 -0.126 23 H ILE 4 H ILE 4 -2.708 6.005 -3.202 24 HA ILE 4 HA ILE 4 -0.938 4.152 -1.692 25 HB ILE 4 HB ILE 4 -1.993 4.036 -4.534 26 1HG1 ILE 4 2HG1 ILE 4 -2.646 2.342 -2.101 27 2HG1 ILE 4 1HG1 ILE 4 -3.660 3.657 -2.698 28 1HG2 ILE 4 3HG2 ILE 4 0.283 2.803 -3.410 29 2HG2 ILE 4 2HG2 ILE 4 -0.964 1.557 -3.458 30 3HG2 ILE 4 1HG2 ILE 4 -0.500 2.399 -4.937 31 1HD1 ILE 4 2HD1 ILE 4 -3.258 2.213 -4.989 32 2HD1 ILE 4 1HD1 ILE 4 -3.286 0.934 -3.775 33 3HD1 ILE 4 3HD1 ILE 4 -4.659 2.029 -3.933 34 H LYS 5 H LYS 5 0.596 6.072 -1.499 35 HA LYS 5 HA LYS 5 2.117 6.530 -4.025 36 1HB LYS 5 2HB LYS 5 3.029 8.497 -2.967 37 2HB LYS 5 1HB LYS 5 1.287 8.516 -2.692 38 1HG LYS 5 2HG LYS 5 1.588 7.606 -0.449 39 2HG LYS 5 1HG LYS 5 3.325 7.448 -0.718 40 1HD LYS 5 2HD LYS 5 3.707 9.664 -0.372 41 2HD LYS 5 1HD LYS 5 2.243 10.148 -1.230 42 1HE LYS 5 2HE LYS 5 1.262 8.865 1.027 43 2HE LYS 5 1HE LYS 5 2.665 9.742 1.637 44 1HZ LYS 5 1HZ LYS 5 0.691 11.044 -0.131 45 2HZ LYS 5 3HZ LYS 5 0.446 10.962 1.545 46 3HZ LYS 5 2HZ LYS 5 1.810 11.765 0.925 47 H ALA 6 H ALA 6 4.500 6.460 -3.860 48 HA ALA 6 HA ALA 6 5.374 4.136 -2.331 49 1HB ALA 6 3HB ALA 6 6.790 6.075 -4.171 50 2HB ALA 6 2HB ALA 6 7.639 4.772 -3.338 51 3HB ALA 6 1HB ALA 6 6.360 4.395 -4.492 52 HA PRO 7 HA PRO 7 6.834 6.335 1.188 53 1HB PRO 7 2HB PRO 7 8.539 4.403 2.146 54 2HB PRO 7 1HB PRO 7 6.776 4.311 2.292 55 1HG PRO 7 2HG PRO 7 8.589 2.804 0.465 56 2HG PRO 7 1HG PRO 7 6.997 2.347 1.094 57 1HD PRO 7 2HD PRO 7 7.531 3.344 -1.502 58 2HD PRO 7 1HD PRO 7 5.927 3.193 -0.748 59 H THR 8 H THR 8 8.866 7.250 2.078 60 HA THR 8 HA THR 8 10.720 8.036 -0.001 61 HB THR 8 HB THR 8 11.046 8.365 2.995 62 HG1 THR 8 HG1 THR 8 9.578 9.812 1.067 63 1HG2 THR 8 1HG2 THR 8 12.744 8.975 0.872 64 2HG2 THR 8 3HG2 THR 8 11.942 10.504 1.231 65 3HG2 THR 8 2HG2 THR 8 12.827 9.653 2.498 66 H PHE 9 H PHE 9 11.659 6.054 -0.745 67 HA PHE 9 HA PHE 9 12.752 3.962 0.696 68 1HB PHE 9 2HB PHE 9 14.108 5.313 -1.661 69 2HB PHE 9 1HB PHE 9 14.337 3.640 -1.135 70 HD1 PHE 9 HD1 PHE 9 11.805 2.520 -0.639 71 HD2 PHE 9 HD2 PHE 9 12.835 5.456 -3.603 72 HE1 PHE 9 HE1 PHE 9 9.857 1.821 -2.008 73 HE2 PHE 9 HE2 PHE 9 10.887 4.757 -4.973 74 HZ PHE 9 HZ PHE 9 9.398 2.940 -4.175 75 HA PRO 10 HA PRO 10 15.964 5.722 3.131 76 1HB PRO 10 2HB PRO 10 17.346 3.403 3.651 77 2HB PRO 10 1HB PRO 10 15.813 3.825 4.434 78 1HG PRO 10 2HG PRO 10 16.334 1.822 2.287 79 2HG PRO 10 1HG PRO 10 15.045 1.855 3.503 80 1HD PRO 10 2HD PRO 10 14.780 2.598 0.783 81 2HD PRO 10 1HD PRO 10 13.608 2.933 2.078 82 H GLU 11 H GLU 11 18.614 4.737 3.244 83 HA GLU 11 HA GLU 11 19.709 5.887 0.797 84 1HB GLU 11 2HB GLU 11 20.771 6.226 3.023 85 2HB GLU 11 1HB GLU 11 21.134 4.502 3.090 86 1HG GLU 11 2HG GLU 11 22.405 4.758 0.932 87 2HG GLU 11 1HG GLU 11 22.170 6.502 1.064 88 H SER 12 H SER 12 20.144 2.692 2.371 89 HA SER 12 HA SER 12 21.531 1.346 0.414 90 1HB SER 12 2HB SER 12 21.046 -0.004 2.239 91 2HB SER 12 1HB SER 12 19.355 0.497 2.289 92 HG SER 12 HG SER 12 19.158 -1.409 1.352 93 H ILE 13 H ILE 13 17.953 1.550 0.505 94 HA ILE 13 HA ILE 13 17.866 0.681 -2.321 95 HB ILE 13 HB ILE 13 15.636 1.328 -0.367 96 1HG1 ILE 13 2HG1 ILE 13 15.839 -1.423 -1.237 97 2HG1 ILE 13 1HG1 ILE 13 17.368 -0.900 -0.532 98 1HG2 ILE 13 1HG2 ILE 13 15.677 0.271 -3.197 99 2HG2 ILE 13 3HG2 ILE 13 14.318 -0.032 -2.115 100 3HG2 ILE 13 2HG2 ILE 13 14.747 1.623 -2.548 101 1HD1 ILE 13 1HD1 ILE 13 15.404 0.171 1.156 102 2HD1 ILE 13 3HD1 ILE 13 14.839 -1.457 0.786 103 3HD1 ILE 13 2HD1 ILE 13 16.435 -1.219 1.495 104 H ALA 14 H ALA 14 17.479 2.076 -4.001 105 HA ALA 14 HA ALA 14 16.924 4.926 -3.280 106 1HB ALA 14 2HB ALA 14 18.979 3.740 -4.898 107 2HB ALA 14 1HB ALA 14 17.953 4.743 -5.926 108 3HB ALA 14 3HB ALA 14 18.736 5.443 -4.508 109 H ASP 15 H ASP 15 15.263 2.376 -4.218 110 HA ASP 15 HA ASP 15 13.084 3.735 -5.343 111 1HB ASP 15 2HB ASP 15 13.432 2.768 -7.775 112 2HB ASP 15 1HB ASP 15 14.150 4.317 -7.332 113 H GLY 16 H GLY 16 11.893 1.932 -6.989 114 1HA GLY 16 2HA GLY 16 12.349 -0.802 -6.019 115 2HA GLY 16 1HA GLY 16 10.849 -0.065 -5.454 116 H THR 17 H THR 17 9.949 -1.946 -6.774 117 HA THR 17 HA THR 17 9.263 -0.928 -9.461 118 HB THR 17 HB THR 17 10.450 -3.687 -9.026 119 HG1 THR 17 HG1 THR 17 12.028 -2.803 -10.503 120 1HG2 THR 17 2HG2 THR 17 8.617 -2.731 -10.969 121 2HG2 THR 17 1HG2 THR 17 10.180 -2.886 -11.770 122 3HG2 THR 17 3HG2 THR 17 9.465 -4.277 -10.956 123 H VAL 18 H VAL 18 7.096 -1.182 -9.707 124 HA VAL 18 HA VAL 18 5.344 -2.240 -7.836 125 HB VAL 18 HB VAL 18 4.959 -2.362 -10.843 126 1HG1 VAL 18 3HG1 VAL 18 3.196 -2.733 -8.469 127 2HG1 VAL 18 2HG1 VAL 18 2.529 -1.831 -9.829 128 3HG1 VAL 18 1HG1 VAL 18 3.105 -3.480 -10.064 129 1HG2 VAL 18 1HG2 VAL 18 4.867 -0.144 -8.837 130 2HG2 VAL 18 3HG2 VAL 18 5.383 -0.108 -10.523 131 3HG2 VAL 18 2HG2 VAL 18 3.665 -0.140 -10.127 132 H ALA 19 H ALA 19 4.083 -4.280 -7.848 133 HA ALA 19 HA ALA 19 5.805 -6.565 -8.696 134 1HB ALA 19 2HB ALA 19 5.214 -6.307 -6.249 135 2HB ALA 19 1HB ALA 19 3.533 -6.598 -6.693 136 3HB ALA 19 3HB ALA 19 4.743 -7.853 -6.954 137 H THR 20 H THR 20 2.298 -6.278 -8.065 138 HA THR 20 HA THR 20 1.651 -6.842 -10.861 139 HB THR 20 HB THR 20 1.225 -8.940 -8.716 140 HG1 THR 20 HG1 THR 20 3.163 -9.245 -9.641 141 1HG2 THR 20 1HG2 THR 20 -0.148 -8.415 -11.303 142 2HG2 THR 20 3HG2 THR 20 0.267 -10.091 -10.945 143 3HG2 THR 20 2HG2 THR 20 -0.762 -9.182 -9.839 144 H TRP 21 H TRP 21 -0.337 -5.958 -11.282 145 HA TRP 21 HA TRP 21 -1.883 -4.908 -9.010 146 1HB TRP 21 2HB TRP 21 -1.734 -4.434 -11.952 147 2HB TRP 21 1HB TRP 21 -3.264 -4.097 -11.148 148 HD1 TRP 21 HD1 TRP 21 0.225 -2.785 -11.578 149 HE1 TRP 21 HE1 TRP 21 0.492 -0.587 -10.246 150 HE3 TRP 21 HE3 TRP 21 -4.113 -2.835 -8.881 151 HZ2 TRP 21 HZ2 TRP 21 -0.918 0.929 -8.325 152 HZ3 TRP 21 HZ3 TRP 21 -4.628 -0.992 -7.299 153 HH2 TRP 21 HH2 TRP 21 -3.035 0.893 -7.016 154 H HIS 22 H HIS 22 -2.709 -6.963 -8.230 155 HA HIS 22 HA HIS 22 -3.998 -8.991 -9.621 156 1HB HIS 22 2HB HIS 22 -5.462 -7.932 -7.229 157 2HB HIS 22 1HB HIS 22 -5.056 -9.600 -7.648 158 HD1 HIS 22 HD1 HIS 22 -3.536 -6.452 -6.240 159 HD2 HIS 22 HD2 HIS 22 -2.547 -10.475 -6.690 160 HE1 HIS 22 HE1 HIS 22 -1.364 -6.792 -5.016 161 H LYS 23 H LYS 23 -5.787 -6.168 -8.318 162 HA LYS 23 HA LYS 23 -7.841 -6.637 -10.421 163 1HB LYS 23 2HB LYS 23 -7.906 -4.878 -7.949 164 2HB LYS 23 1HB LYS 23 -9.250 -5.116 -9.066 165 1HG LYS 23 2HG LYS 23 -9.840 -7.000 -7.994 166 2HG LYS 23 1HG LYS 23 -8.242 -7.685 -8.287 167 1HD LYS 23 2HD LYS 23 -7.372 -6.813 -6.260 168 2HD LYS 23 1HD LYS 23 -8.730 -5.703 -6.062 169 1HE LYS 23 2HE LYS 23 -9.873 -7.260 -4.910 170 2HE LYS 23 1HE LYS 23 -9.739 -8.387 -6.260 171 1HZ LYS 23 3HZ LYS 23 -7.374 -7.985 -4.594 172 2HZ LYS 23 2HZ LYS 23 -8.655 -8.880 -3.927 173 3HZ LYS 23 1HZ LYS 23 -7.925 -9.387 -5.374 174 H LYS 24 H LYS 24 -8.865 -4.393 -11.141 175 HA LYS 24 HA LYS 24 -6.585 -2.593 -11.867 176 1HB LYS 24 2HB LYS 24 -8.677 -3.871 -13.482 177 2HB LYS 24 1HB LYS 24 -8.556 -2.132 -13.753 178 1HG LYS 24 2HG LYS 24 -5.976 -2.603 -13.856 179 2HG LYS 24 1HG LYS 24 -6.480 -4.260 -14.187 180 1HD LYS 24 2HD LYS 24 -8.100 -2.570 -15.795 181 2HD LYS 24 1HD LYS 24 -6.436 -2.015 -15.980 182 1HE LYS 24 2HE LYS 24 -6.070 -3.744 -17.374 183 2HE LYS 24 1HE LYS 24 -6.319 -4.837 -16.012 184 1HZ LYS 24 1HZ LYS 24 -8.736 -3.772 -17.192 185 2HZ LYS 24 3HZ LYS 24 -7.846 -4.800 -18.205 186 3HZ LYS 24 2HZ LYS 24 -8.375 -5.354 -16.688 187 HA PRO 25 HA PRO 25 -8.855 0.783 -10.231 188 1HB PRO 25 2HB PRO 25 -8.281 2.763 -12.051 189 2HB PRO 25 1HB PRO 25 -7.113 2.153 -10.866 190 1HG PRO 25 2HG PRO 25 -7.259 1.629 -13.801 191 2HG PRO 25 1HG PRO 25 -5.850 1.618 -12.729 192 1HD PRO 25 2HD PRO 25 -7.207 -0.668 -13.679 193 2HD PRO 25 1HD PRO 25 -6.050 -0.632 -12.332 194 H GLY 26 H GLY 26 -11.086 0.573 -10.350 195 1HA GLY 26 2HA GLY 26 -12.895 1.945 -11.675 196 2HA GLY 26 1HA GLY 26 -12.399 0.892 -13.004 197 H GLU 27 H GLU 27 -11.948 -1.108 -10.559 198 HA GLU 27 HA GLU 27 -14.683 -2.243 -10.798 199 1HB GLU 27 2HB GLU 27 -12.141 -3.478 -9.695 200 2HB GLU 27 1HB GLU 27 -13.670 -4.319 -9.961 201 1HG GLU 27 2HG GLU 27 -13.026 -2.994 -12.389 202 2HG GLU 27 1HG GLU 27 -11.560 -3.810 -11.845 203 H ALA 28 H ALA 28 -14.983 -3.688 -8.534 204 HA ALA 28 HA ALA 28 -15.019 -1.584 -6.418 205 1HB ALA 28 3HB ALA 28 -16.885 -3.725 -7.239 206 2HB ALA 28 2HB ALA 28 -16.673 -3.557 -5.495 207 3HB ALA 28 1HB ALA 28 -17.219 -2.180 -6.455 208 H VAL 29 H VAL 29 -14.477 -2.238 -4.228 209 HA VAL 29 HA VAL 29 -13.035 -4.832 -3.993 210 HB VAL 29 HB VAL 29 -11.405 -2.980 -4.535 211 1HG1 VAL 29 1HG1 VAL 29 -12.963 -1.529 -2.762 212 2HG1 VAL 29 3HG1 VAL 29 -11.524 -1.899 -1.811 213 3HG1 VAL 29 2HG1 VAL 29 -11.370 -1.051 -3.349 214 1HG2 VAL 29 2HG2 VAL 29 -11.362 -4.872 -2.327 215 2HG2 VAL 29 1HG2 VAL 29 -10.067 -4.433 -3.441 216 3HG2 VAL 29 3HG2 VAL 29 -10.339 -3.477 -1.984 217 H LYS 30 H LYS 30 -12.996 -5.648 -1.839 218 HA LYS 30 HA LYS 30 -14.804 -4.182 0.042 219 1HB LYS 30 2HB LYS 30 -14.270 -7.165 -0.117 220 2HB LYS 30 1HB LYS 30 -15.420 -6.366 0.957 221 1HG LYS 30 2HG LYS 30 -16.810 -7.025 -0.797 222 2HG LYS 30 1HG LYS 30 -16.391 -5.382 -1.281 223 1HD LYS 30 2HD LYS 30 -15.095 -6.083 -3.029 224 2HD LYS 30 1HD LYS 30 -14.512 -7.503 -2.159 225 1HE LYS 30 2HE LYS 30 -15.965 -8.748 -3.343 226 2HE LYS 30 1HE LYS 30 -17.278 -7.913 -2.513 227 1HZ LYS 30 1HZ LYS 30 -16.994 -6.119 -4.236 228 2HZ LYS 30 3HZ LYS 30 -16.011 -7.203 -5.094 229 3HZ LYS 30 2HZ LYS 30 -17.639 -7.588 -4.796 230 H ARG 31 H ARG 31 -14.039 -3.785 2.101 231 HA ARG 31 HA ARG 31 -11.367 -3.577 2.719 232 1HB ARG 31 2HB ARG 31 -13.015 -2.657 4.219 233 2HB ARG 31 1HB ARG 31 -13.660 -4.261 4.574 234 1HG ARG 31 2HG ARG 31 -11.640 -4.907 5.714 235 2HG ARG 31 1HG ARG 31 -10.804 -3.451 5.174 236 1HD ARG 31 2HD ARG 31 -12.206 -2.046 6.536 237 2HD ARG 31 1HD ARG 31 -13.282 -3.391 6.914 238 HE ARG 31 HE ARG 31 -11.493 -4.342 8.307 239 1HH1 ARG 31 1HH2 ARG 31 -8.969 -3.793 8.102 240 2HH1 ARG 31 2HH2 ARG 31 -8.629 -2.232 8.771 241 1HH2 ARG 31 2HH1 ARG 31 -11.935 -1.192 8.714 242 2HH2 ARG 31 1HH1 ARG 31 -10.308 -0.760 9.119 243 H ASP 32 H ASP 32 -9.814 -4.915 3.789 244 HA ASP 32 HA ASP 32 -8.799 -6.943 4.423 245 1HB ASP 32 2HB ASP 32 -11.085 -7.285 5.572 246 2HB ASP 32 1HB ASP 32 -11.497 -8.275 4.171 247 H GLU 33 H GLU 33 -8.875 -6.108 1.709 248 HA GLU 33 HA GLU 33 -8.688 -8.765 0.390 249 1HB GLU 33 2HB GLU 33 -10.921 -7.539 -0.102 250 2HB GLU 33 1HB GLU 33 -9.935 -6.432 -1.058 251 1HG GLU 33 2HG GLU 33 -10.188 -7.921 -2.744 252 2HG GLU 33 1HG GLU 33 -9.023 -8.915 -1.869 253 H LEU 34 H LEU 34 -6.715 -8.904 -0.559 254 HA LEU 34 HA LEU 34 -4.716 -7.013 -0.544 255 1HB LEU 34 2HB LEU 34 -4.424 -9.378 -1.270 256 2HB LEU 34 1HB LEU 34 -5.200 -8.978 -2.803 257 HG LEU 34 HG LEU 34 -3.443 -7.336 -3.290 258 1HD1 LEU 34 1HD1 LEU 34 -2.952 -7.639 -0.468 259 2HD1 LEU 34 3HD1 LEU 34 -1.474 -8.001 -1.359 260 3HD1 LEU 34 2HD1 LEU 34 -2.278 -6.447 -1.581 261 1HD2 LEU 34 3HD2 LEU 34 -2.490 -10.097 -2.479 262 2HD2 LEU 34 2HD2 LEU 34 -2.997 -9.566 -4.083 263 3HD2 LEU 34 1HD2 LEU 34 -1.491 -8.962 -3.389 264 H ILE 35 H ILE 35 -3.793 -5.722 -2.408 265 HA ILE 35 HA ILE 35 -5.882 -4.754 -4.295 266 HB ILE 35 HB ILE 35 -4.195 -3.000 -2.483 267 1HG1 ILE 35 2HG1 ILE 35 -6.280 -4.074 -1.526 268 2HG1 ILE 35 1HG1 ILE 35 -6.308 -2.309 -1.538 269 1HG2 ILE 35 2HG2 ILE 35 -5.193 -2.504 -5.103 270 2HG2 ILE 35 1HG2 ILE 35 -6.193 -1.585 -3.979 271 3HG2 ILE 35 3HG2 ILE 35 -4.445 -1.354 -3.996 272 1HD1 ILE 35 2HD1 ILE 35 -7.321 -3.379 -4.040 273 2HD1 ILE 35 1HD1 ILE 35 -8.225 -4.017 -2.667 274 3HD1 ILE 35 3HD1 ILE 35 -8.098 -2.274 -2.905 275 H VAL 36 H VAL 36 -2.446 -4.557 -3.338 276 HA VAL 36 HA VAL 36 -1.590 -5.155 -6.046 277 HB VAL 36 HB VAL 36 -2.162 -2.796 -6.377 278 1HG1 VAL 36 1HG1 VAL 36 -0.307 -2.342 -4.019 279 2HG1 VAL 36 3HG1 VAL 36 -0.960 -1.061 -5.042 280 3HG1 VAL 36 2HG1 VAL 36 -2.045 -2.043 -4.057 281 1HG2 VAL 36 1HG2 VAL 36 0.690 -3.688 -6.339 282 2HG2 VAL 36 3HG2 VAL 36 -0.317 -3.212 -7.706 283 3HG2 VAL 36 2HG2 VAL 36 0.375 -1.981 -6.649 284 H ASP 37 H ASP 37 0.483 -5.976 -5.978 285 HA ASP 37 HA ASP 37 1.826 -5.933 -3.327 286 1HB ASP 37 2HB ASP 37 1.986 -7.720 -5.744 287 2HB ASP 37 1HB ASP 37 3.295 -7.709 -4.562 288 H ILE 38 H ILE 38 4.091 -5.402 -3.182 289 HA ILE 38 HA ILE 38 5.076 -3.765 -5.486 290 HB ILE 38 HB ILE 38 5.949 -3.289 -2.646 291 1HG1 ILE 38 2HG1 ILE 38 3.472 -3.278 -2.628 292 2HG1 ILE 38 1HG1 ILE 38 4.118 -1.652 -2.407 293 1HG2 ILE 38 1HG2 ILE 38 6.091 -1.950 -5.279 294 2HG2 ILE 38 3HG2 ILE 38 5.727 -0.884 -3.922 295 3HG2 ILE 38 2HG2 ILE 38 7.197 -1.858 -3.908 296 1HD1 ILE 38 1HD1 ILE 38 3.623 -2.505 -5.212 297 2HD1 ILE 38 3HD1 ILE 38 2.197 -2.217 -4.215 298 3HD1 ILE 38 2HD1 ILE 38 3.380 -0.931 -4.455 299 H GLU 39 H GLU 39 7.418 -3.785 -5.787 300 HA GLU 39 HA GLU 39 8.695 -6.230 -4.624 301 1HB GLU 39 2HB GLU 39 8.300 -5.445 -7.356 302 2HB GLU 39 1HB GLU 39 10.031 -5.442 -7.013 303 1HG GLU 39 2HG GLU 39 8.294 -7.742 -6.132 304 2HG GLU 39 1HG GLU 39 8.939 -7.676 -7.772 305 H THR 40 H THR 40 10.531 -5.855 -3.469 306 HA THR 40 HA THR 40 11.761 -3.141 -3.693 307 HB THR 40 HB THR 40 12.647 -4.631 -1.384 308 HG1 THR 40 HG1 THR 40 10.640 -4.837 -0.382 309 1HG2 THR 40 2HG2 THR 40 12.489 -2.096 -1.881 310 2HG2 THR 40 1HG2 THR 40 10.797 -2.253 -1.408 311 3HG2 THR 40 3HG2 THR 40 12.074 -2.640 -0.256 312 H ASP 41 H ASP 41 14.181 -3.801 -2.368 313 HA ASP 41 HA ASP 41 15.915 -4.488 -4.390 314 1HB ASP 41 2HB ASP 41 16.739 -3.740 -2.227 315 2HB ASP 41 1HB ASP 41 16.154 -5.215 -1.457 316 H LYS 42 H LYS 42 15.143 -6.918 -1.880 317 HA LYS 42 HA LYS 42 14.836 -8.937 -4.052 318 1HB LYS 42 2HB LYS 42 16.597 -9.216 -1.597 319 2HB LYS 42 1HB LYS 42 16.211 -10.530 -2.708 320 1HG LYS 42 2HG LYS 42 17.174 -8.118 -4.071 321 2HG LYS 42 1HG LYS 42 18.361 -8.809 -2.963 322 1HD LYS 42 2HD LYS 42 18.386 -10.881 -4.086 323 2HD LYS 42 1HD LYS 42 16.853 -10.561 -4.897 324 1HE LYS 42 2HE LYS 42 19.208 -8.764 -5.407 325 2HE LYS 42 1HE LYS 42 19.091 -10.313 -6.244 326 1HZ LYS 42 1HZ LYS 42 16.753 -8.537 -6.184 327 2HZ LYS 42 3HZ LYS 42 18.019 -8.190 -7.259 328 3HZ LYS 42 2HZ LYS 42 17.210 -9.682 -7.354 329 H VAL 43 H VAL 43 12.963 -7.528 -2.190 330 HA VAL 43 HA VAL 43 11.843 -9.976 -0.887 331 HB VAL 43 HB VAL 43 11.645 -7.151 0.197 332 1HG1 VAL 43 2HG1 VAL 43 10.740 -9.874 1.134 333 2HG1 VAL 43 1HG1 VAL 43 10.979 -8.547 2.272 334 3HG1 VAL 43 3HG1 VAL 43 9.791 -8.396 0.978 335 1HG2 VAL 43 1HG2 VAL 43 13.548 -9.419 0.763 336 2HG2 VAL 43 3HG2 VAL 43 13.905 -7.706 0.540 337 3HG2 VAL 43 2HG2 VAL 43 13.140 -8.260 2.030 338 H VAL 44 H VAL 44 9.408 -9.659 -0.471 339 HA VAL 44 HA VAL 44 8.196 -7.992 -2.636 340 HB VAL 44 HB VAL 44 8.219 -10.331 -3.374 341 1HG1 VAL 44 1HG1 VAL 44 8.366 -11.320 -1.087 342 2HG1 VAL 44 3HG1 VAL 44 6.674 -10.897 -0.825 343 3HG1 VAL 44 2HG1 VAL 44 7.108 -12.072 -2.068 344 1HG2 VAL 44 1HG2 VAL 44 5.543 -9.242 -2.464 345 2HG2 VAL 44 3HG2 VAL 44 6.274 -9.110 -4.063 346 3HG2 VAL 44 2HG2 VAL 44 5.690 -10.671 -3.487 347 H MET 45 H MET 45 6.749 -6.591 -1.774 348 HA MET 45 HA MET 45 5.608 -7.224 0.907 349 1HB MET 45 2HB MET 45 5.705 -4.576 -0.573 350 2HB MET 45 1HB MET 45 5.157 -4.822 1.085 351 1HG MET 45 2HG MET 45 7.944 -5.498 0.105 352 2HG MET 45 1HG MET 45 7.524 -3.995 0.926 353 1HE MET 45 1HE MET 45 6.948 -3.600 3.012 354 2HE MET 45 3HE MET 45 5.616 -4.685 3.431 355 3HE MET 45 2HE MET 45 7.062 -4.631 4.436 356 H GLU 46 H GLU 46 3.301 -6.108 1.123 357 HA GLU 46 HA GLU 46 1.729 -6.597 -1.364 358 1HB GLU 46 2HB GLU 46 0.000 -7.748 0.066 359 2HB GLU 46 1HB GLU 46 1.512 -8.644 -0.089 360 1HG GLU 46 2HG GLU 46 2.177 -7.307 2.086 361 2HG GLU 46 1HG GLU 46 0.430 -7.152 2.278 362 H VAL 47 H VAL 47 -0.294 -5.431 -1.410 363 HA VAL 47 HA VAL 47 -0.505 -3.297 0.678 364 HB VAL 47 HB VAL 47 -1.083 -3.008 -2.286 365 1HG1 VAL 47 3HG1 VAL 47 -1.429 -1.274 0.122 366 2HG1 VAL 47 2HG1 VAL 47 -0.916 -0.502 -1.378 367 3HG1 VAL 47 1HG1 VAL 47 -2.433 -1.400 -1.322 368 1HG2 VAL 47 2HG2 VAL 47 1.398 -3.138 -1.129 369 2HG2 VAL 47 1HG2 VAL 47 1.031 -2.209 -2.584 370 3HG2 VAL 47 3HG2 VAL 47 1.052 -1.412 -1.011 371 H LEU 48 H LEU 48 -2.255 -4.061 1.835 372 HA LEU 48 HA LEU 48 -4.616 -5.068 0.342 373 1HB LEU 48 2HB LEU 48 -3.640 -6.255 2.398 374 2HB LEU 48 1HB LEU 48 -4.295 -4.920 3.346 375 HG LEU 48 HG LEU 48 -6.316 -5.839 1.525 376 1HD1 LEU 48 1HD1 LEU 48 -4.819 -7.945 1.748 377 2HD1 LEU 48 3HD1 LEU 48 -5.409 -8.013 3.409 378 3HD1 LEU 48 2HD1 LEU 48 -6.545 -8.125 2.064 379 1HD2 LEU 48 2HD2 LEU 48 -6.248 -4.742 3.969 380 2HD2 LEU 48 1HD2 LEU 48 -7.626 -5.698 3.424 381 3HD2 LEU 48 3HD2 LEU 48 -6.396 -6.430 4.453 382 H ALA 49 H ALA 49 -6.695 -4.099 0.623 383 HA ALA 49 HA ALA 49 -6.602 -1.208 1.032 384 1HB ALA 49 2HB ALA 49 -8.344 -3.083 -0.255 385 2HB ALA 49 1HB ALA 49 -9.294 -2.141 0.895 386 3HB ALA 49 3HB ALA 49 -8.365 -1.322 -0.361 387 H GLU 50 H GLU 50 -7.332 -0.088 2.822 388 HA GLU 50 HA GLU 50 -8.096 -1.745 5.175 389 1HB GLU 50 2HB GLU 50 -6.433 0.576 4.802 390 2HB GLU 50 1HB GLU 50 -7.738 0.968 5.923 391 1HG GLU 50 2HG GLU 50 -7.188 -1.136 7.188 392 2HG GLU 50 1HG GLU 50 -5.781 -1.337 6.142 393 H ALA 51 H ALA 51 -9.850 -0.708 2.853 394 HA ALA 51 HA ALA 51 -12.206 -0.221 4.401 395 1HB ALA 51 1HB ALA 51 -10.671 2.032 4.333 396 2HB ALA 51 3HB ALA 51 -11.656 2.263 2.889 397 3HB ALA 51 2HB ALA 51 -12.430 2.049 4.459 398 H ASP 52 H ASP 52 -13.947 -0.674 3.100 399 HA ASP 52 HA ASP 52 -13.537 -1.548 0.411 400 1HB ASP 52 2HB ASP 52 -15.405 -2.544 1.307 401 2HB ASP 52 1HB ASP 52 -15.898 -1.101 2.186 402 H GLY 53 H GLY 53 -14.887 -0.585 -1.446 403 1HA GLY 53 2HA GLY 53 -15.889 1.853 -1.900 404 2HA GLY 53 1HA GLY 53 -14.202 2.297 -1.614 405 H VAL 54 H VAL 54 -13.957 3.016 -3.808 406 HA VAL 54 HA VAL 54 -13.654 0.756 -5.733 407 HB VAL 54 HB VAL 54 -14.948 3.447 -6.258 408 1HG1 VAL 54 2HG1 VAL 54 -13.826 1.351 -8.107 409 2HG1 VAL 54 1HG1 VAL 54 -15.191 2.346 -8.613 410 3HG1 VAL 54 3HG1 VAL 54 -13.656 3.104 -8.190 411 1HG2 VAL 54 3HG2 VAL 54 -15.925 0.586 -6.541 412 2HG2 VAL 54 2HG2 VAL 54 -16.430 1.730 -5.299 413 3HG2 VAL 54 1HG2 VAL 54 -16.844 2.023 -6.987 414 H ILE 55 H ILE 55 -11.675 0.775 -6.708 415 HA ILE 55 HA ILE 55 -9.584 2.478 -5.935 416 HB ILE 55 HB ILE 55 -9.988 0.878 -8.466 417 1HG1 ILE 55 2HG1 ILE 55 -8.548 0.501 -5.835 418 2HG1 ILE 55 1HG1 ILE 55 -9.755 -0.547 -6.581 419 1HG2 ILE 55 1HG2 ILE 55 -7.537 2.390 -7.504 420 2HG2 ILE 55 3HG2 ILE 55 -7.528 1.201 -8.807 421 3HG2 ILE 55 2HG2 ILE 55 -8.444 2.697 -8.986 422 1HD1 ILE 55 3HD1 ILE 55 -7.990 -0.736 -8.515 423 2HD1 ILE 55 2HD1 ILE 55 -6.853 -0.216 -7.271 424 3HD1 ILE 55 1HD1 ILE 55 -7.784 -1.699 -7.051 425 H ALA 56 H ALA 56 -8.465 4.165 -7.226 426 HA ALA 56 HA ALA 56 -10.455 5.930 -8.549 427 1HB ALA 56 1HB ALA 56 -8.987 6.779 -6.665 428 2HB ALA 56 3HB ALA 56 -7.610 6.594 -7.749 429 3HB ALA 56 2HB ALA 56 -8.900 7.726 -8.149 430 H GLU 57 H GLU 57 -6.964 5.338 -9.086 431 HA GLU 57 HA GLU 57 -7.283 4.320 -11.744 432 1HB GLU 57 2HB GLU 57 -7.587 7.156 -11.495 433 2HB GLU 57 1HB GLU 57 -6.067 6.834 -12.329 434 1HG GLU 57 2HG GLU 57 -7.136 5.614 -14.051 435 2HG GLU 57 1HG GLU 57 -8.611 5.411 -13.106 436 H ILE 58 H ILE 58 -5.357 3.378 -12.295 437 HA ILE 58 HA ILE 58 -3.016 3.986 -10.575 438 HB ILE 58 HB ILE 58 -3.328 1.774 -12.624 439 1HG1 ILE 58 2HG1 ILE 58 -5.092 1.455 -11.026 440 2HG1 ILE 58 1HG1 ILE 58 -3.785 0.368 -10.544 441 1HG2 ILE 58 3HG2 ILE 58 -1.467 2.194 -10.265 442 2HG2 ILE 58 2HG2 ILE 58 -1.549 0.717 -11.225 443 3HG2 ILE 58 1HG2 ILE 58 -1.020 2.224 -11.971 444 1HD1 ILE 58 3HD1 ILE 58 -2.993 2.093 -8.928 445 2HD1 ILE 58 2HD1 ILE 58 -4.373 3.100 -9.364 446 3HD1 ILE 58 1HD1 ILE 58 -4.632 1.544 -8.575 447 H VAL 59 H VAL 59 -1.387 5.237 -11.349 448 HA VAL 59 HA VAL 59 -1.410 5.996 -14.203 449 HB VAL 59 HB VAL 59 0.391 6.946 -11.956 450 1HG1 VAL 59 2HG1 VAL 59 0.742 7.222 -14.662 451 2HG1 VAL 59 1HG1 VAL 59 -0.189 8.669 -14.279 452 3HG1 VAL 59 3HG1 VAL 59 1.342 8.364 -13.459 453 1HG2 VAL 59 2HG2 VAL 59 -2.304 7.320 -12.079 454 2HG2 VAL 59 1HG2 VAL 59 -1.190 8.498 -11.387 455 3HG2 VAL 59 3HG2 VAL 59 -1.749 8.682 -13.050 456 H LYS 60 H LYS 60 0.492 4.103 -11.941 457 HA LYS 60 HA LYS 60 2.659 3.737 -13.914 458 1HB LYS 60 2HB LYS 60 2.372 3.445 -11.055 459 2HB LYS 60 1HB LYS 60 2.987 1.945 -11.752 460 1HG LYS 60 2HG LYS 60 4.941 3.207 -11.359 461 2HG LYS 60 1HG LYS 60 4.615 3.476 -13.072 462 1HD LYS 60 2HD LYS 60 3.138 5.405 -11.550 463 2HD LYS 60 1HD LYS 60 4.817 5.428 -11.011 464 1HE LYS 60 2HE LYS 60 4.239 5.351 -13.952 465 2HE LYS 60 1HE LYS 60 4.076 6.880 -13.088 466 1HZ LYS 60 1HZ LYS 60 6.406 6.045 -12.143 467 2HZ LYS 60 3HZ LYS 60 6.461 5.326 -13.679 468 3HZ LYS 60 2HZ LYS 60 6.264 7.008 -13.535 469 H ASN 61 H ASN 61 3.303 1.473 -14.496 470 HA ASN 61 HA ASN 61 0.887 -0.276 -14.730 471 1HB ASN 61 2HB ASN 61 3.076 0.412 -16.659 472 2HB ASN 61 1HB ASN 61 2.330 -1.183 -16.758 473 1HD2 ASN 61 2HD2 ASN 61 0.176 2.123 -17.834 474 2HD2 ASN 61 1HD2 ASN 61 1.684 2.299 -17.057 475 H GLU 62 H GLU 62 1.332 -2.607 -14.691 476 HA GLU 62 HA GLU 62 3.095 -3.383 -12.590 477 1HB GLU 62 2HB GLU 62 2.265 -5.328 -14.724 478 2HB GLU 62 1HB GLU 62 2.359 -5.565 -12.978 479 1HG GLU 62 2HG GLU 62 0.136 -5.193 -12.923 480 2HG GLU 62 1HG GLU 62 0.500 -3.504 -13.284 481 H GLY 63 H GLY 63 5.232 -3.988 -12.609 482 1HA GLY 63 2HA GLY 63 7.235 -4.881 -13.606 483 2HA GLY 63 1HA GLY 63 6.529 -4.608 -15.203 484 H ASP 64 H ASP 64 5.795 -1.843 -13.708 485 HA ASP 64 HA ASP 64 8.104 -0.455 -14.892 486 1HB ASP 64 2HB ASP 64 6.223 0.763 -15.403 487 2HB ASP 64 1HB ASP 64 5.388 0.321 -13.916 488 H THR 65 H THR 65 9.013 1.425 -13.540 489 HA THR 65 HA THR 65 9.754 0.320 -10.876 490 HB THR 65 HB THR 65 11.517 0.983 -12.601 491 HG1 THR 65 HG1 THR 65 11.603 2.423 -10.165 492 1HG2 THR 65 1HG2 THR 65 10.027 3.233 -12.892 493 2HG2 THR 65 3HG2 THR 65 11.234 3.803 -11.741 494 3HG2 THR 65 2HG2 THR 65 11.742 3.144 -13.296 495 H VAL 66 H VAL 66 9.966 1.932 -9.075 496 HA VAL 66 HA VAL 66 7.988 4.159 -9.354 497 HB VAL 66 HB VAL 66 7.130 3.687 -7.155 498 1HG1 VAL 66 2HG1 VAL 66 6.384 2.233 -9.109 499 2HG1 VAL 66 1HG1 VAL 66 7.473 0.992 -8.489 500 3HG1 VAL 66 3HG1 VAL 66 6.116 1.544 -7.508 501 1HG2 VAL 66 3HG2 VAL 66 9.356 1.630 -7.021 502 2HG2 VAL 66 2HG2 VAL 66 9.204 3.084 -6.034 503 3HG2 VAL 66 1HG2 VAL 66 8.057 1.758 -5.836 504 H LEU 67 H LEU 67 8.551 6.086 -8.292 505 HA LEU 67 HA LEU 67 11.346 6.158 -7.246 506 1HB LEU 67 2HB LEU 67 9.989 7.770 -9.135 507 2HB LEU 67 1HB LEU 67 10.210 8.771 -7.700 508 HG LEU 67 HG LEU 67 12.627 7.331 -8.067 509 1HD1 LEU 67 1HD1 LEU 67 11.340 7.491 -10.522 510 2HD1 LEU 67 3HD1 LEU 67 12.404 8.897 -10.531 511 3HD1 LEU 67 2HD1 LEU 67 13.075 7.285 -10.285 512 1HD2 LEU 67 1HD2 LEU 67 11.675 10.168 -8.240 513 2HD2 LEU 67 3HD2 LEU 67 12.830 9.443 -7.122 514 3HD2 LEU 67 2HD2 LEU 67 13.312 9.797 -8.780 515 H SER 68 H SER 68 11.668 7.868 -5.486 516 HA SER 68 HA SER 68 9.897 7.307 -3.289 517 1HB SER 68 2HB SER 68 12.028 7.835 -2.541 518 2HB SER 68 1HB SER 68 12.249 9.103 -3.743 519 HG SER 68 HG SER 68 11.085 10.471 -2.530 520 H GLY 69 H GLY 69 7.796 8.021 -3.559 521 1HA GLY 69 2HA GLY 69 6.322 9.921 -3.028 522 2HA GLY 69 1HA GLY 69 7.451 10.970 -3.887 523 H GLU 70 H GLU 70 6.965 7.981 -5.442 524 HA GLU 70 HA GLU 70 5.579 9.313 -7.652 525 1HB GLU 70 2HB GLU 70 7.296 7.675 -8.187 526 2HB GLU 70 1HB GLU 70 6.463 6.440 -7.242 527 1HG GLU 70 2HG GLU 70 5.901 6.056 -9.551 528 2HG GLU 70 1HG GLU 70 4.473 6.746 -8.780 529 H LEU 71 H LEU 71 3.396 9.411 -7.825 530 HA LEU 71 HA LEU 71 1.715 7.913 -5.948 531 1HB LEU 71 2HB LEU 71 1.296 10.314 -6.713 532 2HB LEU 71 1HB LEU 71 0.785 9.633 -8.258 533 HG LEU 71 HG LEU 71 -0.421 8.356 -5.882 534 1HD1 LEU 71 1HD1 LEU 71 -0.252 11.104 -5.769 535 2HD1 LEU 71 3HD1 LEU 71 -1.794 10.861 -6.589 536 3HD1 LEU 71 2HD1 LEU 71 -1.516 10.141 -5.004 537 1HD2 LEU 71 1HD2 LEU 71 -0.921 8.056 -8.416 538 2HD2 LEU 71 3HD2 LEU 71 -2.291 8.186 -7.313 539 3HD2 LEU 71 2HD2 LEU 71 -1.797 9.580 -8.272 540 H LEU 72 H LEU 72 1.211 5.825 -6.403 541 HA LEU 72 HA LEU 72 1.197 4.894 -9.205 542 1HB LEU 72 2HB LEU 72 0.548 3.260 -6.745 543 2HB LEU 72 1HB LEU 72 1.133 2.687 -8.307 544 HG LEU 72 HG LEU 72 2.700 4.465 -6.415 545 1HD1 LEU 72 3HD1 LEU 72 2.272 1.617 -6.452 546 2HD1 LEU 72 2HD1 LEU 72 3.956 1.959 -6.851 547 3HD1 LEU 72 1HD1 LEU 72 3.265 2.567 -5.346 548 1HD2 LEU 72 2HD2 LEU 72 2.995 4.379 -9.080 549 2HD2 LEU 72 1HD2 LEU 72 4.382 4.495 -7.996 550 3HD2 LEU 72 3HD2 LEU 72 3.918 2.932 -8.670 551 H GLY 73 H GLY 73 -1.039 5.910 -6.774 552 1HA GLY 73 2HA GLY 73 -3.273 6.182 -8.359 553 2HA GLY 73 1HA GLY 73 -3.337 4.483 -7.876 554 H LYS 74 H LYS 74 -5.427 5.741 -6.950 555 HA LYS 74 HA LYS 74 -4.885 6.009 -4.057 556 1HB LYS 74 2HB LYS 74 -6.007 8.139 -3.841 557 2HB LYS 74 1HB LYS 74 -4.741 8.323 -5.057 558 1HG LYS 74 2HG LYS 74 -6.519 7.799 -6.806 559 2HG LYS 74 1HG LYS 74 -7.711 7.981 -5.519 560 1HD LYS 74 2HD LYS 74 -5.708 10.090 -6.382 561 2HD LYS 74 1HD LYS 74 -7.435 10.098 -6.746 562 1HE LYS 74 2HE LYS 74 -7.899 11.016 -4.746 563 2HE LYS 74 1HE LYS 74 -7.045 9.715 -3.914 564 1HZ LYS 74 3HZ LYS 74 -4.955 10.896 -4.384 565 2HZ LYS 74 2HZ LYS 74 -5.845 12.180 -5.051 566 3HZ LYS 74 1HZ LYS 74 -6.006 11.796 -3.404 567 H LEU 75 H LEU 75 -6.813 5.674 -2.782 568 HA LEU 75 HA LEU 75 -8.862 4.117 -4.233 569 1HB LEU 75 2HB LEU 75 -7.813 3.291 -2.092 570 2HB LEU 75 1HB LEU 75 -8.622 4.614 -1.253 571 HG LEU 75 HG LEU 75 -10.793 3.728 -2.320 572 1HD1 LEU 75 2HD1 LEU 75 -9.012 2.065 -3.640 573 2HD1 LEU 75 1HD1 LEU 75 -9.672 1.021 -2.381 574 3HD1 LEU 75 3HD1 LEU 75 -10.754 1.812 -3.526 575 1HD2 LEU 75 1HD2 LEU 75 -9.272 2.847 -0.006 576 2HD2 LEU 75 3HD2 LEU 75 -11.006 3.129 -0.154 577 3HD2 LEU 75 2HD2 LEU 75 -10.327 1.562 -0.594 578 H THR 76 H THR 76 -11.139 4.595 -4.017 579 HA THR 76 HA THR 76 -11.654 7.498 -3.772 580 HB THR 76 HB THR 76 -13.674 5.375 -4.507 581 HG1 THR 76 HG1 THR 76 -11.541 6.449 -5.965 582 1HG2 THR 76 3HG2 THR 76 -13.406 8.340 -4.737 583 2HG2 THR 76 2HG2 THR 76 -14.267 7.488 -6.019 584 3HG2 THR 76 1HG2 THR 76 -14.826 7.368 -4.350 585 H GLU 77 H GLU 77 -13.823 8.063 -2.650 586 HA GLU 77 HA GLU 77 -13.664 7.188 0.095 587 1HB GLU 77 2HB GLU 77 -16.110 8.530 -1.016 588 2HB GLU 77 1HB GLU 77 -15.299 8.790 0.530 589 1HG GLU 77 2HG GLU 77 -13.303 9.610 -0.959 590 2HG GLU 77 1HG GLU 77 -14.547 9.815 -2.193 591 H GLY 78 H GLY 78 -15.947 6.530 1.144 592 1HA GLY 78 2HA GLY 78 -18.004 5.149 0.162 593 2HA GLY 78 1HA GLY 78 -16.709 4.019 -0.237 594 H GLY 79 HN GLY 79 -15.079 4.267 2.012 595 1HA GLY 79 2HA GLY 79 -14.884 3.572 4.248 596 2HA GLY 79 1HA GLY 79 -16.553 4.095 4.485 No H/Q in entry = 596 Start of MODEL 6 1 1H ALA 1 1H ALA 1 -10.757 9.210 1.924 2 2H ALA 1 3H ALA 1 -11.412 10.350 0.853 3 3H ALA 1 2H ALA 1 -12.141 8.824 1.017 4 HA ALA 1 HA ALA 1 -10.899 8.021 -0.606 5 1HB ALA 1 3HB ALA 1 -10.953 10.375 -1.430 6 2HB ALA 1 2HB ALA 1 -9.453 10.687 -0.554 7 3HB ALA 1 1HB ALA 1 -9.472 9.535 -1.890 8 H ILE 2 H ILE 2 -8.876 6.938 -0.965 9 HA ILE 2 HA ILE 2 -6.904 7.254 1.262 10 HB ILE 2 HB ILE 2 -7.988 4.723 0.004 11 1HG1 ILE 2 2HG1 ILE 2 -8.025 4.358 2.683 12 2HG1 ILE 2 1HG1 ILE 2 -8.191 6.114 2.627 13 1HG2 ILE 2 3HG2 ILE 2 -5.373 5.292 1.247 14 2HG2 ILE 2 2HG2 ILE 2 -6.223 3.910 1.938 15 3HG2 ILE 2 1HG2 ILE 2 -5.859 3.950 0.212 16 1HD1 ILE 2 1HD1 ILE 2 -10.022 5.690 0.851 17 2HD1 ILE 2 3HD1 ILE 2 -10.002 4.022 1.425 18 3HD1 ILE 2 2HD1 ILE 2 -10.420 5.330 2.532 19 H ASP 3 H ASP 3 -5.490 8.508 -0.043 20 HA ASP 3 HA ASP 3 -4.737 7.874 -2.716 21 1HB ASP 3 2HB ASP 3 -4.257 10.047 -1.563 22 2HB ASP 3 1HB ASP 3 -3.026 9.220 -0.602 23 H ILE 4 H ILE 4 -3.397 6.312 -3.510 24 HA ILE 4 HA ILE 4 -2.002 4.576 -1.536 25 HB ILE 4 HB ILE 4 -2.422 4.060 -4.491 26 1HG1 ILE 4 2HG1 ILE 4 -4.188 2.451 -3.065 27 2HG1 ILE 4 1HG1 ILE 4 -4.317 4.015 -2.258 28 1HG2 ILE 4 1HG2 ILE 4 -1.239 2.620 -2.212 29 2HG2 ILE 4 3HG2 ILE 4 -2.401 1.665 -3.133 30 3HG2 ILE 4 2HG2 ILE 4 -1.003 2.373 -3.943 31 1HD1 ILE 4 2HD1 ILE 4 -4.251 4.628 -4.992 32 2HD1 ILE 4 1HD1 ILE 4 -5.301 3.216 -4.873 33 3HD1 ILE 4 3HD1 ILE 4 -5.667 4.667 -3.941 34 H LYS 5 H LYS 5 0.070 5.237 -1.183 35 HA LYS 5 HA LYS 5 1.669 6.083 -3.567 36 1HB LYS 5 2HB LYS 5 3.022 7.448 -1.986 37 2HB LYS 5 1HB LYS 5 1.334 7.960 -2.025 38 1HG LYS 5 2HG LYS 5 0.853 6.931 0.051 39 2HG LYS 5 1HG LYS 5 2.315 5.945 -0.003 40 1HD LYS 5 2HD LYS 5 3.694 7.988 0.217 41 2HD LYS 5 1HD LYS 5 2.226 8.962 0.302 42 1HE LYS 5 2HE LYS 5 2.189 8.611 2.525 43 2HE LYS 5 1HE LYS 5 1.892 6.902 2.202 44 1HZ LYS 5 1HZ LYS 5 4.573 7.247 1.763 45 2HZ LYS 5 3HZ LYS 5 4.260 8.178 3.146 46 3HZ LYS 5 2HZ LYS 5 3.859 6.528 3.126 47 H ALA 6 H ALA 6 4.071 5.635 -3.243 48 HA ALA 6 HA ALA 6 4.373 2.868 -2.294 49 1HB ALA 6 1HB ALA 6 5.587 4.453 -4.289 50 2HB ALA 6 3HB ALA 6 6.853 4.116 -3.108 51 3HB ALA 6 2HB ALA 6 5.981 2.786 -3.870 52 HA PRO 7 HA PRO 7 6.349 3.821 1.503 53 1HB PRO 7 2HB PRO 7 8.192 1.787 1.650 54 2HB PRO 7 1HB PRO 7 6.453 1.552 1.898 55 1HG PRO 7 2HG PRO 7 8.131 0.812 -0.455 56 2HG PRO 7 1HG PRO 7 6.620 0.087 0.118 57 1HD PRO 7 2HD PRO 7 6.876 1.886 -2.054 58 2HD PRO 7 1HD PRO 7 5.355 1.413 -1.261 59 H THR 8 H THR 8 8.298 4.731 2.422 60 HA THR 8 HA THR 8 10.046 6.012 0.480 61 HB THR 8 HB THR 8 10.314 5.908 3.499 62 HG1 THR 8 HG1 THR 8 8.969 7.594 3.550 63 1HG2 THR 8 3HG2 THR 8 11.379 7.815 1.398 64 2HG2 THR 8 2HG2 THR 8 11.527 8.052 3.140 65 3HG2 THR 8 1HG2 THR 8 12.332 6.688 2.364 66 H PHE 9 H PHE 9 11.601 4.799 -0.501 67 HA PHE 9 HA PHE 9 12.720 2.410 0.675 68 1HB PHE 9 2HB PHE 9 13.802 4.082 -1.615 69 2HB PHE 9 1HB PHE 9 14.216 2.402 -1.256 70 HD1 PHE 9 HD2 PHE 9 11.450 1.458 -0.431 71 HD2 PHE 9 HD1 PHE 9 12.789 3.811 -3.770 72 HE1 PHE 9 HE2 PHE 9 9.494 0.693 -1.755 73 HE2 PHE 9 HE1 PHE 9 10.834 3.046 -5.092 74 HZ PHE 9 HZ PHE 9 9.187 1.488 -4.084 75 HA PRO 10 HA PRO 10 15.957 4.181 3.056 76 1HB PRO 10 2HB PRO 10 17.678 2.038 3.070 77 2HB PRO 10 1HB PRO 10 16.189 2.104 4.028 78 1HG PRO 10 2HG PRO 10 16.753 0.557 1.541 79 2HG PRO 10 1HG PRO 10 15.599 0.210 2.841 80 1HD PRO 10 2HD PRO 10 14.968 1.321 0.313 81 2HD PRO 10 1HD PRO 10 13.896 1.274 1.733 82 H GLU 11 H GLU 11 18.504 4.355 2.947 83 HA GLU 11 HA GLU 11 19.201 5.605 0.461 84 1HB GLU 11 2HB GLU 11 21.403 5.885 1.419 85 2HB GLU 11 1HB GLU 11 20.225 6.118 2.712 86 1HG GLU 11 2HG GLU 11 20.533 3.713 3.350 87 2HG GLU 11 1HG GLU 11 21.820 3.602 2.149 88 H SER 12 H SER 12 20.116 2.461 1.882 89 HA SER 12 HA SER 12 21.932 1.498 0.055 90 1HB SER 12 2HB SER 12 21.428 -0.074 1.680 91 2HB SER 12 1HB SER 12 19.691 0.201 1.554 92 HG SER 12 HG SER 12 21.260 -0.971 -0.499 93 H ILE 13 H ILE 13 18.417 1.731 -0.417 94 HA ILE 13 HA ILE 13 18.829 0.927 -3.264 95 HB ILE 13 HB ILE 13 16.203 1.119 -1.768 96 1HG1 ILE 13 2HG1 ILE 13 17.732 -0.521 -0.690 97 2HG1 ILE 13 1HG1 ILE 13 16.365 -1.314 -1.473 98 1HG2 ILE 13 1HG2 ILE 13 17.078 0.366 -4.487 99 2HG2 ILE 13 3HG2 ILE 13 15.957 -0.770 -3.736 100 3HG2 ILE 13 2HG2 ILE 13 15.501 0.922 -3.925 101 1HD1 ILE 13 1HD1 ILE 13 18.053 -1.343 -3.545 102 2HD1 ILE 13 3HD1 ILE 13 19.248 -1.299 -2.249 103 3HD1 ILE 13 2HD1 ILE 13 18.074 -2.613 -2.322 104 H ALA 14 H ALA 14 17.795 2.232 -4.913 105 HA ALA 14 HA ALA 14 17.237 5.028 -4.003 106 1HB ALA 14 3HB ALA 14 19.329 4.373 -5.529 107 2HB ALA 14 2HB ALA 14 18.115 4.471 -6.804 108 3HB ALA 14 1HB ALA 14 18.438 5.873 -5.785 109 H ASP 15 H ASP 15 15.766 2.309 -5.159 110 HA ASP 15 HA ASP 15 13.311 3.602 -5.777 111 1HB ASP 15 2HB ASP 15 13.429 2.855 -8.319 112 2HB ASP 15 1HB ASP 15 14.034 4.435 -7.821 113 H GLY 16 H GLY 16 11.992 1.880 -7.342 114 1HA GLY 16 2HA GLY 16 12.785 -0.889 -6.689 115 2HA GLY 16 1HA GLY 16 11.286 -0.319 -5.952 116 H THR 17 H THR 17 10.242 -2.037 -7.262 117 HA THR 17 HA THR 17 9.427 -0.953 -9.887 118 HB THR 17 HB THR 17 10.746 -3.653 -9.515 119 HG1 THR 17 HG1 THR 17 11.834 -2.736 -11.454 120 1HG2 THR 17 2HG2 THR 17 8.598 -2.846 -11.315 121 2HG2 THR 17 1HG2 THR 17 10.029 -3.386 -12.192 122 3HG2 THR 17 3HG2 THR 17 9.262 -4.452 -11.015 123 H VAL 18 H VAL 18 7.253 -1.223 -10.096 124 HA VAL 18 HA VAL 18 5.549 -2.192 -8.141 125 HB VAL 18 HB VAL 18 5.107 -2.397 -11.137 126 1HG1 VAL 18 2HG1 VAL 18 3.197 -2.383 -8.780 127 2HG1 VAL 18 1HG1 VAL 18 2.696 -2.204 -10.461 128 3HG1 VAL 18 3HG1 VAL 18 3.455 -3.702 -9.922 129 1HG2 VAL 18 1HG2 VAL 18 5.732 -0.126 -9.945 130 2HG2 VAL 18 3HG2 VAL 18 4.399 -0.173 -11.099 131 3HG2 VAL 18 2HG2 VAL 18 4.067 -0.203 -9.366 132 H ALA 19 H ALA 19 4.254 -4.222 -8.059 133 HA ALA 19 HA ALA 19 5.950 -6.555 -8.831 134 1HB ALA 19 1HB ALA 19 4.857 -5.874 -6.377 135 2HB ALA 19 3HB ALA 19 3.725 -7.077 -6.995 136 3HB ALA 19 2HB ALA 19 5.434 -7.479 -6.829 137 H THR 20 H THR 20 2.461 -6.280 -8.125 138 HA THR 20 HA THR 20 1.746 -6.904 -10.893 139 HB THR 20 HB THR 20 1.447 -8.971 -8.698 140 HG1 THR 20 HG1 THR 20 2.582 -10.226 -10.193 141 1HG2 THR 20 2HG2 THR 20 -0.660 -8.695 -9.998 142 2HG2 THR 20 1HG2 THR 20 0.248 -8.985 -11.481 143 3HG2 THR 20 3HG2 THR 20 0.102 -10.261 -10.273 144 H TRP 21 H TRP 21 -0.261 -6.047 -11.272 145 HA TRP 21 HA TRP 21 -1.770 -5.000 -8.973 146 1HB TRP 21 2HB TRP 21 -1.697 -4.549 -11.920 147 2HB TRP 21 1HB TRP 21 -3.215 -4.233 -11.084 148 HD1 TRP 21 HD1 TRP 21 0.244 -2.866 -11.598 149 HE1 TRP 21 HE1 TRP 21 0.499 -0.650 -10.292 150 HE3 TRP 21 HE3 TRP 21 -4.038 -2.963 -8.816 151 HZ2 TRP 21 HZ2 TRP 21 -0.898 0.860 -8.358 152 HZ3 TRP 21 HZ3 TRP 21 -4.554 -1.113 -7.242 153 HH2 TRP 21 HH2 TRP 21 -2.988 0.800 -7.009 154 H HIS 22 H HIS 22 -2.546 -7.051 -8.150 155 HA HIS 22 HA HIS 22 -3.818 -9.131 -9.461 156 1HB HIS 22 2HB HIS 22 -5.261 -8.009 -7.080 157 2HB HIS 22 1HB HIS 22 -4.869 -9.689 -7.461 158 HD1 HIS 22 HD1 HIS 22 -3.310 -6.512 -6.166 159 HD2 HIS 22 HD2 HIS 22 -2.349 -10.550 -6.526 160 HE1 HIS 22 HE1 HIS 22 -1.116 -6.830 -4.976 161 H LYS 23 H LYS 23 -5.782 -6.459 -8.110 162 HA LYS 23 HA LYS 23 -7.765 -6.961 -10.263 163 1HB LYS 23 2HB LYS 23 -7.838 -5.678 -7.562 164 2HB LYS 23 1HB LYS 23 -8.997 -5.127 -8.772 165 1HG LYS 23 2HG LYS 23 -8.675 -8.069 -8.523 166 2HG LYS 23 1HG LYS 23 -9.453 -7.256 -7.165 167 1HD LYS 23 2HD LYS 23 -11.206 -6.429 -8.506 168 2HD LYS 23 1HD LYS 23 -10.304 -6.685 -10.000 169 1HE LYS 23 2HE LYS 23 -10.614 -9.171 -8.531 170 2HE LYS 23 1HE LYS 23 -12.180 -8.432 -8.865 171 1HZ LYS 23 3HZ LYS 23 -11.417 -8.169 -11.203 172 2HZ LYS 23 2HZ LYS 23 -10.053 -9.107 -10.819 173 3HZ LYS 23 1HZ LYS 23 -11.608 -9.782 -10.712 174 H LYS 24 H LYS 24 -8.926 -4.648 -10.787 175 HA LYS 24 HA LYS 24 -6.713 -2.786 -11.560 176 1HB LYS 24 2HB LYS 24 -8.678 -4.165 -13.195 177 2HB LYS 24 1HB LYS 24 -8.824 -2.416 -13.375 178 1HG LYS 24 2HG LYS 24 -6.295 -2.362 -13.688 179 2HG LYS 24 1HG LYS 24 -6.365 -4.120 -13.820 180 1HD LYS 24 2HD LYS 24 -8.037 -3.860 -15.671 181 2HD LYS 24 1HD LYS 24 -7.783 -2.115 -15.596 182 1HE LYS 24 2HE LYS 24 -6.185 -2.560 -17.170 183 2HE LYS 24 1HE LYS 24 -5.210 -2.958 -15.755 184 1HZ LYS 24 1HZ LYS 24 -6.827 -5.159 -16.514 185 2HZ LYS 24 3HZ LYS 24 -5.891 -4.640 -17.829 186 3HZ LYS 24 2HZ LYS 24 -5.137 -5.068 -16.369 187 HA PRO 25 HA PRO 25 -9.074 0.488 -9.851 188 1HB PRO 25 2HB PRO 25 -8.697 2.490 -11.700 189 2HB PRO 25 1HB PRO 25 -7.441 1.948 -10.572 190 1HG PRO 25 2HG PRO 25 -7.706 1.397 -13.496 191 2HG PRO 25 1HG PRO 25 -6.245 1.482 -12.498 192 1HD PRO 25 2HD PRO 25 -7.493 -0.893 -13.362 193 2HD PRO 25 1HD PRO 25 -6.293 -0.771 -12.059 194 H GLY 26 H GLY 26 -11.231 1.097 -9.839 195 1HA GLY 26 2HA GLY 26 -13.256 1.906 -10.911 196 2HA GLY 26 1HA GLY 26 -12.696 1.193 -12.428 197 H GLU 27 H GLU 27 -12.210 -0.821 -9.719 198 HA GLU 27 HA GLU 27 -14.610 -2.425 -10.506 199 1HB GLU 27 2HB GLU 27 -11.997 -3.356 -9.274 200 2HB GLU 27 1HB GLU 27 -13.349 -4.395 -9.726 201 1HG GLU 27 2HG GLU 27 -12.558 -2.652 -11.921 202 2HG GLU 27 1HG GLU 27 -11.218 -3.661 -11.374 203 H ALA 28 H ALA 28 -14.872 -4.114 -8.414 204 HA ALA 28 HA ALA 28 -15.755 -2.304 -6.265 205 1HB ALA 28 1HB ALA 28 -16.597 -4.828 -7.292 206 2HB ALA 28 3HB ALA 28 -16.153 -5.061 -5.601 207 3HB ALA 28 2HB ALA 28 -17.365 -3.858 -6.036 208 H VAL 29 H VAL 29 -14.833 -2.211 -4.225 209 HA VAL 29 HA VAL 29 -12.419 -3.925 -3.792 210 HB VAL 29 HB VAL 29 -12.962 -1.057 -2.982 211 1HG1 VAL 29 1HG1 VAL 29 -11.410 -3.077 -1.634 212 2HG1 VAL 29 3HG1 VAL 29 -10.329 -1.849 -2.290 213 3HG1 VAL 29 2HG1 VAL 29 -11.630 -1.383 -1.197 214 1HG2 VAL 29 3HG2 VAL 29 -11.784 -2.177 -5.250 215 2HG2 VAL 29 2HG2 VAL 29 -11.586 -0.515 -4.695 216 3HG2 VAL 29 1HG2 VAL 29 -10.411 -1.745 -4.231 217 H LYS 30 H LYS 30 -12.235 -4.929 -1.780 218 HA LYS 30 HA LYS 30 -14.409 -4.382 0.193 219 1HB LYS 30 2HB LYS 30 -14.774 -6.488 -1.224 220 2HB LYS 30 1HB LYS 30 -13.367 -7.158 -0.399 221 1HG LYS 30 2HG LYS 30 -14.507 -6.642 1.792 222 2HG LYS 30 1HG LYS 30 -15.949 -6.213 0.871 223 1HD LYS 30 2HD LYS 30 -16.480 -8.413 1.092 224 2HD LYS 30 1HD LYS 30 -15.320 -8.647 -0.218 225 1HE LYS 30 2HE LYS 30 -13.741 -9.548 1.163 226 2HE LYS 30 1HE LYS 30 -14.150 -8.471 2.497 227 1HZ LYS 30 3HZ LYS 30 -16.350 -10.105 2.079 228 2HZ LYS 30 2HZ LYS 30 -14.991 -11.125 2.049 229 3HZ LYS 30 1HZ LYS 30 -15.281 -10.130 3.395 230 H ARG 31 H ARG 31 -13.582 -3.992 2.191 231 HA ARG 31 HA ARG 31 -10.926 -3.724 2.852 232 1HB ARG 31 2HB ARG 31 -13.291 -3.584 4.257 233 2HB ARG 31 1HB ARG 31 -12.463 -4.924 5.053 234 1HG ARG 31 2HG ARG 31 -10.894 -2.448 4.446 235 2HG ARG 31 1HG ARG 31 -12.018 -2.415 5.805 236 1HD ARG 31 2HD ARG 31 -9.973 -4.613 5.442 237 2HD ARG 31 1HD ARG 31 -9.635 -3.145 6.358 238 HE ARG 31 HE ARG 31 -11.861 -5.011 7.086 239 1HH1 ARG 31 2HH1 ARG 31 -11.655 -2.328 8.445 240 2HH1 ARG 31 1HH1 ARG 31 -10.765 -2.725 9.877 241 1HH2 ARG 31 1HH2 ARG 31 -9.666 -5.782 8.668 242 2HH2 ARG 31 2HH2 ARG 31 -9.640 -4.680 10.004 243 H ASP 32 H ASP 32 -9.299 -5.080 3.732 244 HA ASP 32 HA ASP 32 -8.198 -7.106 4.211 245 1HB ASP 32 2HB ASP 32 -10.546 -7.591 5.298 246 2HB ASP 32 1HB ASP 32 -10.773 -8.620 3.883 247 H GLU 33 H GLU 33 -8.857 -6.039 1.470 248 HA GLU 33 HA GLU 33 -8.420 -8.602 -0.012 249 1HB GLU 33 2HB GLU 33 -10.698 -7.468 -0.372 250 2HB GLU 33 1HB GLU 33 -9.804 -6.185 -1.188 251 1HG GLU 33 2HG GLU 33 -9.345 -9.053 -1.964 252 2HG GLU 33 1HG GLU 33 -10.738 -8.180 -2.605 253 H LEU 34 H LEU 34 -6.292 -8.547 -0.577 254 HA LEU 34 HA LEU 34 -4.537 -6.430 -0.672 255 1HB LEU 34 2HB LEU 34 -3.908 -8.803 -1.075 256 2HB LEU 34 1HB LEU 34 -4.609 -8.690 -2.690 257 HG LEU 34 HG LEU 34 -3.029 -6.902 -3.272 258 1HD1 LEU 34 1HD1 LEU 34 -2.721 -6.807 -0.413 259 2HD1 LEU 34 3HD1 LEU 34 -1.147 -7.096 -1.155 260 3HD1 LEU 34 2HD1 LEU 34 -2.097 -5.687 -1.624 261 1HD2 LEU 34 3HD2 LEU 34 -2.386 -9.301 -3.581 262 2HD2 LEU 34 2HD2 LEU 34 -0.995 -8.250 -3.313 263 3HD2 LEU 34 1HD2 LEU 34 -1.602 -9.260 -2.001 264 H ILE 35 H ILE 35 -3.631 -5.244 -2.604 265 HA ILE 35 HA ILE 35 -5.668 -4.767 -4.726 266 HB ILE 35 HB ILE 35 -4.364 -2.676 -2.967 267 1HG1 ILE 35 2HG1 ILE 35 -7.240 -3.371 -3.643 268 2HG1 ILE 35 1HG1 ILE 35 -6.440 -3.619 -2.091 269 1HG2 ILE 35 2HG2 ILE 35 -5.924 -2.307 -5.543 270 2HG2 ILE 35 1HG2 ILE 35 -5.398 -1.008 -4.472 271 3HG2 ILE 35 3HG2 ILE 35 -4.204 -1.983 -5.327 272 1HD1 ILE 35 3HD1 ILE 35 -5.966 -1.040 -2.235 273 2HD1 ILE 35 2HD1 ILE 35 -7.307 -1.048 -3.381 274 3HD1 ILE 35 1HD1 ILE 35 -7.559 -1.602 -1.725 275 H VAL 36 H VAL 36 -2.354 -4.010 -3.613 276 HA VAL 36 HA VAL 36 -1.359 -4.675 -6.313 277 HB VAL 36 HB VAL 36 -1.896 -2.229 -6.366 278 1HG1 VAL 36 3HG1 VAL 36 0.189 -2.150 -4.164 279 2HG1 VAL 36 2HG1 VAL 36 -0.433 -0.731 -5.005 280 3HG1 VAL 36 1HG1 VAL 36 -1.512 -1.710 -4.011 281 1HG2 VAL 36 3HG2 VAL 36 0.152 -3.442 -7.499 282 2HG2 VAL 36 2HG2 VAL 36 0.060 -1.682 -7.520 283 3HG2 VAL 36 1HG2 VAL 36 1.097 -2.496 -6.350 284 H ASP 37 H ASP 37 0.931 -5.116 -6.304 285 HA ASP 37 HA ASP 37 2.037 -5.479 -3.549 286 1HB ASP 37 2HB ASP 37 2.125 -7.157 -6.022 287 2HB ASP 37 1HB ASP 37 3.535 -7.181 -4.961 288 H ILE 38 H ILE 38 4.277 -4.976 -3.242 289 HA ILE 38 HA ILE 38 5.411 -3.222 -5.387 290 HB ILE 38 HB ILE 38 6.008 -3.090 -2.418 291 1HG1 ILE 38 2HG1 ILE 38 4.468 -0.888 -3.560 292 2HG1 ILE 38 1HG1 ILE 38 3.599 -2.419 -3.659 293 1HG2 ILE 38 2HG2 ILE 38 7.044 -1.801 -4.818 294 2HG2 ILE 38 1HG2 ILE 38 6.418 -0.621 -3.665 295 3HG2 ILE 38 3HG2 ILE 38 7.670 -1.759 -3.169 296 1HD1 ILE 38 2HD1 ILE 38 4.953 -2.015 -1.086 297 2HD1 ILE 38 1HD1 ILE 38 3.712 -0.808 -1.422 298 3HD1 ILE 38 3HD1 ILE 38 3.297 -2.522 -1.417 299 H GLU 39 H GLU 39 7.604 -3.512 -5.921 300 HA GLU 39 HA GLU 39 8.892 -5.923 -4.702 301 1HB GLU 39 2HB GLU 39 8.164 -5.551 -7.356 302 2HB GLU 39 1HB GLU 39 9.882 -5.151 -7.346 303 1HG GLU 39 2HG GLU 39 9.377 -7.497 -5.722 304 2HG GLU 39 1HG GLU 39 8.752 -7.728 -7.355 305 H THR 40 H THR 40 11.084 -5.742 -4.152 306 HA THR 40 HA THR 40 12.382 -3.104 -4.662 307 HB THR 40 HB THR 40 12.394 -4.557 -1.998 308 HG1 THR 40 HG1 THR 40 11.100 -2.164 -2.800 309 1HG2 THR 40 3HG2 THR 40 13.597 -1.968 -2.991 310 2HG2 THR 40 2HG2 THR 40 13.371 -2.311 -1.276 311 3HG2 THR 40 1HG2 THR 40 14.427 -3.336 -2.248 312 H ASP 41 H ASP 41 14.792 -3.246 -4.248 313 HA ASP 41 HA ASP 41 16.073 -5.157 -5.757 314 1HB ASP 41 2HB ASP 41 17.100 -3.107 -4.636 315 2HB ASP 41 1HB ASP 41 17.280 -4.102 -3.190 316 H LYS 42 H LYS 42 15.101 -5.457 -2.368 317 HA LYS 42 HA LYS 42 15.246 -8.374 -2.586 318 1HB LYS 42 2HB LYS 42 17.180 -6.788 -0.906 319 2HB LYS 42 1HB LYS 42 16.688 -8.409 -0.413 320 1HG LYS 42 2HG LYS 42 17.257 -8.946 -2.971 321 2HG LYS 42 1HG LYS 42 18.321 -7.554 -2.760 322 1HD LYS 42 2HD LYS 42 19.643 -8.625 -1.195 323 2HD LYS 42 1HD LYS 42 18.325 -9.654 -0.632 324 1HE LYS 42 2HE LYS 42 19.714 -11.139 -1.830 325 2HE LYS 42 1HE LYS 42 18.440 -10.739 -2.982 326 1HZ LYS 42 2HZ LYS 42 20.093 -8.817 -3.573 327 2HZ LYS 42 1HZ LYS 42 21.244 -9.893 -2.937 328 3HZ LYS 42 3HZ LYS 42 20.278 -10.365 -4.250 329 H VAL 43 H VAL 43 13.266 -6.217 -2.000 330 HA VAL 43 HA VAL 43 12.237 -7.395 0.528 331 HB VAL 43 HB VAL 43 12.162 -4.413 0.021 332 1HG1 VAL 43 3HG1 VAL 43 10.468 -5.383 1.553 333 2HG1 VAL 43 2HG1 VAL 43 11.763 -6.096 2.514 334 3HG1 VAL 43 1HG1 VAL 43 11.603 -4.342 2.413 335 1HG2 VAL 43 1HG2 VAL 43 14.327 -6.128 1.072 336 2HG2 VAL 43 3HG2 VAL 43 14.401 -4.482 0.444 337 3HG2 VAL 43 2HG2 VAL 43 13.902 -4.767 2.111 338 H VAL 44 H VAL 44 10.255 -8.174 0.014 339 HA VAL 44 HA VAL 44 8.700 -6.773 -2.116 340 HB VAL 44 HB VAL 44 8.370 -9.583 -1.018 341 1HG1 VAL 44 2HG1 VAL 44 6.978 -7.974 -3.154 342 2HG1 VAL 44 1HG1 VAL 44 7.032 -9.735 -3.246 343 3HG1 VAL 44 3HG1 VAL 44 6.267 -8.947 -1.866 344 1HG2 VAL 44 2HG2 VAL 44 9.658 -8.520 -3.551 345 2HG2 VAL 44 1HG2 VAL 44 10.450 -9.418 -2.255 346 3HG2 VAL 44 3HG2 VAL 44 9.264 -10.219 -3.287 347 H MET 45 H MET 45 6.953 -5.618 -1.456 348 HA MET 45 HA MET 45 5.801 -6.262 1.229 349 1HB MET 45 2HB MET 45 6.288 -3.649 -0.179 350 2HB MET 45 1HB MET 45 5.002 -3.775 1.022 351 1HG MET 45 2HG MET 45 6.474 -4.090 2.768 352 2HG MET 45 1HG MET 45 7.674 -4.887 1.750 353 1HE MET 45 3HE MET 45 5.891 -1.714 2.742 354 2HE MET 45 2HE MET 45 7.219 -1.941 3.878 355 3HE MET 45 1HE MET 45 7.202 -0.528 2.825 356 H GLU 46 H GLU 46 3.442 -5.002 1.188 357 HA GLU 46 HA GLU 46 2.071 -5.716 -1.354 358 1HB GLU 46 2HB GLU 46 0.249 -6.803 0.059 359 2HB GLU 46 1HB GLU 46 1.760 -7.707 -0.053 360 1HG GLU 46 2HG GLU 46 2.153 -6.004 2.122 361 2HG GLU 46 1HG GLU 46 0.481 -6.540 2.292 362 H VAL 47 H VAL 47 -0.273 -4.895 -1.262 363 HA VAL 47 HA VAL 47 -0.597 -2.579 0.573 364 HB VAL 47 HB VAL 47 -0.686 -2.458 -2.454 365 1HG1 VAL 47 1HG1 VAL 47 -1.667 -0.491 -0.368 366 2HG1 VAL 47 3HG1 VAL 47 -1.380 -0.061 -2.053 367 3HG1 VAL 47 2HG1 VAL 47 -2.615 -1.253 -1.645 368 1HG2 VAL 47 1HG2 VAL 47 1.400 -2.036 -0.713 369 2HG2 VAL 47 3HG2 VAL 47 1.260 -1.286 -2.303 370 3HG2 VAL 47 2HG2 VAL 47 0.728 -0.413 -0.866 371 H LEU 48 H LEU 48 -2.433 -3.353 1.585 372 HA LEU 48 HA LEU 48 -4.632 -4.388 -0.119 373 1HB LEU 48 2HB LEU 48 -5.481 -4.735 2.448 374 2HB LEU 48 1HB LEU 48 -4.592 -5.946 1.536 375 HG LEU 48 HG LEU 48 -3.206 -3.843 3.205 376 1HD1 LEU 48 2HD1 LEU 48 -4.550 -6.374 4.010 377 2HD1 LEU 48 1HD1 LEU 48 -2.951 -6.076 4.693 378 3HD1 LEU 48 3HD1 LEU 48 -4.251 -4.912 4.948 379 1HD2 LEU 48 1HD2 LEU 48 -2.242 -5.565 1.309 380 2HD2 LEU 48 3HD2 LEU 48 -1.290 -4.962 2.666 381 3HD2 LEU 48 2HD2 LEU 48 -2.069 -6.540 2.768 382 H ALA 49 H ALA 49 -6.875 -3.678 0.607 383 HA ALA 49 HA ALA 49 -6.894 -0.750 0.820 384 1HB ALA 49 3HB ALA 49 -8.529 -2.573 -0.439 385 2HB ALA 49 2HB ALA 49 -9.475 -2.155 0.990 386 3HB ALA 49 1HB ALA 49 -8.955 -0.891 -0.125 387 H GLU 50 H GLU 50 -8.166 0.370 2.483 388 HA GLU 50 HA GLU 50 -8.060 -1.091 5.080 389 1HB GLU 50 2HB GLU 50 -7.333 1.570 4.253 390 2HB GLU 50 1HB GLU 50 -8.583 1.664 5.495 391 1HG GLU 50 2HG GLU 50 -6.199 -0.157 5.813 392 2HG GLU 50 1HG GLU 50 -6.125 1.540 6.289 393 H ALA 51 H ALA 51 -10.272 -0.605 2.777 394 HA ALA 51 HA ALA 51 -12.532 -1.159 4.358 395 1HB ALA 51 1HB ALA 51 -11.938 1.766 4.021 396 2HB ALA 51 3HB ALA 51 -13.614 1.220 4.059 397 3HB ALA 51 2HB ALA 51 -12.556 0.912 5.435 398 H ASP 52 H ASP 52 -14.570 -0.970 3.081 399 HA ASP 52 HA ASP 52 -14.189 -1.704 0.360 400 1HB ASP 52 2HB ASP 52 -16.219 -2.459 1.129 401 2HB ASP 52 1HB ASP 52 -16.531 -1.010 2.079 402 H GLY 53 H GLY 53 -15.304 -0.449 -1.479 403 1HA GLY 53 2HA GLY 53 -15.911 2.146 -1.793 404 2HA GLY 53 1HA GLY 53 -14.180 2.292 -1.465 405 H VAL 54 H VAL 54 -14.164 3.202 -3.722 406 HA VAL 54 HA VAL 54 -13.845 0.973 -5.679 407 HB VAL 54 HB VAL 54 -15.309 3.591 -6.072 408 1HG1 VAL 54 1HG1 VAL 54 -13.826 1.894 -8.014 409 2HG1 VAL 54 3HG1 VAL 54 -15.434 2.428 -8.506 410 3HG1 VAL 54 2HG1 VAL 54 -14.201 3.615 -8.082 411 1HG2 VAL 54 3HG2 VAL 54 -16.147 1.003 -5.458 412 2HG2 VAL 54 2HG2 VAL 54 -17.161 2.292 -6.105 413 3HG2 VAL 54 1HG2 VAL 54 -16.408 1.130 -7.198 414 H ILE 55 H ILE 55 -11.775 0.987 -6.366 415 HA ILE 55 HA ILE 55 -9.809 2.848 -5.769 416 HB ILE 55 HB ILE 55 -9.845 1.424 -8.424 417 1HG1 ILE 55 2HG1 ILE 55 -8.661 -0.323 -6.678 418 2HG1 ILE 55 1HG1 ILE 55 -9.964 0.325 -5.687 419 1HG2 ILE 55 2HG2 ILE 55 -7.859 2.674 -6.632 420 2HG2 ILE 55 1HG2 ILE 55 -7.391 1.089 -7.249 421 3HG2 ILE 55 3HG2 ILE 55 -7.784 2.392 -8.371 422 1HD1 ILE 55 3HD1 ILE 55 -10.945 -0.190 -8.340 423 2HD1 ILE 55 2HD1 ILE 55 -10.161 -1.639 -7.712 424 3HD1 ILE 55 1HD1 ILE 55 -11.479 -0.888 -6.812 425 H ALA 56 H ALA 56 -8.612 4.218 -7.554 426 HA ALA 56 HA ALA 56 -10.696 5.882 -8.907 427 1HB ALA 56 2HB ALA 56 -9.312 6.954 -7.067 428 2HB ALA 56 1HB ALA 56 -7.906 6.753 -8.114 429 3HB ALA 56 3HB ALA 56 -9.246 7.779 -8.624 430 H GLU 57 H GLU 57 -7.203 5.141 -9.270 431 HA GLU 57 HA GLU 57 -7.409 3.992 -11.852 432 1HB GLU 57 2HB GLU 57 -7.846 6.797 -11.880 433 2HB GLU 57 1HB GLU 57 -6.238 6.526 -12.553 434 1HG GLU 57 2HG GLU 57 -7.564 4.548 -13.812 435 2HG GLU 57 1HG GLU 57 -8.895 5.686 -13.598 436 H ILE 58 H ILE 58 -5.411 3.156 -12.400 437 HA ILE 58 HA ILE 58 -3.164 3.842 -10.588 438 HB ILE 58 HB ILE 58 -3.357 1.622 -12.646 439 1HG1 ILE 58 2HG1 ILE 58 -5.102 1.243 -11.041 440 2HG1 ILE 58 1HG1 ILE 58 -3.754 0.206 -10.561 441 1HG2 ILE 58 3HG2 ILE 58 -1.070 2.353 -11.845 442 2HG2 ILE 58 2HG2 ILE 58 -1.567 1.892 -10.216 443 3HG2 ILE 58 1HG2 ILE 58 -1.468 0.672 -11.487 444 1HD1 ILE 58 3HD1 ILE 58 -3.016 2.076 -9.009 445 2HD1 ILE 58 2HD1 ILE 58 -4.553 2.867 -9.356 446 3HD1 ILE 58 1HD1 ILE 58 -4.530 1.291 -8.564 447 H VAL 59 H VAL 59 -1.483 5.074 -11.294 448 HA VAL 59 HA VAL 59 -1.463 5.927 -14.122 449 HB VAL 59 HB VAL 59 0.237 6.803 -11.766 450 1HG1 VAL 59 3HG1 VAL 59 0.253 7.427 -14.662 451 2HG1 VAL 59 2HG1 VAL 59 0.317 8.826 -13.589 452 3HG1 VAL 59 1HG1 VAL 59 1.548 7.568 -13.473 453 1HG2 VAL 59 1HG2 VAL 59 -2.166 7.359 -11.541 454 2HG2 VAL 59 3HG2 VAL 59 -1.199 8.810 -11.810 455 3HG2 VAL 59 2HG2 VAL 59 -2.136 8.117 -13.134 456 H LYS 60 H LYS 60 0.490 4.049 -11.860 457 HA LYS 60 HA LYS 60 2.540 3.621 -13.968 458 1HB LYS 60 2HB LYS 60 2.559 3.684 -11.085 459 2HB LYS 60 1HB LYS 60 3.168 2.128 -11.647 460 1HG LYS 60 2HG LYS 60 4.827 3.195 -13.037 461 2HG LYS 60 1HG LYS 60 4.129 4.786 -12.735 462 1HD LYS 60 2HD LYS 60 5.333 2.997 -10.602 463 2HD LYS 60 1HD LYS 60 6.157 4.366 -11.350 464 1HE LYS 60 2HE LYS 60 5.114 5.813 -9.978 465 2HE LYS 60 1HE LYS 60 3.537 5.172 -10.439 466 1HZ LYS 60 3HZ LYS 60 3.875 3.359 -8.852 467 2HZ LYS 60 2HZ LYS 60 5.354 4.046 -8.378 468 3HZ LYS 60 1HZ LYS 60 3.899 4.874 -8.090 469 H ASN 61 H ASN 61 2.963 1.540 -14.801 470 HA ASN 61 HA ASN 61 0.813 -0.464 -14.258 471 1HB ASN 61 2HB ASN 61 2.614 -0.204 -16.686 472 2HB ASN 61 1HB ASN 61 1.286 -1.349 -16.494 473 1HD2 ASN 61 2HD2 ASN 61 0.423 2.609 -17.192 474 2HD2 ASN 61 1HD2 ASN 61 1.971 2.176 -16.621 475 H GLU 62 H GLU 62 1.622 -2.797 -14.598 476 HA GLU 62 HA GLU 62 3.752 -3.324 -12.756 477 1HB GLU 62 2HB GLU 62 2.647 -5.201 -14.867 478 2HB GLU 62 1HB GLU 62 3.475 -5.654 -13.377 479 1HG GLU 62 2HG GLU 62 1.675 -4.856 -12.019 480 2HG GLU 62 1HG GLU 62 0.916 -4.039 -13.389 481 H GLY 63 H GLY 63 5.879 -4.132 -13.182 482 1HA GLY 63 2HA GLY 63 7.802 -4.569 -14.514 483 2HA GLY 63 1HA GLY 63 6.856 -4.180 -15.956 484 H ASP 64 H ASP 64 6.355 -1.785 -13.672 485 HA ASP 64 HA ASP 64 8.360 -0.050 -15.036 486 1HB ASP 64 2HB ASP 64 6.364 1.037 -15.389 487 2HB ASP 64 1HB ASP 64 5.623 0.400 -13.921 488 H THR 65 H THR 65 9.151 1.784 -13.554 489 HA THR 65 HA THR 65 10.081 0.530 -11.019 490 HB THR 65 HB THR 65 11.715 1.500 -12.724 491 HG1 THR 65 HG1 THR 65 12.944 2.473 -11.057 492 1HG2 THR 65 1HG2 THR 65 10.361 3.501 -13.270 493 2HG2 THR 65 3HG2 THR 65 10.606 4.099 -11.629 494 3HG2 THR 65 2HG2 THR 65 11.980 3.937 -12.723 495 H VAL 66 H VAL 66 9.993 1.765 -9.031 496 HA VAL 66 HA VAL 66 7.985 3.984 -9.088 497 HB VAL 66 HB VAL 66 7.241 3.161 -6.839 498 1HG1 VAL 66 1HG1 VAL 66 6.716 2.064 -9.419 499 2HG1 VAL 66 3HG1 VAL 66 6.706 0.732 -8.263 500 3HG1 VAL 66 2HG1 VAL 66 5.640 2.116 -8.023 501 1HG2 VAL 66 3HG2 VAL 66 9.006 0.797 -7.560 502 2HG2 VAL 66 2HG2 VAL 66 9.310 1.945 -6.256 503 3HG2 VAL 66 1HG2 VAL 66 7.912 0.874 -6.178 504 H LEU 67 H LEU 67 8.558 5.805 -7.938 505 HA LEU 67 HA LEU 67 11.275 5.822 -6.760 506 1HB LEU 67 2HB LEU 67 9.910 7.645 -8.320 507 2HB LEU 67 1HB LEU 67 9.739 8.327 -6.702 508 HG LEU 67 HG LEU 67 12.418 7.414 -6.932 509 1HD1 LEU 67 2HD1 LEU 67 11.547 7.800 -9.478 510 2HD1 LEU 67 1HD1 LEU 67 12.064 9.437 -9.070 511 3HD1 LEU 67 3HD1 LEU 67 13.208 8.098 -8.965 512 1HD2 LEU 67 3HD2 LEU 67 11.167 10.178 -6.976 513 2HD2 LEU 67 2HD2 LEU 67 11.692 9.285 -5.548 514 3HD2 LEU 67 1HD2 LEU 67 12.882 9.868 -6.711 515 H SER 68 H SER 68 11.564 6.976 -4.643 516 HA SER 68 HA SER 68 10.014 5.825 -2.580 517 1HB SER 68 2HB SER 68 12.273 6.826 -2.258 518 2HB SER 68 1HB SER 68 11.570 8.428 -2.461 519 HG SER 68 HG SER 68 11.046 8.323 -0.439 520 H GLY 69 H GLY 69 7.959 6.257 -1.954 521 1HA GLY 69 2HA GLY 69 5.981 7.455 -1.535 522 2HA GLY 69 1HA GLY 69 6.940 8.932 -1.642 523 H GLU 70 H GLU 70 6.651 6.500 -4.195 524 HA GLU 70 HA GLU 70 5.865 8.582 -6.094 525 1HB GLU 70 2HB GLU 70 7.374 6.553 -6.576 526 2HB GLU 70 1HB GLU 70 5.886 5.607 -6.621 527 1HG GLU 70 2HG GLU 70 6.530 6.373 -8.883 528 2HG GLU 70 1HG GLU 70 4.991 7.074 -8.383 529 H LEU 71 H LEU 71 3.811 8.941 -6.886 530 HA LEU 71 HA LEU 71 1.576 7.745 -5.441 531 1HB LEU 71 2HB LEU 71 1.504 10.105 -6.131 532 2HB LEU 71 1HB LEU 71 1.618 9.623 -7.823 533 HG LEU 71 HG LEU 71 -0.557 8.414 -6.167 534 1HD1 LEU 71 1HD1 LEU 71 -0.487 10.930 -5.718 535 2HD1 LEU 71 3HD1 LEU 71 -0.842 11.147 -7.433 536 3HD1 LEU 71 2HD1 LEU 71 -1.995 10.309 -6.393 537 1HD2 LEU 71 2HD2 LEU 71 0.218 8.469 -8.877 538 2HD2 LEU 71 1HD2 LEU 71 -1.269 7.789 -8.215 539 3HD2 LEU 71 3HD2 LEU 71 -1.240 9.458 -8.784 540 H LEU 72 H LEU 72 0.755 5.790 -5.994 541 HA LEU 72 HA LEU 72 1.140 4.819 -8.780 542 1HB LEU 72 2HB LEU 72 0.003 3.184 -6.519 543 2HB LEU 72 1HB LEU 72 0.887 2.635 -7.942 544 HG LEU 72 HG LEU 72 2.593 4.439 -6.570 545 1HD1 LEU 72 2HD1 LEU 72 1.137 2.485 -4.783 546 2HD1 LEU 72 1HD1 LEU 72 2.759 3.061 -4.400 547 3HD1 LEU 72 3HD1 LEU 72 1.421 4.204 -4.516 548 1HD2 LEU 72 2HD2 LEU 72 2.676 1.935 -7.797 549 2HD2 LEU 72 1HD2 LEU 72 4.045 2.779 -7.073 550 3HD2 LEU 72 3HD2 LEU 72 3.134 1.602 -6.127 551 H GLY 73 H GLY 73 -1.244 6.150 -6.724 552 1HA GLY 73 2HA GLY 73 -3.245 6.518 -8.568 553 2HA GLY 73 1HA GLY 73 -3.536 4.867 -8.010 554 H LYS 74 H LYS 74 -5.612 6.032 -7.276 555 HA LYS 74 HA LYS 74 -5.273 6.711 -4.420 556 1HB LYS 74 2HB LYS 74 -6.969 8.671 -4.890 557 2HB LYS 74 1HB LYS 74 -5.241 8.931 -5.138 558 1HG LYS 74 2HG LYS 74 -5.592 8.244 -7.555 559 2HG LYS 74 1HG LYS 74 -7.326 8.307 -7.241 560 1HD LYS 74 2HD LYS 74 -5.740 10.677 -6.395 561 2HD LYS 74 1HD LYS 74 -5.941 10.441 -8.132 562 1HE LYS 74 2HE LYS 74 -8.359 10.374 -7.896 563 2HE LYS 74 1HE LYS 74 -8.225 10.440 -6.139 564 1HZ LYS 74 1HZ LYS 74 -6.815 12.561 -7.455 565 2HZ LYS 74 3HZ LYS 74 -8.477 12.580 -7.792 566 3HZ LYS 74 2HZ LYS 74 -7.937 12.632 -6.182 567 H LEU 75 H LEU 75 -7.256 6.425 -3.224 568 HA LEU 75 HA LEU 75 -9.246 4.764 -4.697 569 1HB LEU 75 2HB LEU 75 -8.000 3.889 -2.622 570 2HB LEU 75 1HB LEU 75 -8.994 5.015 -1.697 571 HG LEU 75 HG LEU 75 -10.694 3.599 -3.515 572 1HD1 LEU 75 3HD1 LEU 75 -8.823 1.908 -3.445 573 2HD1 LEU 75 2HD1 LEU 75 -9.074 1.787 -1.703 574 3HD1 LEU 75 1HD1 LEU 75 -10.357 1.308 -2.815 575 1HD2 LEU 75 3HD2 LEU 75 -11.020 4.674 -1.142 576 2HD2 LEU 75 2HD2 LEU 75 -11.960 3.247 -1.576 577 3HD2 LEU 75 1HD2 LEU 75 -10.531 3.084 -0.555 578 H THR 76 H THR 76 -11.534 5.124 -4.220 579 HA THR 76 HA THR 76 -12.098 7.997 -3.758 580 HB THR 76 HB THR 76 -14.106 5.874 -4.520 581 HG1 THR 76 HG1 THR 76 -13.468 6.981 -6.689 582 1HG2 THR 76 3HG2 THR 76 -13.910 8.870 -4.667 583 2HG2 THR 76 2HG2 THR 76 -14.962 7.996 -5.779 584 3HG2 THR 76 1HG2 THR 76 -15.224 7.874 -4.040 585 H GLU 77 H GLU 77 -14.169 8.436 -2.440 586 HA GLU 77 HA GLU 77 -13.826 7.596 0.230 587 1HB GLU 77 2HB GLU 77 -16.204 8.724 -1.253 588 2HB GLU 77 1HB GLU 77 -16.291 8.335 0.466 589 1HG GLU 77 2HG GLU 77 -14.262 9.778 0.824 590 2HG GLU 77 1HG GLU 77 -14.376 10.271 -0.865 591 H GLY 78 H GLY 78 -14.500 5.808 1.360 592 1HA GLY 78 2HA GLY 78 -15.680 3.596 -0.167 593 2HA GLY 78 1HA GLY 78 -15.129 3.522 1.508 594 H GLY 79 HN GLY 79 -17.811 3.015 -0.111 595 1HA GLY 79 2HA GLY 79 -19.517 3.997 2.110 596 2HA GLY 79 1HA GLY 79 -19.976 4.447 0.466 No H/Q in entry = 596 Start of MODEL 7 1 1H ALA 1 2H ALA 1 -10.474 9.145 2.556 2 2H ALA 1 1H ALA 1 -11.789 9.624 1.594 3 3H ALA 1 3H ALA 1 -11.449 7.976 1.801 4 HA ALA 1 HA ALA 1 -10.386 8.129 -0.142 5 1HB ALA 1 3HB ALA 1 -11.236 10.762 0.126 6 2HB ALA 1 2HB ALA 1 -9.492 10.914 -0.082 7 3HB ALA 1 1HB ALA 1 -10.454 10.073 -1.297 8 H ILE 2 H ILE 2 -8.345 7.323 -0.280 9 HA ILE 2 HA ILE 2 -6.229 8.581 1.417 10 HB ILE 2 HB ILE 2 -6.214 5.632 0.853 11 1HG1 ILE 2 2HG1 ILE 2 -8.471 6.188 1.775 12 2HG1 ILE 2 1HG1 ILE 2 -7.505 5.219 2.888 13 1HG2 ILE 2 1HG2 ILE 2 -4.802 7.570 2.522 14 2HG2 ILE 2 3HG2 ILE 2 -5.377 6.183 3.450 15 3HG2 ILE 2 2HG2 ILE 2 -4.324 5.938 2.055 16 1HD1 ILE 2 1HD1 ILE 2 -6.869 7.932 3.415 17 2HD1 ILE 2 3HD1 ILE 2 -8.627 7.837 3.300 18 3HD1 ILE 2 2HD1 ILE 2 -7.762 6.816 4.449 19 H ASP 3 H ASP 3 -3.981 7.856 0.599 20 HA ASP 3 HA ASP 3 -4.046 7.799 -2.392 21 1HB ASP 3 2HB ASP 3 -3.137 9.896 -1.318 22 2HB ASP 3 1HB ASP 3 -1.844 8.909 -0.629 23 H ILE 4 H ILE 4 -2.838 6.222 -3.414 24 HA ILE 4 HA ILE 4 -1.460 4.269 -1.626 25 HB ILE 4 HB ILE 4 -2.322 3.841 -4.498 26 1HG1 ILE 4 2HG1 ILE 4 -3.941 2.532 -2.459 27 2HG1 ILE 4 1HG1 ILE 4 -4.013 4.288 -2.310 28 1HG2 ILE 4 1HG2 ILE 4 -1.391 2.086 -2.226 29 2HG2 ILE 4 3HG2 ILE 4 -2.324 1.424 -3.568 30 3HG2 ILE 4 2HG2 ILE 4 -0.760 2.179 -3.871 31 1HD1 ILE 4 1HD1 ILE 4 -4.462 2.766 -4.894 32 2HD1 ILE 4 3HD1 ILE 4 -5.751 3.381 -3.860 33 3HD1 ILE 4 2HD1 ILE 4 -4.647 4.503 -4.655 34 H LYS 5 H LYS 5 0.367 5.930 -1.679 35 HA LYS 5 HA LYS 5 1.913 5.808 -4.225 36 1HB LYS 5 2HB LYS 5 3.218 7.663 -3.325 37 2HB LYS 5 1HB LYS 5 1.501 8.050 -3.196 38 1HG LYS 5 2HG LYS 5 1.802 6.866 -0.818 39 2HG LYS 5 1HG LYS 5 3.466 7.407 -1.043 40 1HD LYS 5 2HD LYS 5 1.314 9.377 -1.642 41 2HD LYS 5 1HD LYS 5 1.593 8.987 0.054 42 1HE LYS 5 2HE LYS 5 4.159 9.288 -0.894 43 2HE LYS 5 1HE LYS 5 3.278 10.503 -1.821 44 1HZ LYS 5 3HZ LYS 5 2.661 10.340 1.017 45 2HZ LYS 5 2HZ LYS 5 4.201 10.937 0.621 46 3HZ LYS 5 1HZ LYS 5 2.809 11.700 0.014 47 H ALA 6 H ALA 6 4.103 5.081 -4.188 48 HA ALA 6 HA ALA 6 4.651 2.878 -2.462 49 1HB ALA 6 2HB ALA 6 6.005 4.294 -4.625 50 2HB ALA 6 1HB ALA 6 7.135 3.753 -3.384 51 3HB ALA 6 3HB ALA 6 6.083 2.588 -4.186 52 HA PRO 7 HA PRO 7 6.389 4.812 1.073 53 1HB PRO 7 2HB PRO 7 8.140 2.843 1.860 54 2HB PRO 7 1HB PRO 7 6.384 2.728 2.062 55 1HG PRO 7 2HG PRO 7 8.140 1.344 0.088 56 2HG PRO 7 1HG PRO 7 6.576 0.837 0.747 57 1HD PRO 7 2HD PRO 7 7.007 1.982 -1.807 58 2HD PRO 7 1HD PRO 7 5.433 1.779 -1.003 59 H THR 8 H THR 8 8.760 5.099 2.116 60 HA THR 8 HA THR 8 10.428 6.235 -0.051 61 HB THR 8 HB THR 8 10.615 6.466 2.969 62 HG1 THR 8 HG1 THR 8 9.860 8.553 2.547 63 1HG2 THR 8 2HG2 THR 8 12.563 6.966 0.935 64 2HG2 THR 8 1HG2 THR 8 12.029 8.517 1.583 65 3HG2 THR 8 3HG2 THR 8 12.683 7.287 2.665 66 H PHE 9 H PHE 9 12.279 5.250 -0.725 67 HA PHE 9 HA PHE 9 13.053 2.699 0.487 68 1HB PHE 9 2HB PHE 9 14.458 4.237 -1.716 69 2HB PHE 9 1HB PHE 9 14.612 2.515 -1.351 70 HD1 PHE 9 HD1 PHE 9 12.111 1.358 -1.111 71 HD2 PHE 9 HD2 PHE 9 13.165 4.707 -3.589 72 HE1 PHE 9 HE1 PHE 9 10.180 0.870 -2.590 73 HE2 PHE 9 HE2 PHE 9 11.233 4.221 -5.068 74 HZ PHE 9 HZ PHE 9 9.741 2.302 -4.569 75 HA PRO 10 HA PRO 10 16.194 4.346 3.084 76 1HB PRO 10 2HB PRO 10 17.661 2.043 3.406 77 2HB PRO 10 1HB PRO 10 16.110 2.337 4.212 78 1HG PRO 10 2HG PRO 10 16.716 0.553 1.899 79 2HG PRO 10 1HG PRO 10 15.423 0.430 3.103 80 1HD PRO 10 2HD PRO 10 15.140 1.402 0.459 81 2HD PRO 10 1HD PRO 10 13.950 1.576 1.770 82 H GLU 11 H GLU 11 18.863 3.660 3.174 83 HA GLU 11 HA GLU 11 19.913 4.958 0.800 84 1HB GLU 11 2HB GLU 11 22.088 4.702 1.869 85 2HB GLU 11 1HB GLU 11 20.913 5.212 3.082 86 1HG GLU 11 2HG GLU 11 20.605 2.791 3.698 87 2HG GLU 11 1HG GLU 11 21.939 2.400 2.610 88 H SER 12 H SER 12 19.975 1.636 2.075 89 HA SER 12 HA SER 12 21.707 0.359 0.361 90 1HB SER 12 2HB SER 12 20.440 -0.867 2.050 91 2HB SER 12 1HB SER 12 18.939 -0.579 1.170 92 HG SER 12 HG SER 12 20.750 -2.518 0.832 93 H ILE 13 H ILE 13 18.224 0.335 -0.435 94 HA ILE 13 HA ILE 13 18.945 0.251 -3.301 95 HB ILE 13 HB ILE 13 16.151 0.228 -2.149 96 1HG1 ILE 13 2HG1 ILE 13 16.880 -2.415 -2.644 97 2HG1 ILE 13 1HG1 ILE 13 18.290 -1.740 -1.829 98 1HG2 ILE 13 3HG2 ILE 13 17.004 0.313 -4.724 99 2HG2 ILE 13 2HG2 ILE 13 16.985 -1.430 -4.463 100 3HG2 ILE 13 1HG2 ILE 13 15.513 -0.489 -4.226 101 1HD1 ILE 13 3HD1 ILE 13 15.461 -1.410 -0.802 102 2HD1 ILE 13 2HD1 ILE 13 16.539 -2.702 -0.274 103 3HD1 ILE 13 1HD1 ILE 13 16.958 -1.019 0.043 104 H ALA 14 H ALA 14 18.159 1.820 -4.811 105 HA ALA 14 HA ALA 14 17.288 4.392 -3.549 106 1HB ALA 14 3HB ALA 14 19.630 4.442 -4.434 107 2HB ALA 14 2HB ALA 14 18.996 4.059 -6.035 108 3HB ALA 14 1HB ALA 14 18.561 5.580 -5.255 109 H ASP 15 H ASP 15 15.620 2.217 -4.656 110 HA ASP 15 HA ASP 15 13.789 3.794 -6.180 111 1HB ASP 15 2HB ASP 15 14.081 2.238 -8.298 112 2HB ASP 15 1HB ASP 15 15.076 3.682 -8.117 113 H GLY 16 H GLY 16 12.328 1.951 -7.523 114 1HA GLY 16 2HA GLY 16 12.109 -0.518 -5.937 115 2HA GLY 16 1HA GLY 16 10.762 0.608 -5.758 116 H THR 17 H THR 17 10.016 -1.734 -6.776 117 HA THR 17 HA THR 17 9.370 -1.059 -9.579 118 HB THR 17 HB THR 17 10.681 -3.681 -8.797 119 HG1 THR 17 HG1 THR 17 12.414 -2.909 -9.772 120 1HG2 THR 17 3HG2 THR 17 9.054 -2.820 -11.100 121 2HG2 THR 17 2HG2 THR 17 10.579 -3.595 -11.530 122 3HG2 THR 17 1HG2 THR 17 9.411 -4.446 -10.519 123 H VAL 18 H VAL 18 7.180 -1.206 -9.568 124 HA VAL 18 HA VAL 18 5.542 -2.385 -7.661 125 HB VAL 18 HB VAL 18 4.968 -2.335 -10.639 126 1HG1 VAL 18 1HG1 VAL 18 3.318 -2.667 -8.152 127 2HG1 VAL 18 3HG1 VAL 18 2.608 -1.878 -9.560 128 3HG1 VAL 18 2HG1 VAL 18 3.208 -3.532 -9.686 129 1HG2 VAL 18 3HG2 VAL 18 5.496 -0.198 -8.809 130 2HG2 VAL 18 2HG2 VAL 18 4.983 -0.088 -10.493 131 3HG2 VAL 18 1HG2 VAL 18 3.779 -0.167 -9.206 132 H ALA 19 H ALA 19 4.128 -4.404 -7.989 133 HA ALA 19 HA ALA 19 5.874 -6.633 -8.954 134 1HB ALA 19 3HB ALA 19 5.029 -6.320 -6.427 135 2HB ALA 19 2HB ALA 19 3.619 -7.158 -7.074 136 3HB ALA 19 1HB ALA 19 5.210 -7.914 -7.158 137 H THR 20 H THR 20 2.381 -6.328 -8.234 138 HA THR 20 HA THR 20 1.678 -6.753 -11.043 139 HB THR 20 HB THR 20 1.278 -8.936 -8.981 140 HG1 THR 20 HG1 THR 20 2.861 -9.784 -10.034 141 1HG2 THR 20 3HG2 THR 20 -0.369 -8.154 -11.254 142 2HG2 THR 20 2HG2 THR 20 0.245 -9.799 -11.424 143 3HG2 THR 20 1HG2 THR 20 -0.691 -9.350 -9.998 144 H TRP 21 H TRP 21 -0.345 -5.894 -11.406 145 HA TRP 21 HA TRP 21 -1.802 -4.843 -9.076 146 1HB TRP 21 2HB TRP 21 -1.758 -4.359 -12.020 147 2HB TRP 21 1HB TRP 21 -3.254 -4.017 -11.158 148 HD1 TRP 21 HD1 TRP 21 0.232 -2.732 -11.700 149 HE1 TRP 21 HE1 TRP 21 0.559 -0.538 -10.374 150 HE3 TRP 21 HE3 TRP 21 -4.021 -2.749 -8.870 151 HZ2 TRP 21 HZ2 TRP 21 -0.776 0.987 -8.407 152 HZ3 TRP 21 HZ3 TRP 21 -4.470 -0.903 -7.269 153 HH2 TRP 21 HH2 TRP 21 -2.852 0.966 -7.034 154 H HIS 22 H HIS 22 -2.571 -6.930 -8.293 155 HA HIS 22 HA HIS 22 -3.935 -8.932 -9.642 156 1HB HIS 22 2HB HIS 22 -5.287 -7.910 -7.170 157 2HB HIS 22 1HB HIS 22 -4.888 -9.569 -7.627 158 HD1 HIS 22 HD1 HIS 22 -3.317 -6.422 -6.269 159 HD2 HIS 22 HD2 HIS 22 -2.343 -10.442 -6.778 160 HE1 HIS 22 HE1 HIS 22 -1.091 -6.762 -5.145 161 H LYS 23 H LYS 23 -5.807 -6.310 -8.077 162 HA LYS 23 HA LYS 23 -7.935 -6.710 -10.085 163 1HB LYS 23 2HB LYS 23 -7.700 -5.197 -7.497 164 2HB LYS 23 1HB LYS 23 -8.998 -4.810 -8.626 165 1HG LYS 23 2HG LYS 23 -8.546 -7.693 -8.028 166 2HG LYS 23 1HG LYS 23 -9.265 -6.713 -6.750 167 1HD LYS 23 2HD LYS 23 -11.218 -6.435 -7.887 168 2HD LYS 23 1HD LYS 23 -10.400 -6.266 -9.441 169 1HE LYS 23 2HE LYS 23 -9.890 -8.834 -9.110 170 2HE LYS 23 1HE LYS 23 -11.276 -8.761 -8.023 171 1HZ LYS 23 1HZ LYS 23 -11.530 -7.507 -10.652 172 2HZ LYS 23 3HZ LYS 23 -11.558 -9.201 -10.584 173 3HZ LYS 23 2HZ LYS 23 -12.701 -8.298 -9.709 174 H LYS 24 H LYS 24 -8.997 -4.261 -10.484 175 HA LYS 24 HA LYS 24 -6.781 -2.523 -11.465 176 1HB LYS 24 2HB LYS 24 -9.199 -2.864 -13.193 177 2HB LYS 24 1HB LYS 24 -7.538 -2.490 -13.653 178 1HG LYS 24 2HG LYS 24 -6.862 -4.802 -13.146 179 2HG LYS 24 1HG LYS 24 -8.514 -5.185 -12.661 180 1HD LYS 24 2HD LYS 24 -9.316 -5.129 -14.832 181 2HD LYS 24 1HD LYS 24 -8.076 -3.997 -15.372 182 1HE LYS 24 2HE LYS 24 -7.748 -6.312 -16.272 183 2HE LYS 24 1HE LYS 24 -6.383 -5.741 -15.312 184 1HZ LYS 24 3HZ LYS 24 -8.576 -7.301 -14.095 185 2HZ LYS 24 2HZ LYS 24 -7.260 -8.068 -14.848 186 3HZ LYS 24 1HZ LYS 24 -7.003 -7.053 -13.510 187 HA PRO 25 HA PRO 25 -9.301 0.760 -10.007 188 1HB PRO 25 2HB PRO 25 -8.721 2.731 -11.835 189 2HB PRO 25 1HB PRO 25 -7.594 2.201 -10.574 190 1HG PRO 25 2HG PRO 25 -7.545 1.619 -13.500 191 2HG PRO 25 1HG PRO 25 -6.201 1.693 -12.348 192 1HD PRO 25 2HD PRO 25 -7.400 -0.667 -13.331 193 2HD PRO 25 1HD PRO 25 -6.317 -0.560 -11.927 194 H GLY 26 H GLY 26 -11.513 0.623 -10.211 195 1HA GLY 26 2HA GLY 26 -13.290 1.818 -11.698 196 2HA GLY 26 1HA GLY 26 -12.691 0.724 -12.951 197 H GLU 27 H GLU 27 -12.309 -1.141 -10.384 198 HA GLU 27 HA GLU 27 -15.009 -2.355 -10.692 199 1HB GLU 27 2HB GLU 27 -12.448 -3.502 -9.533 200 2HB GLU 27 1HB GLU 27 -13.960 -4.385 -9.748 201 1HG GLU 27 2HG GLU 27 -12.705 -2.984 -12.093 202 2HG GLU 27 1HG GLU 27 -12.106 -4.566 -11.592 203 H ALA 28 H ALA 28 -15.337 -3.753 -8.403 204 HA ALA 28 HA ALA 28 -15.798 -1.613 -6.432 205 1HB ALA 28 2HB ALA 28 -17.560 -3.302 -6.925 206 2HB ALA 28 1HB ALA 28 -16.495 -4.563 -6.305 207 3HB ALA 28 3HB ALA 28 -17.094 -3.304 -5.224 208 H VAL 29 H VAL 29 -15.313 -2.230 -4.055 209 HA VAL 29 HA VAL 29 -12.821 -3.830 -3.803 210 HB VAL 29 HB VAL 29 -13.152 -0.929 -2.998 211 1HG1 VAL 29 2HG1 VAL 29 -12.164 -2.239 -1.137 212 2HG1 VAL 29 1HG1 VAL 29 -10.944 -2.870 -2.243 213 3HG1 VAL 29 3HG1 VAL 29 -10.983 -1.148 -1.861 214 1HG2 VAL 29 3HG2 VAL 29 -12.167 -2.049 -5.304 215 2HG2 VAL 29 2HG2 VAL 29 -11.675 -0.477 -4.673 216 3HG2 VAL 29 1HG2 VAL 29 -10.704 -1.908 -4.328 217 H LYS 30 H LYS 30 -12.524 -4.682 -1.688 218 HA LYS 30 HA LYS 30 -14.684 -4.079 0.279 219 1HB LYS 30 2HB LYS 30 -14.549 -6.434 -1.233 220 2HB LYS 30 1HB LYS 30 -13.884 -6.876 0.339 221 1HG LYS 30 2HG LYS 30 -15.937 -5.594 1.307 222 2HG LYS 30 1HG LYS 30 -16.614 -5.784 -0.311 223 1HD LYS 30 2HD LYS 30 -16.940 -8.021 -0.050 224 2HD LYS 30 1HD LYS 30 -15.419 -8.237 0.816 225 1HE LYS 30 2HE LYS 30 -16.429 -8.075 2.832 226 2HE LYS 30 1HE LYS 30 -17.355 -6.659 2.337 227 1HZ LYS 30 1HZ LYS 30 -18.048 -9.370 1.388 228 2HZ LYS 30 3HZ LYS 30 -18.636 -8.773 2.863 229 3HZ LYS 30 2HZ LYS 30 -19.019 -7.976 1.413 230 H ARG 31 H ARG 31 -13.931 -3.928 2.367 231 HA ARG 31 HA ARG 31 -11.297 -3.490 3.029 232 1HB ARG 31 2HB ARG 31 -13.303 -3.212 4.545 233 2HB ARG 31 1HB ARG 31 -13.213 -4.944 4.868 234 1HG ARG 31 2HG ARG 31 -10.921 -4.687 5.713 235 2HG ARG 31 1HG ARG 31 -10.971 -2.960 5.356 236 1HD ARG 31 2HD ARG 31 -11.650 -2.801 7.530 237 2HD ARG 31 1HD ARG 31 -13.226 -3.212 6.853 238 HE ARG 31 HE ARG 31 -12.059 -5.674 7.359 239 1HH1 ARG 31 1HH2 ARG 31 -10.590 -4.247 9.561 240 2HH1 ARG 31 2HH2 ARG 31 -11.683 -4.423 10.892 241 1HH2 ARG 31 2HH1 ARG 31 -14.388 -5.285 8.901 242 2HH2 ARG 31 1HH1 ARG 31 -13.834 -5.010 10.519 243 H ASP 32 H ASP 32 -9.532 -4.764 3.710 244 HA ASP 32 HA ASP 32 -8.210 -6.695 3.898 245 1HB ASP 32 2HB ASP 32 -10.139 -7.440 5.371 246 2HB ASP 32 1HB ASP 32 -10.821 -8.230 3.950 247 H GLU 33 H GLU 33 -8.561 -5.681 1.363 248 HA GLU 33 HA GLU 33 -8.595 -8.178 -0.262 249 1HB GLU 33 2HB GLU 33 -10.765 -7.108 -0.628 250 2HB GLU 33 1HB GLU 33 -9.971 -5.574 -0.987 251 1HG GLU 33 2HG GLU 33 -9.772 -6.191 -3.139 252 2HG GLU 33 1HG GLU 33 -8.781 -7.563 -2.646 253 H LEU 34 H LEU 34 -6.444 -8.262 -0.799 254 HA LEU 34 HA LEU 34 -4.566 -6.258 -0.971 255 1HB LEU 34 2HB LEU 34 -4.103 -8.680 -1.336 256 2HB LEU 34 1HB LEU 34 -4.812 -8.546 -2.945 257 HG LEU 34 HG LEU 34 -3.124 -6.889 -3.581 258 1HD1 LEU 34 2HD1 LEU 34 -2.113 -7.304 -0.751 259 2HD1 LEU 34 1HD1 LEU 34 -1.247 -6.414 -2.004 260 3HD1 LEU 34 3HD1 LEU 34 -2.797 -5.819 -1.410 261 1HD2 LEU 34 2HD2 LEU 34 -2.015 -9.402 -2.292 262 2HD2 LEU 34 1HD2 LEU 34 -2.527 -9.208 -3.968 263 3HD2 LEU 34 3HD2 LEU 34 -1.091 -8.368 -3.383 264 H ILE 35 H ILE 35 -3.626 -5.186 -2.966 265 HA ILE 35 HA ILE 35 -5.642 -4.666 -5.084 266 HB ILE 35 HB ILE 35 -4.307 -2.536 -3.389 267 1HG1 ILE 35 2HG1 ILE 35 -7.210 -3.275 -3.887 268 2HG1 ILE 35 1HG1 ILE 35 -6.318 -3.519 -2.384 269 1HG2 ILE 35 2HG2 ILE 35 -4.975 -2.449 -6.134 270 2HG2 ILE 35 1HG2 ILE 35 -6.249 -1.565 -5.294 271 3HG2 ILE 35 3HG2 ILE 35 -4.562 -1.086 -5.093 272 1HD1 ILE 35 1HD1 ILE 35 -5.912 -1.015 -2.340 273 2HD1 ILE 35 3HD1 ILE 35 -7.058 -0.882 -3.675 274 3HD1 ILE 35 2HD1 ILE 35 -7.593 -1.499 -2.111 275 H VAL 36 H VAL 36 -2.338 -3.927 -3.928 276 HA VAL 36 HA VAL 36 -1.305 -4.642 -6.596 277 HB VAL 36 HB VAL 36 -1.828 -2.209 -6.749 278 1HG1 VAL 36 1HG1 VAL 36 0.153 -2.040 -4.457 279 2HG1 VAL 36 3HG1 VAL 36 -0.451 -0.654 -5.367 280 3HG1 VAL 36 2HG1 VAL 36 -1.559 -1.620 -4.392 281 1HG2 VAL 36 1HG2 VAL 36 1.115 -2.946 -6.663 282 2HG2 VAL 36 3HG2 VAL 36 0.039 -3.103 -8.050 283 3HG2 VAL 36 2HG2 VAL 36 0.467 -1.504 -7.444 284 H ASP 37 H ASP 37 0.687 -5.598 -6.405 285 HA ASP 37 HA ASP 37 1.859 -5.710 -3.680 286 1HB ASP 37 2HB ASP 37 2.013 -7.410 -6.140 287 2HB ASP 37 1HB ASP 37 3.374 -7.443 -5.018 288 H ILE 38 H ILE 38 4.285 -5.572 -3.535 289 HA ILE 38 HA ILE 38 5.448 -3.797 -5.634 290 HB ILE 38 HB ILE 38 5.876 -3.378 -2.666 291 1HG1 ILE 38 2HG1 ILE 38 4.098 -1.709 -4.455 292 2HG1 ILE 38 1HG1 ILE 38 3.462 -3.041 -3.490 293 1HG2 ILE 38 1HG2 ILE 38 7.015 -2.314 -5.103 294 2HG2 ILE 38 3HG2 ILE 38 6.231 -1.028 -4.185 295 3HG2 ILE 38 2HG2 ILE 38 7.490 -2.007 -3.433 296 1HD1 ILE 38 3HD1 ILE 38 5.002 -0.665 -2.402 297 2HD1 ILE 38 2HD1 ILE 38 3.256 -0.894 -2.284 298 3HD1 ILE 38 1HD1 ILE 38 4.349 -1.995 -1.444 299 H GLU 39 H GLU 39 7.773 -3.951 -5.791 300 HA GLU 39 HA GLU 39 9.091 -6.032 -4.143 301 1HB GLU 39 2HB GLU 39 9.916 -7.236 -6.111 302 2HB GLU 39 1HB GLU 39 8.152 -7.217 -6.121 303 1HG GLU 39 2HG GLU 39 8.047 -5.629 -7.840 304 2HG GLU 39 1HG GLU 39 9.690 -5.056 -7.542 305 H THR 40 H THR 40 11.333 -5.706 -3.984 306 HA THR 40 HA THR 40 12.520 -3.534 -5.635 307 HB THR 40 HB THR 40 13.187 -3.563 -2.724 308 HG1 THR 40 HG1 THR 40 11.030 -2.004 -3.509 309 1HG2 THR 40 2HG2 THR 40 13.738 -1.961 -4.958 310 2HG2 THR 40 1HG2 THR 40 12.603 -1.019 -3.992 311 3HG2 THR 40 3HG2 THR 40 14.111 -1.587 -3.276 312 H ASP 41 H ASP 41 15.020 -3.426 -4.606 313 HA ASP 41 HA ASP 41 16.416 -5.561 -5.636 314 1HB ASP 41 2HB ASP 41 17.185 -3.321 -4.375 315 2HB ASP 41 1HB ASP 41 17.480 -4.473 -3.073 316 H LYS 42 H LYS 42 15.841 -5.252 -2.110 317 HA LYS 42 HA LYS 42 15.377 -8.191 -2.021 318 1HB LYS 42 2HB LYS 42 17.553 -6.652 -0.669 319 2HB LYS 42 1HB LYS 42 16.791 -7.963 0.234 320 1HG LYS 42 2HG LYS 42 17.305 -8.833 -2.464 321 2HG LYS 42 1HG LYS 42 18.788 -8.185 -1.762 322 1HD LYS 42 2HD LYS 42 18.088 -9.606 0.334 323 2HD LYS 42 1HD LYS 42 17.111 -10.498 -0.834 324 1HE LYS 42 2HE LYS 42 18.930 -11.575 -1.602 325 2HE LYS 42 1HE LYS 42 19.744 -10.043 -1.920 326 1HZ LYS 42 2HZ LYS 42 19.572 -10.835 0.867 327 2HZ LYS 42 1HZ LYS 42 20.575 -11.798 -0.108 328 3HZ LYS 42 3HZ LYS 42 20.860 -10.131 0.013 329 H VAL 43 H VAL 43 13.405 -6.205 -1.866 330 HA VAL 43 HA VAL 43 12.443 -6.661 0.895 331 HB VAL 43 HB VAL 43 12.274 -3.883 -0.267 332 1HG1 VAL 43 2HG1 VAL 43 11.110 -5.108 1.921 333 2HG1 VAL 43 1HG1 VAL 43 12.509 -4.304 2.629 334 3HG1 VAL 43 3HG1 VAL 43 11.319 -3.369 1.722 335 1HG2 VAL 43 3HG2 VAL 43 14.681 -4.590 -0.112 336 2HG2 VAL 43 2HG2 VAL 43 14.269 -3.268 0.981 337 3HG2 VAL 43 1HG2 VAL 43 14.431 -4.909 1.605 338 H VAL 44 H VAL 44 10.643 -7.818 0.288 339 HA VAL 44 HA VAL 44 8.972 -6.780 -1.941 340 HB VAL 44 HB VAL 44 8.787 -9.375 -0.380 341 1HG1 VAL 44 3HG1 VAL 44 7.238 -8.203 -2.684 342 2HG1 VAL 44 2HG1 VAL 44 7.376 -9.951 -2.491 343 3HG1 VAL 44 1HG1 VAL 44 6.625 -8.980 -1.224 344 1HG2 VAL 44 3HG2 VAL 44 10.634 -8.585 -2.333 345 2HG2 VAL 44 2HG2 VAL 44 10.285 -10.240 -1.834 346 3HG2 VAL 44 1HG2 VAL 44 9.440 -9.538 -3.213 347 H MET 45 H MET 45 6.833 -6.114 -1.601 348 HA MET 45 HA MET 45 5.762 -6.235 1.166 349 1HB MET 45 2HB MET 45 6.367 -3.734 -0.403 350 2HB MET 45 1HB MET 45 5.072 -3.750 0.795 351 1HG MET 45 2HG MET 45 7.610 -4.951 1.712 352 2HG MET 45 1HG MET 45 7.690 -3.220 1.380 353 1HE MET 45 2HE MET 45 8.271 -2.568 3.433 354 2HE MET 45 1HE MET 45 7.286 -2.450 4.890 355 3HE MET 45 3HE MET 45 8.147 -3.950 4.519 356 H GLU 46 H GLU 46 3.433 -5.037 0.998 357 HA GLU 46 HA GLU 46 2.159 -5.743 -1.594 358 1HB GLU 46 2HB GLU 46 0.283 -6.834 -0.239 359 2HB GLU 46 1HB GLU 46 1.791 -7.744 -0.340 360 1HG GLU 46 2HG GLU 46 2.040 -5.994 1.880 361 2HG GLU 46 1HG GLU 46 0.455 -6.757 2.006 362 H VAL 47 H VAL 47 -0.134 -4.873 -1.660 363 HA VAL 47 HA VAL 47 -0.530 -2.574 0.195 364 HB VAL 47 HB VAL 47 -0.890 -2.378 -2.807 365 1HG1 VAL 47 2HG1 VAL 47 -1.001 -0.418 -0.504 366 2HG1 VAL 47 1HG1 VAL 47 -0.854 0.099 -2.183 367 3HG1 VAL 47 3HG1 VAL 47 -2.277 -0.802 -1.660 368 1HG2 VAL 47 2HG2 VAL 47 1.451 -1.767 -1.018 369 2HG2 VAL 47 1HG2 VAL 47 1.440 -2.517 -2.614 370 3HG2 VAL 47 3HG2 VAL 47 1.166 -0.783 -2.455 371 H LEU 48 H LEU 48 -2.332 -3.500 1.193 372 HA LEU 48 HA LEU 48 -4.545 -4.414 -0.562 373 1HB LEU 48 2HB LEU 48 -5.366 -4.969 1.975 374 2HB LEU 48 1HB LEU 48 -4.473 -6.098 0.968 375 HG LEU 48 HG LEU 48 -3.091 -4.115 2.781 376 1HD1 LEU 48 2HD1 LEU 48 -4.757 -6.100 3.708 377 2HD1 LEU 48 1HD1 LEU 48 -3.201 -6.926 3.646 378 3HD1 LEU 48 3HD1 LEU 48 -3.378 -5.450 4.594 379 1HD2 LEU 48 1HD2 LEU 48 -2.266 -6.038 0.819 380 2HD2 LEU 48 3HD2 LEU 48 -1.253 -4.993 1.817 381 3HD2 LEU 48 2HD2 LEU 48 -1.719 -6.590 2.402 382 H ALA 49 H ALA 49 -6.752 -3.691 0.053 383 HA ALA 49 HA ALA 49 -6.782 -0.820 0.573 384 1HB ALA 49 2HB ALA 49 -8.485 -2.668 -0.701 385 2HB ALA 49 1HB ALA 49 -9.398 -2.057 0.679 386 3HB ALA 49 3HB ALA 49 -8.751 -0.934 -0.516 387 H GLU 50 H GLU 50 -7.206 0.164 2.509 388 HA GLU 50 HA GLU 50 -7.514 -1.552 4.883 389 1HB GLU 50 2HB GLU 50 -6.426 1.040 4.333 390 2HB GLU 50 1HB GLU 50 -7.691 1.217 5.549 391 1HG GLU 50 2HG GLU 50 -5.632 -0.969 5.783 392 2HG GLU 50 1HG GLU 50 -5.286 0.662 6.363 393 H ALA 51 H ALA 51 -9.687 -0.736 2.721 394 HA ALA 51 HA ALA 51 -11.945 -1.000 4.423 395 1HB ALA 51 1HB ALA 51 -11.160 1.832 3.719 396 2HB ALA 51 3HB ALA 51 -12.832 1.395 4.074 397 3HB ALA 51 2HB ALA 51 -11.585 1.177 5.301 398 H ASP 52 H ASP 52 -13.948 -0.928 3.191 399 HA ASP 52 HA ASP 52 -13.615 -1.678 0.439 400 1HB ASP 52 2HB ASP 52 -15.523 -2.630 1.299 401 2HB ASP 52 1HB ASP 52 -15.919 -1.229 2.287 402 H GLY 53 H GLY 53 -14.937 -0.512 -1.319 403 1HA GLY 53 2HA GLY 53 -15.788 2.032 -1.536 404 2HA GLY 53 1HA GLY 53 -14.055 2.312 -1.335 405 H VAL 54 H VAL 54 -13.953 3.178 -3.507 406 HA VAL 54 HA VAL 54 -13.888 1.025 -5.571 407 HB VAL 54 HB VAL 54 -15.155 3.765 -5.811 408 1HG1 VAL 54 2HG1 VAL 54 -13.672 3.265 -7.760 409 2HG1 VAL 54 1HG1 VAL 54 -14.574 1.772 -8.023 410 3HG1 VAL 54 3HG1 VAL 54 -15.379 3.332 -8.200 411 1HG2 VAL 54 2HG2 VAL 54 -16.079 0.915 -5.861 412 2HG2 VAL 54 1HG2 VAL 54 -16.839 2.324 -5.120 413 3HG2 VAL 54 3HG2 VAL 54 -16.931 2.089 -6.866 414 H ILE 55 H ILE 55 -11.926 0.986 -6.558 415 HA ILE 55 HA ILE 55 -9.804 2.732 -5.900 416 HB ILE 55 HB ILE 55 -10.247 0.942 -8.294 417 1HG1 ILE 55 2HG1 ILE 55 -8.757 0.771 -5.671 418 2HG1 ILE 55 1HG1 ILE 55 -9.975 -0.332 -6.309 419 1HG2 ILE 55 2HG2 ILE 55 -7.780 2.522 -7.497 420 2HG2 ILE 55 1HG2 ILE 55 -7.800 1.244 -8.712 421 3HG2 ILE 55 3HG2 ILE 55 -8.721 2.726 -8.975 422 1HD1 ILE 55 3HD1 ILE 55 -8.188 -0.578 -8.274 423 2HD1 ILE 55 2HD1 ILE 55 -7.077 -0.106 -6.989 424 3HD1 ILE 55 1HD1 ILE 55 -8.077 -1.547 -6.804 425 H ALA 56 H ALA 56 -8.673 4.246 -7.443 426 HA ALA 56 HA ALA 56 -10.709 5.895 -8.871 427 1HB ALA 56 3HB ALA 56 -9.391 6.978 -7.035 428 2HB ALA 56 2HB ALA 56 -7.923 6.680 -7.966 429 3HB ALA 56 1HB ALA 56 -9.166 7.758 -8.601 430 H GLU 57 H GLU 57 -7.204 5.217 -9.232 431 HA GLU 57 HA GLU 57 -7.414 4.080 -11.836 432 1HB GLU 57 2HB GLU 57 -6.351 6.186 -12.995 433 2HB GLU 57 1HB GLU 57 -8.103 6.093 -12.805 434 1HG GLU 57 2HG GLU 57 -8.127 7.627 -11.042 435 2HG GLU 57 1HG GLU 57 -6.434 7.341 -10.639 436 H ILE 58 H ILE 58 -5.375 3.366 -12.530 437 HA ILE 58 HA ILE 58 -3.138 3.987 -10.654 438 HB ILE 58 HB ILE 58 -3.442 1.666 -12.584 439 1HG1 ILE 58 2HG1 ILE 58 -5.101 1.417 -10.867 440 2HG1 ILE 58 1HG1 ILE 58 -3.748 0.382 -10.400 441 1HG2 ILE 58 1HG2 ILE 58 -1.108 2.550 -11.763 442 2HG2 ILE 58 3HG2 ILE 58 -1.568 1.793 -10.238 443 3HG2 ILE 58 2HG2 ILE 58 -1.449 0.820 -11.705 444 1HD1 ILE 58 1HD1 ILE 58 -2.892 2.302 -8.991 445 2HD1 ILE 58 3HD1 ILE 58 -4.410 3.135 -9.323 446 3HD1 ILE 58 2HD1 ILE 58 -4.416 1.611 -8.436 447 H VAL 59 H VAL 59 -1.528 5.260 -11.427 448 HA VAL 59 HA VAL 59 -1.441 5.856 -14.319 449 HB VAL 59 HB VAL 59 0.103 7.000 -11.971 450 1HG1 VAL 59 3HG1 VAL 59 0.009 7.854 -14.882 451 2HG1 VAL 59 2HG1 VAL 59 0.823 8.731 -13.586 452 3HG1 VAL 59 1HG1 VAL 59 1.396 7.134 -14.064 453 1HG2 VAL 59 1HG2 VAL 59 -2.475 7.598 -13.279 454 2HG2 VAL 59 3HG2 VAL 59 -1.901 8.041 -11.671 455 3HG2 VAL 59 2HG2 VAL 59 -1.426 9.000 -13.072 456 H LYS 60 H LYS 60 0.211 3.908 -11.994 457 HA LYS 60 HA LYS 60 2.402 3.432 -13.977 458 1HB LYS 60 2HB LYS 60 2.511 4.020 -11.186 459 2HB LYS 60 1HB LYS 60 3.047 2.353 -11.404 460 1HG LYS 60 2HG LYS 60 4.962 3.855 -11.619 461 2HG LYS 60 1HG LYS 60 4.611 3.123 -13.185 462 1HD LYS 60 2HD LYS 60 3.894 5.098 -14.105 463 2HD LYS 60 1HD LYS 60 3.227 5.686 -12.580 464 1HE LYS 60 2HE LYS 60 5.190 6.662 -11.949 465 2HE LYS 60 1HE LYS 60 6.169 5.363 -12.630 466 1HZ LYS 60 2HZ LYS 60 4.709 7.190 -14.415 467 2HZ LYS 60 1HZ LYS 60 6.188 7.679 -13.735 468 3HZ LYS 60 3HZ LYS 60 6.123 6.297 -14.715 469 H ASN 61 H ASN 61 2.486 1.407 -14.841 470 HA ASN 61 HA ASN 61 0.526 -0.588 -13.910 471 1HB ASN 61 2HB ASN 61 2.322 -0.306 -16.302 472 2HB ASN 61 1HB ASN 61 1.658 -1.890 -15.897 473 1HD2 ASN 61 2HD2 ASN 61 -0.836 1.050 -17.288 474 2HD2 ASN 61 1HD2 ASN 61 0.756 1.437 -16.811 475 H GLU 62 H GLU 62 1.193 -2.802 -13.398 476 HA GLU 62 HA GLU 62 3.345 -2.940 -11.538 477 1HB GLU 62 2HB GLU 62 3.031 -5.484 -11.877 478 2HB GLU 62 1HB GLU 62 1.645 -4.568 -11.282 479 1HG GLU 62 2HG GLU 62 0.439 -5.218 -13.063 480 2HG GLU 62 1HG GLU 62 1.621 -4.468 -14.142 481 H GLY 63 H GLY 63 5.408 -3.994 -11.732 482 1HA GLY 63 2HA GLY 63 7.253 -4.928 -12.926 483 2HA GLY 63 1HA GLY 63 6.322 -4.785 -14.422 484 H ASP 64 H ASP 64 5.796 -1.883 -13.205 485 HA ASP 64 HA ASP 64 8.014 -0.684 -14.735 486 1HB ASP 64 2HB ASP 64 6.102 0.460 -15.304 487 2HB ASP 64 1HB ASP 64 5.355 0.230 -13.723 488 H THR 65 H THR 65 8.987 1.366 -13.709 489 HA THR 65 HA THR 65 10.006 0.598 -11.037 490 HB THR 65 HB THR 65 10.847 2.825 -12.918 491 HG1 THR 65 HG1 THR 65 11.987 1.333 -13.818 492 1HG2 THR 65 3HG2 THR 65 11.433 2.307 -10.146 493 2HG2 THR 65 2HG2 THR 65 12.896 2.103 -11.108 494 3HG2 THR 65 1HG2 THR 65 12.007 3.625 -11.168 495 H VAL 66 H VAL 66 9.822 1.965 -9.209 496 HA VAL 66 HA VAL 66 7.827 4.179 -9.503 497 HB VAL 66 HB VAL 66 7.213 3.651 -7.110 498 1HG1 VAL 66 3HG1 VAL 66 6.848 1.625 -9.321 499 2HG1 VAL 66 2HG1 VAL 66 6.051 1.444 -7.759 500 3HG1 VAL 66 1HG1 VAL 66 5.710 2.851 -8.766 501 1HG2 VAL 66 3HG2 VAL 66 9.430 2.395 -6.753 502 2HG2 VAL 66 2HG2 VAL 66 7.981 1.637 -6.094 503 3HG2 VAL 66 1HG2 VAL 66 8.674 1.049 -7.605 504 H LEU 67 H LEU 67 8.035 5.628 -7.358 505 HA LEU 67 HA LEU 67 10.945 6.067 -6.831 506 1HB LEU 67 2HB LEU 67 9.532 7.701 -8.466 507 2HB LEU 67 1HB LEU 67 9.179 8.454 -6.911 508 HG LEU 67 HG LEU 67 11.994 7.726 -7.160 509 1HD1 LEU 67 1HD1 LEU 67 11.476 8.205 -9.560 510 2HD1 LEU 67 3HD1 LEU 67 10.895 9.799 -9.081 511 3HD1 LEU 67 2HD1 LEU 67 12.592 9.374 -8.854 512 1HD2 LEU 67 3HD2 LEU 67 10.413 10.245 -6.588 513 2HD2 LEU 67 2HD2 LEU 67 11.262 9.220 -5.431 514 3HD2 LEU 67 1HD2 LEU 67 12.176 10.201 -6.576 515 H SER 68 H SER 68 11.303 7.349 -4.808 516 HA SER 68 HA SER 68 9.763 6.294 -2.630 517 1HB SER 68 2HB SER 68 11.863 6.869 -1.885 518 2HB SER 68 1HB SER 68 11.971 8.269 -2.948 519 HG SER 68 HG SER 68 11.250 9.440 -1.369 520 H GLY 69 H GLY 69 7.577 6.859 -2.773 521 1HA GLY 69 2HA GLY 69 5.910 8.388 -1.885 522 2HA GLY 69 1HA GLY 69 6.989 9.732 -2.263 523 H GLU 70 H GLU 70 6.449 7.155 -4.568 524 HA GLU 70 HA GLU 70 5.402 9.116 -6.489 525 1HB GLU 70 2HB GLU 70 7.032 7.404 -7.214 526 2HB GLU 70 1HB GLU 70 5.888 6.134 -6.776 527 1HG GLU 70 2HG GLU 70 5.002 6.303 -8.838 528 2HG GLU 70 1HG GLU 70 4.448 7.923 -8.411 529 H LEU 71 H LEU 71 3.266 9.355 -7.006 530 HA LEU 71 HA LEU 71 1.277 7.878 -5.457 531 1HB LEU 71 2HB LEU 71 0.972 10.275 -5.985 532 2HB LEU 71 1HB LEU 71 0.923 9.887 -7.705 533 HG LEU 71 HG LEU 71 -0.937 8.355 -5.970 534 1HD1 LEU 71 3HD1 LEU 71 -0.976 10.769 -5.131 535 2HD1 LEU 71 2HD1 LEU 71 -1.570 11.214 -6.731 536 3HD1 LEU 71 1HD1 LEU 71 -2.516 10.132 -5.709 537 1HD2 LEU 71 2HD2 LEU 71 -0.664 9.291 -8.746 538 2HD2 LEU 71 1HD2 LEU 71 -1.495 7.867 -8.118 539 3HD2 LEU 71 3HD2 LEU 71 -2.304 9.434 -8.113 540 H LEU 72 H LEU 72 0.664 5.865 -6.080 541 HA LEU 72 HA LEU 72 0.917 5.076 -8.919 542 1HB LEU 72 2HB LEU 72 -0.166 3.282 -6.765 543 2HB LEU 72 1HB LEU 72 0.802 2.863 -8.179 544 HG LEU 72 HG LEU 72 1.775 4.371 -5.735 545 1HD1 LEU 72 2HD1 LEU 72 1.672 1.553 -6.480 546 2HD1 LEU 72 1HD1 LEU 72 3.324 2.091 -6.177 547 3HD1 LEU 72 3HD1 LEU 72 2.092 2.284 -4.931 548 1HD2 LEU 72 1HD2 LEU 72 2.732 4.327 -8.437 549 2HD2 LEU 72 3HD2 LEU 72 3.454 5.119 -7.037 550 3HD2 LEU 72 2HD2 LEU 72 3.881 3.452 -7.426 551 H GLY 73 H GLY 73 -1.511 6.036 -6.637 552 1HA GLY 73 2HA GLY 73 -3.537 6.459 -8.528 553 2HA GLY 73 1HA GLY 73 -3.776 4.809 -7.936 554 H LYS 74 H LYS 74 -5.825 6.374 -7.343 555 HA LYS 74 HA LYS 74 -5.386 7.135 -4.482 556 1HB LYS 74 2HB LYS 74 -7.189 8.449 -6.536 557 2HB LYS 74 1HB LYS 74 -7.209 8.825 -4.813 558 1HG LYS 74 2HG LYS 74 -4.570 9.090 -5.270 559 2HG LYS 74 1HG LYS 74 -5.172 9.499 -6.877 560 1HD LYS 74 2HD LYS 74 -6.824 11.063 -5.651 561 2HD LYS 74 1HD LYS 74 -5.770 10.860 -4.251 562 1HE LYS 74 2HE LYS 74 -4.085 11.379 -6.477 563 2HE LYS 74 1HE LYS 74 -5.394 12.560 -6.539 564 1HZ LYS 74 3HZ LYS 74 -4.877 12.682 -3.982 565 2HZ LYS 74 2HZ LYS 74 -3.345 12.154 -4.492 566 3HZ LYS 74 1HZ LYS 74 -3.996 13.600 -5.104 567 H LEU 75 H LEU 75 -6.866 6.289 -3.034 568 HA LEU 75 HA LEU 75 -8.800 4.331 -4.143 569 1HB LEU 75 2HB LEU 75 -7.179 3.750 -2.264 570 2HB LEU 75 1HB LEU 75 -8.128 4.819 -1.231 571 HG LEU 75 HG LEU 75 -10.050 3.239 -2.476 572 1HD1 LEU 75 2HD1 LEU 75 -7.729 1.885 -2.938 573 2HD1 LEU 75 1HD1 LEU 75 -8.193 1.215 -1.374 574 3HD1 LEU 75 3HD1 LEU 75 -9.297 1.102 -2.745 575 1HD2 LEU 75 2HD2 LEU 75 -8.715 3.283 0.215 576 2HD2 LEU 75 1HD2 LEU 75 -10.363 3.736 -0.217 577 3HD2 LEU 75 3HD2 LEU 75 -9.910 2.034 -0.133 578 H THR 76 H THR 76 -11.030 4.485 -3.751 579 HA THR 76 HA THR 76 -11.935 7.141 -2.726 580 HB THR 76 HB THR 76 -13.552 5.197 -4.387 581 HG1 THR 76 HG1 THR 76 -11.687 7.174 -5.121 582 1HG2 THR 76 2HG2 THR 76 -13.793 8.072 -3.542 583 2HG2 THR 76 1HG2 THR 76 -14.588 7.509 -5.013 584 3HG2 THR 76 3HG2 THR 76 -14.999 6.788 -3.456 585 H GLU 77 H GLU 77 -14.228 6.978 -1.703 586 HA GLU 77 HA GLU 77 -14.065 4.965 0.433 587 1HB GLU 77 2HB GLU 77 -16.305 6.952 0.044 588 2HB GLU 77 1HB GLU 77 -15.717 6.241 1.548 589 1HG GLU 77 2HG GLU 77 -13.505 7.540 0.324 590 2HG GLU 77 1HG GLU 77 -14.861 8.666 0.271 591 H GLY 78 H GLY 78 -16.693 4.395 0.992 592 1HA GLY 78 2HA GLY 78 -18.090 3.480 -1.407 593 2HA GLY 78 1HA GLY 78 -17.353 2.172 -0.480 594 H GLY 79 HN GLY 79 -19.564 4.949 -0.126 595 1HA GLY 79 2HA GLY 79 -21.422 5.231 1.279 596 2HA GLY 79 1HA GLY 79 -21.576 3.474 1.226 No H/Q in entry = 596 Start of MODEL 8 1 1H ALA 1 1H ALA 1 -9.793 8.163 2.941 2 2H ALA 1 3H ALA 1 -10.817 9.270 2.165 3 3H ALA 1 2H ALA 1 -11.050 7.602 1.944 4 HA ALA 1 HA ALA 1 -9.867 7.828 0.086 5 1HB ALA 1 1HB ALA 1 -8.855 10.405 1.325 6 2HB ALA 1 3HB ALA 1 -8.427 9.854 -0.296 7 3HB ALA 1 2HB ALA 1 -10.104 10.243 0.089 8 H ILE 2 H ILE 2 -8.161 6.486 -0.258 9 HA ILE 2 HA ILE 2 -5.903 6.580 1.705 10 HB ILE 2 HB ILE 2 -7.164 4.183 0.341 11 1HG1 ILE 2 2HG1 ILE 2 -6.771 4.017 3.201 12 2HG1 ILE 2 1HG1 ILE 2 -7.665 5.485 2.802 13 1HG2 ILE 2 3HG2 ILE 2 -4.458 4.566 1.006 14 2HG2 ILE 2 2HG2 ILE 2 -5.124 3.593 2.317 15 3HG2 ILE 2 1HG2 ILE 2 -5.251 3.032 0.651 16 1HD1 ILE 2 2HD1 ILE 2 -8.842 3.611 1.153 17 2HD1 ILE 2 1HD1 ILE 2 -8.506 2.678 2.612 18 3HD1 ILE 2 3HD1 ILE 2 -9.487 4.141 2.707 19 H ASP 3 H ASP 3 -4.384 7.699 0.506 20 HA ASP 3 HA ASP 3 -4.060 7.329 -2.351 21 1HB ASP 3 2HB ASP 3 -3.423 9.417 -1.094 22 2HB ASP 3 1HB ASP 3 -2.077 8.515 -0.387 23 H ILE 4 H ILE 4 -2.916 5.744 -3.359 24 HA ILE 4 HA ILE 4 -1.327 3.889 -1.673 25 HB ILE 4 HB ILE 4 -2.383 3.718 -4.506 26 1HG1 ILE 4 2HG1 ILE 4 -2.910 2.060 -2.018 27 2HG1 ILE 4 1HG1 ILE 4 -3.977 3.326 -2.628 28 1HG2 ILE 4 1HG2 ILE 4 -0.105 2.400 -3.321 29 2HG2 ILE 4 3HG2 ILE 4 -1.370 1.217 -3.656 30 3HG2 ILE 4 2HG2 ILE 4 -0.748 2.236 -4.955 31 1HD1 ILE 4 3HD1 ILE 4 -3.121 1.017 -4.373 32 2HD1 ILE 4 2HD1 ILE 4 -4.523 0.898 -3.310 33 3HD1 ILE 4 1HD1 ILE 4 -4.489 2.108 -4.592 34 H LYS 5 H LYS 5 0.446 5.479 -1.437 35 HA LYS 5 HA LYS 5 2.006 5.953 -3.927 36 1HB LYS 5 2HB LYS 5 3.320 7.524 -2.530 37 2HB LYS 5 1HB LYS 5 1.600 7.915 -2.501 38 1HG LYS 5 2HG LYS 5 1.353 7.288 -0.305 39 2HG LYS 5 1HG LYS 5 2.579 6.025 -0.419 40 1HD LYS 5 2HD LYS 5 4.268 7.977 -0.673 41 2HD LYS 5 1HD LYS 5 2.970 8.991 -0.042 42 1HE LYS 5 2HE LYS 5 3.356 8.274 2.056 43 2HE LYS 5 1HE LYS 5 3.211 6.591 1.550 44 1HZ LYS 5 1HZ LYS 5 5.585 7.127 0.563 45 2HZ LYS 5 3HZ LYS 5 5.595 8.250 1.834 46 3HZ LYS 5 2HZ LYS 5 5.374 6.597 2.163 47 H ALA 6 H ALA 6 4.149 5.193 -4.119 48 HA ALA 6 HA ALA 6 4.794 2.691 -3.019 49 1HB ALA 6 1HB ALA 6 6.278 4.824 -4.437 50 2HB ALA 6 3HB ALA 6 7.274 3.727 -3.481 51 3HB ALA 6 2HB ALA 6 6.228 3.089 -4.750 52 HA PRO 7 HA PRO 7 6.284 3.501 1.026 53 1HB PRO 7 2HB PRO 7 8.244 1.583 1.231 54 2HB PRO 7 1HB PRO 7 6.509 1.221 1.280 55 1HG PRO 7 2HG PRO 7 8.460 0.762 -0.928 56 2HG PRO 7 1HG PRO 7 6.955 -0.098 -0.564 57 1HD PRO 7 2HD PRO 7 7.298 1.865 -2.576 58 2HD PRO 7 1HD PRO 7 5.744 1.240 -1.978 59 H THR 8 H THR 8 8.236 4.204 2.265 60 HA THR 8 HA THR 8 9.993 5.860 0.596 61 HB THR 8 HB THR 8 9.186 6.844 2.651 62 HG1 THR 8 HG1 THR 8 11.130 7.638 2.590 63 1HG2 THR 8 2HG2 THR 8 9.831 4.180 3.695 64 2HG2 THR 8 1HG2 THR 8 10.361 5.490 4.750 65 3HG2 THR 8 3HG2 THR 8 8.665 5.365 4.283 66 H PHE 9 H PHE 9 11.604 4.717 -0.413 67 HA PHE 9 HA PHE 9 12.838 2.371 0.757 68 1HB PHE 9 2HB PHE 9 14.052 4.038 -1.449 69 2HB PHE 9 1HB PHE 9 14.167 2.292 -1.199 70 HD1 PHE 9 HD1 PHE 9 12.058 0.882 -1.445 71 HD2 PHE 9 HD2 PHE 9 12.293 4.975 -2.732 72 HE1 PHE 9 HE1 PHE 9 10.063 0.545 -2.879 73 HE2 PHE 9 HE2 PHE 9 10.296 4.638 -4.166 74 HZ PHE 9 HZ PHE 9 9.181 2.423 -4.240 75 HA PRO 10 HA PRO 10 15.916 4.364 3.178 76 1HB PRO 10 2HB PRO 10 17.717 2.290 3.305 77 2HB PRO 10 1HB PRO 10 16.204 2.331 4.226 78 1HG PRO 10 2HG PRO 10 16.886 0.726 1.806 79 2HG PRO 10 1HG PRO 10 15.716 0.378 3.090 80 1HD PRO 10 2HD PRO 10 15.103 1.379 0.512 81 2HD PRO 10 1HD PRO 10 14.001 1.338 1.909 82 H GLU 11 H GLU 11 18.454 4.643 3.120 83 HA GLU 11 HA GLU 11 19.194 5.929 0.711 84 1HB GLU 11 2HB GLU 11 20.408 5.361 3.250 85 2HB GLU 11 1HB GLU 11 21.569 5.003 1.971 86 1HG GLU 11 2HG GLU 11 21.427 7.206 1.081 87 2HG GLU 11 1HG GLU 11 19.975 7.569 2.013 88 H SER 12 H SER 12 20.187 2.704 1.909 89 HA SER 12 HA SER 12 21.825 1.843 -0.127 90 1HB SER 12 2HB SER 12 20.950 0.522 1.903 91 2HB SER 12 1HB SER 12 19.582 0.085 0.877 92 HG SER 12 HG SER 12 22.215 -0.208 -0.069 93 H ILE 13 H ILE 13 18.254 1.812 -0.205 94 HA ILE 13 HA ILE 13 18.336 1.073 -3.071 95 HB ILE 13 HB ILE 13 15.969 1.555 -1.234 96 1HG1 ILE 13 2HG1 ILE 13 17.026 -1.095 -2.234 97 2HG1 ILE 13 1HG1 ILE 13 17.567 -0.394 -0.708 98 1HG2 ILE 13 3HG2 ILE 13 16.262 1.030 -4.107 99 2HG2 ILE 13 2HG2 ILE 13 15.198 -0.119 -3.296 100 3HG2 ILE 13 1HG2 ILE 13 14.859 1.609 -3.209 101 1HD1 ILE 13 3HD1 ILE 13 14.628 -0.479 -1.158 102 2HD1 ILE 13 2HD1 ILE 13 15.426 -2.027 -0.877 103 3HD1 ILE 13 1HD1 ILE 13 15.548 -0.740 0.324 104 H ALA 14 H ALA 14 17.426 2.437 -4.701 105 HA ALA 14 HA ALA 14 17.002 5.275 -3.857 106 1HB ALA 14 3HB ALA 14 18.644 4.161 -6.130 107 2HB ALA 14 2HB ALA 14 18.014 5.808 -6.182 108 3HB ALA 14 1HB ALA 14 19.124 5.329 -4.898 109 H ASP 15 H ASP 15 15.268 2.825 -4.707 110 HA ASP 15 HA ASP 15 13.171 4.288 -5.941 111 1HB ASP 15 2HB ASP 15 13.353 2.946 -8.201 112 2HB ASP 15 1HB ASP 15 14.265 4.443 -7.998 113 H GLY 16 H GLY 16 11.801 2.360 -7.327 114 1HA GLY 16 2HA GLY 16 11.930 -0.147 -5.758 115 2HA GLY 16 1HA GLY 16 10.444 0.796 -5.630 116 H THR 17 H THR 17 9.796 -1.486 -6.605 117 HA THR 17 HA THR 17 9.368 -1.006 -9.489 118 HB THR 17 HB THR 17 10.658 -3.534 -8.416 119 HG1 THR 17 HG1 THR 17 12.421 -2.661 -9.108 120 1HG2 THR 17 2HG2 THR 17 9.052 -2.995 -10.792 121 2HG2 THR 17 1HG2 THR 17 10.661 -3.594 -11.197 122 3HG2 THR 17 3HG2 THR 17 9.608 -4.537 -10.142 123 H VAL 18 H VAL 18 7.187 -1.180 -9.650 124 HA VAL 18 HA VAL 18 5.430 -2.284 -7.779 125 HB VAL 18 HB VAL 18 5.013 -2.320 -10.782 126 1HG1 VAL 18 2HG1 VAL 18 3.220 -2.459 -8.366 127 2HG1 VAL 18 1HG1 VAL 18 2.614 -1.808 -9.889 128 3HG1 VAL 18 3HG1 VAL 18 3.207 -3.467 -9.814 129 1HG2 VAL 18 3HG2 VAL 18 5.207 -0.120 -8.816 130 2HG2 VAL 18 2HG2 VAL 18 5.389 -0.080 -10.570 131 3HG2 VAL 18 1HG2 VAL 18 3.779 -0.063 -9.849 132 H ALA 19 H ALA 19 4.025 -4.306 -8.161 133 HA ALA 19 HA ALA 19 5.811 -6.558 -8.992 134 1HB ALA 19 2HB ALA 19 5.274 -6.519 -6.569 135 2HB ALA 19 1HB ALA 19 3.556 -6.575 -6.962 136 3HB ALA 19 3HB ALA 19 4.598 -7.940 -7.363 137 H THR 20 H THR 20 2.299 -6.324 -8.377 138 HA THR 20 HA THR 20 1.675 -6.723 -11.207 139 HB THR 20 HB THR 20 1.276 -8.951 -9.192 140 HG1 THR 20 HG1 THR 20 2.430 -9.005 -11.772 141 1HG2 THR 20 3HG2 THR 20 0.115 -8.584 -11.966 142 2HG2 THR 20 2HG2 THR 20 0.090 -10.105 -11.073 143 3HG2 THR 20 1HG2 THR 20 -0.783 -8.703 -10.452 144 H TRP 21 H TRP 21 -0.346 -5.886 -11.599 145 HA TRP 21 HA TRP 21 -1.897 -4.940 -9.284 146 1HB TRP 21 2HB TRP 21 -1.772 -4.365 -12.209 147 2HB TRP 21 1HB TRP 21 -3.305 -4.082 -11.388 148 HD1 TRP 21 HD1 TRP 21 0.181 -2.723 -11.754 149 HE1 TRP 21 HE1 TRP 21 0.411 -0.557 -10.364 150 HE3 TRP 21 HE3 TRP 21 -4.193 -2.876 -9.118 151 HZ2 TRP 21 HZ2 TRP 21 -1.036 0.899 -8.424 152 HZ3 TRP 21 HZ3 TRP 21 -4.743 -1.076 -7.498 153 HH2 TRP 21 HH2 TRP 21 -3.170 0.812 -7.147 154 H HIS 22 H HIS 22 -2.856 -6.861 -8.489 155 HA HIS 22 HA HIS 22 -4.090 -8.895 -10.036 156 1HB HIS 22 2HB HIS 22 -5.432 -8.095 -7.482 157 2HB HIS 22 1HB HIS 22 -4.989 -9.704 -8.063 158 HD1 HIS 22 HD1 HIS 22 -3.534 -6.643 -6.430 159 HD2 HIS 22 HD2 HIS 22 -2.376 -10.537 -7.358 160 HE1 HIS 22 HE1 HIS 22 -1.279 -6.985 -5.369 161 H LYS 23 H LYS 23 -6.005 -6.475 -8.228 162 HA LYS 23 HA LYS 23 -8.165 -6.744 -10.200 163 1HB LYS 23 2HB LYS 23 -7.879 -5.758 -7.474 164 2HB LYS 23 1HB LYS 23 -8.801 -4.636 -8.476 165 1HG LYS 23 2HG LYS 23 -10.401 -6.172 -7.589 166 2HG LYS 23 1HG LYS 23 -10.145 -6.661 -9.265 167 1HD LYS 23 2HD LYS 23 -8.692 -8.455 -8.611 168 2HD LYS 23 1HD LYS 23 -8.620 -7.870 -6.947 169 1HE LYS 23 2HE LYS 23 -10.318 -9.305 -6.527 170 2HE LYS 23 1HE LYS 23 -11.341 -8.160 -7.393 171 1HZ LYS 23 1HZ LYS 23 -9.876 -9.870 -9.156 172 2HZ LYS 23 3HZ LYS 23 -10.875 -10.749 -8.105 173 3HZ LYS 23 2HZ LYS 23 -11.543 -9.545 -9.101 174 H LYS 24 H LYS 24 -9.220 -4.286 -10.509 175 HA LYS 24 HA LYS 24 -7.025 -2.532 -11.508 176 1HB LYS 24 2HB LYS 24 -9.001 -3.985 -13.091 177 2HB LYS 24 1HB LYS 24 -9.071 -2.246 -13.378 178 1HG LYS 24 2HG LYS 24 -6.448 -2.455 -13.496 179 2HG LYS 24 1HG LYS 24 -6.796 -4.151 -13.838 180 1HD LYS 24 2HD LYS 24 -8.515 -3.148 -15.564 181 2HD LYS 24 1HD LYS 24 -7.493 -1.714 -15.448 182 1HE LYS 24 2HE LYS 24 -6.823 -3.306 -17.286 183 2HE LYS 24 1HE LYS 24 -5.540 -2.968 -16.124 184 1HZ LYS 24 3HZ LYS 24 -7.278 -5.211 -15.499 185 2HZ LYS 24 2HZ LYS 24 -6.252 -5.420 -16.837 186 3HZ LYS 24 1HZ LYS 24 -5.600 -5.052 -15.312 187 HA PRO 25 HA PRO 25 -9.472 0.747 -9.926 188 1HB PRO 25 2HB PRO 25 -8.994 2.725 -11.775 189 2HB PRO 25 1HB PRO 25 -7.799 2.195 -10.578 190 1HG PRO 25 2HG PRO 25 -7.908 1.619 -13.505 191 2HG PRO 25 1HG PRO 25 -6.504 1.697 -12.427 192 1HD PRO 25 2HD PRO 25 -7.738 -0.671 -13.347 193 2HD PRO 25 1HD PRO 25 -6.588 -0.556 -11.997 194 H GLY 26 H GLY 26 -11.609 1.442 -10.054 195 1HA GLY 26 2HA GLY 26 -13.508 2.297 -11.363 196 2HA GLY 26 1HA GLY 26 -12.950 1.311 -12.720 197 H GLU 27 H GLU 27 -12.428 -0.735 -10.319 198 HA GLU 27 HA GLU 27 -15.137 -1.947 -10.578 199 1HB GLU 27 2HB GLU 27 -12.729 -3.359 -9.451 200 2HB GLU 27 1HB GLU 27 -14.129 -4.045 -10.276 201 1HG GLU 27 2HG GLU 27 -11.892 -2.420 -11.514 202 2HG GLU 27 1HG GLU 27 -12.274 -4.114 -11.820 203 H ALA 28 H ALA 28 -15.368 -3.528 -8.430 204 HA ALA 28 HA ALA 28 -15.323 -1.591 -6.160 205 1HB ALA 28 1HB ALA 28 -17.245 -3.560 -7.122 206 2HB ALA 28 3HB ALA 28 -16.875 -3.793 -5.414 207 3HB ALA 28 2HB ALA 28 -17.480 -2.236 -5.980 208 H VAL 29 H VAL 29 -14.491 -2.258 -4.130 209 HA VAL 29 HA VAL 29 -13.029 -4.866 -4.136 210 HB VAL 29 HB VAL 29 -11.163 -3.776 -2.960 211 1HG1 VAL 29 1HG1 VAL 29 -11.992 -2.404 -5.536 212 2HG1 VAL 29 3HG1 VAL 29 -10.370 -2.337 -4.847 213 3HG1 VAL 29 2HG1 VAL 29 -11.034 -3.878 -5.392 214 1HG2 VAL 29 2HG2 VAL 29 -12.765 -1.962 -2.018 215 2HG2 VAL 29 1HG2 VAL 29 -11.129 -1.465 -2.455 216 3HG2 VAL 29 3HG2 VAL 29 -12.475 -1.119 -3.540 217 H LYS 30 H LYS 30 -12.082 -4.863 -1.568 218 HA LYS 30 HA LYS 30 -14.204 -4.059 0.291 219 1HB LYS 30 2HB LYS 30 -15.168 -6.126 -0.561 220 2HB LYS 30 1HB LYS 30 -13.648 -6.981 -0.297 221 1HG LYS 30 2HG LYS 30 -15.072 -7.512 1.566 222 2HG LYS 30 1HG LYS 30 -13.859 -6.378 2.160 223 1HD LYS 30 2HD LYS 30 -15.508 -4.516 1.721 224 2HD LYS 30 1HD LYS 30 -16.719 -5.752 1.381 225 1HE LYS 30 2HE LYS 30 -15.238 -6.169 3.895 226 2HE LYS 30 1HE LYS 30 -16.231 -4.713 3.871 227 1HZ LYS 30 1HZ LYS 30 -17.696 -6.789 2.708 228 2HZ LYS 30 3HZ LYS 30 -17.056 -7.373 4.166 229 3HZ LYS 30 2HZ LYS 30 -18.011 -5.968 4.162 230 H ARG 31 H ARG 31 -13.381 -3.870 2.369 231 HA ARG 31 HA ARG 31 -10.695 -3.593 2.894 232 1HB ARG 31 2HB ARG 31 -12.878 -3.333 4.424 233 2HB ARG 31 1HB ARG 31 -12.293 -4.868 5.067 234 1HG ARG 31 2HG ARG 31 -9.971 -3.431 4.957 235 2HG ARG 31 1HG ARG 31 -11.139 -2.161 5.322 236 1HD ARG 31 2HD ARG 31 -10.680 -2.888 7.468 237 2HD ARG 31 1HD ARG 31 -12.021 -3.963 7.071 238 HE ARG 31 HE ARG 31 -9.641 -5.246 6.229 239 1HH1 ARG 31 2HH1 ARG 31 -9.284 -3.715 9.021 240 2HH1 ARG 31 1HH1 ARG 31 -9.399 -5.083 10.075 241 1HH2 ARG 31 1HH2 ARG 31 -10.611 -7.210 7.618 242 2HH2 ARG 31 2HH2 ARG 31 -10.150 -7.063 9.281 243 H ASP 32 H ASP 32 -9.083 -4.975 3.906 244 HA ASP 32 HA ASP 32 -7.880 -6.981 4.091 245 1HB ASP 32 2HB ASP 32 -10.136 -7.426 5.445 246 2HB ASP 32 1HB ASP 32 -10.413 -8.570 4.130 247 H GLU 33 H GLU 33 -8.665 -5.982 1.449 248 HA GLU 33 HA GLU 33 -8.646 -8.587 -0.021 249 1HB GLU 33 2HB GLU 33 -10.812 -7.349 -0.276 250 2HB GLU 33 1HB GLU 33 -9.913 -6.003 -0.977 251 1HG GLU 33 2HG GLU 33 -8.985 -7.682 -2.666 252 2HG GLU 33 1HG GLU 33 -10.210 -8.805 -2.076 253 H LEU 34 H LEU 34 -6.636 -8.806 -0.874 254 HA LEU 34 HA LEU 34 -4.611 -6.956 -1.091 255 1HB LEU 34 2HB LEU 34 -4.368 -9.364 -1.647 256 2HB LEU 34 1HB LEU 34 -5.228 -9.084 -3.162 257 HG LEU 34 HG LEU 34 -3.487 -7.458 -3.839 258 1HD1 LEU 34 1HD1 LEU 34 -2.731 -7.813 -1.042 259 2HD1 LEU 34 3HD1 LEU 34 -1.359 -8.033 -2.129 260 3HD1 LEU 34 2HD1 LEU 34 -2.283 -6.531 -2.168 261 1HD2 LEU 34 2HD2 LEU 34 -2.759 -10.285 -3.111 262 2HD2 LEU 34 1HD2 LEU 34 -3.021 -9.581 -4.708 263 3HD2 LEU 34 3HD2 LEU 34 -1.539 -9.226 -3.820 264 H ILE 35 H ILE 35 -3.779 -5.720 -2.976 265 HA ILE 35 HA ILE 35 -5.845 -4.971 -4.975 266 HB ILE 35 HB ILE 35 -4.287 -2.814 -3.562 267 1HG1 ILE 35 2HG1 ILE 35 -6.935 -4.034 -2.722 268 2HG1 ILE 35 1HG1 ILE 35 -5.448 -3.986 -1.774 269 1HG2 ILE 35 2HG2 ILE 35 -6.341 -3.016 -5.609 270 2HG2 ILE 35 1HG2 ILE 35 -6.873 -1.993 -4.275 271 3HG2 ILE 35 3HG2 ILE 35 -5.378 -1.618 -5.133 272 1HD1 ILE 35 3HD1 ILE 35 -6.157 -1.326 -2.671 273 2HD1 ILE 35 2HD1 ILE 35 -7.502 -2.059 -1.796 274 3HD1 ILE 35 1HD1 ILE 35 -5.922 -1.916 -1.025 275 H VAL 36 H VAL 36 -2.484 -4.537 -3.859 276 HA VAL 36 HA VAL 36 -1.503 -5.076 -6.559 277 HB VAL 36 HB VAL 36 -2.098 -2.664 -6.701 278 1HG1 VAL 36 1HG1 VAL 36 -0.186 -2.500 -4.357 279 2HG1 VAL 36 3HG1 VAL 36 -0.642 -1.098 -5.326 280 3HG1 VAL 36 2HG1 VAL 36 -1.869 -1.974 -4.411 281 1HG2 VAL 36 1HG2 VAL 36 -0.029 -3.748 -7.811 282 2HG2 VAL 36 3HG2 VAL 36 -0.057 -1.988 -7.703 283 3HG2 VAL 36 2HG2 VAL 36 0.909 -2.925 -6.564 284 H ASP 37 H ASP 37 0.584 -5.873 -6.453 285 HA ASP 37 HA ASP 37 1.784 -6.017 -3.739 286 1HB ASP 37 2HB ASP 37 1.959 -7.661 -6.230 287 2HB ASP 37 1HB ASP 37 3.358 -7.644 -5.155 288 H ILE 38 H ILE 38 3.980 -5.401 -3.392 289 HA ILE 38 HA ILE 38 5.141 -3.704 -5.568 290 HB ILE 38 HB ILE 38 5.306 -3.252 -2.571 291 1HG1 ILE 38 2HG1 ILE 38 3.981 -1.408 -4.540 292 2HG1 ILE 38 1HG1 ILE 38 3.092 -2.806 -3.932 293 1HG2 ILE 38 3HG2 ILE 38 6.582 -1.985 -4.965 294 2HG2 ILE 38 2HG2 ILE 38 6.135 -0.950 -3.609 295 3HG2 ILE 38 1HG2 ILE 38 7.259 -2.287 -3.365 296 1HD1 ILE 38 1HD1 ILE 38 3.708 -2.039 -1.590 297 2HD1 ILE 38 3HD1 ILE 38 4.291 -0.543 -2.320 298 3HD1 ILE 38 2HD1 ILE 38 2.590 -0.984 -2.454 299 H GLU 39 H GLU 39 7.503 -3.637 -5.596 300 HA GLU 39 HA GLU 39 8.815 -5.833 -4.062 301 1HB GLU 39 2HB GLU 39 8.209 -6.515 -6.450 302 2HB GLU 39 1HB GLU 39 9.379 -5.309 -6.987 303 1HG GLU 39 2HG GLU 39 10.522 -6.952 -4.897 304 2HG GLU 39 1HG GLU 39 9.920 -7.963 -6.212 305 H THR 40 H THR 40 11.105 -5.490 -3.744 306 HA THR 40 HA THR 40 12.138 -2.822 -4.561 307 HB THR 40 HB THR 40 13.040 -3.318 -1.905 308 HG1 THR 40 HG1 THR 40 10.237 -3.161 -1.983 309 1HG2 THR 40 2HG2 THR 40 11.381 -1.290 -3.352 310 2HG2 THR 40 1HG2 THR 40 11.447 -1.224 -1.590 311 3HG2 THR 40 3HG2 THR 40 12.931 -1.091 -2.534 312 H ASP 41 H ASP 41 14.585 -2.772 -3.617 313 HA ASP 41 HA ASP 41 16.153 -4.486 -5.090 314 1HB ASP 41 2HB ASP 41 16.832 -2.498 -3.544 315 2HB ASP 41 1HB ASP 41 17.037 -3.742 -2.310 316 H LYS 42 H LYS 42 15.839 -5.003 -1.563 317 HA LYS 42 HA LYS 42 15.660 -7.933 -2.131 318 1HB LYS 42 2HB LYS 42 17.257 -6.623 0.092 319 2HB LYS 42 1HB LYS 42 17.112 -8.356 -0.196 320 1HG LYS 42 2HG LYS 42 17.897 -7.344 -2.667 321 2HG LYS 42 1HG LYS 42 18.839 -6.404 -1.510 322 1HD LYS 42 2HD LYS 42 19.260 -8.749 -0.387 323 2HD LYS 42 1HD LYS 42 18.840 -9.368 -1.984 324 1HE LYS 42 2HE LYS 42 20.547 -7.434 -2.732 325 2HE LYS 42 1HE LYS 42 21.207 -7.774 -1.132 326 1HZ LYS 42 3HZ LYS 42 21.283 -10.133 -1.741 327 2HZ LYS 42 2HZ LYS 42 20.738 -9.746 -3.303 328 3HZ LYS 42 1HZ LYS 42 22.246 -9.182 -2.762 329 H VAL 43 H VAL 43 13.514 -6.043 -1.573 330 HA VAL 43 HA VAL 43 12.452 -7.357 0.866 331 HB VAL 43 HB VAL 43 12.192 -4.372 0.450 332 1HG1 VAL 43 1HG1 VAL 43 11.561 -6.316 2.675 333 2HG1 VAL 43 3HG1 VAL 43 11.698 -4.582 2.965 334 3HG1 VAL 43 2HG1 VAL 43 10.467 -5.196 1.862 335 1HG2 VAL 43 1HG2 VAL 43 14.339 -5.997 1.754 336 2HG2 VAL 43 3HG2 VAL 43 14.458 -4.449 0.913 337 3HG2 VAL 43 2HG2 VAL 43 13.827 -4.513 2.560 338 H VAL 44 H VAL 44 10.119 -7.393 0.906 339 HA VAL 44 HA VAL 44 8.825 -6.506 -1.637 340 HB VAL 44 HB VAL 44 8.310 -9.126 -0.195 341 1HG1 VAL 44 3HG1 VAL 44 6.975 -7.634 -2.377 342 2HG1 VAL 44 2HG1 VAL 44 7.243 -9.348 -2.692 343 3HG1 VAL 44 1HG1 VAL 44 6.319 -8.846 -1.276 344 1HG2 VAL 44 2HG2 VAL 44 9.996 -8.364 -2.566 345 2HG2 VAL 44 1HG2 VAL 44 10.361 -9.489 -1.258 346 3HG2 VAL 44 3HG2 VAL 44 9.224 -9.948 -2.526 347 H MET 45 H MET 45 6.548 -6.011 -1.412 348 HA MET 45 HA MET 45 5.499 -5.915 1.366 349 1HB MET 45 2HB MET 45 6.061 -3.560 -0.413 350 2HB MET 45 1HB MET 45 4.694 -3.498 0.702 351 1HG MET 45 2HG MET 45 7.540 -4.161 1.512 352 2HG MET 45 1HG MET 45 6.790 -2.575 1.698 353 1HE MET 45 3HE MET 45 6.993 -2.119 3.706 354 2HE MET 45 2HE MET 45 6.011 -2.654 5.068 355 3HE MET 45 1HE MET 45 7.557 -3.435 4.745 356 H GLU 46 H GLU 46 3.118 -5.257 1.315 357 HA GLU 46 HA GLU 46 1.853 -6.069 -1.269 358 1HB GLU 46 2HB GLU 46 0.719 -6.804 1.432 359 2HB GLU 46 1HB GLU 46 0.306 -7.475 -0.146 360 1HG GLU 46 2HG GLU 46 1.905 -9.041 0.059 361 2HG GLU 46 1HG GLU 46 3.130 -7.798 0.317 362 H VAL 47 H VAL 47 -0.310 -5.172 -1.580 363 HA VAL 47 HA VAL 47 -0.874 -2.816 0.174 364 HB VAL 47 HB VAL 47 -1.301 -2.921 -2.825 365 1HG1 VAL 47 1HG1 VAL 47 -1.355 -0.650 -0.813 366 2HG1 VAL 47 3HG1 VAL 47 -1.597 -0.484 -2.552 367 3HG1 VAL 47 2HG1 VAL 47 -2.768 -1.376 -1.580 368 1HG2 VAL 47 2HG2 VAL 47 0.936 -1.669 -1.200 369 2HG2 VAL 47 1HG2 VAL 47 1.098 -2.995 -2.352 370 3HG2 VAL 47 3HG2 VAL 47 0.665 -1.381 -2.918 371 H LEU 48 H LEU 48 -2.615 -3.692 1.297 372 HA LEU 48 HA LEU 48 -4.794 -4.932 -0.292 373 1HB LEU 48 2HB LEU 48 -5.546 -5.216 2.314 374 2HB LEU 48 1HB LEU 48 -4.614 -6.412 1.426 375 HG LEU 48 HG LEU 48 -3.309 -4.160 2.962 376 1HD1 LEU 48 1HD1 LEU 48 -4.123 -6.924 3.890 377 2HD1 LEU 48 3HD1 LEU 48 -2.895 -5.959 4.709 378 3HD1 LEU 48 2HD1 LEU 48 -4.556 -5.376 4.615 379 1HD2 LEU 48 3HD2 LEU 48 -2.400 -6.196 1.188 380 2HD2 LEU 48 2HD2 LEU 48 -1.423 -5.055 2.112 381 3HD2 LEU 48 1HD2 LEU 48 -1.840 -6.623 2.804 382 H ALA 49 H ALA 49 -7.050 -4.311 0.420 383 HA ALA 49 HA ALA 49 -7.231 -1.383 0.550 384 1HB ALA 49 2HB ALA 49 -8.788 -3.367 -0.600 385 2HB ALA 49 1HB ALA 49 -9.742 -2.876 0.801 386 3HB ALA 49 3HB ALA 49 -9.263 -1.680 -0.404 387 H GLU 50 H GLU 50 -7.602 -0.240 2.398 388 HA GLU 50 HA GLU 50 -7.989 -1.750 4.912 389 1HB GLU 50 2HB GLU 50 -6.597 0.603 4.206 390 2HB GLU 50 1HB GLU 50 -7.925 1.122 5.246 391 1HG GLU 50 2HG GLU 50 -6.489 -1.314 6.133 392 2HG GLU 50 1HG GLU 50 -5.559 0.184 6.199 393 H ALA 51 H ALA 51 -10.067 -0.874 2.660 394 HA ALA 51 HA ALA 51 -12.382 -0.928 4.243 395 1HB ALA 51 2HB ALA 51 -11.041 1.591 4.434 396 2HB ALA 51 1HB ALA 51 -12.536 1.836 3.531 397 3HB ALA 51 3HB ALA 51 -12.587 1.124 5.143 398 H ASP 52 H ASP 52 -14.054 -1.299 2.843 399 HA ASP 52 HA ASP 52 -13.737 -1.554 0.090 400 1HB ASP 52 2HB ASP 52 -15.699 -2.528 0.790 401 2HB ASP 52 1HB ASP 52 -16.098 -1.211 1.887 402 H GLY 53 H GLY 53 -14.963 -0.199 -1.601 403 1HA GLY 53 2HA GLY 53 -15.720 2.407 -1.554 404 2HA GLY 53 1HA GLY 53 -13.969 2.567 -1.379 405 H VAL 54 H VAL 54 -14.091 3.683 -3.504 406 HA VAL 54 HA VAL 54 -14.177 1.699 -5.741 407 HB VAL 54 HB VAL 54 -15.116 4.577 -5.678 408 1HG1 VAL 54 3HG1 VAL 54 -14.526 2.761 -8.030 409 2HG1 VAL 54 2HG1 VAL 54 -15.555 4.189 -8.150 410 3HG1 VAL 54 1HG1 VAL 54 -13.854 4.361 -7.714 411 1HG2 VAL 54 1HG2 VAL 54 -16.512 2.355 -5.109 412 2HG2 VAL 54 3HG2 VAL 54 -17.233 3.710 -5.977 413 3HG2 VAL 54 2HG2 VAL 54 -16.646 2.305 -6.866 414 H ILE 55 H ILE 55 -12.227 1.492 -6.716 415 HA ILE 55 HA ILE 55 -9.945 3.036 -5.983 416 HB ILE 55 HB ILE 55 -10.489 1.246 -8.357 417 1HG1 ILE 55 2HG1 ILE 55 -9.134 0.974 -5.671 418 2HG1 ILE 55 1HG1 ILE 55 -10.410 -0.027 -6.360 419 1HG2 ILE 55 2HG2 ILE 55 -7.905 2.580 -7.487 420 2HG2 ILE 55 1HG2 ILE 55 -8.018 1.307 -8.702 421 3HG2 ILE 55 3HG2 ILE 55 -8.773 2.874 -8.993 422 1HD1 ILE 55 3HD1 ILE 55 -8.648 -0.568 -8.209 423 2HD1 ILE 55 2HD1 ILE 55 -7.478 0.011 -7.022 424 3HD1 ILE 55 1HD1 ILE 55 -8.510 -1.368 -6.643 425 H ALA 56 H ALA 56 -8.659 4.417 -7.519 426 HA ALA 56 HA ALA 56 -10.510 6.207 -9.023 427 1HB ALA 56 3HB ALA 56 -9.104 7.206 -7.208 428 2HB ALA 56 2HB ALA 56 -7.665 6.733 -8.112 429 3HB ALA 56 1HB ALA 56 -8.785 7.913 -8.793 430 H GLU 57 H GLU 57 -7.074 5.235 -9.348 431 HA GLU 57 HA GLU 57 -7.275 3.935 -11.832 432 1HB GLU 57 2HB GLU 57 -7.938 6.611 -12.161 433 2HB GLU 57 1HB GLU 57 -6.238 6.555 -12.629 434 1HG GLU 57 2HG GLU 57 -6.907 5.746 -14.623 435 2HG GLU 57 1HG GLU 57 -7.372 4.266 -13.784 436 H ILE 58 H ILE 58 -5.237 3.186 -12.438 437 HA ILE 58 HA ILE 58 -3.018 3.933 -10.636 438 HB ILE 58 HB ILE 58 -2.927 1.877 -12.850 439 1HG1 ILE 58 2HG1 ILE 58 -4.886 1.285 -11.592 440 2HG1 ILE 58 1HG1 ILE 58 -3.582 0.251 -10.997 441 1HG2 ILE 58 3HG2 ILE 58 -0.831 2.590 -11.638 442 2HG2 ILE 58 2HG2 ILE 58 -1.560 1.992 -10.147 443 3HG2 ILE 58 1HG2 ILE 58 -1.213 0.875 -11.467 444 1HD1 ILE 58 1HD1 ILE 58 -3.191 1.992 -9.184 445 2HD1 ILE 58 3HD1 ILE 58 -4.700 2.746 -9.698 446 3HD1 ILE 58 2HD1 ILE 58 -4.709 1.103 -9.058 447 H VAL 59 H VAL 59 -1.152 4.977 -11.328 448 HA VAL 59 HA VAL 59 -1.317 6.295 -13.967 449 HB VAL 59 HB VAL 59 0.639 6.617 -11.670 450 1HG1 VAL 59 2HG1 VAL 59 0.538 7.702 -14.435 451 2HG1 VAL 59 1HG1 VAL 59 0.886 8.866 -13.156 452 3HG1 VAL 59 3HG1 VAL 59 1.923 7.457 -13.372 453 1HG2 VAL 59 2HG2 VAL 59 -1.911 7.949 -12.496 454 2HG2 VAL 59 1HG2 VAL 59 -1.302 7.601 -10.877 455 3HG2 VAL 59 3HG2 VAL 59 -0.642 8.954 -11.796 456 H LYS 60 H LYS 60 1.109 4.384 -12.147 457 HA LYS 60 HA LYS 60 2.509 3.829 -14.702 458 1HB LYS 60 2HB LYS 60 3.288 4.039 -11.931 459 2HB LYS 60 1HB LYS 60 3.762 2.462 -12.565 460 1HG LYS 60 2HG LYS 60 4.328 5.059 -14.014 461 2HG LYS 60 1HG LYS 60 5.472 4.310 -12.901 462 1HD LYS 60 2HD LYS 60 6.201 3.282 -14.814 463 2HD LYS 60 1HD LYS 60 4.886 2.168 -14.437 464 1HE LYS 60 2HE LYS 60 3.737 2.781 -16.278 465 2HE LYS 60 1HE LYS 60 3.908 4.491 -15.883 466 1HZ LYS 60 1HZ LYS 60 6.370 3.345 -16.749 467 2HZ LYS 60 3HZ LYS 60 5.158 3.163 -17.920 468 3HZ LYS 60 2HZ LYS 60 5.549 4.711 -17.338 469 H ASN 61 H ASN 61 3.225 1.487 -15.018 470 HA ASN 61 HA ASN 61 0.916 -0.294 -14.393 471 1HB ASN 61 2HB ASN 61 2.981 -0.282 -16.596 472 2HB ASN 61 1HB ASN 61 2.005 -1.712 -16.258 473 1HD2 ASN 61 2HD2 ASN 61 0.322 1.476 -18.144 474 2HD2 ASN 61 1HD2 ASN 61 1.947 1.517 -17.625 475 H GLU 62 H GLU 62 1.394 -2.515 -13.751 476 HA GLU 62 HA GLU 62 3.455 -2.703 -11.766 477 1HB GLU 62 2HB GLU 62 2.859 -5.147 -11.752 478 2HB GLU 62 1HB GLU 62 1.465 -4.078 -11.578 479 1HG GLU 62 2HG GLU 62 0.600 -5.341 -13.268 480 2HG GLU 62 1HG GLU 62 1.592 -4.297 -14.291 481 H GLY 63 H GLY 63 5.352 -4.098 -11.810 482 1HA GLY 63 2HA GLY 63 7.126 -5.271 -12.875 483 2HA GLY 63 1HA GLY 63 6.256 -5.135 -14.407 484 H ASP 64 H ASP 64 6.240 -2.120 -13.015 485 HA ASP 64 HA ASP 64 8.590 -1.310 -14.661 486 1HB ASP 64 2HB ASP 64 6.869 -0.044 -15.507 487 2HB ASP 64 1HB ASP 64 5.972 -0.033 -13.989 488 H THR 65 H THR 65 9.695 0.725 -13.742 489 HA THR 65 HA THR 65 10.289 0.185 -10.876 490 HB THR 65 HB THR 65 11.794 1.846 -12.921 491 HG1 THR 65 HG1 THR 65 12.149 -0.759 -11.872 492 1HG2 THR 65 1HG2 THR 65 11.889 2.012 -10.157 493 2HG2 THR 65 3HG2 THR 65 13.208 0.904 -10.538 494 3HG2 THR 65 2HG2 THR 65 13.172 2.514 -11.259 495 H VAL 66 H VAL 66 9.431 1.531 -9.373 496 HA VAL 66 HA VAL 66 8.429 4.189 -10.284 497 HB VAL 66 HB VAL 66 6.948 4.141 -8.388 498 1HG1 VAL 66 3HG1 VAL 66 7.167 1.464 -9.784 499 2HG1 VAL 66 2HG1 VAL 66 5.823 1.881 -8.722 500 3HG1 VAL 66 1HG1 VAL 66 6.104 2.808 -10.195 501 1HG2 VAL 66 2HG2 VAL 66 8.663 1.803 -7.520 502 2HG2 VAL 66 1HG2 VAL 66 8.364 3.309 -6.650 503 3HG2 VAL 66 3HG2 VAL 66 7.074 2.117 -6.821 504 H LEU 67 H LEU 67 8.399 5.642 -8.008 505 HA LEU 67 HA LEU 67 11.184 5.537 -6.936 506 1HB LEU 67 2HB LEU 67 9.752 8.057 -7.833 507 2HB LEU 67 1HB LEU 67 11.390 7.955 -7.187 508 HG LEU 67 HG LEU 67 11.107 6.105 -9.378 509 1HD1 LEU 67 1HD1 LEU 67 9.797 8.720 -9.695 510 2HD1 LEU 67 3HD1 LEU 67 11.012 8.382 -10.928 511 3HD1 LEU 67 2HD1 LEU 67 9.665 7.269 -10.689 512 1HD2 LEU 67 1HD2 LEU 67 12.997 7.845 -8.257 513 2HD2 LEU 67 3HD2 LEU 67 13.235 6.810 -9.665 514 3HD2 LEU 67 2HD2 LEU 67 12.716 8.481 -9.878 515 H SER 68 H SER 68 11.290 7.250 -5.026 516 HA SER 68 HA SER 68 9.424 6.391 -3.032 517 1HB SER 68 2HB SER 68 11.524 7.139 -2.230 518 2HB SER 68 1HB SER 68 11.443 8.632 -3.162 519 HG SER 68 HG SER 68 10.452 8.048 -0.694 520 H GLY 69 H GLY 69 7.593 7.424 -2.185 521 1HA GLY 69 2HA GLY 69 5.700 8.808 -2.217 522 2HA GLY 69 1HA GLY 69 6.781 10.090 -2.764 523 H GLU 70 H GLU 70 6.502 7.140 -4.605 524 HA GLU 70 HA GLU 70 5.539 8.679 -6.911 525 1HB GLU 70 2HB GLU 70 7.267 6.890 -7.141 526 2HB GLU 70 1HB GLU 70 6.057 5.701 -6.657 527 1HG GLU 70 2HG GLU 70 6.106 5.696 -9.059 528 2HG GLU 70 1HG GLU 70 4.626 6.528 -8.582 529 H LEU 71 H LEU 71 3.382 9.123 -6.970 530 HA LEU 71 HA LEU 71 1.396 7.535 -5.606 531 1HB LEU 71 2HB LEU 71 1.105 9.954 -6.124 532 2HB LEU 71 1HB LEU 71 1.013 9.553 -7.840 533 HG LEU 71 HG LEU 71 -0.799 8.047 -6.021 534 1HD1 LEU 71 3HD1 LEU 71 -0.670 10.878 -5.891 535 2HD1 LEU 71 2HD1 LEU 71 -2.099 10.481 -6.843 536 3HD1 LEU 71 1HD1 LEU 71 -1.914 9.827 -5.216 537 1HD2 LEU 71 2HD2 LEU 71 -0.876 9.234 -8.799 538 2HD2 LEU 71 1HD2 LEU 71 -0.980 7.537 -8.331 539 3HD2 LEU 71 3HD2 LEU 71 -2.335 8.621 -8.021 540 H LEU 72 H LEU 72 0.980 5.476 -6.277 541 HA LEU 72 HA LEU 72 1.109 4.841 -9.169 542 1HB LEU 72 2HB LEU 72 0.548 2.959 -6.863 543 2HB LEU 72 1HB LEU 72 1.055 2.528 -8.497 544 HG LEU 72 HG LEU 72 2.688 4.084 -6.470 545 1HD1 LEU 72 1HD1 LEU 72 2.725 1.255 -7.501 546 2HD1 LEU 72 3HD1 LEU 72 4.209 2.010 -6.921 547 3HD1 LEU 72 2HD1 LEU 72 2.830 1.828 -5.837 548 1HD2 LEU 72 3HD2 LEU 72 3.073 3.441 -9.388 549 2HD2 LEU 72 2HD2 LEU 72 3.341 4.969 -8.548 550 3HD2 LEU 72 1HD2 LEU 72 4.471 3.634 -8.331 551 H GLY 73 H GLY 73 -1.186 5.729 -6.829 552 1HA GLY 73 2HA GLY 73 -3.385 5.725 -8.584 553 2HA GLY 73 1HA GLY 73 -3.444 4.186 -7.717 554 H LYS 74 H LYS 74 -5.557 5.664 -7.178 555 HA LYS 74 HA LYS 74 -5.070 6.584 -4.407 556 1HB LYS 74 2HB LYS 74 -6.472 8.287 -6.491 557 2HB LYS 74 1HB LYS 74 -6.357 8.664 -4.771 558 1HG LYS 74 2HG LYS 74 -3.756 8.315 -5.239 559 2HG LYS 74 1HG LYS 74 -4.240 8.752 -6.879 560 1HD LYS 74 2HD LYS 74 -3.663 10.801 -5.767 561 2HD LYS 74 1HD LYS 74 -5.423 10.764 -5.873 562 1HE LYS 74 2HE LYS 74 -5.427 9.742 -3.545 563 2HE LYS 74 1HE LYS 74 -3.708 10.128 -3.462 564 1HZ LYS 74 3HZ LYS 74 -5.124 12.377 -4.382 565 2HZ LYS 74 2HZ LYS 74 -5.861 11.814 -2.959 566 3HZ LYS 74 1HZ LYS 74 -4.209 12.210 -2.964 567 H LEU 75 H LEU 75 -6.666 5.795 -3.111 568 HA LEU 75 HA LEU 75 -9.043 4.596 -4.424 569 1HB LEU 75 2HB LEU 75 -7.628 3.302 -2.756 570 2HB LEU 75 1HB LEU 75 -8.232 4.399 -1.513 571 HG LEU 75 HG LEU 75 -10.417 3.406 -3.134 572 1HD1 LEU 75 2HD1 LEU 75 -8.798 1.483 -3.395 573 2HD1 LEU 75 1HD1 LEU 75 -8.831 1.299 -1.641 574 3HD1 LEU 75 3HD1 LEU 75 -10.304 1.057 -2.581 575 1HD2 LEU 75 1HD2 LEU 75 -10.000 4.278 -0.571 576 2HD2 LEU 75 3HD2 LEU 75 -11.444 3.415 -1.098 577 3HD2 LEU 75 2HD2 LEU 75 -10.125 2.536 -0.324 578 H THR 76 H THR 76 -11.172 5.181 -3.802 579 HA THR 76 HA THR 76 -11.381 7.909 -2.675 580 HB THR 76 HB THR 76 -13.661 6.208 -3.691 581 HG1 THR 76 HG1 THR 76 -11.690 7.653 -5.089 582 1HG2 THR 76 3HG2 THR 76 -13.136 9.124 -3.202 583 2HG2 THR 76 2HG2 THR 76 -14.326 8.640 -4.410 584 3HG2 THR 76 1HG2 THR 76 -14.527 8.150 -2.727 585 H GLU 77 H GLU 77 -13.307 8.248 -1.127 586 HA GLU 77 HA GLU 77 -12.894 6.770 1.256 587 1HB GLU 77 2HB GLU 77 -15.037 8.634 0.287 588 2HB GLU 77 1HB GLU 77 -15.291 7.744 1.788 589 1HG GLU 77 2HG GLU 77 -13.647 8.884 2.906 590 2HG GLU 77 1HG GLU 77 -12.643 9.055 1.466 591 H GLY 78 H GLY 78 -15.890 6.701 -0.713 592 1HA GLY 78 2HA GLY 78 -16.707 4.494 -1.544 593 2HA GLY 78 1HA GLY 78 -16.094 3.791 -0.047 594 H GLY 79 HN GLY 79 -18.452 6.200 -1.225 595 1HA GLY 79 2HA GLY 79 -20.821 5.671 -0.405 596 2HA GLY 79 1HA GLY 79 -20.095 5.597 1.201 No H/Q in entry = 596 Start of MODEL 9 1 1H ALA 1 3H ALA 1 -10.501 6.719 2.793 2 2H ALA 1 2H ALA 1 -11.874 6.966 1.823 3 3H ALA 1 1H ALA 1 -10.550 6.090 1.219 4 HA ALA 1 HA ALA 1 -10.306 8.158 0.224 5 1HB ALA 1 2HB ALA 1 -12.050 9.085 1.981 6 2HB ALA 1 1HB ALA 1 -10.598 9.613 2.830 7 3HB ALA 1 3HB ALA 1 -10.918 10.184 1.192 8 H ILE 2 H ILE 2 -8.187 7.109 0.200 9 HA ILE 2 HA ILE 2 -6.273 8.497 2.009 10 HB ILE 2 HB ILE 2 -5.001 6.365 2.265 11 1HG1 ILE 2 2HG1 ILE 2 -7.489 5.103 1.071 12 2HG1 ILE 2 1HG1 ILE 2 -5.961 5.291 0.209 13 1HG2 ILE 2 1HG2 ILE 2 -7.054 7.248 3.752 14 2HG2 ILE 2 3HG2 ILE 2 -7.746 5.712 3.231 15 3HG2 ILE 2 2HG2 ILE 2 -6.219 5.736 4.115 16 1HD1 ILE 2 1HD1 ILE 2 -5.488 4.104 2.798 17 2HD1 ILE 2 3HD1 ILE 2 -6.700 3.171 1.921 18 3HD1 ILE 2 2HD1 ILE 2 -5.116 3.458 1.200 19 H ASP 3 H ASP 3 -3.920 7.879 1.120 20 HA ASP 3 HA ASP 3 -4.064 8.178 -1.854 21 1HB ASP 3 2HB ASP 3 -3.165 10.188 -0.887 22 2HB ASP 3 1HB ASP 3 -2.083 9.265 0.165 23 H ILE 4 H ILE 4 -2.970 6.682 -3.069 24 HA ILE 4 HA ILE 4 -1.395 4.633 -1.576 25 HB ILE 4 HB ILE 4 -2.346 4.327 -4.416 26 1HG1 ILE 4 2HG1 ILE 4 -3.947 3.922 -1.872 27 2HG1 ILE 4 1HG1 ILE 4 -4.344 4.993 -3.215 28 1HG2 ILE 4 2HG2 ILE 4 -0.756 2.698 -3.319 29 2HG2 ILE 4 1HG2 ILE 4 -2.032 2.329 -2.159 30 3HG2 ILE 4 3HG2 ILE 4 -2.266 1.975 -3.870 31 1HD1 ILE 4 3HD1 ILE 4 -4.442 2.963 -4.706 32 2HD1 ILE 4 2HD1 ILE 4 -4.261 1.965 -3.263 33 3HD1 ILE 4 1HD1 ILE 4 -5.681 2.994 -3.452 34 H LYS 5 H LYS 5 0.677 5.529 -1.568 35 HA LYS 5 HA LYS 5 1.880 5.990 -4.266 36 1HB LYS 5 2HB LYS 5 3.360 7.688 -3.159 37 2HB LYS 5 1HB LYS 5 1.657 8.149 -3.168 38 1HG LYS 5 2HG LYS 5 1.439 7.224 -0.857 39 2HG LYS 5 1HG LYS 5 3.175 6.910 -0.854 40 1HD LYS 5 2HD LYS 5 2.367 9.657 -1.626 41 2HD LYS 5 1HD LYS 5 2.083 9.220 0.059 42 1HE LYS 5 2HE LYS 5 4.677 8.266 -0.772 43 2HE LYS 5 1HE LYS 5 4.536 9.990 -1.115 44 1HZ LYS 5 1HZ LYS 5 3.430 9.322 1.425 45 2HZ LYS 5 3HZ LYS 5 5.057 8.852 1.320 46 3HZ LYS 5 2HZ LYS 5 4.621 10.469 1.034 47 H ALA 6 H ALA 6 4.349 5.746 -4.147 48 HA ALA 6 HA ALA 6 4.959 3.177 -2.954 49 1HB ALA 6 2HB ALA 6 6.070 4.815 -4.963 50 2HB ALA 6 1HB ALA 6 7.319 4.666 -3.727 51 3HB ALA 6 3HB ALA 6 6.631 3.219 -4.465 52 HA PRO 7 HA PRO 7 6.517 4.544 0.918 53 1HB PRO 7 2HB PRO 7 8.219 2.450 1.445 54 2HB PRO 7 1HB PRO 7 6.455 2.333 1.568 55 1HG PRO 7 2HG PRO 7 8.265 1.245 -0.537 56 2HG PRO 7 1HG PRO 7 6.673 0.666 -0.018 57 1HD PRO 7 2HD PRO 7 7.208 2.189 -2.346 58 2HD PRO 7 1HD PRO 7 5.604 1.887 -1.639 59 H THR 8 H THR 8 8.248 5.789 1.663 60 HA THR 8 HA THR 8 10.277 6.629 -0.163 61 HB THR 8 HB THR 8 9.529 8.014 1.741 62 HG1 THR 8 HG1 THR 8 11.477 8.670 1.161 63 1HG2 THR 8 1HG2 THR 8 9.837 5.651 3.186 64 2HG2 THR 8 3HG2 THR 8 11.149 6.680 3.763 65 3HG2 THR 8 2HG2 THR 8 9.480 7.241 3.859 66 H PHE 9 H PHE 9 12.226 5.722 -0.646 67 HA PHE 9 HA PHE 9 13.039 3.309 0.883 68 1HB PHE 9 2HB PHE 9 14.283 4.368 -1.664 69 2HB PHE 9 1HB PHE 9 14.381 2.731 -1.008 70 HD1 PHE 9 HD1 PHE 9 12.412 1.231 -1.062 71 HD2 PHE 9 HD2 PHE 9 12.329 5.128 -2.870 72 HE1 PHE 9 HE1 PHE 9 10.364 0.605 -2.316 73 HE2 PHE 9 HE2 PHE 9 10.281 4.504 -4.123 74 HZ PHE 9 HZ PHE 9 9.299 2.242 -3.846 75 HA PRO 10 HA PRO 10 16.360 5.447 2.806 76 1HB PRO 10 2HB PRO 10 17.977 3.285 3.329 77 2HB PRO 10 1HB PRO 10 16.501 3.646 4.240 78 1HG PRO 10 2HG PRO 10 16.970 1.535 2.188 79 2HG PRO 10 1HG PRO 10 15.812 1.559 3.528 80 1HD PRO 10 2HD PRO 10 15.213 2.076 0.808 81 2HD PRO 10 1HD PRO 10 14.153 2.415 2.196 82 H GLU 11 H GLU 11 18.846 5.633 2.622 83 HA GLU 11 HA GLU 11 19.681 6.351 0.075 84 1HB GLU 11 2HB GLU 11 21.025 5.675 2.598 85 2HB GLU 11 1HB GLU 11 22.026 5.392 1.174 86 1HG GLU 11 2HG GLU 11 21.440 7.710 0.389 87 2HG GLU 11 1HG GLU 11 20.636 7.974 1.937 88 H SER 12 H SER 12 20.379 3.196 1.630 89 HA SER 12 HA SER 12 21.690 1.885 -0.403 90 1HB SER 12 2HB SER 12 20.335 1.101 1.913 91 2HB SER 12 1HB SER 12 19.563 0.181 0.620 92 HG SER 12 HG SER 12 21.835 -0.249 -0.056 93 H ILE 13 H ILE 13 18.122 1.741 -0.067 94 HA ILE 13 HA ILE 13 17.942 1.061 -2.943 95 HB ILE 13 HB ILE 13 15.723 1.285 -0.888 96 1HG1 ILE 13 2HG1 ILE 13 17.277 -0.404 -0.127 97 2HG1 ILE 13 1HG1 ILE 13 15.912 -1.239 -0.871 98 1HG2 ILE 13 2HG2 ILE 13 15.784 0.855 -3.731 99 2HG2 ILE 13 1HG2 ILE 13 15.210 -0.613 -2.939 100 3HG2 ILE 13 3HG2 ILE 13 14.385 0.922 -2.660 101 1HD1 ILE 13 3HD1 ILE 13 17.278 -1.232 -3.037 102 2HD1 ILE 13 2HD1 ILE 13 18.655 -0.754 -2.044 103 3HD1 ILE 13 1HD1 ILE 13 17.855 -2.298 -1.755 104 H ALA 14 H ALA 14 17.704 2.696 -4.383 105 HA ALA 14 HA ALA 14 16.694 5.316 -3.420 106 1HB ALA 14 3HB ALA 14 18.498 4.407 -5.550 107 2HB ALA 14 2HB ALA 14 17.343 5.625 -6.092 108 3HB ALA 14 1HB ALA 14 18.419 5.971 -4.738 109 H ASP 15 H ASP 15 15.170 2.681 -4.273 110 HA ASP 15 HA ASP 15 12.734 3.811 -5.003 111 1HB ASP 15 2HB ASP 15 12.855 3.107 -7.552 112 2HB ASP 15 1HB ASP 15 13.412 4.702 -7.043 113 H GLY 16 H GLY 16 11.532 2.021 -6.644 114 1HA GLY 16 2HA GLY 16 12.442 -0.696 -5.905 115 2HA GLY 16 1HA GLY 16 10.864 -0.196 -5.294 116 H THR 17 H THR 17 9.981 -1.966 -6.629 117 HA THR 17 HA THR 17 9.348 -0.992 -9.347 118 HB THR 17 HB THR 17 10.619 -3.690 -8.802 119 HG1 THR 17 HG1 THR 17 11.859 -2.599 -10.701 120 1HG2 THR 17 2HG2 THR 17 8.651 -3.685 -10.418 121 2HG2 THR 17 1HG2 THR 17 9.616 -2.625 -11.447 122 3HG2 THR 17 3HG2 THR 17 10.182 -4.255 -11.083 123 H VAL 18 H VAL 18 7.178 -1.206 -9.569 124 HA VAL 18 HA VAL 18 5.433 -2.339 -7.713 125 HB VAL 18 HB VAL 18 4.986 -2.287 -10.714 126 1HG1 VAL 18 1HG1 VAL 18 3.193 -2.471 -8.294 127 2HG1 VAL 18 3HG1 VAL 18 2.591 -1.839 -9.826 128 3HG1 VAL 18 2HG1 VAL 18 3.205 -3.489 -9.733 129 1HG2 VAL 18 1HG2 VAL 18 5.501 -0.151 -8.890 130 2HG2 VAL 18 3HG2 VAL 18 5.015 -0.038 -10.582 131 3HG2 VAL 18 2HG2 VAL 18 3.790 -0.090 -9.313 132 H ALA 19 H ALA 19 4.004 -4.334 -8.096 133 HA ALA 19 HA ALA 19 5.748 -6.593 -8.992 134 1HB ALA 19 3HB ALA 19 5.179 -6.558 -6.557 135 2HB ALA 19 2HB ALA 19 3.471 -6.659 -6.988 136 3HB ALA 19 1HB ALA 19 4.561 -7.989 -7.381 137 H THR 20 H THR 20 2.242 -6.352 -8.366 138 HA THR 20 HA THR 20 1.606 -6.651 -11.205 139 HB THR 20 HB THR 20 1.257 -8.951 -9.267 140 HG1 THR 20 HG1 THR 20 2.982 -9.487 -10.324 141 1HG2 THR 20 3HG2 THR 20 -0.855 -8.476 -10.522 142 2HG2 THR 20 2HG2 THR 20 0.045 -8.653 -12.027 143 3HG2 THR 20 1HG2 THR 20 -0.135 -10.030 -10.941 144 H TRP 21 H TRP 21 -0.430 -5.826 -11.566 145 HA TRP 21 HA TRP 21 -1.955 -4.925 -9.216 146 1HB TRP 21 2HB TRP 21 -1.867 -4.297 -12.130 147 2HB TRP 21 1HB TRP 21 -3.390 -4.034 -11.286 148 HD1 TRP 21 HD1 TRP 21 0.091 -2.661 -11.663 149 HE1 TRP 21 HE1 TRP 21 0.330 -0.518 -10.240 150 HE3 TRP 21 HE3 TRP 21 -4.259 -2.865 -8.990 151 HZ2 TRP 21 HZ2 TRP 21 -1.103 0.904 -8.265 152 HZ3 TRP 21 HZ3 TRP 21 -4.797 -1.094 -7.336 153 HH2 TRP 21 HH2 TRP 21 -3.224 0.792 -6.969 154 H HIS 22 H HIS 22 -2.711 -7.045 -8.533 155 HA HIS 22 HA HIS 22 -3.989 -9.025 -9.990 156 1HB HIS 22 2HB HIS 22 -5.409 -8.090 -7.516 157 2HB HIS 22 1HB HIS 22 -5.022 -9.735 -8.030 158 HD1 HIS 22 HD1 HIS 22 -3.451 -6.670 -6.504 159 HD2 HIS 22 HD2 HIS 22 -2.488 -10.663 -7.196 160 HE1 HIS 22 HE1 HIS 22 -1.245 -7.076 -5.365 161 H LYS 23 H LYS 23 -5.781 -6.264 -8.563 162 HA LYS 23 HA LYS 23 -7.900 -6.720 -10.601 163 1HB LYS 23 2HB LYS 23 -7.895 -4.960 -8.128 164 2HB LYS 23 1HB LYS 23 -9.277 -5.234 -9.190 165 1HG LYS 23 2HG LYS 23 -8.155 -7.770 -8.411 166 2HG LYS 23 1HG LYS 23 -8.478 -6.803 -6.971 167 1HD LYS 23 2HD LYS 23 -10.735 -6.871 -7.274 168 2HD LYS 23 1HD LYS 23 -10.601 -6.727 -9.027 169 1HE LYS 23 2HE LYS 23 -9.881 -9.101 -9.147 170 2HE LYS 23 1HE LYS 23 -10.092 -9.236 -7.401 171 1HZ LYS 23 2HZ LYS 23 -12.436 -8.158 -8.263 172 2HZ LYS 23 1HZ LYS 23 -12.057 -9.278 -9.483 173 3HZ LYS 23 3HZ LYS 23 -12.179 -9.791 -7.870 174 H LYS 24 H LYS 24 -8.986 -4.269 -10.943 175 HA LYS 24 HA LYS 24 -6.732 -2.525 -11.850 176 1HB LYS 24 2HB LYS 24 -8.815 -3.830 -13.435 177 2HB LYS 24 1HB LYS 24 -8.789 -2.083 -13.669 178 1HG LYS 24 2HG LYS 24 -6.982 -2.301 -14.988 179 2HG LYS 24 1HG LYS 24 -6.085 -2.966 -13.623 180 1HD LYS 24 2HD LYS 24 -6.083 -4.544 -15.516 181 2HD LYS 24 1HD LYS 24 -6.962 -5.216 -14.143 182 1HE LYS 24 2HE LYS 24 -9.025 -4.986 -15.171 183 2HE LYS 24 1HE LYS 24 -8.493 -3.632 -16.168 184 1HZ LYS 24 2HZ LYS 24 -7.103 -5.196 -17.425 185 2HZ LYS 24 1HZ LYS 24 -7.733 -6.482 -16.510 186 3HZ LYS 24 3HZ LYS 24 -8.755 -5.583 -17.522 187 HA PRO 25 HA PRO 25 -8.999 0.815 -10.137 188 1HB PRO 25 2HB PRO 25 -8.552 2.803 -11.984 189 2HB PRO 25 1HB PRO 25 -7.318 2.223 -10.851 190 1HG PRO 25 2HG PRO 25 -7.587 1.683 -13.777 191 2HG PRO 25 1HG PRO 25 -6.130 1.716 -12.770 192 1HD PRO 25 2HD PRO 25 -7.459 -0.612 -13.647 193 2HD PRO 25 1HD PRO 25 -6.254 -0.536 -12.344 194 H GLY 26 H GLY 26 -11.222 0.781 -10.112 195 1HA GLY 26 2HA GLY 26 -13.122 2.018 -11.359 196 2HA GLY 26 1HA GLY 26 -12.663 0.988 -12.721 197 H GLU 27 H GLU 27 -12.047 -1.048 -10.366 198 HA GLU 27 HA GLU 27 -14.764 -2.238 -10.474 199 1HB GLU 27 2HB GLU 27 -13.663 -4.292 -9.692 200 2HB GLU 27 1HB GLU 27 -12.821 -3.647 -11.102 201 1HG GLU 27 2HG GLU 27 -10.945 -3.775 -9.842 202 2HG GLU 27 1HG GLU 27 -11.570 -2.359 -8.994 203 H ALA 28 H ALA 28 -14.952 -3.695 -8.214 204 HA ALA 28 HA ALA 28 -15.031 -1.596 -6.102 205 1HB ALA 28 2HB ALA 28 -16.464 -4.257 -6.359 206 2HB ALA 28 1HB ALA 28 -16.606 -3.186 -4.965 207 3HB ALA 28 3HB ALA 28 -17.174 -2.653 -6.548 208 H VAL 29 H VAL 29 -14.217 -2.076 -3.984 209 HA VAL 29 HA VAL 29 -12.247 -4.328 -3.952 210 HB VAL 29 HB VAL 29 -10.913 -2.981 -2.405 211 1HG1 VAL 29 3HG1 VAL 29 -11.546 -2.240 -5.116 212 2HG1 VAL 29 2HG1 VAL 29 -11.162 -0.791 -4.189 213 3HG1 VAL 29 1HG1 VAL 29 -10.003 -2.116 -4.272 214 1HG2 VAL 29 1HG2 VAL 29 -13.221 -1.812 -1.658 215 2HG2 VAL 29 3HG2 VAL 29 -11.655 -1.042 -1.409 216 3HG2 VAL 29 2HG2 VAL 29 -12.650 -0.588 -2.793 217 H LYS 30 H LYS 30 -11.824 -5.160 -1.673 218 HA LYS 30 HA LYS 30 -14.361 -5.108 -0.084 219 1HB LYS 30 2HB LYS 30 -12.582 -7.372 -0.916 220 2HB LYS 30 1HB LYS 30 -13.412 -7.477 0.637 221 1HG LYS 30 2HG LYS 30 -15.571 -7.044 -0.499 222 2HG LYS 30 1HG LYS 30 -14.732 -6.990 -2.049 223 1HD LYS 30 2HD LYS 30 -13.871 -9.375 -0.856 224 2HD LYS 30 1HD LYS 30 -15.600 -9.302 -0.519 225 1HE LYS 30 2HE LYS 30 -16.172 -9.520 -2.717 226 2HE LYS 30 1HE LYS 30 -14.814 -8.540 -3.270 227 1HZ LYS 30 2HZ LYS 30 -13.688 -10.797 -2.184 228 2HZ LYS 30 1HZ LYS 30 -15.023 -11.367 -3.067 229 3HZ LYS 30 3HZ LYS 30 -13.837 -10.431 -3.837 230 H ARG 31 H ARG 31 -14.126 -4.636 2.071 231 HA ARG 31 HA ARG 31 -11.943 -3.369 3.163 232 1HB ARG 31 2HB ARG 31 -14.146 -3.599 4.294 233 2HB ARG 31 1HB ARG 31 -13.751 -5.276 4.675 234 1HG ARG 31 2HG ARG 31 -11.516 -3.921 5.566 235 2HG ARG 31 1HG ARG 31 -12.824 -2.806 5.960 236 1HD ARG 31 2HD ARG 31 -13.619 -4.153 7.594 237 2HD ARG 31 1HD ARG 31 -13.484 -5.591 6.582 238 HE ARG 31 HE ARG 31 -10.879 -5.146 7.216 239 1HH1 ARG 31 1HH1 ARG 31 -11.369 -4.882 10.812 240 2HH1 ARG 31 2HH1 ARG 31 -10.864 -3.789 9.568 241 1HH2 ARG 31 1HH2 ARG 31 -12.790 -7.151 8.609 242 2HH2 ARG 31 2HH2 ARG 31 -12.459 -6.787 10.270 243 H ASP 32 H ASP 32 -9.855 -4.057 3.202 244 HA ASP 32 HA ASP 32 -8.021 -5.404 3.826 245 1HB ASP 32 2HB ASP 32 -9.736 -6.139 5.675 246 2HB ASP 32 1HB ASP 32 -9.886 -7.596 4.692 247 H GLU 33 H GLU 33 -8.575 -5.366 1.232 248 HA GLU 33 HA GLU 33 -8.367 -8.232 0.414 249 1HB GLU 33 2HB GLU 33 -10.608 -6.971 -0.123 250 2HB GLU 33 1HB GLU 33 -9.652 -6.197 -1.387 251 1HG GLU 33 2HG GLU 33 -8.925 -8.581 -2.047 252 2HG GLU 33 1HG GLU 33 -10.265 -9.132 -1.040 253 H LEU 34 H LEU 34 -6.471 -8.582 -0.631 254 HA LEU 34 HA LEU 34 -4.449 -6.773 -1.084 255 1HB LEU 34 2HB LEU 34 -4.223 -9.220 -1.417 256 2HB LEU 34 1HB LEU 34 -5.139 -9.087 -2.919 257 HG LEU 34 HG LEU 34 -3.413 -7.475 -3.762 258 1HD1 LEU 34 3HD1 LEU 34 -2.286 -8.089 -1.054 259 2HD1 LEU 34 2HD1 LEU 34 -1.168 -7.800 -2.388 260 3HD1 LEU 34 1HD1 LEU 34 -2.331 -6.556 -1.924 261 1HD2 LEU 34 2HD2 LEU 34 -2.714 -10.301 -2.984 262 2HD2 LEU 34 1HD2 LEU 34 -3.119 -9.662 -4.577 263 3HD2 LEU 34 3HD2 LEU 34 -1.550 -9.304 -3.855 264 H ILE 35 H ILE 35 -3.753 -5.511 -2.910 265 HA ILE 35 HA ILE 35 -5.807 -5.053 -5.019 266 HB ILE 35 HB ILE 35 -4.448 -2.903 -3.365 267 1HG1 ILE 35 2HG1 ILE 35 -7.395 -3.511 -3.737 268 2HG1 ILE 35 1HG1 ILE 35 -6.447 -4.106 -2.373 269 1HG2 ILE 35 2HG2 ILE 35 -4.658 -2.374 -5.817 270 2HG2 ILE 35 1HG2 ILE 35 -6.401 -2.599 -5.664 271 3HG2 ILE 35 3HG2 ILE 35 -5.598 -1.303 -4.777 272 1HD1 ILE 35 3HD1 ILE 35 -6.130 -1.223 -2.869 273 2HD1 ILE 35 2HD1 ILE 35 -7.770 -1.694 -2.424 274 3HD1 ILE 35 1HD1 ILE 35 -6.421 -2.079 -1.355 275 H VAL 36 H VAL 36 -2.472 -4.491 -3.913 276 HA VAL 36 HA VAL 36 -1.485 -5.086 -6.608 277 HB VAL 36 HB VAL 36 -2.057 -2.653 -6.722 278 1HG1 VAL 36 1HG1 VAL 36 0.016 -2.475 -4.513 279 2HG1 VAL 36 3HG1 VAL 36 -0.648 -1.093 -5.383 280 3HG1 VAL 36 2HG1 VAL 36 -1.697 -2.084 -4.369 281 1HG2 VAL 36 3HG2 VAL 36 0.884 -3.400 -6.768 282 2HG2 VAL 36 2HG2 VAL 36 -0.249 -3.490 -8.117 283 3HG2 VAL 36 1HG2 VAL 36 0.229 -1.920 -7.471 284 H ASP 37 H ASP 37 0.526 -6.014 -6.450 285 HA ASP 37 HA ASP 37 1.727 -6.152 -3.746 286 1HB ASP 37 2HB ASP 37 1.931 -7.757 -6.263 287 2HB ASP 37 1HB ASP 37 3.301 -7.779 -5.151 288 H ILE 38 H ILE 38 3.998 -5.678 -3.424 289 HA ILE 38 HA ILE 38 5.128 -3.847 -5.505 290 HB ILE 38 HB ILE 38 5.798 -3.592 -2.584 291 1HG1 ILE 38 2HG1 ILE 38 3.350 -2.500 -4.004 292 2HG1 ILE 38 1HG1 ILE 38 3.378 -3.546 -2.583 293 1HG2 ILE 38 3HG2 ILE 38 6.879 -2.372 -4.665 294 2HG2 ILE 38 2HG2 ILE 38 5.436 -1.364 -4.562 295 3HG2 ILE 38 1HG2 ILE 38 6.539 -1.469 -3.189 296 1HD1 ILE 38 2HD1 ILE 38 4.995 -1.215 -2.087 297 2HD1 ILE 38 1HD1 ILE 38 3.396 -0.714 -2.633 298 3HD1 ILE 38 3HD1 ILE 38 3.558 -1.763 -1.224 299 H GLU 39 H GLU 39 7.482 -3.853 -5.646 300 HA GLU 39 HA GLU 39 8.734 -6.295 -4.455 301 1HB GLU 39 2HB GLU 39 8.293 -5.697 -7.216 302 2HB GLU 39 1HB GLU 39 10.029 -5.622 -6.911 303 1HG GLU 39 2HG GLU 39 9.177 -7.868 -5.483 304 2HG GLU 39 1HG GLU 39 8.276 -7.945 -6.998 305 H THR 40 H THR 40 10.889 -6.038 -3.771 306 HA THR 40 HA THR 40 12.040 -3.297 -4.067 307 HB THR 40 HB THR 40 12.544 -4.804 -1.542 308 HG1 THR 40 HG1 THR 40 10.603 -4.051 -0.685 309 1HG2 THR 40 1HG2 THR 40 13.112 -2.273 -2.549 310 2HG2 THR 40 3HG2 THR 40 11.787 -1.990 -1.422 311 3HG2 THR 40 2HG2 THR 40 13.264 -2.777 -0.867 312 H ASP 41 H ASP 41 14.468 -3.538 -3.043 313 HA ASP 41 HA ASP 41 16.056 -4.861 -4.858 314 1HB ASP 41 2HB ASP 41 16.944 -3.351 -3.115 315 2HB ASP 41 1HB ASP 41 16.644 -4.589 -1.895 316 H LYS 42 H LYS 42 15.101 -6.240 -1.689 317 HA LYS 42 HA LYS 42 15.026 -8.918 -2.950 318 1HB LYS 42 2HB LYS 42 16.578 -8.526 -0.390 319 2HB LYS 42 1HB LYS 42 16.581 -9.920 -1.471 320 1HG LYS 42 2HG LYS 42 17.678 -8.582 -3.219 321 2HG LYS 42 1HG LYS 42 17.654 -7.169 -2.163 322 1HD LYS 42 2HD LYS 42 19.291 -8.019 -0.754 323 2HD LYS 42 1HD LYS 42 18.903 -9.695 -1.146 324 1HE LYS 42 2HE LYS 42 20.137 -7.773 -3.133 325 2HE LYS 42 1HE LYS 42 21.088 -8.862 -2.121 326 1HZ LYS 42 2HZ LYS 42 18.871 -10.049 -3.585 327 2HZ LYS 42 1HZ LYS 42 20.194 -9.534 -4.518 328 3HZ LYS 42 3HZ LYS 42 20.424 -10.664 -3.275 329 H VAL 43 H VAL 43 13.138 -6.937 -1.658 330 HA VAL 43 HA VAL 43 11.974 -8.858 0.307 331 HB VAL 43 HB VAL 43 11.680 -5.894 0.712 332 1HG1 VAL 43 2HG1 VAL 43 11.667 -8.342 2.504 333 2HG1 VAL 43 1HG1 VAL 43 11.523 -6.685 3.093 334 3HG1 VAL 43 3HG1 VAL 43 10.276 -7.360 2.044 335 1HG2 VAL 43 2HG2 VAL 43 14.129 -7.527 1.065 336 2HG2 VAL 43 1HG2 VAL 43 13.957 -5.781 0.888 337 3HG2 VAL 43 3HG2 VAL 43 13.674 -6.541 2.454 338 H VAL 44 H VAL 44 9.853 -9.291 -0.127 339 HA VAL 44 HA VAL 44 8.495 -7.550 -2.139 340 HB VAL 44 HB VAL 44 7.529 -10.298 -1.407 341 1HG1 VAL 44 1HG1 VAL 44 7.571 -8.654 -3.956 342 2HG1 VAL 44 3HG1 VAL 44 6.862 -10.261 -3.802 343 3HG1 VAL 44 2HG1 VAL 44 6.177 -8.905 -2.906 344 1HG2 VAL 44 2HG2 VAL 44 10.113 -9.623 -2.618 345 2HG2 VAL 44 1HG2 VAL 44 9.534 -11.171 -2.004 346 3HG2 VAL 44 3HG2 VAL 44 9.128 -10.665 -3.643 347 H MET 45 H MET 45 6.502 -6.654 -1.631 348 HA MET 45 HA MET 45 5.338 -7.362 1.029 349 1HB MET 45 2HB MET 45 5.944 -4.622 -0.096 350 2HB MET 45 1HB MET 45 4.748 -4.861 1.179 351 1HG MET 45 2HG MET 45 6.348 -5.588 2.725 352 2HG MET 45 1HG MET 45 7.498 -6.043 1.468 353 1HE MET 45 1HE MET 45 6.575 -3.916 4.073 354 2HE MET 45 3HE MET 45 7.162 -2.271 3.791 355 3HE MET 45 2HE MET 45 5.648 -2.806 3.067 356 H GLU 46 H GLU 46 3.027 -6.273 1.141 357 HA GLU 46 HA GLU 46 1.728 -6.592 -1.537 358 1HB GLU 46 2HB GLU 46 0.309 -7.287 1.022 359 2HB GLU 46 1HB GLU 46 0.002 -7.874 -0.613 360 1HG GLU 46 2HG GLU 46 2.152 -9.108 -0.559 361 2HG GLU 46 1HG GLU 46 2.415 -8.554 1.094 362 H VAL 47 H VAL 47 -0.329 -5.378 -1.735 363 HA VAL 47 HA VAL 47 -0.500 -3.076 0.163 364 HB VAL 47 HB VAL 47 -0.957 -2.826 -2.815 365 1HG1 VAL 47 3HG1 VAL 47 -1.015 -1.064 -0.449 366 2HG1 VAL 47 2HG1 VAL 47 -0.127 -0.408 -1.825 367 3HG1 VAL 47 1HG1 VAL 47 -1.816 -0.880 -2.010 368 1HG2 VAL 47 2HG2 VAL 47 1.404 -3.567 -2.249 369 2HG2 VAL 47 1HG2 VAL 47 1.295 -2.000 -3.051 370 3HG2 VAL 47 3HG2 VAL 47 1.567 -2.083 -1.310 371 H LEU 48 H LEU 48 -2.328 -4.087 1.173 372 HA LEU 48 HA LEU 48 -4.700 -4.508 -0.561 373 1HB LEU 48 2HB LEU 48 -5.469 -5.310 1.931 374 2HB LEU 48 1HB LEU 48 -4.768 -6.381 0.727 375 HG LEU 48 HG LEU 48 -3.079 -4.839 2.703 376 1HD1 LEU 48 1HD1 LEU 48 -4.560 -7.432 2.998 377 2HD1 LEU 48 3HD1 LEU 48 -2.976 -7.260 3.755 378 3HD1 LEU 48 2HD1 LEU 48 -4.286 -6.162 4.191 379 1HD2 LEU 48 2HD2 LEU 48 -2.433 -6.245 0.418 380 2HD2 LEU 48 1HD2 LEU 48 -1.331 -5.950 1.763 381 3HD2 LEU 48 3HD2 LEU 48 -2.230 -7.464 1.675 382 H ALA 49 H ALA 49 -6.756 -3.578 0.155 383 HA ALA 49 HA ALA 49 -6.423 -0.855 1.147 384 1HB ALA 49 1HB ALA 49 -8.637 -2.494 0.018 385 2HB ALA 49 3HB ALA 49 -9.101 -1.159 1.074 386 3HB ALA 49 2HB ALA 49 -8.144 -0.847 -0.375 387 H GLU 50 H GLU 50 -7.292 -0.025 3.113 388 HA GLU 50 HA GLU 50 -7.483 -2.053 5.262 389 1HB GLU 50 2HB GLU 50 -6.552 0.665 5.069 390 2HB GLU 50 1HB GLU 50 -7.807 0.567 6.304 391 1HG GLU 50 2HG GLU 50 -6.530 -1.554 7.110 392 2HG GLU 50 1HG GLU 50 -5.187 -0.910 6.164 393 H ALA 51 H ALA 51 -9.643 -1.057 3.157 394 HA ALA 51 HA ALA 51 -11.924 -1.643 4.745 395 1HB ALA 51 1HB ALA 51 -11.233 0.642 5.697 396 2HB ALA 51 3HB ALA 51 -11.730 1.314 4.145 397 3HB ALA 51 2HB ALA 51 -12.907 0.485 5.164 398 H ASP 52 H ASP 52 -13.839 -1.668 3.451 399 HA ASP 52 HA ASP 52 -13.480 -2.065 0.679 400 1HB ASP 52 2HB ASP 52 -15.452 -3.004 1.396 401 2HB ASP 52 1HB ASP 52 -15.834 -1.668 2.476 402 H GLY 53 H GLY 53 -14.692 -0.714 -1.026 403 1HA GLY 53 2HA GLY 53 -15.411 1.907 -0.999 404 2HA GLY 53 1HA GLY 53 -13.654 2.036 -0.849 405 H VAL 54 H VAL 54 -13.555 3.051 -2.954 406 HA VAL 54 HA VAL 54 -13.674 1.056 -5.162 407 HB VAL 54 HB VAL 54 -14.889 3.830 -5.170 408 1HG1 VAL 54 2HG1 VAL 54 -14.371 1.961 -7.504 409 2HG1 VAL 54 1HG1 VAL 54 -15.280 3.469 -7.583 410 3HG1 VAL 54 3HG1 VAL 54 -13.555 3.498 -7.220 411 1HG2 VAL 54 3HG2 VAL 54 -16.314 1.985 -4.346 412 2HG2 VAL 54 2HG2 VAL 54 -16.899 2.590 -5.896 413 3HG2 VAL 54 1HG2 VAL 54 -15.993 1.078 -5.825 414 H ILE 55 H ILE 55 -11.769 1.058 -6.258 415 HA ILE 55 HA ILE 55 -9.615 2.803 -5.576 416 HB ILE 55 HB ILE 55 -9.946 1.199 -8.128 417 1HG1 ILE 55 2HG1 ILE 55 -10.309 -0.056 -5.925 418 2HG1 ILE 55 1HG1 ILE 55 -9.022 -0.672 -6.959 419 1HG2 ILE 55 1HG2 ILE 55 -7.561 2.327 -6.641 420 2HG2 ILE 55 3HG2 ILE 55 -7.416 1.097 -7.896 421 3HG2 ILE 55 2HG2 ILE 55 -8.069 2.687 -8.291 422 1HD1 ILE 55 1HD1 ILE 55 -8.542 1.302 -4.713 423 2HD1 ILE 55 3HD1 ILE 55 -8.395 -0.445 -4.515 424 3HD1 ILE 55 2HD1 ILE 55 -7.329 0.410 -5.631 425 H ALA 56 H ALA 56 -8.576 4.410 -6.989 426 HA ALA 56 HA ALA 56 -10.613 5.990 -8.467 427 1HB ALA 56 1HB ALA 56 -7.815 6.717 -7.544 428 2HB ALA 56 3HB ALA 56 -8.939 7.817 -8.340 429 3HB ALA 56 2HB ALA 56 -9.318 7.173 -6.742 430 H GLU 57 H GLU 57 -7.102 5.477 -8.955 431 HA GLU 57 HA GLU 57 -7.394 4.211 -11.512 432 1HB GLU 57 2HB GLU 57 -6.677 6.101 -12.950 433 2HB GLU 57 1HB GLU 57 -8.243 6.413 -12.200 434 1HG GLU 57 2HG GLU 57 -7.421 8.071 -10.844 435 2HG GLU 57 1HG GLU 57 -5.844 7.299 -10.681 436 H ILE 58 H ILE 58 -5.381 3.467 -12.220 437 HA ILE 58 HA ILE 58 -3.119 4.024 -10.388 438 HB ILE 58 HB ILE 58 -3.220 2.022 -12.657 439 1HG1 ILE 58 2HG1 ILE 58 -5.081 1.470 -11.244 440 2HG1 ILE 58 1HG1 ILE 58 -3.766 0.388 -10.775 441 1HG2 ILE 58 2HG2 ILE 58 -1.007 2.658 -11.607 442 2HG2 ILE 58 1HG2 ILE 58 -1.625 2.028 -10.081 443 3HG2 ILE 58 3HG2 ILE 58 -1.421 0.950 -11.461 444 1HD1 ILE 58 2HD1 ILE 58 -3.165 2.056 -8.969 445 2HD1 ILE 58 1HD1 ILE 58 -4.657 2.912 -9.358 446 3HD1 ILE 58 3HD1 ILE 58 -4.722 1.259 -8.743 447 H VAL 59 H VAL 59 -1.262 5.076 -11.055 448 HA VAL 59 HA VAL 59 -1.391 6.421 -13.683 449 HB VAL 59 HB VAL 59 0.690 6.715 -11.500 450 1HG1 VAL 59 1HG1 VAL 59 0.225 7.911 -14.138 451 2HG1 VAL 59 3HG1 VAL 59 0.391 9.110 -12.856 452 3HG1 VAL 59 2HG1 VAL 59 1.676 7.934 -13.134 453 1HG2 VAL 59 2HG2 VAL 59 -2.006 8.001 -11.915 454 2HG2 VAL 59 1HG2 VAL 59 -1.320 7.336 -10.433 455 3HG2 VAL 59 3HG2 VAL 59 -0.717 8.863 -11.075 456 H LYS 60 H LYS 60 1.102 4.599 -11.853 457 HA LYS 60 HA LYS 60 2.494 4.018 -14.392 458 1HB LYS 60 2HB LYS 60 3.216 4.160 -11.595 459 2HB LYS 60 1HB LYS 60 3.719 2.613 -12.276 460 1HG LYS 60 2HG LYS 60 4.297 5.291 -13.572 461 2HG LYS 60 1HG LYS 60 5.435 4.440 -12.527 462 1HD LYS 60 2HD LYS 60 6.146 3.505 -14.481 463 2HD LYS 60 1HD LYS 60 4.754 2.445 -14.253 464 1HE LYS 60 2HE LYS 60 3.847 3.234 -16.153 465 2HE LYS 60 1HE LYS 60 3.819 4.856 -15.459 466 1HZ LYS 60 1HZ LYS 60 6.210 3.651 -16.736 467 2HZ LYS 60 3HZ LYS 60 5.111 4.651 -17.556 468 3HZ LYS 60 2HZ LYS 60 6.005 5.266 -16.248 469 H ASN 61 H ASN 61 3.131 1.717 -14.840 470 HA ASN 61 HA ASN 61 0.840 -0.082 -14.210 471 1HB ASN 61 2HB ASN 61 2.974 -0.342 -16.352 472 2HB ASN 61 1HB ASN 61 1.553 -1.371 -16.169 473 1HD2 ASN 61 2HD2 ASN 61 1.088 2.429 -17.661 474 2HD2 ASN 61 1HD2 ASN 61 2.515 2.027 -16.816 475 H GLU 62 H GLU 62 1.322 -2.329 -13.656 476 HA GLU 62 HA GLU 62 3.423 -2.578 -11.710 477 1HB GLU 62 2HB GLU 62 2.795 -5.047 -11.807 478 2HB GLU 62 1HB GLU 62 1.471 -3.944 -11.432 479 1HG GLU 62 2HG GLU 62 0.344 -4.797 -13.183 480 2HG GLU 62 1HG GLU 62 1.566 -4.090 -14.247 481 H GLY 63 H GLY 63 5.229 -4.151 -11.836 482 1HA GLY 63 2HA GLY 63 6.955 -5.306 -12.984 483 2HA GLY 63 1HA GLY 63 6.072 -5.059 -14.494 484 H ASP 64 H ASP 64 6.026 -2.084 -13.249 485 HA ASP 64 HA ASP 64 8.507 -1.320 -14.702 486 1HB ASP 64 2HB ASP 64 6.853 -0.038 -15.656 487 2HB ASP 64 1HB ASP 64 5.869 -0.010 -14.192 488 H THR 65 H THR 65 9.580 0.710 -13.733 489 HA THR 65 HA THR 65 10.097 0.133 -10.872 490 HB THR 65 HB THR 65 11.957 0.449 -12.589 491 HG1 THR 65 HG1 THR 65 12.113 0.757 -10.244 492 1HG2 THR 65 1HG2 THR 65 10.861 2.379 -13.735 493 2HG2 THR 65 3HG2 THR 65 11.156 3.356 -12.296 494 3HG2 THR 65 2HG2 THR 65 12.514 2.728 -13.230 495 H VAL 66 H VAL 66 10.034 1.844 -9.275 496 HA VAL 66 HA VAL 66 8.396 4.209 -10.087 497 HB VAL 66 HB VAL 66 7.145 4.037 -7.997 498 1HG1 VAL 66 1HG1 VAL 66 6.841 2.397 -10.160 499 2HG1 VAL 66 3HG1 VAL 66 6.974 1.212 -8.859 500 3HG1 VAL 66 2HG1 VAL 66 5.719 2.451 -8.801 501 1HG2 VAL 66 3HG2 VAL 66 9.126 1.827 -7.483 502 2HG2 VAL 66 2HG2 VAL 66 8.632 3.142 -6.416 503 3HG2 VAL 66 1HG2 VAL 66 7.541 1.787 -6.711 504 H LEU 67 H LEU 67 8.418 5.706 -7.872 505 HA LEU 67 HA LEU 67 11.283 5.878 -7.035 506 1HB LEU 67 2HB LEU 67 9.726 7.779 -8.561 507 2HB LEU 67 1HB LEU 67 10.223 8.493 -7.027 508 HG LEU 67 HG LEU 67 12.266 6.930 -8.538 509 1HD1 LEU 67 1HD1 LEU 67 11.149 8.337 -10.266 510 2HD1 LEU 67 3HD1 LEU 67 11.462 9.761 -9.274 511 3HD1 LEU 67 2HD1 LEU 67 12.808 8.848 -9.956 512 1HD2 LEU 67 2HD2 LEU 67 12.730 7.956 -6.328 513 2HD2 LEU 67 1HD2 LEU 67 13.729 8.673 -7.593 514 3HD2 LEU 67 3HD2 LEU 67 12.319 9.540 -6.986 515 H SER 68 H SER 68 11.458 7.393 -5.045 516 HA SER 68 HA SER 68 9.667 6.382 -3.004 517 1HB SER 68 2HB SER 68 11.839 6.816 -2.217 518 2HB SER 68 1HB SER 68 11.935 8.364 -3.052 519 HG SER 68 HG SER 68 10.442 9.192 -1.585 520 H GLY 69 H GLY 69 7.556 7.099 -3.285 521 1HA GLY 69 2HA GLY 69 6.032 8.862 -2.458 522 2HA GLY 69 1HA GLY 69 7.163 10.055 -3.098 523 H GLU 70 H GLU 70 6.734 7.334 -5.119 524 HA GLU 70 HA GLU 70 5.509 8.977 -7.184 525 1HB GLU 70 2HB GLU 70 7.158 7.056 -7.551 526 2HB GLU 70 1HB GLU 70 5.811 5.966 -7.221 527 1HG GLU 70 2HG GLU 70 4.626 7.591 -9.020 528 2HG GLU 70 1HG GLU 70 6.296 7.717 -9.574 529 H LEU 71 H LEU 71 3.357 9.375 -7.283 530 HA LEU 71 HA LEU 71 1.447 7.958 -5.646 531 1HB LEU 71 2HB LEU 71 1.088 10.299 -6.293 532 2HB LEU 71 1HB LEU 71 1.018 9.833 -7.993 533 HG LEU 71 HG LEU 71 -0.947 8.400 -7.506 534 1HD1 LEU 71 1HD1 LEU 71 -0.106 8.958 -4.788 535 2HD1 LEU 71 3HD1 LEU 71 -1.798 9.402 -5.019 536 3HD1 LEU 71 2HD1 LEU 71 -1.261 7.758 -5.369 537 1HD2 LEU 71 3HD2 LEU 71 -0.821 11.241 -7.520 538 2HD2 LEU 71 2HD2 LEU 71 -2.179 10.222 -7.997 539 3HD2 LEU 71 1HD2 LEU 71 -2.043 10.789 -6.331 540 H LEU 72 H LEU 72 0.998 5.845 -6.103 541 HA LEU 72 HA LEU 72 0.972 4.913 -8.902 542 1HB LEU 72 2HB LEU 72 0.246 3.289 -6.459 543 2HB LEU 72 1HB LEU 72 0.864 2.713 -8.007 544 HG LEU 72 HG LEU 72 2.433 4.512 -6.143 545 1HD1 LEU 72 2HD1 LEU 72 1.856 1.705 -5.935 546 2HD1 LEU 72 1HD1 LEU 72 3.562 1.911 -6.329 547 3HD1 LEU 72 3HD1 LEU 72 2.887 2.693 -4.900 548 1HD2 LEU 72 2HD2 LEU 72 2.753 3.807 -8.856 549 2HD2 LEU 72 1HD2 LEU 72 3.941 4.595 -7.818 550 3HD2 LEU 72 3HD2 LEU 72 3.931 2.838 -7.970 551 H GLY 73 H GLY 73 -1.241 6.153 -6.620 552 1HA GLY 73 2HA GLY 73 -3.453 6.334 -8.251 553 2HA GLY 73 1HA GLY 73 -3.584 4.701 -7.586 554 H LYS 74 H LYS 74 -5.627 6.177 -6.845 555 HA LYS 74 HA LYS 74 -5.015 6.882 -4.015 556 1HB LYS 74 2HB LYS 74 -6.502 8.563 -6.039 557 2HB LYS 74 1HB LYS 74 -6.752 8.763 -4.304 558 1HG LYS 74 2HG LYS 74 -4.616 9.580 -3.947 559 2HG LYS 74 1HG LYS 74 -3.941 8.712 -5.326 560 1HD LYS 74 2HD LYS 74 -4.101 11.199 -5.675 561 2HD LYS 74 1HD LYS 74 -4.975 10.254 -6.881 562 1HE LYS 74 2HE LYS 74 -6.910 11.247 -6.314 563 2HE LYS 74 1HE LYS 74 -6.700 10.758 -4.632 564 1HZ LYS 74 1HZ LYS 74 -5.029 12.707 -4.587 565 2HZ LYS 74 3HZ LYS 74 -5.868 13.249 -5.958 566 3HZ LYS 74 2HZ LYS 74 -6.692 13.038 -4.487 567 H LEU 75 H LEU 75 -6.676 6.324 -2.572 568 HA LEU 75 HA LEU 75 -8.754 4.543 -3.706 569 1HB LEU 75 2HB LEU 75 -7.267 3.947 -1.688 570 2HB LEU 75 1HB LEU 75 -8.260 5.083 -0.775 571 HG LEU 75 HG LEU 75 -10.292 3.810 -1.537 572 1HD1 LEU 75 3HD1 LEU 75 -8.447 2.644 -3.296 573 2HD1 LEU 75 2HD1 LEU 75 -8.826 1.370 -2.137 574 3HD1 LEU 75 1HD1 LEU 75 -10.120 2.145 -3.050 575 1HD2 LEU 75 3HD2 LEU 75 -8.120 2.595 0.150 576 2HD2 LEU 75 2HD2 LEU 75 -9.670 3.270 0.652 577 3HD2 LEU 75 1HD2 LEU 75 -9.608 1.690 -0.133 578 H THR 76 H THR 76 -10.953 4.990 -3.558 579 HA THR 76 HA THR 76 -11.649 7.702 -2.504 580 HB THR 76 HB THR 76 -13.211 6.104 -4.547 581 HG1 THR 76 HG1 THR 76 -11.594 6.566 -5.797 582 1HG2 THR 76 1HG2 THR 76 -13.311 8.871 -3.403 583 2HG2 THR 76 3HG2 THR 76 -13.826 8.620 -5.071 584 3HG2 THR 76 2HG2 THR 76 -14.633 7.760 -3.760 585 H GLU 77 H GLU 77 -14.077 7.771 -1.831 586 HA GLU 77 HA GLU 77 -14.458 5.762 0.232 587 1HB GLU 77 2HB GLU 77 -16.155 8.061 -0.765 588 2HB GLU 77 1HB GLU 77 -16.675 6.993 0.539 589 1HG GLU 77 2HG GLU 77 -14.057 7.679 1.225 590 2HG GLU 77 1HG GLU 77 -14.750 9.180 0.606 591 H GLY 78 H GLY 78 -16.825 6.766 -2.253 592 1HA GLY 78 2HA GLY 78 -17.268 3.890 -2.888 593 2HA GLY 78 1HA GLY 78 -18.648 4.877 -2.398 594 H GLY 79 HN GLY 79 -19.638 4.577 -4.486 595 1HA GLY 79 2HA GLY 79 -18.270 5.349 -6.925 596 2HA GLY 79 1HA GLY 79 -20.002 5.053 -6.765 No H/Q in entry = 596 Start of MODEL 10 1 1H ALA 1 1H ALA 1 -10.058 9.196 3.164 2 2H ALA 1 3H ALA 1 -10.645 10.560 2.342 3 3H ALA 1 2H ALA 1 -11.563 9.131 2.377 4 HA ALA 1 HA ALA 1 -10.618 8.463 0.510 5 1HB ALA 1 2HB ALA 1 -9.814 11.175 0.757 6 2HB ALA 1 1HB ALA 1 -8.409 10.275 0.186 7 3HB ALA 1 3HB ALA 1 -9.921 10.215 -0.718 8 H ILE 2 H ILE 2 -8.433 7.661 -0.436 9 HA ILE 2 HA ILE 2 -6.416 7.107 1.666 10 HB ILE 2 HB ILE 2 -7.780 4.913 0.072 11 1HG1 ILE 2 2HG1 ILE 2 -9.169 5.915 1.914 12 2HG1 ILE 2 1HG1 ILE 2 -8.755 4.223 2.190 13 1HG2 ILE 2 1HG2 ILE 2 -5.367 4.542 0.578 14 2HG2 ILE 2 3HG2 ILE 2 -5.716 4.778 2.291 15 3HG2 ILE 2 2HG2 ILE 2 -6.414 3.406 1.429 16 1HD1 ILE 2 3HD1 ILE 2 -6.762 6.121 3.233 17 2HD1 ILE 2 2HD1 ILE 2 -8.343 6.248 4.005 18 3HD1 ILE 2 1HD1 ILE 2 -7.482 4.708 4.005 19 H ASP 3 H ASP 3 -4.805 8.173 0.514 20 HA ASP 3 HA ASP 3 -4.458 7.723 -2.358 21 1HB ASP 3 2HB ASP 3 -3.897 9.897 -1.241 22 2HB ASP 3 1HB ASP 3 -2.580 9.075 -0.395 23 H ILE 4 H ILE 4 -3.142 6.201 -3.275 24 HA ILE 4 HA ILE 4 -1.552 4.492 -1.418 25 HB ILE 4 HB ILE 4 -2.389 3.916 -4.275 26 1HG1 ILE 4 2HG1 ILE 4 -3.612 2.758 -1.765 27 2HG1 ILE 4 1HG1 ILE 4 -4.259 4.213 -2.523 28 1HG2 ILE 4 2HG2 ILE 4 -0.619 2.634 -2.387 29 2HG2 ILE 4 1HG2 ILE 4 -1.985 1.577 -2.741 30 3HG2 ILE 4 3HG2 ILE 4 -0.974 2.180 -4.054 31 1HD1 ILE 4 1HD1 ILE 4 -3.756 2.052 -4.439 32 2HD1 ILE 4 3HD1 ILE 4 -4.940 1.619 -3.206 33 3HD1 ILE 4 2HD1 ILE 4 -5.199 3.042 -4.217 34 H LYS 5 H LYS 5 0.430 5.550 -1.300 35 HA LYS 5 HA LYS 5 1.757 6.231 -3.886 36 1HB LYS 5 2HB LYS 5 2.823 7.032 -1.192 37 2HB LYS 5 1HB LYS 5 3.014 7.841 -2.747 38 1HG LYS 5 2HG LYS 5 0.355 8.017 -2.557 39 2HG LYS 5 1HG LYS 5 0.724 7.926 -0.833 40 1HD LYS 5 2HD LYS 5 2.527 9.744 -1.392 41 2HD LYS 5 1HD LYS 5 1.546 10.015 -2.833 42 1HE LYS 5 2HE LYS 5 0.256 11.351 -1.548 43 2HE LYS 5 1HE LYS 5 -0.328 9.875 -0.781 44 1HZ LYS 5 2HZ LYS 5 2.154 11.221 0.099 45 2HZ LYS 5 1HZ LYS 5 0.633 11.647 0.725 46 3HZ LYS 5 3HZ LYS 5 1.225 10.071 0.936 47 H ALA 6 H ALA 6 4.301 5.957 -3.597 48 HA ALA 6 HA ALA 6 4.733 3.110 -3.130 49 1HB ALA 6 1HB ALA 6 6.164 5.325 -4.394 50 2HB ALA 6 3HB ALA 6 7.235 4.272 -3.468 51 3HB ALA 6 2HB ALA 6 6.231 3.600 -4.752 52 HA PRO 7 HA PRO 7 6.367 3.309 0.934 53 1HB PRO 7 2HB PRO 7 8.373 1.434 0.792 54 2HB PRO 7 1HB PRO 7 6.649 1.024 0.830 55 1HG PRO 7 2HG PRO 7 8.543 0.963 -1.474 56 2HG PRO 7 1HG PRO 7 7.073 0.012 -1.205 57 1HD PRO 7 2HD PRO 7 7.297 2.264 -2.904 58 2HD PRO 7 1HD PRO 7 5.779 1.517 -2.354 59 H THR 8 H THR 8 8.225 4.028 2.211 60 HA THR 8 HA THR 8 9.819 6.041 0.956 61 HB THR 8 HB THR 8 9.308 6.095 3.358 62 HG1 THR 8 HG1 THR 8 11.099 7.209 3.123 63 1HG2 THR 8 2HG2 THR 8 9.650 3.467 3.418 64 2HG2 THR 8 1HG2 THR 8 11.294 3.917 3.872 65 3HG2 THR 8 3HG2 THR 8 9.930 4.444 4.858 66 H PHE 9 H PHE 9 12.024 6.023 0.355 67 HA PHE 9 HA PHE 9 13.326 3.333 0.289 68 1HB PHE 9 2HB PHE 9 13.176 5.387 -1.937 69 2HB PHE 9 1HB PHE 9 14.251 3.985 -1.961 70 HD1 PHE 9 HD1 PHE 9 12.629 1.866 -0.778 71 HD2 PHE 9 HD2 PHE 9 11.490 4.973 -3.520 72 HE1 PHE 9 HE1 PHE 9 10.768 0.451 -1.609 73 HE2 PHE 9 HE2 PHE 9 9.629 3.558 -4.351 74 HZ PHE 9 HZ PHE 9 9.268 1.297 -3.396 75 HA PRO 10 HA PRO 10 16.222 6.279 2.200 76 1HB PRO 10 2HB PRO 10 17.185 4.442 4.005 77 2HB PRO 10 1HB PRO 10 15.743 5.432 4.291 78 1HG PRO 10 2HG PRO 10 15.926 2.536 3.600 79 2HG PRO 10 1HG PRO 10 14.656 3.401 4.481 80 1HD PRO 10 2HD PRO 10 14.535 2.585 1.772 81 2HD PRO 10 1HD PRO 10 13.430 3.729 2.571 82 H GLU 11 H GLU 11 18.680 5.246 3.032 83 HA GLU 11 HA GLU 11 20.158 4.983 0.661 84 1HB GLU 11 2HB GLU 11 21.101 5.443 2.950 85 2HB GLU 11 1HB GLU 11 20.898 3.730 3.321 86 1HG GLU 11 2HG GLU 11 22.209 3.873 0.808 87 2HG GLU 11 1HG GLU 11 23.034 5.007 1.880 88 H SER 12 H SER 12 19.206 2.326 2.870 89 HA SER 12 HA SER 12 20.159 0.137 1.502 90 1HB SER 12 2HB SER 12 18.834 0.006 3.601 91 2HB SER 12 1HB SER 12 17.370 0.356 2.679 92 HG SER 12 HG SER 12 19.022 -1.923 2.658 93 H ILE 13 H ILE 13 16.884 1.483 0.914 94 HA ILE 13 HA ILE 13 16.980 0.237 -1.791 95 HB ILE 13 HB ILE 13 14.605 1.463 -0.361 96 1HG1 ILE 13 2HG1 ILE 13 15.154 -1.490 -0.649 97 2HG1 ILE 13 1HG1 ILE 13 15.781 -0.588 0.730 98 1HG2 ILE 13 1HG2 ILE 13 14.905 -0.326 -2.789 99 2HG2 ILE 13 3HG2 ILE 13 13.362 0.025 -2.012 100 3HG2 ILE 13 2HG2 ILE 13 14.290 1.326 -2.758 101 1HD1 ILE 13 2HD1 ILE 13 13.390 0.261 1.076 102 2HD1 ILE 13 1HD1 ILE 13 12.894 -0.984 -0.071 103 3HD1 ILE 13 3HD1 ILE 13 13.673 -1.441 1.443 104 H ALA 14 H ALA 14 17.543 1.576 -3.430 105 HA ALA 14 HA ALA 14 17.237 4.506 -3.052 106 1HB ALA 14 1HB ALA 14 19.342 3.110 -4.009 107 2HB ALA 14 3HB ALA 14 18.484 3.413 -5.521 108 3HB ALA 14 2HB ALA 14 18.991 4.765 -4.508 109 H ASP 15 H ASP 15 15.405 2.034 -4.248 110 HA ASP 15 HA ASP 15 13.599 3.789 -5.631 111 1HB ASP 15 2HB ASP 15 13.934 2.411 -7.870 112 2HB ASP 15 1HB ASP 15 14.916 3.839 -7.545 113 H GLY 16 H GLY 16 12.120 2.125 -7.137 114 1HA GLY 16 2HA GLY 16 11.857 -0.495 -5.823 115 2HA GLY 16 1HA GLY 16 10.528 0.626 -5.529 116 H THR 17 H THR 17 9.884 -1.673 -6.826 117 HA THR 17 HA THR 17 9.126 -0.655 -9.494 118 HB THR 17 HB THR 17 10.715 -3.200 -9.059 119 HG1 THR 17 HG1 THR 17 11.776 -2.018 -10.954 120 1HG2 THR 17 3HG2 THR 17 8.591 -2.728 -10.892 121 2HG2 THR 17 2HG2 THR 17 10.097 -2.696 -11.810 122 3HG2 THR 17 1HG2 THR 17 9.687 -4.108 -10.836 123 H VAL 18 H VAL 18 6.962 -0.991 -9.571 124 HA VAL 18 HA VAL 18 5.399 -2.426 -7.785 125 HB VAL 18 HB VAL 18 4.853 -2.194 -10.761 126 1HG1 VAL 18 1HG1 VAL 18 3.189 -2.819 -8.333 127 2HG1 VAL 18 3HG1 VAL 18 2.451 -2.028 -9.726 128 3HG1 VAL 18 2HG1 VAL 18 3.199 -3.615 -9.907 129 1HG2 VAL 18 1HG2 VAL 18 5.249 -0.160 -8.828 130 2HG2 VAL 18 3HG2 VAL 18 4.593 0.025 -10.455 131 3HG2 VAL 18 2HG2 VAL 18 3.508 -0.258 -9.093 132 H ALA 19 H ALA 19 4.145 -4.512 -8.263 133 HA ALA 19 HA ALA 19 6.044 -6.535 -9.379 134 1HB ALA 19 2HB ALA 19 5.119 -6.434 -6.828 135 2HB ALA 19 1HB ALA 19 3.866 -7.427 -7.573 136 3HB ALA 19 3HB ALA 19 5.554 -7.938 -7.640 137 H THR 20 H THR 20 2.542 -6.522 -8.635 138 HA THR 20 HA THR 20 1.869 -6.833 -11.469 139 HB THR 20 HB THR 20 1.607 -9.130 -9.514 140 HG1 THR 20 HG1 THR 20 2.593 -9.077 -12.161 141 1HG2 THR 20 3HG2 THR 20 -0.532 -8.748 -10.728 142 2HG2 THR 20 2HG2 THR 20 0.345 -8.851 -12.255 143 3HG2 THR 20 1HG2 THR 20 0.246 -10.258 -11.197 144 H TRP 21 H TRP 21 -0.193 -6.068 -11.807 145 HA TRP 21 HA TRP 21 -1.713 -5.195 -9.444 146 1HB TRP 21 2HB TRP 21 -1.677 -4.584 -12.362 147 2HB TRP 21 1HB TRP 21 -3.196 -4.359 -11.504 148 HD1 TRP 21 HD1 TRP 21 0.278 -2.936 -11.873 149 HE1 TRP 21 HE1 TRP 21 0.462 -0.759 -10.494 150 HE3 TRP 21 HE3 TRP 21 -4.128 -3.129 -9.284 151 HZ2 TRP 21 HZ2 TRP 21 -1.027 0.689 -8.582 152 HZ3 TRP 21 HZ3 TRP 21 -4.718 -1.327 -7.684 153 HH2 TRP 21 HH2 TRP 21 -3.174 0.585 -7.328 154 H HIS 22 H HIS 22 -2.399 -7.337 -8.743 155 HA HIS 22 HA HIS 22 -3.644 -9.353 -10.184 156 1HB HIS 22 2HB HIS 22 -5.049 -8.462 -7.686 157 2HB HIS 22 1HB HIS 22 -4.623 -10.095 -8.209 158 HD1 HIS 22 HD1 HIS 22 -3.116 -6.987 -6.706 159 HD2 HIS 22 HD2 HIS 22 -2.054 -10.952 -7.411 160 HE1 HIS 22 HE1 HIS 22 -0.883 -7.331 -5.598 161 H LYS 23 H LYS 23 -5.665 -6.889 -8.556 162 HA LYS 23 HA LYS 23 -7.633 -7.213 -10.767 163 1HB LYS 23 2HB LYS 23 -7.834 -6.817 -7.909 164 2HB LYS 23 1HB LYS 23 -8.697 -5.536 -8.762 165 1HG LYS 23 2HG LYS 23 -10.024 -7.127 -9.979 166 2HG LYS 23 1HG LYS 23 -9.031 -8.473 -9.418 167 1HD LYS 23 2HD LYS 23 -9.775 -7.401 -7.036 168 2HD LYS 23 1HD LYS 23 -11.187 -7.003 -8.013 169 1HE LYS 23 2HE LYS 23 -10.248 -9.728 -8.488 170 2HE LYS 23 1HE LYS 23 -10.690 -9.457 -6.803 171 1HZ LYS 23 2HZ LYS 23 -12.661 -8.214 -8.208 172 2HZ LYS 23 1HZ LYS 23 -12.362 -9.617 -9.120 173 3HZ LYS 23 3HZ LYS 23 -12.775 -9.744 -7.479 174 H LYS 24 H LYS 24 -8.960 -4.858 -10.769 175 HA LYS 24 HA LYS 24 -6.852 -2.799 -11.296 176 1HB LYS 24 2HB LYS 24 -8.965 -3.886 -13.054 177 2HB LYS 24 1HB LYS 24 -8.856 -2.126 -13.032 178 1HG LYS 24 2HG LYS 24 -6.454 -2.252 -13.544 179 2HG LYS 24 1HG LYS 24 -6.537 -4.014 -13.536 180 1HD LYS 24 2HD LYS 24 -8.568 -3.347 -15.275 181 2HD LYS 24 1HD LYS 24 -7.357 -2.113 -15.624 182 1HE LYS 24 2HE LYS 24 -5.952 -4.556 -15.342 183 2HE LYS 24 1HE LYS 24 -7.347 -4.895 -16.366 184 1HZ LYS 24 2HZ LYS 24 -5.425 -2.669 -16.777 185 2HZ LYS 24 1HZ LYS 24 -5.430 -4.131 -17.645 186 3HZ LYS 24 3HZ LYS 24 -6.737 -3.059 -17.783 187 HA PRO 25 HA PRO 25 -9.329 -0.011 -8.989 188 1HB PRO 25 2HB PRO 25 -8.992 2.322 -10.407 189 2HB PRO 25 1HB PRO 25 -7.732 1.604 -9.388 190 1HG PRO 25 2HG PRO 25 -7.947 1.637 -12.366 191 2HG PRO 25 1HG PRO 25 -6.502 1.546 -11.346 192 1HD PRO 25 2HD PRO 25 -7.703 -0.628 -12.689 193 2HD PRO 25 1HD PRO 25 -6.501 -0.747 -11.388 194 H GLY 26 H GLY 26 -11.522 0.350 -8.898 195 1HA GLY 26 2HA GLY 26 -13.490 1.488 -9.943 196 2HA GLY 26 1HA GLY 26 -12.967 0.792 -11.483 197 H GLU 27 H GLU 27 -12.255 -1.666 -9.616 198 HA GLU 27 HA GLU 27 -14.856 -2.985 -10.083 199 1HB GLU 27 2HB GLU 27 -12.331 -4.215 -8.951 200 2HB GLU 27 1HB GLU 27 -13.687 -5.048 -9.711 201 1HG GLU 27 2HG GLU 27 -12.568 -2.987 -11.446 202 2HG GLU 27 1HG GLU 27 -11.363 -4.194 -10.995 203 H ALA 28 H ALA 28 -15.142 -4.790 -8.124 204 HA ALA 28 HA ALA 28 -15.945 -3.169 -5.846 205 1HB ALA 28 3HB ALA 28 -16.061 -6.113 -6.493 206 2HB ALA 28 2HB ALA 28 -16.491 -5.517 -4.890 207 3HB ALA 28 1HB ALA 28 -17.396 -4.976 -6.303 208 H VAL 29 H VAL 29 -14.955 -3.051 -3.832 209 HA VAL 29 HA VAL 29 -12.417 -4.595 -3.498 210 HB VAL 29 HB VAL 29 -12.894 -1.715 -2.674 211 1HG1 VAL 29 3HG1 VAL 29 -10.724 -3.713 -2.223 212 2HG1 VAL 29 2HG1 VAL 29 -10.237 -2.049 -2.550 213 3HG1 VAL 29 1HG1 VAL 29 -11.284 -2.408 -1.177 214 1HG2 VAL 29 3HG2 VAL 29 -11.540 -2.994 -5.040 215 2HG2 VAL 29 2HG2 VAL 29 -12.633 -1.611 -5.006 216 3HG2 VAL 29 1HG2 VAL 29 -10.975 -1.438 -4.432 217 H LYS 30 H LYS 30 -11.797 -4.841 -1.181 218 HA LYS 30 HA LYS 30 -13.916 -4.343 0.805 219 1HB LYS 30 2HB LYS 30 -14.309 -6.609 -0.452 220 2HB LYS 30 1HB LYS 30 -12.955 -7.179 0.526 221 1HG LYS 30 2HG LYS 30 -14.797 -7.679 1.887 222 2HG LYS 30 1HG LYS 30 -14.273 -6.117 2.519 223 1HD LYS 30 2HD LYS 30 -16.219 -5.147 1.934 224 2HD LYS 30 1HD LYS 30 -16.093 -5.766 0.287 225 1HE LYS 30 2HE LYS 30 -17.097 -7.860 0.908 226 2HE LYS 30 1HE LYS 30 -17.003 -7.461 2.623 227 1HZ LYS 30 1HZ LYS 30 -18.440 -5.604 0.890 228 2HZ LYS 30 3HZ LYS 30 -19.189 -7.091 1.217 229 3HZ LYS 30 2HZ LYS 30 -18.758 -6.059 2.496 230 H ARG 31 H ARG 31 -13.026 -4.097 2.836 231 HA ARG 31 HA ARG 31 -10.363 -3.571 3.280 232 1HB ARG 31 2HB ARG 31 -12.200 -3.227 4.945 233 2HB ARG 31 1HB ARG 31 -12.161 -4.956 5.290 234 1HG ARG 31 2HG ARG 31 -9.481 -3.917 5.399 235 2HG ARG 31 1HG ARG 31 -10.527 -2.929 6.420 236 1HD ARG 31 2HD ARG 31 -10.155 -5.932 6.546 237 2HD ARG 31 1HD ARG 31 -9.715 -4.750 7.777 238 HE ARG 31 HE ARG 31 -12.250 -4.296 7.913 239 1HH1 ARG 31 2HH1 ARG 31 -10.704 -7.222 8.247 240 2HH1 ARG 31 1HH1 ARG 31 -12.124 -8.205 8.112 241 1HH2 ARG 31 1HH2 ARG 31 -14.172 -5.580 7.142 242 2HH2 ARG 31 2HH2 ARG 31 -14.086 -7.275 7.488 243 H ASP 32 H ASP 32 -8.502 -4.762 3.681 244 HA ASP 32 HA ASP 32 -7.106 -6.646 3.840 245 1HB ASP 32 2HB ASP 32 -8.870 -7.265 5.620 246 2HB ASP 32 1HB ASP 32 -9.576 -8.299 4.377 247 H GLU 33 H GLU 33 -7.839 -5.875 1.313 248 HA GLU 33 HA GLU 33 -8.129 -8.509 -0.061 249 1HB GLU 33 2HB GLU 33 -10.260 -7.103 -0.126 250 2HB GLU 33 1HB GLU 33 -9.356 -5.947 -1.105 251 1HG GLU 33 2HG GLU 33 -8.802 -8.410 -2.292 252 2HG GLU 33 1HG GLU 33 -10.515 -8.510 -1.876 253 H LEU 34 H LEU 34 -6.036 -8.728 -0.786 254 HA LEU 34 HA LEU 34 -4.136 -6.834 -1.388 255 1HB LEU 34 2HB LEU 34 -3.734 -9.269 -1.534 256 2HB LEU 34 1HB LEU 34 -4.685 -9.331 -3.019 257 HG LEU 34 HG LEU 34 -3.084 -7.626 -3.996 258 1HD1 LEU 34 1HD1 LEU 34 -2.106 -7.746 -1.277 259 2HD1 LEU 34 3HD1 LEU 34 -0.823 -8.194 -2.401 260 3HD1 LEU 34 2HD1 LEU 34 -1.642 -6.642 -2.572 261 1HD2 LEU 34 3HD2 LEU 34 -2.268 -10.407 -3.173 262 2HD2 LEU 34 2HD2 LEU 34 -2.740 -9.818 -4.768 263 3HD2 LEU 34 1HD2 LEU 34 -1.161 -9.397 -4.103 264 H ILE 35 H ILE 35 -3.526 -5.672 -3.309 265 HA ILE 35 HA ILE 35 -5.559 -5.548 -5.474 266 HB ILE 35 HB ILE 35 -4.457 -2.996 -4.317 267 1HG1 ILE 35 2HG1 ILE 35 -6.966 -4.460 -3.430 268 2HG1 ILE 35 1HG1 ILE 35 -5.526 -4.192 -2.445 269 1HG2 ILE 35 3HG2 ILE 35 -6.721 -3.844 -6.103 270 2HG2 ILE 35 2HG2 ILE 35 -6.837 -2.328 -5.209 271 3HG2 ILE 35 1HG2 ILE 35 -5.520 -2.577 -6.356 272 1HD1 ILE 35 2HD1 ILE 35 -6.086 -1.647 -3.299 273 2HD1 ILE 35 1HD1 ILE 35 -7.705 -2.328 -3.133 274 3HD1 ILE 35 3HD1 ILE 35 -6.606 -2.316 -1.752 275 H VAL 36 H VAL 36 -2.357 -4.552 -4.293 276 HA VAL 36 HA VAL 36 -1.266 -5.056 -6.986 277 HB VAL 36 HB VAL 36 -1.967 -2.649 -6.985 278 1HG1 VAL 36 1HG1 VAL 36 -1.596 -2.272 -4.552 279 2HG1 VAL 36 3HG1 VAL 36 0.143 -2.410 -4.817 280 3HG1 VAL 36 2HG1 VAL 36 -0.758 -1.079 -5.544 281 1HG2 VAL 36 3HG2 VAL 36 0.907 -3.505 -7.203 282 2HG2 VAL 36 2HG2 VAL 36 -0.216 -3.044 -8.483 283 3HG2 VAL 36 1HG2 VAL 36 0.489 -1.809 -7.440 284 H ASP 37 H ASP 37 0.669 -6.072 -6.738 285 HA ASP 37 HA ASP 37 1.878 -6.146 -4.044 286 1HB ASP 37 2HB ASP 37 2.131 -7.753 -6.556 287 2HB ASP 37 1HB ASP 37 3.489 -7.750 -5.430 288 H ILE 38 H ILE 38 4.299 -5.893 -3.891 289 HA ILE 38 HA ILE 38 5.388 -4.016 -5.934 290 HB ILE 38 HB ILE 38 5.395 -3.602 -2.929 291 1HG1 ILE 38 2HG1 ILE 38 4.388 -1.747 -5.095 292 2HG1 ILE 38 1HG1 ILE 38 3.348 -2.967 -4.360 293 1HG2 ILE 38 3HG2 ILE 38 6.898 -2.243 -5.171 294 2HG2 ILE 38 2HG2 ILE 38 6.587 -1.435 -3.635 295 3HG2 ILE 38 1HG2 ILE 38 7.546 -2.914 -3.675 296 1HD1 ILE 38 2HD1 ILE 38 4.913 -0.991 -2.695 297 2HD1 ILE 38 1HD1 ILE 38 3.296 -0.630 -3.298 298 3HD1 ILE 38 3HD1 ILE 38 3.545 -1.989 -2.202 299 H GLU 39 H GLU 39 7.710 -4.040 -6.054 300 HA GLU 39 HA GLU 39 9.084 -6.096 -4.400 301 1HB GLU 39 2HB GLU 39 10.259 -6.770 -6.632 302 2HB GLU 39 1HB GLU 39 8.652 -7.415 -6.296 303 1HG GLU 39 2HG GLU 39 7.700 -5.460 -7.593 304 2HG GLU 39 1HG GLU 39 9.351 -5.069 -8.079 305 H THR 40 H THR 40 11.130 -5.449 -3.825 306 HA THR 40 HA THR 40 12.292 -3.119 -5.293 307 HB THR 40 HB THR 40 11.246 -2.607 -2.989 308 HG1 THR 40 HG1 THR 40 13.102 -1.531 -4.219 309 1HG2 THR 40 3HG2 THR 40 12.201 -4.699 -1.944 310 2HG2 THR 40 2HG2 THR 40 13.790 -3.937 -2.030 311 3HG2 THR 40 1HG2 THR 40 12.519 -3.218 -1.040 312 H ASP 41 H ASP 41 14.699 -3.023 -3.805 313 HA ASP 41 HA ASP 41 16.403 -4.737 -5.109 314 1HB ASP 41 2HB ASP 41 17.149 -2.911 -3.604 315 2HB ASP 41 1HB ASP 41 16.696 -3.894 -2.212 316 H LYS 42 H LYS 42 15.266 -5.398 -1.772 317 HA LYS 42 HA LYS 42 14.962 -8.252 -2.480 318 1HB LYS 42 2HB LYS 42 16.936 -7.207 -0.438 319 2HB LYS 42 1HB LYS 42 16.331 -8.863 -0.405 320 1HG LYS 42 2HG LYS 42 17.235 -9.330 -2.580 321 2HG LYS 42 1HG LYS 42 17.611 -7.628 -2.854 322 1HD LYS 42 2HD LYS 42 19.639 -7.949 -1.941 323 2HD LYS 42 1HD LYS 42 18.864 -8.371 -0.413 324 1HE LYS 42 2HE LYS 42 19.559 -10.254 -2.685 325 2HE LYS 42 1HE LYS 42 20.267 -10.231 -1.069 326 1HZ LYS 42 3HZ LYS 42 17.551 -10.409 -0.682 327 2HZ LYS 42 2HZ LYS 42 17.875 -11.476 -1.964 328 3HZ LYS 42 1HZ LYS 42 18.688 -11.650 -0.482 329 H VAL 43 H VAL 43 12.957 -6.413 -1.862 330 HA VAL 43 HA VAL 43 11.853 -7.646 0.570 331 HB VAL 43 HB VAL 43 12.181 -4.637 0.365 332 1HG1 VAL 43 3HG1 VAL 43 10.081 -5.422 1.462 333 2HG1 VAL 43 2HG1 VAL 43 11.056 -6.365 2.589 334 3HG1 VAL 43 1HG1 VAL 43 11.167 -4.605 2.587 335 1HG2 VAL 43 1HG2 VAL 43 13.583 -6.767 1.989 336 2HG2 VAL 43 3HG2 VAL 43 14.305 -5.518 0.974 337 3HG2 VAL 43 2HG2 VAL 43 13.545 -5.082 2.505 338 H VAL 44 H VAL 44 9.977 -8.362 -0.351 339 HA VAL 44 HA VAL 44 8.547 -6.593 -2.260 340 HB VAL 44 HB VAL 44 8.805 -8.892 -2.987 341 1HG1 VAL 44 2HG1 VAL 44 7.960 -9.427 -0.182 342 2HG1 VAL 44 1HG1 VAL 44 7.405 -10.565 -1.411 343 3HG1 VAL 44 3HG1 VAL 44 9.131 -10.282 -1.187 344 1HG2 VAL 44 3HG2 VAL 44 6.246 -7.652 -2.496 345 2HG2 VAL 44 2HG2 VAL 44 6.736 -8.668 -3.852 346 3HG2 VAL 44 1HG2 VAL 44 6.084 -9.405 -2.388 347 H MET 45 H MET 45 6.537 -5.712 -1.786 348 HA MET 45 HA MET 45 5.360 -6.381 0.877 349 1HB MET 45 2HB MET 45 6.052 -3.685 -0.269 350 2HB MET 45 1HB MET 45 4.719 -3.844 0.876 351 1HG MET 45 2HG MET 45 6.801 -5.343 2.001 352 2HG MET 45 1HG MET 45 7.581 -3.888 1.378 353 1HE MET 45 2HE MET 45 7.223 -5.151 4.107 354 2HE MET 45 1HE MET 45 7.910 -3.578 4.498 355 3HE MET 45 3HE MET 45 6.441 -4.133 5.313 356 H GLU 46 H GLU 46 3.164 -6.693 0.807 357 HA GLU 46 HA GLU 46 1.849 -6.448 -1.826 358 1HB GLU 46 2HB GLU 46 0.781 -7.555 0.790 359 2HB GLU 46 1HB GLU 46 0.031 -7.726 -0.798 360 1HG GLU 46 2HG GLU 46 1.699 -9.179 -1.576 361 2HG GLU 46 1HG GLU 46 2.858 -8.655 -0.353 362 H VAL 47 H VAL 47 -0.113 -5.236 -2.116 363 HA VAL 47 HA VAL 47 -0.576 -3.158 -0.012 364 HB VAL 47 HB VAL 47 -0.673 -2.860 -3.030 365 1HG1 VAL 47 1HG1 VAL 47 -1.910 -1.343 -0.854 366 2HG1 VAL 47 3HG1 VAL 47 -0.862 -0.347 -1.864 367 3HG1 VAL 47 2HG1 VAL 47 -2.193 -1.244 -2.592 368 1HG2 VAL 47 3HG2 VAL 47 1.537 -2.821 -1.510 369 2HG2 VAL 47 2HG2 VAL 47 1.326 -1.715 -2.868 370 3HG2 VAL 47 1HG2 VAL 47 0.998 -1.167 -1.225 371 H LEU 48 H LEU 48 -2.463 -3.899 0.917 372 HA LEU 48 HA LEU 48 -4.652 -4.786 -0.881 373 1HB LEU 48 2HB LEU 48 -5.578 -5.219 1.644 374 2HB LEU 48 1HB LEU 48 -4.699 -6.416 0.705 375 HG LEU 48 HG LEU 48 -2.574 -5.572 1.730 376 1HD1 LEU 48 1HD1 LEU 48 -4.224 -3.433 2.494 377 2HD1 LEU 48 3HD1 LEU 48 -3.868 -4.289 3.994 378 3HD1 LEU 48 2HD1 LEU 48 -2.550 -3.695 2.983 379 1HD2 LEU 48 1HD2 LEU 48 -4.789 -6.580 3.536 380 2HD2 LEU 48 3HD2 LEU 48 -3.559 -7.536 2.706 381 3HD2 LEU 48 2HD2 LEU 48 -3.103 -6.483 4.047 382 H ALA 49 H ALA 49 -6.904 -4.077 -0.023 383 HA ALA 49 HA ALA 49 -6.845 -1.146 0.209 384 1HB ALA 49 2HB ALA 49 -8.780 -3.192 -0.603 385 2HB ALA 49 1HB ALA 49 -9.498 -1.928 0.394 386 3HB ALA 49 3HB ALA 49 -8.659 -1.504 -1.099 387 H GLU 50 H GLU 50 -7.282 -0.014 2.069 388 HA GLU 50 HA GLU 50 -7.501 -1.545 4.569 389 1HB GLU 50 2HB GLU 50 -6.447 0.975 3.822 390 2HB GLU 50 1HB GLU 50 -7.779 1.303 4.932 391 1HG GLU 50 2HG GLU 50 -5.824 -0.871 5.603 392 2HG GLU 50 1HG GLU 50 -5.369 0.810 5.883 393 H ALA 51 H ALA 51 -9.738 -0.937 2.384 394 HA ALA 51 HA ALA 51 -11.974 -1.250 4.063 395 1HB ALA 51 2HB ALA 51 -11.321 1.636 3.424 396 2HB ALA 51 1HB ALA 51 -12.939 1.102 3.880 397 3HB ALA 51 3HB ALA 51 -11.597 0.920 5.011 398 H ASP 52 H ASP 52 -13.975 -1.206 2.840 399 HA ASP 52 HA ASP 52 -13.606 -1.773 0.036 400 1HB ASP 52 2HB ASP 52 -15.415 -2.939 0.842 401 2HB ASP 52 1HB ASP 52 -15.914 -1.649 1.930 402 H GLY 53 H GLY 53 -15.046 -0.600 -1.624 403 1HA GLY 53 2HA GLY 53 -16.118 1.859 -1.674 404 2HA GLY 53 1HA GLY 53 -14.422 2.289 -1.425 405 H VAL 54 H VAL 54 -14.124 3.246 -3.472 406 HA VAL 54 HA VAL 54 -14.003 1.296 -5.719 407 HB VAL 54 HB VAL 54 -15.328 4.018 -5.762 408 1HG1 VAL 54 3HG1 VAL 54 -14.201 2.325 -7.979 409 2HG1 VAL 54 2HG1 VAL 54 -15.612 3.341 -8.271 410 3HG1 VAL 54 1HG1 VAL 54 -14.092 4.070 -7.754 411 1HG2 VAL 54 1HG2 VAL 54 -16.605 1.899 -5.105 412 2HG2 VAL 54 3HG2 VAL 54 -17.272 2.810 -6.459 413 3HG2 VAL 54 2HG2 VAL 54 -16.338 1.344 -6.758 414 H ILE 55 H ILE 55 -12.027 1.393 -6.671 415 HA ILE 55 HA ILE 55 -10.096 3.400 -5.840 416 HB ILE 55 HB ILE 55 -9.576 1.689 -8.231 417 1HG1 ILE 55 2HG1 ILE 55 -10.777 0.067 -6.958 418 2HG1 ILE 55 1HG1 ILE 55 -9.081 -0.219 -6.585 419 1HG2 ILE 55 1HG2 ILE 55 -8.061 3.241 -6.526 420 2HG2 ILE 55 3HG2 ILE 55 -7.800 1.616 -5.891 421 3HG2 ILE 55 2HG2 ILE 55 -7.425 1.975 -7.577 422 1HD1 ILE 55 3HD1 ILE 55 -9.809 1.687 -4.713 423 2HD1 ILE 55 2HD1 ILE 55 -11.243 0.667 -4.822 424 3HD1 ILE 55 1HD1 ILE 55 -9.682 -0.045 -4.412 425 H ALA 56 H ALA 56 -8.781 4.547 -7.660 426 HA ALA 56 HA ALA 56 -10.763 5.842 -9.476 427 1HB ALA 56 3HB ALA 56 -9.414 7.221 -7.795 428 2HB ALA 56 2HB ALA 56 -7.999 6.860 -8.784 429 3HB ALA 56 1HB ALA 56 -9.346 7.766 -9.471 430 H GLU 57 H GLU 57 -7.246 5.139 -9.561 431 HA GLU 57 HA GLU 57 -7.355 3.482 -11.876 432 1HB GLU 57 2HB GLU 57 -7.841 6.172 -12.493 433 2HB GLU 57 1HB GLU 57 -6.144 5.918 -12.907 434 1HG GLU 57 2HG GLU 57 -7.570 3.624 -13.792 435 2HG GLU 57 1HG GLU 57 -8.476 5.038 -14.331 436 H ILE 58 H ILE 58 -5.168 2.993 -12.681 437 HA ILE 58 HA ILE 58 -3.142 3.484 -10.573 438 HB ILE 58 HB ILE 58 -2.820 1.725 -13.010 439 1HG1 ILE 58 2HG1 ILE 58 -3.508 0.144 -10.772 440 2HG1 ILE 58 1HG1 ILE 58 -4.705 1.442 -10.830 441 1HG2 ILE 58 3HG2 ILE 58 -1.623 1.764 -10.224 442 2HG2 ILE 58 2HG2 ILE 58 -1.338 0.485 -11.405 443 3HG2 ILE 58 1HG2 ILE 58 -0.792 2.130 -11.736 444 1HD1 ILE 58 1HD1 ILE 58 -4.038 0.230 -13.446 445 2HD1 ILE 58 3HD1 ILE 58 -4.874 -0.836 -12.317 446 3HD1 ILE 58 2HD1 ILE 58 -5.606 0.698 -12.788 447 H VAL 59 H VAL 59 -1.131 4.467 -11.026 448 HA VAL 59 HA VAL 59 -1.149 6.239 -13.389 449 HB VAL 59 HB VAL 59 0.632 6.052 -10.947 450 1HG1 VAL 59 1HG1 VAL 59 0.916 7.627 -13.494 451 2HG1 VAL 59 3HG1 VAL 59 1.489 8.307 -11.972 452 3HG1 VAL 59 2HG1 VAL 59 2.157 6.786 -12.566 453 1HG2 VAL 59 1HG2 VAL 59 -1.835 7.283 -11.407 454 2HG2 VAL 59 3HG2 VAL 59 -0.720 7.650 -10.091 455 3HG2 VAL 59 2HG2 VAL 59 -0.664 8.590 -11.582 456 H LYS 60 H LYS 60 1.109 3.898 -11.886 457 HA LYS 60 HA LYS 60 2.408 3.615 -14.562 458 1HB LYS 60 2HB LYS 60 3.518 4.018 -12.023 459 2HB LYS 60 1HB LYS 60 3.791 2.308 -12.362 460 1HG LYS 60 2HG LYS 60 5.666 3.583 -13.241 461 2HG LYS 60 1HG LYS 60 4.725 2.952 -14.594 462 1HD LYS 60 2HD LYS 60 3.463 5.208 -14.517 463 2HD LYS 60 1HD LYS 60 4.808 5.772 -13.525 464 1HE LYS 60 2HE LYS 60 5.603 6.325 -15.630 465 2HE LYS 60 1HE LYS 60 6.256 4.694 -15.473 466 1HZ LYS 60 3HZ LYS 60 3.563 5.048 -16.584 467 2HZ LYS 60 2HZ LYS 60 4.905 5.378 -17.573 468 3HZ LYS 60 1HZ LYS 60 4.704 3.834 -16.893 469 H ASN 61 H ASN 61 2.971 1.410 -15.234 470 HA ASN 61 HA ASN 61 0.870 -0.507 -14.446 471 1HB ASN 61 2HB ASN 61 2.934 -0.418 -16.647 472 2HB ASN 61 1HB ASN 61 2.028 -1.891 -16.303 473 1HD2 ASN 61 2HD2 ASN 61 0.206 1.176 -18.239 474 2HD2 ASN 61 1HD2 ASN 61 1.839 1.277 -17.752 475 H GLU 62 H GLU 62 1.420 -2.712 -13.801 476 HA GLU 62 HA GLU 62 3.421 -2.850 -11.775 477 1HB GLU 62 2HB GLU 62 3.003 -5.330 -11.878 478 2HB GLU 62 1HB GLU 62 1.532 -4.369 -11.725 479 1HG GLU 62 2HG GLU 62 0.855 -5.672 -13.484 480 2HG GLU 62 1HG GLU 62 1.729 -4.454 -14.419 481 H GLY 63 H GLY 63 5.501 -3.785 -11.787 482 1HA GLY 63 2HA GLY 63 7.361 -4.928 -12.813 483 2HA GLY 63 1HA GLY 63 6.564 -4.758 -14.381 484 H ASP 64 H ASP 64 6.062 -1.822 -13.289 485 HA ASP 64 HA ASP 64 8.484 -0.756 -14.593 486 1HB ASP 64 2HB ASP 64 6.698 0.443 -15.405 487 2HB ASP 64 1HB ASP 64 5.768 0.289 -13.914 488 H THR 65 H THR 65 9.421 1.284 -13.516 489 HA THR 65 HA THR 65 9.789 0.702 -10.604 490 HB THR 65 HB THR 65 11.680 2.127 -12.501 491 HG1 THR 65 HG1 THR 65 11.361 -0.177 -12.824 492 1HG2 THR 65 1HG2 THR 65 11.547 2.372 -9.795 493 2HG2 THR 65 3HG2 THR 65 12.608 0.971 -9.942 494 3HG2 THR 65 2HG2 THR 65 13.047 2.494 -10.716 495 H VAL 66 H VAL 66 9.726 2.465 -9.145 496 HA VAL 66 HA VAL 66 8.853 5.074 -10.313 497 HB VAL 66 HB VAL 66 7.295 5.307 -8.379 498 1HG1 VAL 66 1HG1 VAL 66 6.707 4.250 -10.675 499 2HG1 VAL 66 3HG1 VAL 66 6.692 2.717 -9.804 500 3HG1 VAL 66 2HG1 VAL 66 5.578 4.004 -9.342 501 1HG2 VAL 66 2HG2 VAL 66 8.750 2.999 -7.492 502 2HG2 VAL 66 1HG2 VAL 66 7.508 3.906 -6.627 503 3HG2 VAL 66 3HG2 VAL 66 7.052 2.554 -7.664 504 H LEU 67 H LEU 67 8.823 6.693 -8.208 505 HA LEU 67 HA LEU 67 11.517 6.347 -6.954 506 1HB LEU 67 2HB LEU 67 10.093 8.764 -8.042 507 2HB LEU 67 1HB LEU 67 11.312 8.951 -6.780 508 HG LEU 67 HG LEU 67 12.727 7.372 -8.371 509 1HD1 LEU 67 3HD1 LEU 67 10.762 7.105 -9.937 510 2HD1 LEU 67 2HD1 LEU 67 10.928 8.814 -10.339 511 3HD1 LEU 67 1HD1 LEU 67 12.234 7.689 -10.716 512 1HD2 LEU 67 2HD2 LEU 67 12.227 10.318 -8.915 513 2HD2 LEU 67 1HD2 LEU 67 13.350 9.663 -7.723 514 3HD2 LEU 67 3HD2 LEU 67 13.647 9.414 -9.444 515 H SER 68 H SER 68 11.636 7.782 -4.861 516 HA SER 68 HA SER 68 9.718 6.760 -2.997 517 1HB SER 68 2HB SER 68 12.168 7.810 -2.701 518 2HB SER 68 1HB SER 68 11.224 9.250 -2.332 519 HG SER 68 HG SER 68 9.994 7.695 -0.922 520 H GLY 69 H GLY 69 7.695 7.494 -2.561 521 1HA GLY 69 2HA GLY 69 6.007 9.126 -2.141 522 2HA GLY 69 1HA GLY 69 7.082 10.368 -2.785 523 H GLU 70 H GLU 70 6.733 7.499 -4.671 524 HA GLU 70 HA GLU 70 5.484 9.052 -6.821 525 1HB GLU 70 2HB GLU 70 7.266 7.398 -7.305 526 2HB GLU 70 1HB GLU 70 6.222 6.111 -6.701 527 1HG GLU 70 2HG GLU 70 5.553 5.937 -8.868 528 2HG GLU 70 1HG GLU 70 4.564 7.349 -8.495 529 H LEU 71 H LEU 71 3.306 9.349 -6.757 530 HA LEU 71 HA LEU 71 1.557 7.512 -5.312 531 1HB LEU 71 2HB LEU 71 1.146 9.980 -5.455 532 2HB LEU 71 1HB LEU 71 0.810 9.785 -7.175 533 HG LEU 71 HG LEU 71 -0.657 8.153 -5.106 534 1HD1 LEU 71 3HD1 LEU 71 -0.796 10.750 -4.808 535 2HD1 LEU 71 2HD1 LEU 71 -1.775 10.691 -6.275 536 3HD1 LEU 71 1HD1 LEU 71 -2.290 9.813 -4.835 537 1HD2 LEU 71 3HD2 LEU 71 -0.700 8.532 -8.002 538 2HD2 LEU 71 2HD2 LEU 71 -1.442 7.260 -7.031 539 3HD2 LEU 71 1HD2 LEU 71 -2.289 8.787 -7.281 540 H LEU 72 H LEU 72 0.546 5.759 -6.176 541 HA LEU 72 HA LEU 72 0.806 5.313 -9.101 542 1HB LEU 72 2HB LEU 72 -0.161 3.387 -6.967 543 2HB LEU 72 1HB LEU 72 0.313 2.989 -8.619 544 HG LEU 72 HG LEU 72 2.248 4.364 -6.765 545 1HD1 LEU 72 1HD1 LEU 72 1.296 2.240 -5.715 546 2HD1 LEU 72 3HD1 LEU 72 2.011 1.363 -7.067 547 3HD1 LEU 72 2HD1 LEU 72 3.044 2.259 -5.952 548 1HD2 LEU 72 2HD2 LEU 72 2.307 2.856 -9.351 549 2HD2 LEU 72 1HD2 LEU 72 3.171 4.323 -8.891 550 3HD2 LEU 72 3HD2 LEU 72 3.721 2.755 -8.300 551 H GLY 73 H GLY 73 -1.748 4.451 -6.746 552 1HA GLY 73 2HA GLY 73 -3.725 5.648 -8.645 553 2HA GLY 73 1HA GLY 73 -4.008 4.070 -7.900 554 H LYS 74 H LYS 74 -5.822 6.181 -7.533 555 HA LYS 74 HA LYS 74 -5.394 6.787 -4.635 556 1HB LYS 74 2HB LYS 74 -6.545 8.916 -4.947 557 2HB LYS 74 1HB LYS 74 -5.188 8.825 -6.071 558 1HG LYS 74 2HG LYS 74 -6.616 8.317 -7.912 559 2HG LYS 74 1HG LYS 74 -7.985 7.983 -6.851 560 1HD LYS 74 2HD LYS 74 -6.959 10.649 -6.369 561 2HD LYS 74 1HD LYS 74 -7.361 10.440 -8.074 562 1HE LYS 74 2HE LYS 74 -9.608 10.002 -7.630 563 2HE LYS 74 1HE LYS 74 -9.282 9.467 -5.980 564 1HZ LYS 74 3HZ LYS 74 -8.839 12.261 -6.849 565 2HZ LYS 74 2HZ LYS 74 -10.337 11.728 -6.250 566 3HZ LYS 74 1HZ LYS 74 -8.953 11.659 -5.267 567 H LEU 75 H LEU 75 -7.267 6.620 -3.319 568 HA LEU 75 HA LEU 75 -9.390 4.920 -4.478 569 1HB LEU 75 2HB LEU 75 -8.269 4.432 -2.245 570 2HB LEU 75 1HB LEU 75 -9.114 5.843 -1.607 571 HG LEU 75 HG LEU 75 -10.822 3.963 -3.113 572 1HD1 LEU 75 2HD1 LEU 75 -9.221 3.130 -0.729 573 2HD1 LEU 75 1HD1 LEU 75 -10.904 2.611 -0.817 574 3HD1 LEU 75 3HD1 LEU 75 -9.775 2.167 -2.098 575 1HD2 LEU 75 1HD2 LEU 75 -11.017 5.989 -1.101 576 2HD2 LEU 75 3HD2 LEU 75 -12.327 5.145 -1.926 577 3HD2 LEU 75 2HD2 LEU 75 -11.661 4.491 -0.430 578 H THR 76 H THR 76 -11.700 5.459 -3.825 579 HA THR 76 HA THR 76 -12.192 8.313 -4.411 580 HB THR 76 HB THR 76 -13.423 6.291 -5.478 581 HG1 THR 76 HG1 THR 76 -15.223 7.574 -5.720 582 1HG2 THR 76 1HG2 THR 76 -13.933 5.483 -3.012 583 2HG2 THR 76 3HG2 THR 76 -15.306 6.576 -3.177 584 3HG2 THR 76 2HG2 THR 76 -15.111 5.232 -4.301 585 H GLU 77 H GLU 77 -14.704 8.463 -3.131 586 HA GLU 77 HA GLU 77 -13.821 9.241 -0.452 587 1HB GLU 77 2HB GLU 77 -16.426 9.429 -1.961 588 2HB GLU 77 1HB GLU 77 -16.344 9.809 -0.239 589 1HG GLU 77 2HG GLU 77 -14.221 11.045 -1.881 590 2HG GLU 77 1HG GLU 77 -15.852 11.619 -2.227 591 H GLY 78 H GLY 78 -15.057 8.511 1.505 592 1HA GLY 78 2HA GLY 78 -16.169 5.759 1.215 593 2HA GLY 78 1HA GLY 78 -14.891 6.058 2.395 594 H GLY 79 HN GLY 79 -15.534 6.662 4.412 595 1HA GLY 79 2HA GLY 79 -16.892 8.023 5.912 596 2HA GLY 79 1HA GLY 79 -18.190 7.977 4.717 No H/Q in entry = 596 Start of MODEL 11 1 1H ALA 1 3H ALA 1 -10.633 11.082 1.410 2 2H ALA 1 2H ALA 1 -11.009 11.796 -0.085 3 3H ALA 1 1H ALA 1 -12.157 10.826 0.709 4 HA ALA 1 HA ALA 1 -11.344 8.958 -0.140 5 1HB ALA 1 2HB ALA 1 -10.607 11.133 -1.838 6 2HB ALA 1 1HB ALA 1 -9.297 9.953 -1.874 7 3HB ALA 1 3HB ALA 1 -10.939 9.463 -2.295 8 H ILE 2 H ILE 2 -8.839 8.145 -1.069 9 HA ILE 2 HA ILE 2 -6.951 8.686 1.162 10 HB ILE 2 HB ILE 2 -7.563 5.858 0.290 11 1HG1 ILE 2 2HG1 ILE 2 -8.681 7.254 2.737 12 2HG1 ILE 2 1HG1 ILE 2 -9.601 7.031 1.249 13 1HG2 ILE 2 2HG2 ILE 2 -5.409 6.602 1.531 14 2HG2 ILE 2 1HG2 ILE 2 -6.463 6.833 2.926 15 3HG2 ILE 2 3HG2 ILE 2 -6.308 5.237 2.192 16 1HD1 ILE 2 2HD1 ILE 2 -8.737 4.505 1.592 17 2HD1 ILE 2 1HD1 ILE 2 -8.765 5.021 3.278 18 3HD1 ILE 2 3HD1 ILE 2 -10.237 5.096 2.309 19 H ASP 3 H ASP 3 -5.302 9.516 -0.076 20 HA ASP 3 HA ASP 3 -4.697 8.628 -2.746 21 1HB ASP 3 2HB ASP 3 -4.063 10.864 -1.689 22 2HB ASP 3 1HB ASP 3 -2.773 9.995 -0.850 23 H ILE 4 H ILE 4 -3.608 6.820 -3.352 24 HA ILE 4 HA ILE 4 -2.116 5.327 -1.244 25 HB ILE 4 HB ILE 4 -2.791 4.182 -3.938 26 1HG1 ILE 4 2HG1 ILE 4 -4.879 5.224 -3.151 27 2HG1 ILE 4 1HG1 ILE 4 -4.986 3.468 -3.028 28 1HG2 ILE 4 2HG2 ILE 4 -2.261 3.201 -1.147 29 2HG2 ILE 4 1HG2 ILE 4 -3.191 2.196 -2.259 30 3HG2 ILE 4 3HG2 ILE 4 -1.542 2.670 -2.668 31 1HD1 ILE 4 3HD1 ILE 4 -3.981 3.989 -0.591 32 2HD1 ILE 4 2HD1 ILE 4 -4.824 5.513 -0.868 33 3HD1 ILE 4 1HD1 ILE 4 -5.715 3.992 -0.912 34 H LYS 5 H LYS 5 0.066 5.495 -1.329 35 HA LYS 5 HA LYS 5 1.362 5.732 -4.004 36 1HB LYS 5 2HB LYS 5 3.028 7.306 -2.718 37 2HB LYS 5 1HB LYS 5 1.519 7.970 -3.344 38 1HG LYS 5 2HG LYS 5 0.576 8.172 -1.251 39 2HG LYS 5 1HG LYS 5 1.465 6.793 -0.602 40 1HD LYS 5 2HD LYS 5 2.626 8.488 0.444 41 2HD LYS 5 1HD LYS 5 3.547 8.411 -1.059 42 1HE LYS 5 2HE LYS 5 2.967 10.736 -0.583 43 2HE LYS 5 1HE LYS 5 2.086 10.190 -2.011 44 1HZ LYS 5 2HZ LYS 5 0.720 9.704 0.481 45 2HZ LYS 5 1HZ LYS 5 0.960 11.352 0.139 46 3HZ LYS 5 3HZ LYS 5 0.134 10.369 -0.969 47 H ALA 6 H ALA 6 3.884 5.466 -3.606 48 HA ALA 6 HA ALA 6 4.194 2.911 -2.212 49 1HB ALA 6 1HB ALA 6 5.343 3.802 -4.432 50 2HB ALA 6 3HB ALA 6 6.525 4.451 -3.295 51 3HB ALA 6 2HB ALA 6 6.210 2.716 -3.346 52 HA PRO 7 HA PRO 7 5.839 4.499 1.534 53 1HB PRO 7 2HB PRO 7 7.475 2.402 2.233 54 2HB PRO 7 1HB PRO 7 5.707 2.347 2.354 55 1HG PRO 7 2HG PRO 7 7.493 1.045 0.351 56 2HG PRO 7 1HG PRO 7 5.883 0.557 0.903 57 1HD PRO 7 2HD PRO 7 6.471 1.877 -1.532 58 2HD PRO 7 1HD PRO 7 4.857 1.678 -0.813 59 H THR 8 H THR 8 7.821 5.349 2.491 60 HA THR 8 HA THR 8 9.750 6.284 0.563 61 HB THR 8 HB THR 8 9.837 6.291 3.597 62 HG1 THR 8 HG1 THR 8 8.147 7.460 2.323 63 1HG2 THR 8 2HG2 THR 8 11.824 6.967 1.625 64 2HG2 THR 8 1HG2 THR 8 11.313 8.428 2.471 65 3HG2 THR 8 3HG2 THR 8 11.939 7.054 3.383 66 H PHE 9 H PHE 9 11.387 5.087 -0.265 67 HA PHE 9 HA PHE 9 12.147 2.536 0.896 68 1HB PHE 9 2HB PHE 9 13.586 4.128 -1.249 69 2HB PHE 9 1HB PHE 9 13.730 2.395 -0.938 70 HD1 PHE 9 HD1 PHE 9 11.173 1.296 -0.686 71 HD2 PHE 9 HD2 PHE 9 12.346 4.612 -3.156 72 HE1 PHE 9 HE1 PHE 9 9.241 0.866 -2.181 73 HE2 PHE 9 HE2 PHE 9 10.414 4.182 -4.651 74 HZ PHE 9 HZ PHE 9 8.860 2.309 -4.163 75 HA PRO 10 HA PRO 10 15.378 3.916 3.529 76 1HB PRO 10 2HB PRO 10 16.909 1.633 3.553 77 2HB PRO 10 1HB PRO 10 15.372 1.791 4.422 78 1HG PRO 10 2HG PRO 10 15.962 0.298 1.908 79 2HG PRO 10 1HG PRO 10 14.703 0.003 3.120 80 1HD PRO 10 2HD PRO 10 14.327 1.260 0.611 81 2HD PRO 10 1HD PRO 10 13.169 1.252 1.961 82 H GLU 11 H GLU 11 18.017 3.562 3.543 83 HA GLU 11 HA GLU 11 18.949 4.974 1.187 84 1HB GLU 11 2HB GLU 11 20.088 4.079 3.771 85 2HB GLU 11 1HB GLU 11 21.240 4.201 2.440 86 1HG GLU 11 2HG GLU 11 21.324 6.396 3.064 87 2HG GLU 11 1HG GLU 11 19.856 6.513 2.093 88 H SER 12 H SER 12 19.580 1.708 2.503 89 HA SER 12 HA SER 12 21.331 0.684 0.644 90 1HB SER 12 2HB SER 12 19.728 -0.422 2.576 91 2HB SER 12 1HB SER 12 19.036 -1.110 1.106 92 HG SER 12 HG SER 12 20.944 -2.044 0.637 93 H ILE 13 H ILE 13 17.967 1.521 0.118 94 HA ILE 13 HA ILE 13 18.289 0.681 -2.737 95 HB ILE 13 HB ILE 13 15.752 0.784 -1.074 96 1HG1 ILE 13 2HG1 ILE 13 16.460 -1.749 -2.325 97 2HG1 ILE 13 1HG1 ILE 13 17.734 -1.194 -1.238 98 1HG2 ILE 13 2HG2 ILE 13 16.315 0.439 -3.993 99 2HG2 ILE 13 1HG2 ILE 13 15.018 -0.520 -3.280 100 3HG2 ILE 13 3HG2 ILE 13 14.958 1.241 -3.200 101 1HD1 ILE 13 1HD1 ILE 13 14.919 -0.975 -0.273 102 2HD1 ILE 13 3HD1 ILE 13 15.630 -2.588 -0.342 103 3HD1 ILE 13 2HD1 ILE 13 16.392 -1.329 0.631 104 H ALA 14 H ALA 14 17.580 2.175 -4.310 105 HA ALA 14 HA ALA 14 16.956 4.898 -3.240 106 1HB ALA 14 3HB ALA 14 18.864 3.947 -5.233 107 2HB ALA 14 2HB ALA 14 17.811 5.206 -5.878 108 3HB ALA 14 1HB ALA 14 18.773 5.516 -4.433 109 H ASP 15 H ASP 15 15.492 2.314 -4.640 110 HA ASP 15 HA ASP 15 13.143 3.752 -5.387 111 1HB ASP 15 2HB ASP 15 13.392 3.042 -7.920 112 2HB ASP 15 1HB ASP 15 14.082 4.565 -7.357 113 H GLY 16 H GLY 16 11.912 2.087 -7.142 114 1HA GLY 16 2HA GLY 16 12.496 -0.715 -6.478 115 2HA GLY 16 1HA GLY 16 11.004 -0.087 -5.774 116 H THR 17 H THR 17 10.098 -1.860 -7.234 117 HA THR 17 HA THR 17 9.278 -0.606 -9.786 118 HB THR 17 HB THR 17 10.379 -3.430 -9.693 119 HG1 THR 17 HG1 THR 17 11.508 -0.957 -10.441 120 1HG2 THR 17 3HG2 THR 17 8.567 -2.489 -11.414 121 2HG2 THR 17 2HG2 THR 17 10.010 -1.833 -12.187 122 3HG2 THR 17 1HG2 THR 17 9.858 -3.572 -11.933 123 H VAL 18 H VAL 18 7.122 -0.957 -10.105 124 HA VAL 18 HA VAL 18 5.395 -2.058 -8.241 125 HB VAL 18 HB VAL 18 5.018 -2.200 -11.249 126 1HG1 VAL 18 2HG1 VAL 18 3.072 -2.173 -8.922 127 2HG1 VAL 18 1HG1 VAL 18 2.602 -2.012 -10.614 128 3HG1 VAL 18 3HG1 VAL 18 3.350 -3.504 -10.044 129 1HG2 VAL 18 2HG2 VAL 18 5.554 0.057 -9.792 130 2HG2 VAL 18 1HG2 VAL 18 4.575 0.037 -11.259 131 3HG2 VAL 18 3HG2 VAL 18 3.795 -0.014 -9.678 132 H ALA 19 H ALA 19 4.099 -4.127 -8.399 133 HA ALA 19 HA ALA 19 5.893 -6.374 -9.228 134 1HB ALA 19 2HB ALA 19 5.440 -6.149 -6.761 135 2HB ALA 19 1HB ALA 19 3.732 -6.424 -7.103 136 3HB ALA 19 3HB ALA 19 4.912 -7.688 -7.443 137 H THR 20 H THR 20 2.417 -6.169 -8.424 138 HA THR 20 HA THR 20 1.644 -6.752 -11.185 139 HB THR 20 HB THR 20 1.361 -8.856 -9.019 140 HG1 THR 20 HG1 THR 20 2.904 -9.803 -10.070 141 1HG2 THR 20 3HG2 THR 20 0.143 -8.697 -11.789 142 2HG2 THR 20 2HG2 THR 20 0.147 -10.145 -10.782 143 3HG2 THR 20 1HG2 THR 20 -0.728 -8.707 -10.255 144 H TRP 21 H TRP 21 -0.389 -5.925 -11.506 145 HA TRP 21 HA TRP 21 -1.836 -4.894 -9.161 146 1HB TRP 21 2HB TRP 21 -1.857 -4.443 -12.111 147 2HB TRP 21 1HB TRP 21 -3.348 -4.133 -11.225 148 HD1 TRP 21 HD1 TRP 21 0.079 -2.745 -11.863 149 HE1 TRP 21 HE1 TRP 21 0.370 -0.530 -10.562 150 HE3 TRP 21 HE3 TRP 21 -4.092 -2.875 -8.918 151 HZ2 TRP 21 HZ2 TRP 21 -0.960 0.966 -8.571 152 HZ3 TRP 21 HZ3 TRP 21 -4.558 -1.032 -7.320 153 HH2 TRP 21 HH2 TRP 21 -2.996 0.891 -7.143 154 H HIS 22 H HIS 22 -2.483 -7.047 -8.374 155 HA HIS 22 HA HIS 22 -3.854 -9.058 -9.708 156 1HB HIS 22 2HB HIS 22 -5.099 -8.115 -7.146 157 2HB HIS 22 1HB HIS 22 -4.710 -9.759 -7.665 158 HD1 HIS 22 HD1 HIS 22 -3.106 -6.635 -6.300 159 HD2 HIS 22 HD2 HIS 22 -2.107 -10.620 -6.992 160 HE1 HIS 22 HE1 HIS 22 -0.817 -6.976 -5.310 161 H LYS 23 H LYS 23 -5.565 -6.314 -8.152 162 HA LYS 23 HA LYS 23 -7.842 -6.805 -9.994 163 1HB LYS 23 2HB LYS 23 -7.787 -4.744 -7.794 164 2HB LYS 23 1HB LYS 23 -9.177 -5.587 -8.481 165 1HG LYS 23 2HG LYS 23 -8.143 -7.740 -7.563 166 2HG LYS 23 1HG LYS 23 -7.049 -6.703 -6.645 167 1HD LYS 23 2HD LYS 23 -8.662 -6.605 -5.068 168 2HD LYS 23 1HD LYS 23 -9.565 -5.589 -6.193 169 1HE LYS 23 2HE LYS 23 -11.032 -7.247 -6.702 170 2HE LYS 23 1HE LYS 23 -9.767 -8.476 -6.751 171 1HZ LYS 23 2HZ LYS 23 -9.809 -7.924 -4.156 172 2HZ LYS 23 1HZ LYS 23 -11.436 -7.615 -4.534 173 3HZ LYS 23 3HZ LYS 23 -10.764 -9.138 -4.862 174 H LYS 24 H LYS 24 -8.960 -4.462 -10.473 175 HA LYS 24 HA LYS 24 -6.789 -2.767 -11.647 176 1HB LYS 24 2HB LYS 24 -9.035 -4.088 -12.901 177 2HB LYS 24 1HB LYS 24 -9.169 -2.341 -13.104 178 1HG LYS 24 2HG LYS 24 -7.761 -2.704 -14.865 179 2HG LYS 24 1HG LYS 24 -6.521 -2.684 -13.611 180 1HD LYS 24 2HD LYS 24 -7.846 -5.293 -13.949 181 2HD LYS 24 1HD LYS 24 -6.928 -4.763 -15.358 182 1HE LYS 24 2HE LYS 24 -5.003 -4.265 -13.776 183 2HE LYS 24 1HE LYS 24 -5.921 -5.104 -12.525 184 1HZ LYS 24 1HZ LYS 24 -5.588 -6.461 -15.088 185 2HZ LYS 24 3HZ LYS 24 -4.222 -6.353 -14.089 186 3HZ LYS 24 2HZ LYS 24 -5.635 -7.103 -13.517 187 HA PRO 25 HA PRO 25 -8.648 0.701 -9.710 188 1HB PRO 25 2HB PRO 25 -8.354 2.635 -11.644 189 2HB PRO 25 1HB PRO 25 -7.011 2.010 -10.670 190 1HG PRO 25 2HG PRO 25 -7.687 1.444 -13.523 191 2HG PRO 25 1HG PRO 25 -6.110 1.412 -12.716 192 1HD PRO 25 2HD PRO 25 -7.670 -0.852 -13.364 193 2HD PRO 25 1HD PRO 25 -6.294 -0.827 -12.241 194 H GLY 26 H GLY 26 -10.883 -0.050 -9.667 195 1HA GLY 26 2HA GLY 26 -12.969 1.405 -10.321 196 2HA GLY 26 1HA GLY 26 -12.587 0.829 -11.948 197 H GLU 27 H GLU 27 -12.469 -0.902 -8.828 198 HA GLU 27 HA GLU 27 -14.680 -2.649 -9.789 199 1HB GLU 27 2HB GLU 27 -13.419 -4.663 -9.203 200 2HB GLU 27 1HB GLU 27 -12.516 -3.727 -10.393 201 1HG GLU 27 2HG GLU 27 -10.817 -4.073 -8.882 202 2HG GLU 27 1HG GLU 27 -11.513 -2.621 -8.160 203 H ALA 28 H ALA 28 -14.887 -4.409 -7.764 204 HA ALA 28 HA ALA 28 -15.542 -2.660 -5.472 205 1HB ALA 28 1HB ALA 28 -16.593 -5.108 -6.589 206 2HB ALA 28 3HB ALA 28 -16.212 -5.343 -4.883 207 3HB ALA 28 2HB ALA 28 -17.310 -4.052 -5.372 208 H VAL 29 H VAL 29 -14.298 -2.588 -3.658 209 HA VAL 29 HA VAL 29 -12.333 -4.804 -3.232 210 HB VAL 29 HB VAL 29 -11.247 -2.709 -4.079 211 1HG1 VAL 29 3HG1 VAL 29 -13.045 -1.510 -2.257 212 2HG1 VAL 29 2HG1 VAL 29 -11.430 -1.230 -1.605 213 3HG1 VAL 29 1HG1 VAL 29 -11.826 -0.702 -3.241 214 1HG2 VAL 29 3HG2 VAL 29 -10.690 -3.671 -1.264 215 2HG2 VAL 29 2HG2 VAL 29 -9.866 -4.136 -2.753 216 3HG2 VAL 29 1HG2 VAL 29 -9.639 -2.518 -2.086 217 H LYS 30 H LYS 30 -11.804 -5.189 -0.972 218 HA LYS 30 HA LYS 30 -13.683 -3.926 0.972 219 1HB LYS 30 2HB LYS 30 -14.014 -6.500 0.016 220 2HB LYS 30 1HB LYS 30 -13.112 -6.754 1.511 221 1HG LYS 30 2HG LYS 30 -15.470 -6.768 2.056 222 2HG LYS 30 1HG LYS 30 -14.776 -5.270 2.681 223 1HD LYS 30 2HD LYS 30 -16.602 -4.377 1.598 224 2HD LYS 30 1HD LYS 30 -15.473 -4.398 0.243 225 1HE LYS 30 2HE LYS 30 -16.875 -6.948 0.622 226 2HE LYS 30 1HE LYS 30 -17.958 -5.605 0.257 227 1HZ LYS 30 2HZ LYS 30 -16.025 -5.143 -1.493 228 2HZ LYS 30 1HZ LYS 30 -15.902 -6.835 -1.390 229 3HZ LYS 30 3HZ LYS 30 -17.372 -6.119 -1.843 230 H ARG 31 H ARG 31 -12.683 -3.357 2.867 231 HA ARG 31 HA ARG 31 -9.960 -3.148 3.205 232 1HB ARG 31 2HB ARG 31 -11.867 -2.317 4.742 233 2HB ARG 31 1HB ARG 31 -11.711 -3.876 5.552 234 1HG ARG 31 2HG ARG 31 -9.081 -3.016 5.311 235 2HG ARG 31 1HG ARG 31 -9.963 -1.535 5.685 236 1HD ARG 31 2HD ARG 31 -10.646 -3.974 7.263 237 2HD ARG 31 1HD ARG 31 -9.108 -3.183 7.613 238 HE ARG 31 HE ARG 31 -10.319 -1.411 8.588 239 1HH1 ARG 31 1HH2 ARG 31 -11.985 0.048 7.220 240 2HH1 ARG 31 2HH2 ARG 31 -13.586 -0.605 7.330 241 1HH2 ARG 31 2HH1 ARG 31 -12.529 -3.716 8.436 242 2HH2 ARG 31 1HH1 ARG 31 -13.894 -2.736 8.018 243 H ASP 32 H ASP 32 -8.290 -4.466 3.990 244 HA ASP 32 HA ASP 32 -7.226 -6.451 4.693 245 1HB ASP 32 2HB ASP 32 -9.357 -6.607 6.180 246 2HB ASP 32 1HB ASP 32 -9.924 -7.762 4.974 247 H GLU 33 H GLU 33 -7.694 -5.866 1.960 248 HA GLU 33 HA GLU 33 -7.771 -8.635 0.881 249 1HB GLU 33 2HB GLU 33 -10.019 -7.333 0.619 250 2HB GLU 33 1HB GLU 33 -9.151 -6.414 -0.612 251 1HG GLU 33 2HG GLU 33 -9.113 -8.160 -2.071 252 2HG GLU 33 1HG GLU 33 -8.823 -9.344 -0.796 253 H LEU 34 H LEU 34 -5.923 -8.918 -0.260 254 HA LEU 34 HA LEU 34 -3.934 -7.082 -0.752 255 1HB LEU 34 2HB LEU 34 -3.694 -9.493 -1.216 256 2HB LEU 34 1HB LEU 34 -4.751 -9.328 -2.619 257 HG LEU 34 HG LEU 34 -3.156 -7.741 -3.635 258 1HD1 LEU 34 3HD1 LEU 34 -2.154 -7.653 -0.963 259 2HD1 LEU 34 2HD1 LEU 34 -0.862 -8.255 -2.003 260 3HD1 LEU 34 1HD1 LEU 34 -1.626 -6.705 -2.353 261 1HD2 LEU 34 3HD2 LEU 34 -2.319 -10.498 -2.817 262 2HD2 LEU 34 2HD2 LEU 34 -2.678 -9.870 -4.425 263 3HD2 LEU 34 1HD2 LEU 34 -1.143 -9.482 -3.649 264 H ILE 35 H ILE 35 -3.314 -5.835 -2.662 265 HA ILE 35 HA ILE 35 -5.474 -5.278 -4.614 266 HB ILE 35 HB ILE 35 -4.122 -3.026 -3.111 267 1HG1 ILE 35 2HG1 ILE 35 -5.533 -4.484 -1.608 268 2HG1 ILE 35 1HG1 ILE 35 -6.121 -2.828 -1.760 269 1HG2 ILE 35 1HG2 ILE 35 -6.499 -3.232 -4.979 270 2HG2 ILE 35 3HG2 ILE 35 -6.121 -1.786 -4.044 271 3HG2 ILE 35 2HG2 ILE 35 -4.989 -2.367 -5.264 272 1HD1 ILE 35 1HD1 ILE 35 -7.139 -4.880 -3.688 273 2HD1 ILE 35 3HD1 ILE 35 -7.777 -4.884 -2.044 274 3HD1 ILE 35 2HD1 ILE 35 -7.944 -3.446 -3.051 275 H VAL 36 H VAL 36 -2.138 -4.681 -3.549 276 HA VAL 36 HA VAL 36 -1.199 -5.016 -6.300 277 HB VAL 36 HB VAL 36 -1.904 -2.591 -6.155 278 1HG1 VAL 36 3HG1 VAL 36 0.362 -2.538 -4.140 279 2HG1 VAL 36 2HG1 VAL 36 -0.388 -1.105 -4.841 280 3HG1 VAL 36 1HG1 VAL 36 -1.335 -2.184 -3.816 281 1HG2 VAL 36 1HG2 VAL 36 0.748 -3.660 -6.884 282 2HG2 VAL 36 3HG2 VAL 36 -0.368 -2.680 -7.834 283 3HG2 VAL 36 2HG2 VAL 36 0.707 -1.911 -6.668 284 H ASP 37 H ASP 37 0.964 -5.656 -6.320 285 HA ASP 37 HA ASP 37 2.229 -5.924 -3.630 286 1HB ASP 37 2HB ASP 37 2.338 -7.522 -6.163 287 2HB ASP 37 1HB ASP 37 3.741 -7.542 -5.094 288 H ILE 38 H ILE 38 4.382 -5.226 -3.326 289 HA ILE 38 HA ILE 38 5.375 -3.368 -5.443 290 HB ILE 38 HB ILE 38 6.032 -3.468 -2.482 291 1HG1 ILE 38 2HG1 ILE 38 4.304 -1.564 -4.099 292 2HG1 ILE 38 1HG1 ILE 38 3.718 -2.740 -2.922 293 1HG2 ILE 38 1HG2 ILE 38 7.601 -2.465 -4.475 294 2HG2 ILE 38 3HG2 ILE 38 6.593 -1.062 -4.114 295 3HG2 ILE 38 2HG2 ILE 38 7.557 -1.808 -2.839 296 1HD1 ILE 38 2HD1 ILE 38 5.338 -1.545 -1.269 297 2HD1 ILE 38 1HD1 ILE 38 5.309 -0.229 -2.442 298 3HD1 ILE 38 3HD1 ILE 38 3.814 -0.754 -1.670 299 H GLU 39 H GLU 39 7.487 -3.598 -6.211 300 HA GLU 39 HA GLU 39 8.853 -6.124 -5.405 301 1HB GLU 39 2HB GLU 39 8.151 -5.353 -7.895 302 2HB GLU 39 1HB GLU 39 9.752 -4.617 -7.807 303 1HG GLU 39 2HG GLU 39 10.827 -6.637 -7.743 304 2HG GLU 39 1HG GLU 39 9.541 -7.408 -6.813 305 H THR 40 H THR 40 10.772 -5.977 -4.334 306 HA THR 40 HA THR 40 12.107 -3.299 -4.273 307 HB THR 40 HB THR 40 12.716 -5.266 -2.137 308 HG1 THR 40 HG1 THR 40 10.780 -4.904 -1.098 309 1HG2 THR 40 3HG2 THR 40 12.721 -2.397 -2.614 310 2HG2 THR 40 2HG2 THR 40 11.929 -2.796 -1.090 311 3HG2 THR 40 1HG2 THR 40 13.584 -3.327 -1.390 312 H ASP 41 H ASP 41 14.546 -3.571 -3.724 313 HA ASP 41 HA ASP 41 15.936 -4.760 -5.778 314 1HB ASP 41 2HB ASP 41 17.071 -3.321 -4.192 315 2HB ASP 41 1HB ASP 41 16.807 -4.481 -2.890 316 H LYS 42 H LYS 42 15.294 -6.310 -2.615 317 HA LYS 42 HA LYS 42 15.231 -8.932 -3.985 318 1HB LYS 42 2HB LYS 42 17.279 -8.090 -1.955 319 2HB LYS 42 1HB LYS 42 16.736 -9.767 -1.991 320 1HG LYS 42 2HG LYS 42 17.241 -8.890 -4.681 321 2HG LYS 42 1HG LYS 42 18.653 -8.535 -3.684 322 1HD LYS 42 2HD LYS 42 18.783 -10.833 -2.936 323 2HD LYS 42 1HD LYS 42 17.257 -11.225 -3.732 324 1HE LYS 42 2HE LYS 42 18.417 -10.439 -5.906 325 2HE LYS 42 1HE LYS 42 19.920 -10.584 -4.996 326 1HZ LYS 42 2HZ LYS 42 18.983 -12.899 -4.395 327 2HZ LYS 42 1HZ LYS 42 18.011 -12.683 -5.772 328 3HZ LYS 42 3HZ LYS 42 19.700 -12.663 -5.918 329 H VAL 43 H VAL 43 13.287 -7.185 -2.584 330 HA VAL 43 HA VAL 43 12.377 -9.199 -0.590 331 HB VAL 43 HB VAL 43 12.004 -6.278 -0.001 332 1HG1 VAL 43 2HG1 VAL 43 11.036 -8.467 1.202 333 2HG1 VAL 43 1HG1 VAL 43 12.595 -8.392 2.022 334 3HG1 VAL 43 3HG1 VAL 43 11.483 -7.026 2.117 335 1HG2 VAL 43 3HG2 VAL 43 14.454 -6.700 -0.456 336 2HG2 VAL 43 2HG2 VAL 43 14.104 -6.193 1.197 337 3HG2 VAL 43 1HG2 VAL 43 14.428 -7.890 0.846 338 H VAL 44 H VAL 44 10.208 -9.628 -0.787 339 HA VAL 44 HA VAL 44 8.709 -8.032 -2.800 340 HB VAL 44 HB VAL 44 8.788 -10.475 -3.130 341 1HG1 VAL 44 3HG1 VAL 44 7.475 -10.523 -0.397 342 2HG1 VAL 44 2HG1 VAL 44 7.580 -11.918 -1.472 343 3HG1 VAL 44 1HG1 VAL 44 9.050 -11.193 -0.822 344 1HG2 VAL 44 1HG2 VAL 44 6.258 -9.009 -2.573 345 2HG2 VAL 44 3HG2 VAL 44 6.803 -9.785 -4.060 346 3HG2 VAL 44 2HG2 VAL 44 6.129 -10.758 -2.754 347 H MET 45 H MET 45 6.910 -6.847 -2.229 348 HA MET 45 HA MET 45 6.018 -7.039 0.622 349 1HB MET 45 2HB MET 45 6.622 -4.627 -1.078 350 2HB MET 45 1HB MET 45 5.463 -4.512 0.248 351 1HG MET 45 2HG MET 45 7.941 -5.904 0.988 352 2HG MET 45 1HG MET 45 8.198 -4.227 0.505 353 1HE MET 45 3HE MET 45 8.465 -6.000 3.132 354 2HE MET 45 2HE MET 45 9.025 -4.356 3.432 355 3HE MET 45 1HE MET 45 7.847 -5.091 4.517 356 H GLU 46 H GLU 46 3.743 -6.160 0.900 357 HA GLU 46 HA GLU 46 2.117 -6.580 -1.574 358 1HB GLU 46 2HB GLU 46 0.428 -7.738 -0.176 359 2HB GLU 46 1HB GLU 46 1.971 -8.591 -0.164 360 1HG GLU 46 2HG GLU 46 2.547 -7.650 1.992 361 2HG GLU 46 1HG GLU 46 1.124 -6.606 1.963 362 H VAL 47 H VAL 47 -0.059 -5.547 -1.411 363 HA VAL 47 HA VAL 47 -0.216 -3.377 0.617 364 HB VAL 47 HB VAL 47 -0.373 -3.001 -2.387 365 1HG1 VAL 47 1HG1 VAL 47 -1.629 -1.545 -0.189 366 2HG1 VAL 47 3HG1 VAL 47 -0.558 -0.514 -1.139 367 3HG1 VAL 47 2HG1 VAL 47 -1.878 -1.380 -1.928 368 1HG2 VAL 47 2HG2 VAL 47 1.421 -1.827 -0.237 369 2HG2 VAL 47 1HG2 VAL 47 1.904 -2.995 -1.466 370 3HG2 VAL 47 3HG2 VAL 47 1.443 -1.359 -1.937 371 H LEU 48 H LEU 48 -2.128 -3.910 1.595 372 HA LEU 48 HA LEU 48 -4.378 -4.825 -0.110 373 1HB LEU 48 2HB LEU 48 -5.266 -5.086 2.452 374 2HB LEU 48 1HB LEU 48 -4.445 -6.362 1.566 375 HG LEU 48 HG LEU 48 -2.274 -5.531 2.500 376 1HD1 LEU 48 1HD1 LEU 48 -3.947 -3.349 3.278 377 2HD1 LEU 48 3HD1 LEU 48 -3.330 -4.108 4.746 378 3HD1 LEU 48 2HD1 LEU 48 -2.208 -3.524 3.517 379 1HD2 LEU 48 1HD2 LEU 48 -3.633 -7.380 3.551 380 2HD2 LEU 48 3HD2 LEU 48 -2.597 -6.518 4.689 381 3HD2 LEU 48 2HD2 LEU 48 -4.327 -6.177 4.637 382 H ALA 49 H ALA 49 -6.494 -3.847 0.245 383 HA ALA 49 HA ALA 49 -6.361 -0.971 0.518 384 1HB ALA 49 2HB ALA 49 -8.026 -2.334 -0.885 385 2HB ALA 49 1HB ALA 49 -8.885 -2.633 0.626 386 3HB ALA 49 3HB ALA 49 -8.692 -0.983 0.032 387 H GLU 50 H GLU 50 -7.090 0.320 2.241 388 HA GLU 50 HA GLU 50 -7.362 -1.121 4.834 389 1HB GLU 50 2HB GLU 50 -6.002 1.271 4.007 390 2HB GLU 50 1HB GLU 50 -7.201 1.688 5.232 391 1HG GLU 50 2HG GLU 50 -6.262 -0.396 6.500 392 2HG GLU 50 1HG GLU 50 -4.864 -0.194 5.444 393 H ALA 51 H ALA 51 -9.428 -0.247 2.573 394 HA ALA 51 HA ALA 51 -11.686 -0.051 4.304 395 1HB ALA 51 2HB ALA 51 -10.385 2.318 4.348 396 2HB ALA 51 1HB ALA 51 -11.404 2.571 2.930 397 3HB ALA 51 3HB ALA 51 -12.139 2.190 4.487 398 H ASP 52 H ASP 52 -13.526 -0.463 3.101 399 HA ASP 52 HA ASP 52 -13.288 -1.274 0.392 400 1HB ASP 52 2HB ASP 52 -15.144 -2.217 1.368 401 2HB ASP 52 1HB ASP 52 -15.552 -0.766 2.275 402 H GLY 53 H GLY 53 -14.691 -0.258 -1.397 403 1HA GLY 53 2HA GLY 53 -15.642 2.201 -1.807 404 2HA GLY 53 1HA GLY 53 -13.939 2.609 -1.569 405 H VAL 54 H VAL 54 -14.100 3.397 -3.849 406 HA VAL 54 HA VAL 54 -13.676 1.129 -5.751 407 HB VAL 54 HB VAL 54 -15.214 3.700 -6.183 408 1HG1 VAL 54 3HG1 VAL 54 -13.889 1.836 -8.126 409 2HG1 VAL 54 2HG1 VAL 54 -15.423 2.585 -8.566 410 3HG1 VAL 54 1HG1 VAL 54 -14.026 3.592 -8.185 411 1HG2 VAL 54 1HG2 VAL 54 -15.839 0.818 -5.905 412 2HG2 VAL 54 3HG2 VAL 54 -16.845 2.225 -5.562 413 3HG2 VAL 54 2HG2 VAL 54 -16.678 1.645 -7.218 414 H ILE 55 H ILE 55 -11.682 1.227 -6.660 415 HA ILE 55 HA ILE 55 -9.810 3.289 -6.101 416 HB ILE 55 HB ILE 55 -9.886 1.175 -8.261 417 1HG1 ILE 55 2HG1 ILE 55 -8.582 1.501 -5.554 418 2HG1 ILE 55 1HG1 ILE 55 -9.605 0.184 -6.125 419 1HG2 ILE 55 3HG2 ILE 55 -7.683 3.137 -7.541 420 2HG2 ILE 55 2HG2 ILE 55 -7.460 1.722 -8.570 421 3HG2 ILE 55 1HG2 ILE 55 -8.529 3.029 -9.085 422 1HD1 ILE 55 1HD1 ILE 55 -7.713 -0.170 -7.898 423 2HD1 ILE 55 3HD1 ILE 55 -6.724 0.752 -6.765 424 3HD1 ILE 55 2HD1 ILE 55 -7.471 -0.762 -6.254 425 H ALA 56 H ALA 56 -8.762 4.705 -7.802 426 HA ALA 56 HA ALA 56 -10.895 5.926 -9.490 427 1HB ALA 56 1HB ALA 56 -9.779 7.398 -7.829 428 2HB ALA 56 3HB ALA 56 -8.229 7.073 -8.606 429 3HB ALA 56 2HB ALA 56 -9.490 7.939 -9.484 430 H GLU 57 H GLU 57 -7.331 5.626 -9.721 431 HA GLU 57 HA GLU 57 -7.467 4.180 -12.228 432 1HB GLU 57 2HB GLU 57 -8.016 6.786 -12.614 433 2HB GLU 57 1HB GLU 57 -6.254 6.871 -12.636 434 1HG GLU 57 2HG GLU 57 -6.609 6.380 -14.860 435 2HG GLU 57 1HG GLU 57 -6.560 4.736 -14.224 436 H ILE 58 H ILE 58 -5.473 3.243 -12.644 437 HA ILE 58 HA ILE 58 -3.325 3.855 -10.691 438 HB ILE 58 HB ILE 58 -3.583 1.592 -12.697 439 1HG1 ILE 58 2HG1 ILE 58 -5.297 1.346 -11.033 440 2HG1 ILE 58 1HG1 ILE 58 -3.983 0.266 -10.554 441 1HG2 ILE 58 1HG2 ILE 58 -1.243 2.220 -12.006 442 2HG2 ILE 58 3HG2 ILE 58 -1.706 1.892 -10.337 443 3HG2 ILE 58 2HG2 ILE 58 -1.716 0.590 -11.526 444 1HD1 ILE 58 3HD1 ILE 58 -3.120 2.113 -9.067 445 2HD1 ILE 58 2HD1 ILE 58 -4.589 3.017 -9.434 446 3HD1 ILE 58 1HD1 ILE 58 -4.691 1.475 -8.585 447 H VAL 59 H VAL 59 -1.684 5.167 -11.309 448 HA VAL 59 HA VAL 59 -1.333 5.784 -14.178 449 HB VAL 59 HB VAL 59 0.061 6.909 -11.729 450 1HG1 VAL 59 1HG1 VAL 59 0.855 7.019 -14.383 451 2HG1 VAL 59 3HG1 VAL 59 -0.056 8.516 -14.177 452 3HG1 VAL 59 2HG1 VAL 59 1.319 8.169 -13.128 453 1HG2 VAL 59 2HG2 VAL 59 -2.387 7.360 -11.816 454 2HG2 VAL 59 1HG2 VAL 59 -1.436 8.829 -12.039 455 3HG2 VAL 59 3HG2 VAL 59 -2.184 8.042 -13.429 456 H LYS 60 H LYS 60 0.255 4.024 -11.600 457 HA LYS 60 HA LYS 60 2.703 3.661 -13.221 458 1HB LYS 60 2HB LYS 60 2.025 3.489 -10.424 459 2HB LYS 60 1HB LYS 60 2.741 1.965 -10.949 460 1HG LYS 60 2HG LYS 60 4.609 3.275 -10.349 461 2HG LYS 60 1HG LYS 60 4.532 3.442 -12.103 462 1HD LYS 60 2HD LYS 60 2.950 5.407 -10.534 463 2HD LYS 60 1HD LYS 60 4.705 5.565 -10.435 464 1HE LYS 60 2HE LYS 60 4.275 5.124 -13.135 465 2HE LYS 60 1HE LYS 60 2.907 6.139 -12.678 466 1HZ LYS 60 3HZ LYS 60 4.627 7.570 -11.512 467 2HZ LYS 60 2HZ LYS 60 5.793 6.715 -12.406 468 3HZ LYS 60 1HZ LYS 60 4.605 7.625 -13.208 469 H ASN 61 H ASN 61 3.109 1.827 -14.402 470 HA ASN 61 HA ASN 61 0.970 -0.239 -14.443 471 1HB ASN 61 2HB ASN 61 3.300 0.001 -16.356 472 2HB ASN 61 1HB ASN 61 1.769 -0.837 -16.610 473 1HD2 ASN 61 2HD2 ASN 61 -0.060 2.262 -17.135 474 2HD2 ASN 61 1HD2 ASN 61 -0.240 0.733 -16.402 475 H GLU 62 H GLU 62 1.757 -2.547 -14.706 476 HA GLU 62 HA GLU 62 3.547 -3.216 -12.547 477 1HB GLU 62 2HB GLU 62 2.643 -5.030 -14.800 478 2HB GLU 62 1HB GLU 62 3.176 -5.513 -13.189 479 1HG GLU 62 2HG GLU 62 1.234 -4.589 -12.159 480 2HG GLU 62 1HG GLU 62 0.783 -3.716 -13.627 481 H GLY 63 H GLY 63 5.707 -3.848 -12.625 482 1HA GLY 63 2HA GLY 63 7.813 -4.339 -13.593 483 2HA GLY 63 1HA GLY 63 7.050 -4.303 -15.188 484 H ASP 64 H ASP 64 6.331 -1.584 -13.242 485 HA ASP 64 HA ASP 64 8.176 0.047 -14.916 486 1HB ASP 64 2HB ASP 64 6.111 1.012 -15.225 487 2HB ASP 64 1HB ASP 64 5.516 0.523 -13.638 488 H THR 65 H THR 65 8.993 2.070 -13.718 489 HA THR 65 HA THR 65 10.203 1.146 -11.163 490 HB THR 65 HB THR 65 10.907 3.606 -12.785 491 HG1 THR 65 HG1 THR 65 11.113 1.546 -13.907 492 1HG2 THR 65 2HG2 THR 65 12.200 2.074 -10.531 493 2HG2 THR 65 1HG2 THR 65 13.137 3.136 -11.582 494 3HG2 THR 65 3HG2 THR 65 11.821 3.795 -10.610 495 H VAL 66 H VAL 66 9.898 2.274 -9.234 496 HA VAL 66 HA VAL 66 8.035 4.611 -9.350 497 HB VAL 66 HB VAL 66 7.267 3.693 -7.034 498 1HG1 VAL 66 1HG1 VAL 66 6.371 3.330 -9.689 499 2HG1 VAL 66 3HG1 VAL 66 6.195 1.763 -8.899 500 3HG1 VAL 66 2HG1 VAL 66 5.416 3.190 -8.213 501 1HG2 VAL 66 1HG2 VAL 66 8.483 1.225 -8.318 502 2HG2 VAL 66 3HG2 VAL 66 9.004 1.980 -6.811 503 3HG2 VAL 66 2HG2 VAL 66 7.423 1.207 -6.909 504 H LEU 67 H LEU 67 8.604 6.336 -8.040 505 HA LEU 67 HA LEU 67 11.219 6.090 -6.642 506 1HB LEU 67 2HB LEU 67 10.240 8.027 -8.349 507 2HB LEU 67 1HB LEU 67 9.971 8.750 -6.762 508 HG LEU 67 HG LEU 67 12.466 7.792 -6.388 509 1HD1 LEU 67 3HD1 LEU 67 12.035 8.047 -9.332 510 2HD1 LEU 67 2HD1 LEU 67 13.567 8.627 -8.680 511 3HD1 LEU 67 1HD1 LEU 67 13.088 6.947 -8.443 512 1HD2 LEU 67 3HD2 LEU 67 11.304 10.241 -6.506 513 2HD2 LEU 67 2HD2 LEU 67 13.041 10.008 -6.297 514 3HD2 LEU 67 1HD2 LEU 67 12.382 10.349 -7.898 515 H SER 68 H SER 68 11.370 7.383 -4.539 516 HA SER 68 HA SER 68 9.544 6.377 -2.622 517 1HB SER 68 2HB SER 68 11.760 7.173 -1.976 518 2HB SER 68 1HB SER 68 11.351 8.811 -2.479 519 HG SER 68 HG SER 68 10.632 9.028 -0.521 520 H GLY 69 H GLY 69 7.522 7.034 -2.049 521 1HA GLY 69 2HA GLY 69 5.655 8.444 -1.771 522 2HA GLY 69 1HA GLY 69 6.691 9.813 -2.178 523 H GLU 70 H GLU 70 6.578 7.109 -4.355 524 HA GLU 70 HA GLU 70 5.540 8.833 -6.475 525 1HB GLU 70 2HB GLU 70 7.279 7.176 -6.979 526 2HB GLU 70 1HB GLU 70 6.210 5.873 -6.458 527 1HG GLU 70 2HG GLU 70 6.238 6.155 -8.939 528 2HG GLU 70 1HG GLU 70 4.634 6.398 -8.245 529 H LEU 71 H LEU 71 3.393 9.142 -6.780 530 HA LEU 71 HA LEU 71 1.386 7.596 -5.415 531 1HB LEU 71 2HB LEU 71 1.048 9.954 -6.126 532 2HB LEU 71 1HB LEU 71 1.073 9.433 -7.811 533 HG LEU 71 HG LEU 71 -0.809 8.031 -5.968 534 1HD1 LEU 71 1HD1 LEU 71 -0.791 10.896 -6.308 535 2HD1 LEU 71 3HD1 LEU 71 -2.225 10.217 -7.079 536 3HD1 LEU 71 2HD1 LEU 71 -1.908 9.903 -5.372 537 1HD2 LEU 71 3HD2 LEU 71 -0.768 8.924 -8.859 538 2HD2 LEU 71 2HD2 LEU 71 -0.763 7.276 -8.235 539 3HD2 LEU 71 1HD2 LEU 71 -2.216 8.266 -8.099 540 H LEU 72 H LEU 72 0.181 5.855 -6.134 541 HA LEU 72 HA LEU 72 0.848 4.823 -8.864 542 1HB LEU 72 2HB LEU 72 -0.021 3.114 -6.527 543 2HB LEU 72 1HB LEU 72 0.746 2.596 -8.028 544 HG LEU 72 HG LEU 72 2.395 4.568 -6.710 545 1HD1 LEU 72 1HD1 LEU 72 1.170 2.461 -5.019 546 2HD1 LEU 72 3HD1 LEU 72 2.922 2.627 -4.884 547 3HD1 LEU 72 2HD1 LEU 72 1.875 4.009 -4.555 548 1HD2 LEU 72 1HD2 LEU 72 2.584 1.770 -7.751 549 2HD2 LEU 72 3HD2 LEU 72 3.537 3.191 -8.178 550 3HD2 LEU 72 2HD2 LEU 72 3.860 2.333 -6.672 551 H GLY 73 H GLY 73 -1.647 5.603 -6.559 552 1HA GLY 73 2HA GLY 73 -3.687 5.691 -8.565 553 2HA GLY 73 1HA GLY 73 -3.842 4.188 -7.648 554 H LYS 74 H LYS 74 -5.801 6.266 -7.600 555 HA LYS 74 HA LYS 74 -5.521 7.190 -4.767 556 1HB LYS 74 2HB LYS 74 -6.094 8.685 -7.175 557 2HB LYS 74 1HB LYS 74 -7.450 8.798 -6.053 558 1HG LYS 74 2HG LYS 74 -5.792 9.372 -4.238 559 2HG LYS 74 1HG LYS 74 -4.551 9.467 -5.488 560 1HD LYS 74 2HD LYS 74 -5.547 11.694 -4.946 561 2HD LYS 74 1HD LYS 74 -5.780 11.234 -6.634 562 1HE LYS 74 2HE LYS 74 -8.056 10.613 -6.250 563 2HE LYS 74 1HE LYS 74 -7.850 10.681 -4.499 564 1HZ LYS 74 3HZ LYS 74 -7.349 13.079 -6.129 565 2HZ LYS 74 2HZ LYS 74 -8.944 12.653 -5.726 566 3HZ LYS 74 1HZ LYS 74 -7.810 12.967 -4.501 567 H LEU 75 H LEU 75 -7.159 6.564 -3.413 568 HA LEU 75 HA LEU 75 -9.319 4.907 -4.574 569 1HB LEU 75 2HB LEU 75 -7.932 4.225 -2.529 570 2HB LEU 75 1HB LEU 75 -8.827 5.460 -1.641 571 HG LEU 75 HG LEU 75 -10.778 4.017 -3.058 572 1HD1 LEU 75 1HD1 LEU 75 -8.473 2.383 -2.686 573 2HD1 LEU 75 3HD1 LEU 75 -9.700 1.834 -1.544 574 3HD1 LEU 75 2HD1 LEU 75 -10.064 1.895 -3.269 575 1HD2 LEU 75 3HD2 LEU 75 -9.879 3.809 -0.166 576 2HD2 LEU 75 2HD2 LEU 75 -11.006 5.003 -0.811 577 3HD2 LEU 75 1HD2 LEU 75 -11.449 3.295 -0.784 578 H THR 76 H THR 76 -11.538 5.393 -4.265 579 HA THR 76 HA THR 76 -12.075 8.264 -3.717 580 HB THR 76 HB THR 76 -12.893 6.987 -5.822 581 HG1 THR 76 HG1 THR 76 -13.605 9.054 -5.204 582 1HG2 THR 76 1HG2 THR 76 -14.012 5.332 -3.896 583 2HG2 THR 76 3HG2 THR 76 -15.374 6.304 -4.453 584 3HG2 THR 76 2HG2 THR 76 -14.436 5.356 -5.608 585 H GLU 77 H GLU 77 -14.807 7.903 -3.109 586 HA GLU 77 HA GLU 77 -14.576 7.320 -0.245 587 1HB GLU 77 2HB GLU 77 -16.816 8.314 -2.013 588 2HB GLU 77 1HB GLU 77 -17.080 7.914 -0.315 589 1HG GLU 77 2HG GLU 77 -15.029 9.899 -1.341 590 2HG GLU 77 1HG GLU 77 -16.579 10.323 -0.613 591 H GLY 78 H GLY 78 -16.610 6.029 0.675 592 1HA GLY 78 2HA GLY 78 -16.384 3.337 -0.437 593 2HA GLY 78 1HA GLY 78 -17.323 3.795 0.985 594 H GLY 79 HN GLY 79 -19.093 5.630 0.057 595 1HA GLY 79 2HA GLY 79 -20.302 5.000 -2.470 596 2HA GLY 79 1HA GLY 79 -21.115 4.109 -1.183 No H/Q in entry = 596 Start of MODEL 12 1 1H ALA 1 2H ALA 1 -11.002 7.110 1.794 2 2H ALA 1 1H ALA 1 -11.171 8.686 2.405 3 3H ALA 1 3H ALA 1 -12.050 8.211 1.036 4 HA ALA 1 HA ALA 1 -10.216 8.248 -0.349 5 1HB ALA 1 2HB ALA 1 -10.291 10.447 1.672 6 2HB ALA 1 1HB ALA 1 -8.916 10.399 0.568 7 3HB ALA 1 3HB ALA 1 -10.556 10.515 -0.071 8 H ILE 2 H ILE 2 -8.590 6.758 -0.412 9 HA ILE 2 HA ILE 2 -6.437 7.004 1.641 10 HB ILE 2 HB ILE 2 -7.654 4.429 0.595 11 1HG1 ILE 2 2HG1 ILE 2 -7.416 5.308 3.470 12 2HG1 ILE 2 1HG1 ILE 2 -8.782 5.830 2.481 13 1HG2 ILE 2 1HG2 ILE 2 -5.291 4.919 2.433 14 2HG2 ILE 2 3HG2 ILE 2 -6.016 3.342 2.125 15 3HG2 ILE 2 2HG2 ILE 2 -5.225 4.220 0.816 16 1HD1 ILE 2 3HD1 ILE 2 -8.488 3.061 2.004 17 2HD1 ILE 2 2HD1 ILE 2 -8.342 3.273 3.748 18 3HD1 ILE 2 1HD1 ILE 2 -9.776 3.857 2.906 19 H ASP 3 H ASP 3 -5.087 8.090 0.146 20 HA ASP 3 HA ASP 3 -4.637 7.037 -2.531 21 1HB ASP 3 2HB ASP 3 -4.331 9.403 -2.203 22 2HB ASP 3 1HB ASP 3 -3.202 9.128 -0.871 23 H ILE 4 H ILE 4 -2.436 6.313 -3.244 24 HA ILE 4 HA ILE 4 -0.892 4.986 -1.063 25 HB ILE 4 HB ILE 4 -1.654 3.664 -3.684 26 1HG1 ILE 4 2HG1 ILE 4 -2.661 2.322 -1.359 27 2HG1 ILE 4 1HG1 ILE 4 -3.173 4.009 -1.292 28 1HG2 ILE 4 3HG2 ILE 4 -0.130 2.769 -1.227 29 2HG2 ILE 4 2HG2 ILE 4 -0.789 1.632 -2.404 30 3HG2 ILE 4 1HG2 ILE 4 0.436 2.802 -2.898 31 1HD1 ILE 4 2HD1 ILE 4 -3.430 2.987 -3.988 32 2HD1 ILE 4 1HD1 ILE 4 -4.309 1.961 -2.856 33 3HD1 ILE 4 3HD1 ILE 4 -4.668 3.684 -2.944 34 H LYS 5 H LYS 5 1.232 5.505 -1.247 35 HA LYS 5 HA LYS 5 2.312 6.074 -3.972 36 1HB LYS 5 2HB LYS 5 3.620 7.945 -3.029 37 2HB LYS 5 1HB LYS 5 1.889 8.221 -2.827 38 1HG LYS 5 2HG LYS 5 2.009 7.408 -0.513 39 2HG LYS 5 1HG LYS 5 3.730 7.076 -0.706 40 1HD LYS 5 2HD LYS 5 4.273 9.372 -0.879 41 2HD LYS 5 1HD LYS 5 2.600 9.830 -1.197 42 1HE LYS 5 2HE LYS 5 2.710 8.435 1.307 43 2HE LYS 5 1HE LYS 5 3.922 9.717 1.318 44 1HZ LYS 5 2HZ LYS 5 2.204 11.271 0.586 45 2HZ LYS 5 1HZ LYS 5 1.045 10.031 0.654 46 3HZ LYS 5 3HZ LYS 5 1.806 10.556 2.075 47 H ALA 6 H ALA 6 4.837 6.135 -3.806 48 HA ALA 6 HA ALA 6 5.645 3.630 -2.517 49 1HB ALA 6 2HB ALA 6 6.865 5.563 -4.440 50 2HB ALA 6 1HB ALA 6 7.958 4.549 -3.497 51 3HB ALA 6 3HB ALA 6 6.745 3.807 -4.540 52 HA PRO 7 HA PRO 7 7.283 5.506 1.109 53 1HB PRO 7 2HB PRO 7 8.947 3.451 1.866 54 2HB PRO 7 1HB PRO 7 7.185 3.407 2.059 55 1HG PRO 7 2HG PRO 7 8.890 1.984 0.069 56 2HG PRO 7 1HG PRO 7 7.303 1.533 0.712 57 1HD PRO 7 2HD PRO 7 7.796 2.704 -1.819 58 2HD PRO 7 1HD PRO 7 6.211 2.552 -1.027 59 H THR 8 H THR 8 9.284 6.441 1.913 60 HA THR 8 HA THR 8 11.162 7.183 -0.158 61 HB THR 8 HB THR 8 11.786 7.526 2.757 62 HG1 THR 8 HG1 THR 8 9.673 8.697 1.300 63 1HG2 THR 8 3HG2 THR 8 12.093 9.134 0.219 64 2HG2 THR 8 2HG2 THR 8 12.348 9.843 1.814 65 3HG2 THR 8 1HG2 THR 8 13.362 8.506 1.271 66 H PHE 9 H PHE 9 13.083 6.219 -0.681 67 HA PHE 9 HA PHE 9 13.857 3.808 0.881 68 1HB PHE 9 2HB PHE 9 14.882 4.739 -1.819 69 2HB PHE 9 1HB PHE 9 15.140 3.157 -1.076 70 HD1 PHE 9 HD2 PHE 9 13.095 1.703 -0.576 71 HD2 PHE 9 HD1 PHE 9 12.943 5.175 -3.103 72 HE1 PHE 9 HE2 PHE 9 10.967 0.892 -1.561 73 HE2 PHE 9 HE1 PHE 9 10.815 4.364 -4.088 74 HZ PHE 9 HZ PHE 9 9.826 2.223 -3.318 75 HA PRO 10 HA PRO 10 17.405 5.829 2.495 76 1HB PRO 10 2HB PRO 10 18.982 3.619 2.927 77 2HB PRO 10 1HB PRO 10 17.593 4.044 3.943 78 1HG PRO 10 2HG PRO 10 17.830 1.890 1.894 79 2HG PRO 10 1HG PRO 10 16.781 1.974 3.318 80 1HD PRO 10 2HD PRO 10 15.992 2.474 0.646 81 2HD PRO 10 1HD PRO 10 15.055 2.871 2.104 82 H GLU 11 H GLU 11 20.084 4.954 2.197 83 HA GLU 11 HA GLU 11 20.665 5.948 -0.481 84 1HB GLU 11 2HB GLU 11 22.015 6.068 1.868 85 2HB GLU 11 1HB GLU 11 22.835 4.700 1.113 86 1HG GLU 11 2HG GLU 11 22.710 6.420 -0.991 87 2HG GLU 11 1HG GLU 11 22.841 7.561 0.349 88 H SER 12 H SER 12 21.436 2.884 1.214 89 HA SER 12 HA SER 12 22.573 1.428 -0.824 90 1HB SER 12 2HB SER 12 22.269 0.390 1.320 91 2HB SER 12 1HB SER 12 20.513 0.535 1.206 92 HG SER 12 HG SER 12 20.982 -1.523 0.601 93 H ILE 13 H ILE 13 19.050 1.772 -0.301 94 HA ILE 13 HA ILE 13 18.545 0.556 -2.945 95 HB ILE 13 HB ILE 13 16.481 1.741 -1.083 96 1HG1 ILE 13 2HG1 ILE 13 17.649 -1.062 -1.026 97 2HG1 ILE 13 1HG1 ILE 13 17.925 0.180 0.197 98 1HG2 ILE 13 1HG2 ILE 13 16.394 0.478 -3.607 99 2HG2 ILE 13 3HG2 ILE 13 15.806 -0.715 -2.449 100 3HG2 ILE 13 2HG2 ILE 13 15.027 0.863 -2.560 101 1HD1 ILE 13 3HD1 ILE 13 15.171 -0.821 -0.568 102 2HD1 ILE 13 2HD1 ILE 13 16.102 -1.471 0.781 103 3HD1 ILE 13 1HD1 ILE 13 15.590 0.215 0.796 104 H ALA 14 H ALA 14 17.716 1.710 -4.710 105 HA ALA 14 HA ALA 14 17.723 4.685 -4.395 106 1HB ALA 14 3HB ALA 14 19.329 3.193 -6.042 107 2HB ALA 14 2HB ALA 14 17.989 3.586 -7.119 108 3HB ALA 14 1HB ALA 14 18.898 4.877 -6.333 109 H ASP 15 H ASP 15 15.690 2.094 -4.772 110 HA ASP 15 HA ASP 15 13.329 3.486 -5.135 111 1HB ASP 15 2HB ASP 15 12.980 2.937 -7.683 112 2HB ASP 15 1HB ASP 15 13.844 4.404 -7.223 113 H GLY 16 H GLY 16 11.758 1.895 -6.721 114 1HA GLY 16 2HA GLY 16 12.432 -0.919 -6.049 115 2HA GLY 16 1HA GLY 16 10.923 -0.256 -5.420 116 H THR 17 H THR 17 9.942 -2.015 -6.768 117 HA THR 17 HA THR 17 9.273 -0.939 -9.437 118 HB THR 17 HB THR 17 10.537 -3.653 -8.980 119 HG1 THR 17 HG1 THR 17 11.948 -1.955 -9.430 120 1HG2 THR 17 3HG2 THR 17 8.466 -2.870 -10.852 121 2HG2 THR 17 2HG2 THR 17 9.940 -3.333 -11.704 122 3HG2 THR 17 1HG2 THR 17 9.179 -4.461 -10.582 123 H VAL 18 H VAL 18 7.124 -1.283 -9.856 124 HA VAL 18 HA VAL 18 5.312 -2.192 -7.934 125 HB VAL 18 HB VAL 18 4.954 -2.454 -10.935 126 1HG1 VAL 18 2HG1 VAL 18 3.228 -3.574 -9.564 127 2HG1 VAL 18 1HG1 VAL 18 2.966 -2.073 -8.675 128 3HG1 VAL 18 3HG1 VAL 18 2.570 -2.162 -10.391 129 1HG2 VAL 18 1HG2 VAL 18 5.183 -0.126 -9.152 130 2HG2 VAL 18 3HG2 VAL 18 5.281 -0.206 -10.912 131 3HG2 VAL 18 2HG2 VAL 18 3.707 -0.129 -10.119 132 H ALA 19 H ALA 19 4.017 -4.206 -7.878 133 HA ALA 19 HA ALA 19 5.716 -6.556 -8.577 134 1HB ALA 19 3HB ALA 19 5.103 -6.280 -6.186 135 2HB ALA 19 2HB ALA 19 3.399 -6.356 -6.629 136 3HB ALA 19 1HB ALA 19 4.434 -7.763 -6.867 137 H THR 20 H THR 20 2.197 -6.303 -8.062 138 HA THR 20 HA THR 20 1.630 -6.873 -10.875 139 HB THR 20 HB THR 20 1.269 -8.992 -8.741 140 HG1 THR 20 HG1 THR 20 2.851 -9.886 -9.769 141 1HG2 THR 20 1HG2 THR 20 -0.043 -8.660 -11.438 142 2HG2 THR 20 3HG2 THR 20 0.151 -10.246 -10.691 143 3HG2 THR 20 2HG2 THR 20 -0.806 -9.002 -9.885 144 H TRP 21 H TRP 21 -0.349 -5.996 -11.330 145 HA TRP 21 HA TRP 21 -1.992 -5.036 -9.086 146 1HB TRP 21 2HB TRP 21 -1.756 -4.484 -12.009 147 2HB TRP 21 1HB TRP 21 -3.316 -4.194 -11.246 148 HD1 TRP 21 HD1 TRP 21 0.170 -2.826 -11.515 149 HE1 TRP 21 HE1 TRP 21 0.355 -0.654 -10.129 150 HE3 TRP 21 HE3 TRP 21 -4.272 -2.987 -8.996 151 HZ2 TRP 21 HZ2 TRP 21 -1.150 0.804 -8.235 152 HZ3 TRP 21 HZ3 TRP 21 -4.872 -1.184 -7.398 153 HH2 TRP 21 HH2 TRP 21 -3.316 0.714 -7.013 154 H HIS 22 H HIS 22 -2.801 -7.130 -8.388 155 HA HIS 22 HA HIS 22 -4.002 -9.144 -9.875 156 1HB HIS 22 2HB HIS 22 -5.562 -8.174 -7.505 157 2HB HIS 22 1HB HIS 22 -5.117 -9.823 -7.954 158 HD1 HIS 22 HD1 HIS 22 -3.699 -6.695 -6.408 159 HD2 HIS 22 HD2 HIS 22 -2.620 -10.683 -6.952 160 HE1 HIS 22 HE1 HIS 22 -1.556 -7.033 -5.131 161 H LYS 23 H LYS 23 -5.992 -6.510 -8.479 162 HA LYS 23 HA LYS 23 -7.941 -6.929 -10.670 163 1HB LYS 23 2HB LYS 23 -8.011 -5.383 -8.075 164 2HB LYS 23 1HB LYS 23 -9.270 -5.210 -9.299 165 1HG LYS 23 2HG LYS 23 -8.700 -8.009 -8.835 166 2HG LYS 23 1HG LYS 23 -9.103 -7.204 -7.317 167 1HD LYS 23 2HD LYS 23 -10.968 -6.136 -9.026 168 2HD LYS 23 1HD LYS 23 -10.813 -7.780 -9.646 169 1HE LYS 23 2HE LYS 23 -12.305 -8.284 -8.000 170 2HE LYS 23 1HE LYS 23 -10.884 -8.248 -6.958 171 1HZ LYS 23 1HZ LYS 23 -12.680 -5.947 -7.509 172 2HZ LYS 23 3HZ LYS 23 -12.666 -6.868 -6.084 173 3HZ LYS 23 2HZ LYS 23 -11.315 -5.923 -6.495 174 H LYS 24 H LYS 24 -9.018 -4.488 -11.090 175 HA LYS 24 HA LYS 24 -6.712 -2.782 -11.947 176 1HB LYS 24 2HB LYS 24 -8.953 -3.919 -13.499 177 2HB LYS 24 1HB LYS 24 -8.667 -2.200 -13.772 178 1HG LYS 24 2HG LYS 24 -7.308 -3.441 -15.346 179 2HG LYS 24 1HG LYS 24 -6.236 -2.733 -14.138 180 1HD LYS 24 2HD LYS 24 -5.705 -4.764 -13.216 181 2HD LYS 24 1HD LYS 24 -7.303 -5.442 -13.534 182 1HE LYS 24 2HE LYS 24 -6.385 -6.529 -15.283 183 2HE LYS 24 1HE LYS 24 -6.232 -4.959 -16.074 184 1HZ LYS 24 3HZ LYS 24 -4.187 -5.672 -14.120 185 2HZ LYS 24 2HZ LYS 24 -4.160 -6.508 -15.599 186 3HZ LYS 24 1HZ LYS 24 -4.044 -4.814 -15.575 187 HA PRO 25 HA PRO 25 -8.834 0.615 -10.162 188 1HB PRO 25 2HB PRO 25 -8.317 2.613 -11.980 189 2HB PRO 25 1HB PRO 25 -7.102 1.965 -10.865 190 1HG PRO 25 2HG PRO 25 -7.408 1.483 -13.796 191 2HG PRO 25 1HG PRO 25 -5.945 1.441 -12.800 192 1HD PRO 25 2HD PRO 25 -7.375 -0.816 -13.704 193 2HD PRO 25 1HD PRO 25 -6.159 -0.811 -12.410 194 H GLY 26 H GLY 26 -11.003 1.088 -10.103 195 1HA GLY 26 2HA GLY 26 -12.945 2.168 -11.175 196 2HA GLY 26 1HA GLY 26 -12.439 1.432 -12.700 197 H GLU 27 H GLU 27 -12.170 -0.546 -9.890 198 HA GLU 27 HA GLU 27 -14.664 -1.986 -10.705 199 1HB GLU 27 2HB GLU 27 -11.984 -3.051 -9.789 200 2HB GLU 27 1HB GLU 27 -13.443 -4.042 -9.793 201 1HG GLU 27 2HG GLU 27 -12.850 -2.533 -12.289 202 2HG GLU 27 1HG GLU 27 -11.794 -3.897 -11.917 203 H ALA 28 H ALA 28 -15.130 -3.645 -8.694 204 HA ALA 28 HA ALA 28 -15.555 -1.829 -6.393 205 1HB ALA 28 3HB ALA 28 -16.822 -4.308 -7.426 206 2HB ALA 28 2HB ALA 28 -16.790 -4.131 -5.671 207 3HB ALA 28 1HB ALA 28 -17.562 -2.898 -6.669 208 H VAL 29 H VAL 29 -14.777 -2.302 -4.302 209 HA VAL 29 HA VAL 29 -12.989 -4.667 -4.032 210 HB VAL 29 HB VAL 29 -12.226 -1.822 -3.304 211 1HG1 VAL 29 3HG1 VAL 29 -11.227 -4.470 -2.498 212 2HG1 VAL 29 2HG1 VAL 29 -9.975 -3.401 -3.129 213 3HG1 VAL 29 1HG1 VAL 29 -10.958 -2.893 -1.756 214 1HG2 VAL 29 2HG2 VAL 29 -11.643 -3.623 -5.606 215 2HG2 VAL 29 1HG2 VAL 29 -11.745 -1.863 -5.554 216 3HG2 VAL 29 3HG2 VAL 29 -10.294 -2.679 -4.974 217 H LYS 30 H LYS 30 -12.737 -5.363 -1.832 218 HA LYS 30 HA LYS 30 -14.592 -4.029 0.101 219 1HB LYS 30 2HB LYS 30 -14.284 -6.939 -0.605 220 2HB LYS 30 1HB LYS 30 -14.828 -6.475 1.008 221 1HG LYS 30 2HG LYS 30 -16.879 -6.553 -0.035 222 2HG LYS 30 1HG LYS 30 -16.445 -4.889 -0.429 223 1HD LYS 30 2HD LYS 30 -15.564 -5.595 -2.597 224 2HD LYS 30 1HD LYS 30 -15.889 -7.284 -2.204 225 1HE LYS 30 2HE LYS 30 -18.271 -6.882 -2.145 226 2HE LYS 30 1HE LYS 30 -18.030 -5.143 -2.305 227 1HZ LYS 30 1HZ LYS 30 -16.849 -5.727 -4.462 228 2HZ LYS 30 3HZ LYS 30 -17.572 -7.255 -4.319 229 3HZ LYS 30 2HZ LYS 30 -18.542 -5.866 -4.442 230 H ARG 31 H ARG 31 -13.781 -3.792 2.182 231 HA ARG 31 HA ARG 31 -11.090 -3.593 2.717 232 1HB ARG 31 2HB ARG 31 -12.950 -2.911 4.262 233 2HB ARG 31 1HB ARG 31 -13.111 -4.602 4.736 234 1HG ARG 31 2HG ARG 31 -10.346 -3.608 4.841 235 2HG ARG 31 1HG ARG 31 -11.439 -2.784 5.954 236 1HD ARG 31 2HD ARG 31 -11.990 -5.606 6.009 237 2HD ARG 31 1HD ARG 31 -10.266 -5.346 6.272 238 HE ARG 31 HE ARG 31 -11.405 -3.502 7.955 239 1HH1 ARG 31 2HH1 ARG 31 -13.187 -6.237 7.355 240 2HH1 ARG 31 1HH1 ARG 31 -13.123 -6.868 8.966 241 1HH2 ARG 31 1HH2 ARG 31 -10.759 -4.578 10.055 242 2HH2 ARG 31 2HH2 ARG 31 -11.749 -5.929 10.495 243 H ASP 32 H ASP 32 -9.516 -4.987 3.736 244 HA ASP 32 HA ASP 32 -8.402 -7.028 4.052 245 1HB ASP 32 2HB ASP 32 -10.543 -7.390 5.469 246 2HB ASP 32 1HB ASP 32 -11.101 -8.374 4.115 247 H GLU 33 H GLU 33 -8.805 -6.132 1.397 248 HA GLU 33 HA GLU 33 -8.928 -8.762 -0.005 249 1HB GLU 33 2HB GLU 33 -11.066 -7.636 -0.424 250 2HB GLU 33 1HB GLU 33 -10.216 -6.181 -0.946 251 1HG GLU 33 2HG GLU 33 -10.012 -7.010 -3.026 252 2HG GLU 33 1HG GLU 33 -9.185 -8.437 -2.398 253 H LEU 34 H LEU 34 -6.933 -9.046 -0.871 254 HA LEU 34 HA LEU 34 -4.854 -7.255 -1.071 255 1HB LEU 34 2HB LEU 34 -4.693 -9.681 -1.609 256 2HB LEU 34 1HB LEU 34 -5.502 -9.369 -3.144 257 HG LEU 34 HG LEU 34 -3.693 -7.894 -3.848 258 1HD1 LEU 34 2HD1 LEU 34 -2.534 -8.499 -1.110 259 2HD1 LEU 34 1HD1 LEU 34 -1.675 -7.652 -2.398 260 3HD1 LEU 34 3HD1 LEU 34 -3.115 -6.933 -1.677 261 1HD2 LEU 34 2HD2 LEU 34 -2.897 -10.601 -2.767 262 2HD2 LEU 34 1HD2 LEU 34 -3.257 -10.152 -4.435 263 3HD2 LEU 34 3HD2 LEU 34 -1.762 -9.603 -3.677 264 H ILE 35 H ILE 35 -4.184 -5.671 -2.549 265 HA ILE 35 HA ILE 35 -6.123 -5.022 -4.732 266 HB ILE 35 HB ILE 35 -4.711 -3.162 -2.806 267 1HG1 ILE 35 2HG1 ILE 35 -7.603 -3.735 -3.510 268 2HG1 ILE 35 1HG1 ILE 35 -6.810 -3.981 -1.955 269 1HG2 ILE 35 2HG2 ILE 35 -4.515 -2.305 -5.124 270 2HG2 ILE 35 1HG2 ILE 35 -6.261 -2.463 -5.319 271 3HG2 ILE 35 3HG2 ILE 35 -5.604 -1.312 -4.155 272 1HD1 ILE 35 1HD1 ILE 35 -6.441 -1.537 -1.770 273 2HD1 ILE 35 3HD1 ILE 35 -7.281 -1.306 -3.302 274 3HD1 ILE 35 2HD1 ILE 35 -8.155 -1.927 -1.901 275 H VAL 36 H VAL 36 -2.766 -4.595 -3.584 276 HA VAL 36 HA VAL 36 -1.746 -5.202 -6.248 277 HB VAL 36 HB VAL 36 -2.354 -2.847 -6.578 278 1HG1 VAL 36 2HG1 VAL 36 -2.149 -2.367 -4.050 279 2HG1 VAL 36 1HG1 VAL 36 -0.427 -2.147 -4.361 280 3HG1 VAL 36 3HG1 VAL 36 -1.607 -1.103 -5.155 281 1HG2 VAL 36 3HG2 VAL 36 0.223 -3.974 -6.895 282 2HG2 VAL 36 2HG2 VAL 36 -0.465 -2.615 -7.786 283 3HG2 VAL 36 1HG2 VAL 36 0.476 -2.324 -6.322 284 H ASP 37 H ASP 37 0.492 -5.683 -6.177 285 HA ASP 37 HA ASP 37 1.615 -5.800 -3.415 286 1HB ASP 37 2HB ASP 37 1.920 -7.490 -5.870 287 2HB ASP 37 1HB ASP 37 3.268 -7.408 -4.733 288 H ILE 38 H ILE 38 3.968 -5.365 -3.216 289 HA ILE 38 HA ILE 38 4.977 -3.525 -5.346 290 HB ILE 38 HB ILE 38 4.169 -2.191 -3.443 291 1HG1 ILE 38 2HG1 ILE 38 7.083 -2.045 -2.960 292 2HG1 ILE 38 1HG1 ILE 38 6.615 -1.990 -4.660 293 1HG2 ILE 38 1HG2 ILE 38 5.521 -4.327 -1.962 294 2HG2 ILE 38 3HG2 ILE 38 5.951 -2.717 -1.383 295 3HG2 ILE 38 2HG2 ILE 38 4.260 -3.216 -1.427 296 1HD1 ILE 38 2HD1 ILE 38 4.993 -0.316 -2.826 297 2HD1 ILE 38 1HD1 ILE 38 6.661 0.203 -3.063 298 3HD1 ILE 38 3HD1 ILE 38 5.583 0.038 -4.449 299 H GLU 39 H GLU 39 7.256 -3.570 -5.646 300 HA GLU 39 HA GLU 39 8.582 -5.934 -4.392 301 1HB GLU 39 2HB GLU 39 9.484 -4.449 -6.870 302 2HB GLU 39 1HB GLU 39 9.979 -6.055 -6.332 303 1HG GLU 39 2HG GLU 39 7.069 -5.756 -6.662 304 2HG GLU 39 1HG GLU 39 7.982 -5.565 -8.159 305 H THR 40 H THR 40 10.730 -5.685 -3.570 306 HA THR 40 HA THR 40 11.694 -2.874 -3.309 307 HB THR 40 HB THR 40 12.227 -4.462 -0.926 308 HG1 THR 40 HG1 THR 40 10.154 -4.689 -0.240 309 1HG2 THR 40 3HG2 THR 40 12.062 -1.826 -1.592 310 2HG2 THR 40 2HG2 THR 40 10.498 -2.067 -0.815 311 3HG2 THR 40 1HG2 THR 40 11.984 -2.426 0.064 312 H ASP 41 H ASP 41 13.998 -3.175 -2.007 313 HA ASP 41 HA ASP 41 15.869 -4.123 -3.786 314 1HB ASP 41 2HB ASP 41 16.078 -3.010 -1.360 315 2HB ASP 41 1HB ASP 41 16.451 -4.676 -0.913 316 H LYS 42 H LYS 42 15.074 -6.041 -0.870 317 HA LYS 42 HA LYS 42 15.110 -8.480 -2.587 318 1HB LYS 42 2HB LYS 42 16.474 -8.283 0.113 319 2HB LYS 42 1HB LYS 42 16.502 -9.656 -0.995 320 1HG LYS 42 2HG LYS 42 17.448 -7.816 -2.677 321 2HG LYS 42 1HG LYS 42 17.953 -7.049 -1.171 322 1HD LYS 42 2HD LYS 42 18.497 -9.935 -1.251 323 2HD LYS 42 1HD LYS 42 19.364 -9.019 -2.485 324 1HE LYS 42 2HE LYS 42 19.297 -8.049 0.365 325 2HE LYS 42 1HE LYS 42 20.459 -9.278 -0.132 326 1HZ LYS 42 3HZ LYS 42 20.868 -7.596 -2.068 327 2HZ LYS 42 2HZ LYS 42 20.249 -6.472 -0.955 328 3HZ LYS 42 1HZ LYS 42 21.628 -7.385 -0.567 329 H VAL 43 H VAL 43 12.858 -7.029 -1.497 330 HA VAL 43 HA VAL 43 11.642 -9.240 0.030 331 HB VAL 43 HB VAL 43 11.734 -6.404 1.107 332 1HG1 VAL 43 3HG1 VAL 43 10.343 -8.920 2.070 333 2HG1 VAL 43 2HG1 VAL 43 10.539 -7.470 3.055 334 3HG1 VAL 43 1HG1 VAL 43 9.581 -7.408 1.575 335 1HG2 VAL 43 2HG2 VAL 43 12.946 -9.003 2.102 336 2HG2 VAL 43 1HG2 VAL 43 13.831 -7.606 1.491 337 3HG2 VAL 43 3HG2 VAL 43 12.937 -7.490 3.007 338 H VAL 44 H VAL 44 9.306 -9.140 -0.030 339 HA VAL 44 HA VAL 44 8.243 -7.121 -1.968 340 HB VAL 44 HB VAL 44 8.448 -9.428 -2.938 341 1HG1 VAL 44 3HG1 VAL 44 7.797 -10.369 -0.533 342 2HG1 VAL 44 2HG1 VAL 44 6.168 -10.289 -1.205 343 3HG1 VAL 44 1HG1 VAL 44 7.402 -11.266 -1.999 344 1HG2 VAL 44 2HG2 VAL 44 5.712 -8.205 -2.512 345 2HG2 VAL 44 1HG2 VAL 44 6.778 -8.014 -3.903 346 3HG2 VAL 44 3HG2 VAL 44 5.981 -9.559 -3.609 347 H MET 45 H MET 45 6.491 -6.001 -1.228 348 HA MET 45 HA MET 45 5.249 -6.949 1.319 349 1HB MET 45 2HB MET 45 5.789 -4.243 0.151 350 2HB MET 45 1HB MET 45 4.395 -4.435 1.216 351 1HG MET 45 2HG MET 45 5.717 -4.513 3.038 352 2HG MET 45 1HG MET 45 6.710 -5.782 2.322 353 1HE MET 45 2HE MET 45 6.401 -2.788 3.783 354 2HE MET 45 1HE MET 45 8.100 -3.060 4.164 355 3HE MET 45 3HE MET 45 7.614 -1.631 3.241 356 H GLU 46 H GLU 46 2.855 -6.002 1.448 357 HA GLU 46 HA GLU 46 1.520 -6.471 -1.183 358 1HB GLU 46 2HB GLU 46 0.408 -7.448 1.455 359 2HB GLU 46 1HB GLU 46 -0.118 -7.881 -0.173 360 1HG GLU 46 2HG GLU 46 1.235 -9.683 0.032 361 2HG GLU 46 1HG GLU 46 2.571 -8.553 -0.187 362 H VAL 47 H VAL 47 -0.485 -5.330 -1.445 363 HA VAL 47 HA VAL 47 -0.944 -3.197 0.604 364 HB VAL 47 HB VAL 47 -1.297 -2.960 -2.401 365 1HG1 VAL 47 1HG1 VAL 47 -1.956 -1.258 -0.056 366 2HG1 VAL 47 3HG1 VAL 47 -1.217 -0.433 -1.429 367 3HG1 VAL 47 2HG1 VAL 47 -2.719 -1.332 -1.645 368 1HG2 VAL 47 2HG2 VAL 47 0.949 -2.302 -0.530 369 2HG2 VAL 47 1HG2 VAL 47 1.014 -2.902 -2.186 370 3HG2 VAL 47 3HG2 VAL 47 0.634 -1.208 -1.877 371 H LEU 48 H LEU 48 -2.715 -4.147 1.628 372 HA LEU 48 HA LEU 48 -4.930 -5.204 -0.022 373 1HB LEU 48 2HB LEU 48 -3.964 -5.613 2.666 374 2HB LEU 48 1HB LEU 48 -5.664 -5.147 2.712 375 HG LEU 48 HG LEU 48 -6.029 -6.885 0.861 376 1HD1 LEU 48 3HD1 LEU 48 -3.465 -7.006 0.490 377 2HD1 LEU 48 2HD1 LEU 48 -3.452 -8.055 1.908 378 3HD1 LEU 48 1HD1 LEU 48 -4.369 -8.521 0.475 379 1HD2 LEU 48 2HD2 LEU 48 -6.350 -7.064 3.494 380 2HD2 LEU 48 1HD2 LEU 48 -6.548 -8.483 2.464 381 3HD2 LEU 48 3HD2 LEU 48 -5.041 -8.237 3.347 382 H ALA 49 H ALA 49 -7.201 -4.463 0.654 383 HA ALA 49 HA ALA 49 -7.255 -1.524 0.548 384 1HB ALA 49 3HB ALA 49 -8.787 -3.258 -0.723 385 2HB ALA 49 2HB ALA 49 -9.723 -3.219 0.771 386 3HB ALA 49 1HB ALA 49 -9.468 -1.736 -0.148 387 H GLU 50 H GLU 50 -7.865 -0.199 2.234 388 HA GLU 50 HA GLU 50 -8.278 -1.520 4.865 389 1HB GLU 50 2HB GLU 50 -6.895 0.844 3.976 390 2HB GLU 50 1HB GLU 50 -8.125 1.299 5.156 391 1HG GLU 50 2HG GLU 50 -6.150 -0.957 5.588 392 2HG GLU 50 1HG GLU 50 -5.893 0.689 6.169 393 H ALA 51 H ALA 51 -10.291 -0.854 2.538 394 HA ALA 51 HA ALA 51 -12.613 -0.599 4.109 395 1HB ALA 51 3HB ALA 51 -11.524 2.045 3.109 396 2HB ALA 51 2HB ALA 51 -13.204 1.813 3.592 397 3HB ALA 51 1HB ALA 51 -11.909 1.608 4.773 398 H ASP 52 H ASP 52 -14.334 -1.075 2.790 399 HA ASP 52 HA ASP 52 -13.972 -1.770 0.083 400 1HB ASP 52 2HB ASP 52 -15.894 -2.711 0.924 401 2HB ASP 52 1HB ASP 52 -16.336 -1.276 1.841 402 H GLY 53 H GLY 53 -15.255 -0.694 -1.761 403 1HA GLY 53 2HA GLY 53 -16.161 1.758 -2.207 404 2HA GLY 53 1HA GLY 53 -14.496 2.181 -1.792 405 H VAL 54 H VAL 54 -14.172 2.994 -3.963 406 HA VAL 54 HA VAL 54 -13.642 0.800 -5.910 407 HB VAL 54 HB VAL 54 -15.100 3.400 -6.463 408 1HG1 VAL 54 3HG1 VAL 54 -13.586 1.534 -8.234 409 2HG1 VAL 54 2HG1 VAL 54 -15.121 2.159 -8.837 410 3HG1 VAL 54 1HG1 VAL 54 -13.831 3.274 -8.385 411 1HG2 VAL 54 3HG2 VAL 54 -15.807 0.467 -6.546 412 2HG2 VAL 54 2HG2 VAL 54 -16.666 1.782 -5.743 413 3HG2 VAL 54 1HG2 VAL 54 -16.708 1.643 -7.501 414 H ILE 55 H ILE 55 -11.668 1.016 -6.904 415 HA ILE 55 HA ILE 55 -9.774 2.928 -5.956 416 HB ILE 55 HB ILE 55 -9.668 1.364 -8.551 417 1HG1 ILE 55 2HG1 ILE 55 -10.162 0.028 -6.426 418 2HG1 ILE 55 1HG1 ILE 55 -8.712 -0.444 -7.310 419 1HG2 ILE 55 2HG2 ILE 55 -7.618 2.743 -6.814 420 2HG2 ILE 55 1HG2 ILE 55 -7.164 1.464 -7.941 421 3HG2 ILE 55 3HG2 ILE 55 -7.902 2.949 -8.542 422 1HD1 ILE 55 1HD1 ILE 55 -8.404 1.659 -5.219 423 2HD1 ILE 55 3HD1 ILE 55 -8.676 0.006 -4.666 424 3HD1 ILE 55 2HD1 ILE 55 -7.292 0.375 -5.694 425 H ALA 56 H ALA 56 -8.580 4.468 -7.500 426 HA ALA 56 HA ALA 56 -10.633 6.042 -8.977 427 1HB ALA 56 3HB ALA 56 -9.377 7.222 -7.204 428 2HB ALA 56 2HB ALA 56 -7.863 6.837 -8.024 429 3HB ALA 56 1HB ALA 56 -9.035 7.911 -8.791 430 H GLU 57 H GLU 57 -7.128 5.372 -9.350 431 HA GLU 57 HA GLU 57 -7.368 4.225 -11.954 432 1HB GLU 57 2HB GLU 57 -7.549 7.109 -11.856 433 2HB GLU 57 1HB GLU 57 -6.091 6.624 -12.722 434 1HG GLU 57 2HG GLU 57 -7.699 4.911 -13.902 435 2HG GLU 57 1HG GLU 57 -8.962 6.021 -13.367 436 H ILE 58 H ILE 58 -5.454 3.188 -12.330 437 HA ILE 58 HA ILE 58 -3.176 3.822 -10.557 438 HB ILE 58 HB ILE 58 -3.421 1.611 -12.617 439 1HG1 ILE 58 2HG1 ILE 58 -5.236 1.305 -11.077 440 2HG1 ILE 58 1HG1 ILE 58 -3.951 0.214 -10.548 441 1HG2 ILE 58 3HG2 ILE 58 -1.129 2.118 -11.841 442 2HG2 ILE 58 2HG2 ILE 58 -1.661 1.947 -10.169 443 3HG2 ILE 58 1HG2 ILE 58 -1.670 0.550 -11.243 444 1HD1 ILE 58 2HD1 ILE 58 -3.196 2.017 -8.950 445 2HD1 ILE 58 1HD1 ILE 58 -4.646 2.924 -9.382 446 3HD1 ILE 58 3HD1 ILE 58 -4.790 1.354 -8.591 447 H VAL 59 H VAL 59 -1.494 5.050 -11.247 448 HA VAL 59 HA VAL 59 -1.373 5.824 -14.095 449 HB VAL 59 HB VAL 59 0.339 6.740 -11.764 450 1HG1 VAL 59 3HG1 VAL 59 0.749 7.046 -14.482 451 2HG1 VAL 59 2HG1 VAL 59 -0.108 8.526 -14.050 452 3HG1 VAL 59 1HG1 VAL 59 1.396 8.107 -13.230 453 1HG2 VAL 59 1HG2 VAL 59 -2.397 7.194 -12.233 454 2HG2 VAL 59 3HG2 VAL 59 -1.351 8.100 -11.140 455 3HG2 VAL 59 2HG2 VAL 59 -1.584 8.654 -12.798 456 H LYS 60 H LYS 60 0.473 3.978 -11.722 457 HA LYS 60 HA LYS 60 2.623 3.502 -13.708 458 1HB LYS 60 2HB LYS 60 2.475 3.556 -10.847 459 2HB LYS 60 1HB LYS 60 2.998 1.947 -11.347 460 1HG LYS 60 2HG LYS 60 4.992 3.252 -11.158 461 2HG LYS 60 1HG LYS 60 4.667 3.113 -12.886 462 1HD LYS 60 2HD LYS 60 3.283 5.346 -12.438 463 2HD LYS 60 1HD LYS 60 4.416 5.493 -11.094 464 1HE LYS 60 2HE LYS 60 6.250 5.720 -12.483 465 2HE LYS 60 1HE LYS 60 5.515 4.783 -13.782 466 1HZ LYS 60 3HZ LYS 60 4.041 7.157 -13.208 467 2HZ LYS 60 2HZ LYS 60 5.650 7.507 -13.627 468 3HZ LYS 60 1HZ LYS 60 4.670 6.609 -14.685 469 H ASN 61 H ASN 61 3.002 1.458 -14.613 470 HA ASN 61 HA ASN 61 0.808 -0.528 -14.192 471 1HB ASN 61 2HB ASN 61 2.603 -0.042 -16.589 472 2HB ASN 61 1HB ASN 61 1.448 -1.370 -16.466 473 1HD2 ASN 61 2HD2 ASN 61 0.124 2.364 -17.362 474 2HD2 ASN 61 1HD2 ASN 61 1.780 2.052 -17.093 475 H GLU 62 H GLU 62 1.530 -2.846 -14.469 476 HA GLU 62 HA GLU 62 3.641 -3.487 -12.681 477 1HB GLU 62 2HB GLU 62 2.522 -5.236 -14.892 478 2HB GLU 62 1HB GLU 62 3.365 -5.787 -13.444 479 1HG GLU 62 2HG GLU 62 1.593 -5.051 -12.015 480 2HG GLU 62 1HG GLU 62 0.823 -4.150 -13.326 481 H GLY 63 H GLY 63 5.790 -4.166 -13.060 482 1HA GLY 63 2HA GLY 63 7.742 -4.590 -14.362 483 2HA GLY 63 1HA GLY 63 6.824 -4.190 -15.819 484 H ASP 64 H ASP 64 6.292 -1.858 -13.453 485 HA ASP 64 HA ASP 64 8.259 -0.059 -14.787 486 1HB ASP 64 2HB ASP 64 6.248 1.012 -15.088 487 2HB ASP 64 1HB ASP 64 5.530 0.325 -13.632 488 H THR 65 H THR 65 9.044 1.740 -13.260 489 HA THR 65 HA THR 65 9.887 0.453 -10.697 490 HB THR 65 HB THR 65 11.202 2.817 -12.054 491 HG1 THR 65 HG1 THR 65 12.156 1.476 -13.344 492 1HG2 THR 65 2HG2 THR 65 11.593 2.209 -9.581 493 2HG2 THR 65 1HG2 THR 65 12.412 0.771 -10.195 494 3HG2 THR 65 3HG2 THR 65 13.021 2.376 -10.603 495 H VAL 66 H VAL 66 9.679 1.628 -8.755 496 HA VAL 66 HA VAL 66 7.994 4.093 -8.964 497 HB VAL 66 HB VAL 66 7.312 3.438 -6.574 498 1HG1 VAL 66 1HG1 VAL 66 6.573 2.043 -9.115 499 2HG1 VAL 66 3HG1 VAL 66 5.901 1.427 -7.606 500 3HG1 VAL 66 2HG1 VAL 66 5.597 3.095 -8.090 501 1HG2 VAL 66 3HG2 VAL 66 9.305 1.734 -6.556 502 2HG2 VAL 66 2HG2 VAL 66 7.785 1.277 -5.790 503 3HG2 VAL 66 1HG2 VAL 66 8.176 0.674 -7.401 504 H LEU 67 H LEU 67 8.719 5.921 -7.910 505 HA LEU 67 HA LEU 67 11.359 5.682 -6.536 506 1HB LEU 67 2HB LEU 67 10.278 7.539 -8.461 507 2HB LEU 67 1HB LEU 67 10.726 8.403 -6.990 508 HG LEU 67 HG LEU 67 12.771 6.484 -7.553 509 1HD1 LEU 67 1HD1 LEU 67 11.514 7.519 -9.922 510 2HD1 LEU 67 3HD1 LEU 67 13.131 8.209 -9.784 511 3HD1 LEU 67 2HD1 LEU 67 12.918 6.459 -9.797 512 1HD2 LEU 67 2HD2 LEU 67 12.498 9.108 -6.658 513 2HD2 LEU 67 1HD2 LEU 67 14.022 8.251 -6.894 514 3HD2 LEU 67 3HD2 LEU 67 13.378 9.276 -8.178 515 H SER 68 H SER 68 11.605 7.541 -4.810 516 HA SER 68 HA SER 68 9.743 7.024 -2.710 517 1HB SER 68 2HB SER 68 11.772 7.772 -1.877 518 2HB SER 68 1HB SER 68 11.972 8.971 -3.152 519 HG SER 68 HG SER 68 10.487 9.082 -0.777 520 H GLY 69 H GLY 69 7.781 7.931 -2.290 521 1HA GLY 69 2HA GLY 69 6.047 9.535 -2.291 522 2HA GLY 69 1HA GLY 69 7.154 10.669 -3.067 523 H GLU 70 H GLU 70 6.797 7.537 -4.499 524 HA GLU 70 HA GLU 70 5.726 8.748 -6.936 525 1HB GLU 70 2HB GLU 70 7.406 6.897 -6.972 526 2HB GLU 70 1HB GLU 70 6.187 5.820 -6.289 527 1HG GLU 70 2HG GLU 70 5.842 5.383 -8.527 528 2HG GLU 70 1HG GLU 70 4.755 6.760 -8.341 529 H LEU 71 H LEU 71 3.584 9.328 -6.778 530 HA LEU 71 HA LEU 71 1.665 7.717 -5.282 531 1HB LEU 71 2HB LEU 71 1.536 10.236 -5.594 532 2HB LEU 71 1HB LEU 71 1.065 9.925 -7.265 533 HG LEU 71 HG LEU 71 -0.408 8.496 -5.086 534 1HD1 LEU 71 1HD1 LEU 71 -0.226 10.959 -4.466 535 2HD1 LEU 71 3HD1 LEU 71 -1.105 11.311 -5.953 536 3HD1 LEU 71 2HD1 LEU 71 -1.868 10.354 -4.683 537 1HD2 LEU 71 1HD2 LEU 71 -0.615 8.894 -7.909 538 2HD2 LEU 71 3HD2 LEU 71 -1.670 7.939 -6.867 539 3HD2 LEU 71 2HD2 LEU 71 -2.022 9.643 -7.154 540 H LEU 72 H LEU 72 0.703 5.920 -6.085 541 HA LEU 72 HA LEU 72 0.842 5.403 -8.998 542 1HB LEU 72 2HB LEU 72 -0.209 3.604 -6.794 543 2HB LEU 72 1HB LEU 72 0.215 3.129 -8.439 544 HG LEU 72 HG LEU 72 2.496 4.432 -7.451 545 1HD1 LEU 72 1HD1 LEU 72 1.093 3.832 -5.216 546 2HD1 LEU 72 3HD1 LEU 72 1.936 2.301 -5.456 547 3HD1 LEU 72 2HD1 LEU 72 2.856 3.796 -5.278 548 1HD2 LEU 72 3HD2 LEU 72 1.758 1.512 -7.785 549 2HD2 LEU 72 2HD2 LEU 72 2.601 2.544 -8.940 550 3HD2 LEU 72 1HD2 LEU 72 3.401 2.055 -7.447 551 H GLY 73 H GLY 73 -1.720 4.812 -6.567 552 1HA GLY 73 2HA GLY 73 -3.639 6.210 -8.362 553 2HA GLY 73 1HA GLY 73 -3.989 4.544 -7.885 554 H LYS 74 H LYS 74 -5.941 5.971 -7.044 555 HA LYS 74 HA LYS 74 -5.431 6.383 -4.148 556 1HB LYS 74 2HB LYS 74 -5.264 8.619 -5.223 557 2HB LYS 74 1HB LYS 74 -6.883 8.399 -5.891 558 1HG LYS 74 2HG LYS 74 -7.538 7.926 -3.385 559 2HG LYS 74 1HG LYS 74 -6.056 8.815 -3.035 560 1HD LYS 74 2HD LYS 74 -8.332 9.829 -4.765 561 2HD LYS 74 1HD LYS 74 -8.022 10.322 -3.099 562 1HE LYS 74 2HE LYS 74 -6.575 11.874 -3.839 563 2HE LYS 74 1HE LYS 74 -5.578 10.597 -4.535 564 1HZ LYS 74 2HZ LYS 74 -7.834 11.001 -6.162 565 2HZ LYS 74 1HZ LYS 74 -7.094 12.504 -5.880 566 3HZ LYS 74 3HZ LYS 74 -6.195 11.230 -6.548 567 H LEU 75 H LEU 75 -7.200 5.799 -2.876 568 HA LEU 75 HA LEU 75 -9.383 4.408 -4.304 569 1HB LEU 75 2HB LEU 75 -8.177 3.378 -2.336 570 2HB LEU 75 1HB LEU 75 -8.917 4.614 -1.317 571 HG LEU 75 HG LEU 75 -11.011 3.541 -2.878 572 1HD1 LEU 75 2HD1 LEU 75 -8.907 1.583 -2.316 573 2HD1 LEU 75 1HD1 LEU 75 -10.467 1.117 -1.639 574 3HD1 LEU 75 3HD1 LEU 75 -10.318 1.442 -3.366 575 1HD2 LEU 75 3HD2 LEU 75 -10.270 3.959 -0.124 576 2HD2 LEU 75 2HD2 LEU 75 -11.885 3.832 -0.820 577 3HD2 LEU 75 1HD2 LEU 75 -11.039 2.380 -0.288 578 H THR 76 H THR 76 -11.566 5.013 -4.129 579 HA THR 76 HA THR 76 -12.036 7.833 -3.478 580 HB THR 76 HB THR 76 -13.087 6.461 -5.415 581 HG1 THR 76 HG1 THR 76 -14.706 7.891 -5.439 582 1HG2 THR 76 2HG2 THR 76 -13.952 4.830 -3.438 583 2HG2 THR 76 1HG2 THR 76 -15.345 5.902 -3.585 584 3HG2 THR 76 3HG2 THR 76 -14.780 4.993 -4.987 585 H GLU 77 H GLU 77 -14.698 7.566 -2.576 586 HA GLU 77 HA GLU 77 -14.338 7.520 0.238 587 1HB GLU 77 2HB GLU 77 -16.836 7.161 -1.439 588 2HB GLU 77 1HB GLU 77 -16.859 7.341 0.316 589 1HG GLU 77 2HG GLU 77 -15.671 9.339 -1.633 590 2HG GLU 77 1HG GLU 77 -17.223 9.513 -0.814 591 H GLY 78 H GLY 78 -15.721 5.937 1.670 592 1HA GLY 78 2HA GLY 78 -16.131 3.243 0.757 593 2HA GLY 78 1HA GLY 78 -14.571 3.368 1.571 594 H GLY 79 HN GLY 79 -14.805 4.746 3.734 595 1HA GLY 79 2HA GLY 79 -17.199 3.665 5.168 596 2HA GLY 79 1HA GLY 79 -15.609 3.812 5.916 No H/Q in entry = 596 Start of MODEL 13 1 1H ALA 1 3H ALA 1 -9.847 6.098 0.495 2 2H ALA 1 2H ALA 1 -10.890 5.834 1.811 3 3H ALA 1 1H ALA 1 -10.906 7.325 0.996 4 HA ALA 1 HA ALA 1 -8.929 8.028 1.909 5 1HB ALA 1 3HB ALA 1 -10.337 6.260 3.927 6 2HB ALA 1 2HB ALA 1 -9.064 7.402 4.358 7 3HB ALA 1 1HB ALA 1 -10.579 7.987 3.669 8 H ILE 2 H ILE 2 -7.891 6.139 0.302 9 HA ILE 2 HA ILE 2 -5.826 4.905 2.025 10 HB ILE 2 HB ILE 2 -7.600 3.362 0.116 11 1HG1 ILE 2 2HG1 ILE 2 -7.334 1.901 2.406 12 2HG1 ILE 2 1HG1 ILE 2 -7.215 3.540 3.047 13 1HG2 ILE 2 3HG2 ILE 2 -4.818 2.854 1.084 14 2HG2 ILE 2 2HG2 ILE 2 -5.922 1.481 1.004 15 3HG2 ILE 2 1HG2 ILE 2 -5.569 2.416 -0.451 16 1HD1 ILE 2 2HD1 ILE 2 -9.302 4.030 1.576 17 2HD1 ILE 2 1HD1 ILE 2 -9.489 2.277 1.526 18 3HD1 ILE 2 3HD1 ILE 2 -9.532 3.124 3.072 19 H ASP 3 H ASP 3 -4.434 6.478 1.028 20 HA ASP 3 HA ASP 3 -4.160 6.507 -1.892 21 1HB ASP 3 2HB ASP 3 -3.797 8.585 -0.673 22 2HB ASP 3 1HB ASP 3 -2.540 7.824 0.311 23 H ILE 4 H ILE 4 -2.201 5.850 -3.000 24 HA ILE 4 HA ILE 4 -0.498 3.944 -1.454 25 HB ILE 4 HB ILE 4 -1.467 3.488 -4.289 26 1HG1 ILE 4 2HG1 ILE 4 -2.395 1.869 -1.941 27 2HG1 ILE 4 1HG1 ILE 4 -3.173 3.419 -2.258 28 1HG2 ILE 4 3HG2 ILE 4 0.242 2.003 -2.321 29 2HG2 ILE 4 2HG2 ILE 4 -0.734 1.085 -3.467 30 3HG2 ILE 4 1HG2 ILE 4 0.475 2.226 -4.055 31 1HD1 ILE 4 3HD1 ILE 4 -3.040 2.261 -4.773 32 2HD1 ILE 4 2HD1 ILE 4 -3.399 0.893 -3.721 33 3HD1 ILE 4 1HD1 ILE 4 -4.466 2.297 -3.735 34 H LYS 5 H LYS 5 1.604 4.541 -1.618 35 HA LYS 5 HA LYS 5 2.591 5.642 -4.190 36 1HB LYS 5 2HB LYS 5 3.688 7.529 -3.088 37 2HB LYS 5 1HB LYS 5 1.953 7.592 -2.773 38 1HG LYS 5 2HG LYS 5 3.481 6.017 -0.804 39 2HG LYS 5 1HG LYS 5 3.884 7.734 -0.829 40 1HD LYS 5 2HD LYS 5 1.180 7.887 -0.961 41 2HD LYS 5 1HD LYS 5 1.359 6.399 -0.031 42 1HE LYS 5 2HE LYS 5 2.494 7.473 1.717 43 2HE LYS 5 1HE LYS 5 2.961 8.838 0.702 44 1HZ LYS 5 2HZ LYS 5 0.264 8.901 0.595 45 2HZ LYS 5 1HZ LYS 5 0.542 8.406 2.196 46 3HZ LYS 5 3HZ LYS 5 1.221 9.852 1.628 47 H ALA 6 H ALA 6 5.034 5.711 -4.183 48 HA ALA 6 HA ALA 6 6.092 3.228 -3.186 49 1HB ALA 6 3HB ALA 6 6.963 4.356 -5.217 50 2HB ALA 6 2HB ALA 6 7.579 5.668 -4.211 51 3HB ALA 6 1HB ALA 6 8.246 4.043 -4.048 52 HA PRO 7 HA PRO 7 7.337 4.500 0.836 53 1HB PRO 7 2HB PRO 7 9.186 2.518 1.295 54 2HB PRO 7 1HB PRO 7 7.434 2.255 1.354 55 1HG PRO 7 2HG PRO 7 9.384 1.442 -0.752 56 2HG PRO 7 1HG PRO 7 7.830 0.711 -0.319 57 1HD PRO 7 2HD PRO 7 8.305 2.408 -2.535 58 2HD PRO 7 1HD PRO 7 6.711 1.938 -1.899 59 H THR 8 H THR 8 9.738 4.494 2.032 60 HA THR 8 HA THR 8 11.373 6.270 0.298 61 HB THR 8 HB THR 8 12.159 5.902 3.123 62 HG1 THR 8 HG1 THR 8 10.335 7.286 3.721 63 1HG2 THR 8 1HG2 THR 8 11.694 8.177 1.200 64 2HG2 THR 8 3HG2 THR 8 11.970 8.471 2.918 65 3HG2 THR 8 2HG2 THR 8 13.205 7.664 1.951 66 H PHE 9 H PHE 9 12.605 4.818 -0.929 67 HA PHE 9 HA PHE 9 13.799 2.425 0.038 68 1HB PHE 9 2HB PHE 9 14.893 4.242 -2.130 69 2HB PHE 9 1HB PHE 9 15.198 2.511 -1.942 70 HD1 PHE 9 HD2 PHE 9 12.614 1.367 -1.339 71 HD2 PHE 9 HD1 PHE 9 13.590 4.555 -4.050 72 HE1 PHE 9 HE2 PHE 9 10.578 0.864 -2.665 73 HE2 PHE 9 HE1 PHE 9 11.554 4.052 -5.376 74 HZ PHE 9 HZ PHE 9 10.048 2.206 -4.683 75 HA PRO 10 HA PRO 10 17.113 3.967 2.480 76 1HB PRO 10 2HB PRO 10 18.704 1.726 2.418 77 2HB PRO 10 1HB PRO 10 17.230 1.853 3.393 78 1HG PRO 10 2HG PRO 10 17.680 0.345 0.859 79 2HG PRO 10 1HG PRO 10 16.519 0.032 2.160 80 1HD PRO 10 2HD PRO 10 15.933 1.249 -0.330 81 2HD PRO 10 1HD PRO 10 14.874 1.226 1.099 82 H GLU 11 H GLU 11 19.805 3.430 2.248 83 HA GLU 11 HA GLU 11 20.560 5.019 -0.056 84 1HB GLU 11 2HB GLU 11 21.816 5.162 2.049 85 2HB GLU 11 1HB GLU 11 22.262 3.461 1.914 86 1HG GLU 11 2HG GLU 11 23.077 4.371 -0.516 87 2HG GLU 11 1HG GLU 11 23.334 5.813 0.468 88 H SER 12 H SER 12 20.903 1.584 0.823 89 HA SER 12 HA SER 12 22.487 0.601 -1.200 90 1HB SER 12 2HB SER 12 21.674 -1.050 0.237 91 2HB SER 12 1HB SER 12 20.009 -0.484 0.103 92 HG SER 12 HG SER 12 19.834 -1.981 -1.358 93 H ILE 13 H ILE 13 18.922 0.749 -1.553 94 HA ILE 13 HA ILE 13 19.349 1.004 -4.495 95 HB ILE 13 HB ILE 13 16.753 0.368 -3.076 96 1HG1 ILE 13 2HG1 ILE 13 18.278 -1.364 -2.402 97 2HG1 ILE 13 1HG1 ILE 13 17.324 -2.026 -3.730 98 1HG2 ILE 13 3HG2 ILE 13 17.465 0.907 -5.767 99 2HG2 ILE 13 2HG2 ILE 13 17.147 -0.825 -5.669 100 3HG2 ILE 13 1HG2 ILE 13 15.913 0.329 -5.163 101 1HD1 ILE 13 1HD1 ILE 13 19.186 -1.274 -5.290 102 2HD1 ILE 13 3HD1 ILE 13 20.148 -0.946 -3.848 103 3HD1 ILE 13 2HD1 ILE 13 19.608 -2.589 -4.193 104 H ALA 14 H ALA 14 18.359 2.718 -5.629 105 HA ALA 14 HA ALA 14 17.286 4.903 -3.890 106 1HB ALA 14 2HB ALA 14 19.494 5.025 -5.488 107 2HB ALA 14 1HB ALA 14 18.249 5.592 -6.601 108 3HB ALA 14 3HB ALA 14 18.508 6.426 -5.069 109 H ASP 15 H ASP 15 15.916 2.597 -5.381 110 HA ASP 15 HA ASP 15 13.687 4.199 -6.376 111 1HB ASP 15 2HB ASP 15 13.815 2.793 -8.614 112 2HB ASP 15 1HB ASP 15 14.716 4.301 -8.460 113 H GLY 16 H GLY 16 12.173 2.360 -7.630 114 1HA GLY 16 2HA GLY 16 12.320 -0.203 -6.170 115 2HA GLY 16 1HA GLY 16 10.911 0.802 -5.833 116 H THR 17 H THR 17 10.048 -1.403 -6.831 117 HA THR 17 HA THR 17 9.318 -0.755 -9.620 118 HB THR 17 HB THR 17 10.431 -3.482 -8.902 119 HG1 THR 17 HG1 THR 17 12.256 -2.458 -9.085 120 1HG2 THR 17 1HG2 THR 17 8.697 -3.139 -10.788 121 2HG2 THR 17 3HG2 THR 17 9.994 -2.300 -11.641 122 3HG2 THR 17 2HG2 THR 17 10.186 -3.995 -11.192 123 H VAL 18 H VAL 18 7.140 -0.983 -9.713 124 HA VAL 18 HA VAL 18 5.468 -1.910 -7.699 125 HB VAL 18 HB VAL 18 4.945 -2.240 -10.669 126 1HG1 VAL 18 3HG1 VAL 18 3.259 -2.285 -8.188 127 2HG1 VAL 18 2HG1 VAL 18 2.566 -1.651 -9.681 128 3HG1 VAL 18 1HG1 VAL 18 3.164 -3.309 -9.621 129 1HG2 VAL 18 3HG2 VAL 18 5.460 0.110 -9.137 130 2HG2 VAL 18 2HG2 VAL 18 4.917 0.008 -10.812 131 3HG2 VAL 18 1HG2 VAL 18 3.736 0.087 -9.506 132 H ALA 19 H ALA 19 4.061 -3.960 -7.787 133 HA ALA 19 HA ALA 19 5.836 -6.286 -8.401 134 1HB ALA 19 2HB ALA 19 5.219 -5.924 -5.992 135 2HB ALA 19 1HB ALA 19 3.530 -6.165 -6.437 136 3HB ALA 19 3HB ALA 19 4.688 -7.482 -6.627 137 H THR 20 H THR 20 2.316 -6.010 -7.850 138 HA THR 20 HA THR 20 1.725 -6.705 -10.630 139 HB THR 20 HB THR 20 1.378 -8.717 -8.395 140 HG1 THR 20 HG1 THR 20 3.260 -9.041 -9.420 141 1HG2 THR 20 1HG2 THR 20 -0.056 -8.420 -11.018 142 2HG2 THR 20 3HG2 THR 20 0.249 -10.028 -10.363 143 3HG2 THR 20 2HG2 THR 20 -0.707 -8.867 -9.442 144 H TRP 21 H TRP 21 -0.208 -5.750 -11.101 145 HA TRP 21 HA TRP 21 -1.861 -4.749 -8.883 146 1HB TRP 21 2HB TRP 21 -1.577 -4.211 -11.804 147 2HB TRP 21 1HB TRP 21 -3.143 -3.894 -11.062 148 HD1 TRP 21 HD1 TRP 21 0.324 -2.523 -11.361 149 HE1 TRP 21 HE1 TRP 21 0.533 -0.371 -9.945 150 HE3 TRP 21 HE3 TRP 21 -4.048 -2.750 -8.736 151 HZ2 TRP 21 HZ2 TRP 21 -0.932 1.047 -7.989 152 HZ3 TRP 21 HZ3 TRP 21 -4.621 -0.977 -7.093 153 HH2 TRP 21 HH2 TRP 21 -3.067 0.924 -6.716 154 H HIS 22 H HIS 22 -2.666 -6.868 -8.210 155 HA HIS 22 HA HIS 22 -3.907 -8.837 -9.720 156 1HB HIS 22 2HB HIS 22 -5.447 -7.904 -7.326 157 2HB HIS 22 1HB HIS 22 -4.998 -9.545 -7.801 158 HD1 HIS 22 HD1 HIS 22 -3.578 -6.433 -6.221 159 HD2 HIS 22 HD2 HIS 22 -2.501 -10.415 -6.810 160 HE1 HIS 22 HE1 HIS 22 -1.434 -6.786 -4.950 161 H LYS 23 H LYS 23 -5.907 -6.274 -8.221 162 HA LYS 23 HA LYS 23 -7.836 -6.594 -10.447 163 1HB LYS 23 2HB LYS 23 -7.926 -5.330 -7.720 164 2HB LYS 23 1HB LYS 23 -9.111 -4.863 -8.940 165 1HG LYS 23 2HG LYS 23 -10.257 -6.656 -8.100 166 2HG LYS 23 1HG LYS 23 -9.220 -7.553 -9.209 167 1HD LYS 23 2HD LYS 23 -7.683 -8.116 -7.467 168 2HD LYS 23 1HD LYS 23 -8.418 -6.963 -6.352 169 1HE LYS 23 2HE LYS 23 -9.120 -9.290 -5.853 170 2HE LYS 23 1HE LYS 23 -10.489 -8.281 -6.321 171 1HZ LYS 23 1HZ LYS 23 -9.043 -9.783 -8.388 172 2HZ LYS 23 3HZ LYS 23 -10.146 -10.605 -7.398 173 3HZ LYS 23 2HZ LYS 23 -10.670 -9.298 -8.347 174 H LYS 24 H LYS 24 -8.902 -4.315 -11.028 175 HA LYS 24 HA LYS 24 -6.656 -2.415 -11.581 176 1HB LYS 24 2HB LYS 24 -8.578 -3.707 -13.369 177 2HB LYS 24 1HB LYS 24 -8.571 -1.951 -13.537 178 1HG LYS 24 2HG LYS 24 -5.901 -2.428 -13.413 179 2HG LYS 24 1HG LYS 24 -6.450 -3.917 -14.182 180 1HD LYS 24 2HD LYS 24 -7.597 -2.641 -15.921 181 2HD LYS 24 1HD LYS 24 -7.158 -1.126 -15.131 182 1HE LYS 24 2HE LYS 24 -5.525 -1.371 -16.820 183 2HE LYS 24 1HE LYS 24 -4.714 -1.945 -15.364 184 1HZ LYS 24 1HZ LYS 24 -6.164 -3.754 -17.205 185 2HZ LYS 24 3HZ LYS 24 -4.515 -3.401 -17.385 186 3HZ LYS 24 2HZ LYS 24 -5.069 -4.172 -15.975 187 HA PRO 25 HA PRO 25 -9.144 0.799 -9.934 188 1HB PRO 25 2HB PRO 25 -8.659 2.856 -11.694 189 2HB PRO 25 1HB PRO 25 -7.477 2.287 -10.502 190 1HG PRO 25 2HG PRO 25 -7.546 1.823 -13.452 191 2HG PRO 25 1HG PRO 25 -6.154 1.883 -12.359 192 1HD PRO 25 2HD PRO 25 -7.330 -0.470 -13.375 193 2HD PRO 25 1HD PRO 25 -6.218 -0.383 -11.993 194 H GLY 26 H GLY 26 -11.359 0.827 -10.030 195 1HA GLY 26 2HA GLY 26 -13.259 1.935 -11.295 196 2HA GLY 26 1HA GLY 26 -12.639 1.097 -12.722 197 H GLU 27 H GLU 27 -12.293 -0.794 -9.939 198 HA GLU 27 HA GLU 27 -14.758 -2.323 -10.668 199 1HB GLU 27 2HB GLU 27 -13.585 -4.314 -9.816 200 2HB GLU 27 1HB GLU 27 -12.634 -3.533 -11.080 201 1HG GLU 27 2HG GLU 27 -10.942 -3.639 -9.563 202 2HG GLU 27 1HG GLU 27 -11.729 -2.229 -8.850 203 H ALA 28 H ALA 28 -15.495 -3.722 -8.678 204 HA ALA 28 HA ALA 28 -15.991 -1.832 -6.490 205 1HB ALA 28 3HB ALA 28 -17.154 -4.339 -7.471 206 2HB ALA 28 2HB ALA 28 -17.052 -4.273 -5.711 207 3HB ALA 28 1HB ALA 28 -17.920 -3.015 -6.592 208 H VAL 29 H VAL 29 -15.241 -2.066 -4.359 209 HA VAL 29 HA VAL 29 -13.037 -4.058 -4.019 210 HB VAL 29 HB VAL 29 -13.407 -1.513 -2.427 211 1HG1 VAL 29 3HG1 VAL 29 -11.562 -3.748 -2.416 212 2HG1 VAL 29 2HG1 VAL 29 -10.704 -2.239 -2.729 213 3HG1 VAL 29 1HG1 VAL 29 -11.689 -2.407 -1.276 214 1HG2 VAL 29 2HG2 VAL 29 -12.695 -1.787 -5.196 215 2HG2 VAL 29 1HG2 VAL 29 -12.742 -0.320 -4.219 216 3HG2 VAL 29 3HG2 VAL 29 -11.266 -1.284 -4.293 217 H LYS 30 H LYS 30 -12.843 -5.028 -1.868 218 HA LYS 30 HA LYS 30 -15.250 -4.800 -0.142 219 1HB LYS 30 2HB LYS 30 -14.542 -7.099 -1.820 220 2HB LYS 30 1HB LYS 30 -14.748 -7.522 -0.120 221 1HG LYS 30 2HG LYS 30 -16.830 -5.698 -0.858 222 2HG LYS 30 1HG LYS 30 -16.780 -7.000 -2.045 223 1HD LYS 30 2HD LYS 30 -16.713 -7.541 0.927 224 2HD LYS 30 1HD LYS 30 -18.229 -7.409 0.033 225 1HE LYS 30 2HE LYS 30 -16.748 -9.107 -1.562 226 2HE LYS 30 1HE LYS 30 -16.260 -9.590 0.063 227 1HZ LYS 30 1HZ LYS 30 -19.068 -9.320 -0.868 228 2HZ LYS 30 3HZ LYS 30 -18.230 -10.787 -0.711 229 3HZ LYS 30 2HZ LYS 30 -18.565 -9.850 0.666 230 H ARG 31 H ARG 31 -14.719 -4.944 2.013 231 HA ARG 31 HA ARG 31 -12.176 -4.602 3.004 232 1HB ARG 31 2HB ARG 31 -14.137 -4.434 4.443 233 2HB ARG 31 1HB ARG 31 -14.429 -6.168 4.294 234 1HG ARG 31 2HG ARG 31 -11.752 -5.947 5.117 235 2HG ARG 31 1HG ARG 31 -12.631 -4.767 6.090 236 1HD ARG 31 2HD ARG 31 -14.111 -7.263 5.848 237 2HD ARG 31 1HD ARG 31 -12.513 -7.521 6.548 238 HE ARG 31 HE ARG 31 -13.507 -5.323 7.923 239 1HH1 ARG 31 2HH1 ARG 31 -15.559 -7.767 6.932 240 2HH1 ARG 31 1HH1 ARG 31 -16.023 -8.274 8.522 241 1HH2 ARG 31 1HH2 ARG 31 -13.669 -6.297 10.126 242 2HH2 ARG 31 2HH2 ARG 31 -14.953 -7.441 10.330 243 H ASP 32 H ASP 32 -10.430 -5.921 3.540 244 HA ASP 32 HA ASP 32 -9.102 -7.861 3.610 245 1HB ASP 32 2HB ASP 32 -11.201 -8.771 4.792 246 2HB ASP 32 1HB ASP 32 -11.633 -9.468 3.230 247 H GLU 33 H GLU 33 -9.234 -6.547 1.216 248 HA GLU 33 HA GLU 33 -9.142 -8.811 -0.716 249 1HB GLU 33 2HB GLU 33 -11.287 -7.669 -1.086 250 2HB GLU 33 1HB GLU 33 -10.451 -6.122 -1.227 251 1HG GLU 33 2HG GLU 33 -9.086 -7.703 -3.033 252 2HG GLU 33 1HG GLU 33 -10.748 -8.270 -3.206 253 H LEU 34 H LEU 34 -6.964 -8.840 -1.122 254 HA LEU 34 HA LEU 34 -5.080 -6.847 -0.873 255 1HB LEU 34 2HB LEU 34 -4.594 -9.203 -1.537 256 2HB LEU 34 1HB LEU 34 -5.173 -8.833 -3.161 257 HG LEU 34 HG LEU 34 -3.438 -7.127 -3.424 258 1HD1 LEU 34 2HD1 LEU 34 -2.671 -7.931 -0.601 259 2HD1 LEU 34 1HD1 LEU 34 -1.695 -6.898 -1.646 260 3HD1 LEU 34 3HD1 LEU 34 -3.287 -6.360 -1.113 261 1HD2 LEU 34 1HD2 LEU 34 -2.879 -9.466 -4.001 262 2HD2 LEU 34 3HD2 LEU 34 -1.462 -8.610 -3.394 263 3HD2 LEU 34 2HD2 LEU 34 -2.325 -9.740 -2.349 264 H ILE 35 H ILE 35 -3.996 -5.524 -2.632 265 HA ILE 35 HA ILE 35 -5.943 -4.619 -4.704 266 HB ILE 35 HB ILE 35 -4.337 -2.858 -2.831 267 1HG1 ILE 35 2HG1 ILE 35 -7.327 -3.060 -3.306 268 2HG1 ILE 35 1HG1 ILE 35 -6.484 -3.831 -1.961 269 1HG2 ILE 35 1HG2 ILE 35 -4.490 -2.139 -5.298 270 2HG2 ILE 35 3HG2 ILE 35 -6.220 -1.948 -5.012 271 3HG2 ILE 35 2HG2 ILE 35 -5.063 -0.981 -4.096 272 1HD1 ILE 35 2HD1 ILE 35 -6.354 -0.858 -2.519 273 2HD1 ILE 35 1HD1 ILE 35 -7.513 -1.586 -1.406 274 3HD1 ILE 35 3HD1 ILE 35 -5.783 -1.702 -1.080 275 H VAL 36 H VAL 36 -2.557 -4.414 -3.571 276 HA VAL 36 HA VAL 36 -1.521 -5.181 -6.148 277 HB VAL 36 HB VAL 36 -2.131 -2.968 -6.871 278 1HG1 VAL 36 2HG1 VAL 36 -2.294 -2.147 -4.427 279 2HG1 VAL 36 1HG1 VAL 36 -0.573 -1.792 -4.567 280 3HG1 VAL 36 3HG1 VAL 36 -1.728 -0.989 -5.631 281 1HG2 VAL 36 3HG2 VAL 36 0.544 -3.868 -6.731 282 2HG2 VAL 36 2HG2 VAL 36 -0.125 -2.695 -7.864 283 3HG2 VAL 36 1HG2 VAL 36 0.595 -2.147 -6.350 284 H ASP 37 H ASP 37 0.685 -5.673 -5.983 285 HA ASP 37 HA ASP 37 1.820 -5.396 -3.246 286 1HB ASP 37 2HB ASP 37 2.188 -7.320 -5.505 287 2HB ASP 37 1HB ASP 37 3.559 -7.043 -4.429 288 H ILE 38 H ILE 38 4.258 -5.005 -3.194 289 HA ILE 38 HA ILE 38 5.221 -3.371 -5.482 290 HB ILE 38 HB ILE 38 4.103 -1.885 -3.742 291 1HG1 ILE 38 2HG1 ILE 38 6.855 -0.959 -3.584 292 2HG1 ILE 38 1HG1 ILE 38 6.486 -1.575 -5.195 293 1HG2 ILE 38 2HG2 ILE 38 6.460 -2.895 -2.124 294 2HG2 ILE 38 1HG2 ILE 38 5.508 -1.475 -1.694 295 3HG2 ILE 38 3HG2 ILE 38 4.750 -3.068 -1.727 296 1HD1 ILE 38 3HD1 ILE 38 4.242 -0.046 -4.306 297 2HD1 ILE 38 2HD1 ILE 38 5.696 0.916 -4.041 298 3HD1 ILE 38 1HD1 ILE 38 5.329 0.297 -5.651 299 H GLU 39 H GLU 39 7.567 -3.088 -5.442 300 HA GLU 39 HA GLU 39 8.935 -5.062 -3.655 301 1HB GLU 39 2HB GLU 39 8.782 -5.049 -6.480 302 2HB GLU 39 1HB GLU 39 10.419 -4.530 -6.075 303 1HG GLU 39 2HG GLU 39 10.986 -6.558 -5.204 304 2HG GLU 39 1HG GLU 39 9.398 -6.798 -4.476 305 H THR 40 H THR 40 10.364 -4.084 -2.313 306 HA THR 40 HA THR 40 11.345 -1.366 -3.037 307 HB THR 40 HB THR 40 11.842 -1.089 -0.677 308 HG1 THR 40 HG1 THR 40 12.018 -2.743 0.621 309 1HG2 THR 40 2HG2 THR 40 9.166 -2.188 -1.450 310 2HG2 THR 40 1HG2 THR 40 9.481 -1.841 0.250 311 3HG2 THR 40 3HG2 THR 40 9.603 -0.554 -0.949 312 H ASP 41 H ASP 41 13.587 -1.602 -1.137 313 HA ASP 41 HA ASP 41 15.716 -2.190 -2.776 314 1HB ASP 41 2HB ASP 41 16.045 -1.249 -0.552 315 2HB ASP 41 1HB ASP 41 15.506 -2.753 0.196 316 H LYS 42 H LYS 42 14.487 -4.561 -0.381 317 HA LYS 42 HA LYS 42 14.814 -6.706 -2.387 318 1HB LYS 42 2HB LYS 42 16.397 -6.523 0.182 319 2HB LYS 42 1HB LYS 42 16.122 -8.058 -0.642 320 1HG LYS 42 2HG LYS 42 16.952 -6.589 -2.743 321 2HG LYS 42 1HG LYS 42 17.814 -5.750 -1.454 322 1HD LYS 42 2HD LYS 42 19.049 -7.643 -0.864 323 2HD LYS 42 1HD LYS 42 17.870 -8.752 -1.564 324 1HE LYS 42 2HE LYS 42 18.876 -8.691 -3.582 325 2HE LYS 42 1HE LYS 42 18.964 -6.930 -3.560 326 1HZ LYS 42 2HZ LYS 42 20.787 -7.623 -1.707 327 2HZ LYS 42 1HZ LYS 42 20.959 -8.879 -2.838 328 3HZ LYS 42 3HZ LYS 42 21.146 -7.267 -3.330 329 H VAL 43 H VAL 43 12.751 -5.323 -0.510 330 HA VAL 43 HA VAL 43 11.695 -7.861 0.675 331 HB VAL 43 HB VAL 43 10.831 -5.153 1.644 332 1HG1 VAL 43 3HG1 VAL 43 10.627 -7.961 2.443 333 2HG1 VAL 43 2HG1 VAL 43 11.169 -6.920 3.760 334 3HG1 VAL 43 1HG1 VAL 43 9.646 -6.581 2.938 335 1HG2 VAL 43 1HG2 VAL 43 13.488 -6.470 2.050 336 2HG2 VAL 43 3HG2 VAL 43 13.089 -4.753 1.972 337 3HG2 VAL 43 2HG2 VAL 43 12.738 -5.674 3.435 338 H VAL 44 H VAL 44 9.189 -7.692 0.904 339 HA VAL 44 HA VAL 44 8.060 -6.297 -1.487 340 HB VAL 44 HB VAL 44 8.397 -8.796 -1.822 341 1HG1 VAL 44 2HG1 VAL 44 7.656 -9.167 0.669 342 2HG1 VAL 44 1HG1 VAL 44 6.027 -9.142 -0.006 343 3HG1 VAL 44 3HG1 VAL 44 7.189 -10.348 -0.555 344 1HG2 VAL 44 3HG2 VAL 44 6.332 -7.117 -2.579 345 2HG2 VAL 44 2HG2 VAL 44 6.616 -8.731 -3.228 346 3HG2 VAL 44 1HG2 VAL 44 5.474 -8.503 -1.904 347 H MET 45 H MET 45 6.353 -5.026 -0.944 348 HA MET 45 HA MET 45 5.005 -5.567 1.672 349 1HB MET 45 2HB MET 45 5.714 -3.026 0.230 350 2HB MET 45 1HB MET 45 4.337 -3.045 1.334 351 1HG MET 45 2HG MET 45 5.666 -3.148 3.164 352 2HG MET 45 1HG MET 45 6.717 -4.362 2.435 353 1HE MET 45 3HE MET 45 8.657 -3.361 3.635 354 2HE MET 45 2HE MET 45 9.116 -3.879 2.014 355 3HE MET 45 1HE MET 45 9.747 -2.366 2.659 356 H GLU 46 H GLU 46 2.913 -6.203 1.508 357 HA GLU 46 HA GLU 46 1.568 -6.069 -1.106 358 1HB GLU 46 2HB GLU 46 -0.225 -7.353 0.053 359 2HB GLU 46 1HB GLU 46 1.355 -8.118 0.217 360 1HG GLU 46 2HG GLU 46 1.023 -8.093 2.448 361 2HG GLU 46 1HG GLU 46 1.212 -6.340 2.374 362 H VAL 47 H VAL 47 -0.364 -4.900 -1.496 363 HA VAL 47 HA VAL 47 -0.956 -2.788 0.540 364 HB VAL 47 HB VAL 47 -1.290 -2.655 -2.472 365 1HG1 VAL 47 1HG1 VAL 47 -2.288 -1.051 -0.255 366 2HG1 VAL 47 3HG1 VAL 47 -1.297 -0.094 -1.355 367 3HG1 VAL 47 2HG1 VAL 47 -2.701 -0.968 -1.967 368 1HG2 VAL 47 2HG2 VAL 47 1.091 -2.642 -1.408 369 2HG2 VAL 47 1HG2 VAL 47 0.677 -1.359 -2.545 370 3HG2 VAL 47 3HG2 VAL 47 0.642 -1.045 -0.810 371 H LEU 48 H LEU 48 -2.751 -3.579 1.590 372 HA LEU 48 HA LEU 48 -4.957 -4.696 -0.081 373 1HB LEU 48 2HB LEU 48 -3.882 -5.836 2.077 374 2HB LEU 48 1HB LEU 48 -5.020 -4.775 2.909 375 HG LEU 48 HG LEU 48 -6.337 -6.013 0.668 376 1HD1 LEU 48 1HD1 LEU 48 -4.468 -7.712 2.167 377 2HD1 LEU 48 3HD1 LEU 48 -6.126 -8.314 2.185 378 3HD1 LEU 48 2HD1 LEU 48 -5.307 -8.032 0.649 379 1HD2 LEU 48 1HD2 LEU 48 -6.637 -6.211 3.681 380 2HD2 LEU 48 3HD2 LEU 48 -7.505 -5.117 2.603 381 3HD2 LEU 48 2HD2 LEU 48 -7.807 -6.853 2.529 382 H ALA 49 H ALA 49 -7.195 -4.039 0.612 383 HA ALA 49 HA ALA 49 -7.279 -1.122 0.971 384 1HB ALA 49 1HB ALA 49 -8.802 -2.810 -0.506 385 2HB ALA 49 3HB ALA 49 -9.802 -2.687 0.942 386 3HB ALA 49 2HB ALA 49 -9.369 -1.233 0.042 387 H GLU 50 H GLU 50 -8.862 -0.199 2.590 388 HA GLU 50 HA GLU 50 -8.648 -1.726 5.146 389 1HB GLU 50 2HB GLU 50 -8.159 1.011 4.446 390 2HB GLU 50 1HB GLU 50 -9.497 0.959 5.594 391 1HG GLU 50 2HG GLU 50 -7.457 -0.910 6.406 392 2HG GLU 50 1HG GLU 50 -6.739 0.683 6.164 393 H ALA 51 H ALA 51 -10.840 -1.287 2.766 394 HA ALA 51 HA ALA 51 -13.067 -2.299 4.056 395 1HB ALA 51 1HB ALA 51 -12.780 0.665 4.475 396 2HB ALA 51 3HB ALA 51 -14.387 -0.049 4.332 397 3HB ALA 51 2HB ALA 51 -13.301 -0.572 5.619 398 H ASP 52 H ASP 52 -15.154 -1.800 2.830 399 HA ASP 52 HA ASP 52 -14.808 -2.054 0.067 400 1HB ASP 52 2HB ASP 52 -16.958 -2.588 0.684 401 2HB ASP 52 1HB ASP 52 -17.087 -1.256 1.826 402 H GLY 53 H GLY 53 -15.650 -0.396 -1.590 403 1HA GLY 53 2HA GLY 53 -15.815 2.305 -1.462 404 2HA GLY 53 1HA GLY 53 -14.079 2.074 -1.215 405 H VAL 54 H VAL 54 -13.958 3.308 -3.308 406 HA VAL 54 HA VAL 54 -14.077 1.388 -5.586 407 HB VAL 54 HB VAL 54 -15.135 4.225 -5.535 408 1HG1 VAL 54 2HG1 VAL 54 -13.774 2.851 -7.659 409 2HG1 VAL 54 1HG1 VAL 54 -15.477 3.017 -8.087 410 3HG1 VAL 54 3HG1 VAL 54 -14.524 4.447 -7.688 411 1HG2 VAL 54 2HG2 VAL 54 -16.306 1.503 -6.169 412 2HG2 VAL 54 1HG2 VAL 54 -16.786 2.604 -4.879 413 3HG2 VAL 54 3HG2 VAL 54 -17.126 3.015 -6.560 414 H ILE 55 H ILE 55 -12.112 1.291 -6.559 415 HA ILE 55 HA ILE 55 -9.905 2.906 -5.750 416 HB ILE 55 HB ILE 55 -10.205 1.366 -8.344 417 1HG1 ILE 55 2HG1 ILE 55 -10.728 0.097 -6.183 418 2HG1 ILE 55 1HG1 ILE 55 -9.431 -0.570 -7.172 419 1HG2 ILE 55 1HG2 ILE 55 -7.896 2.519 -6.801 420 2HG2 ILE 55 3HG2 ILE 55 -7.655 1.098 -7.816 421 3HG2 ILE 55 2HG2 ILE 55 -8.226 2.605 -8.531 422 1HD1 ILE 55 1HD1 ILE 55 -8.420 1.432 -5.320 423 2HD1 ILE 55 3HD1 ILE 55 -9.261 0.136 -4.469 424 3HD1 ILE 55 2HD1 ILE 55 -7.911 -0.242 -5.538 425 H ALA 56 H ALA 56 -8.691 4.442 -7.133 426 HA ALA 56 HA ALA 56 -10.576 6.160 -8.667 427 1HB ALA 56 1HB ALA 56 -9.187 7.098 -6.748 428 2HB ALA 56 3HB ALA 56 -7.770 6.854 -7.770 429 3HB ALA 56 2HB ALA 56 -9.044 7.963 -8.277 430 H GLU 57 H GLU 57 -7.084 5.397 -8.930 431 HA GLU 57 HA GLU 57 -7.204 4.183 -11.486 432 1HB GLU 57 2HB GLU 57 -8.051 6.257 -12.375 433 2HB GLU 57 1HB GLU 57 -6.816 7.187 -11.526 434 1HG GLU 57 2HG GLU 57 -5.062 6.037 -12.859 435 2HG GLU 57 1HG GLU 57 -6.325 5.180 -13.746 436 H ILE 58 H ILE 58 -5.145 3.465 -12.064 437 HA ILE 58 HA ILE 58 -2.994 4.100 -10.135 438 HB ILE 58 HB ILE 58 -2.917 2.115 -12.422 439 1HG1 ILE 58 2HG1 ILE 58 -4.823 1.485 -11.109 440 2HG1 ILE 58 1HG1 ILE 58 -3.495 0.449 -10.572 441 1HG2 ILE 58 3HG2 ILE 58 -1.362 2.463 -9.845 442 2HG2 ILE 58 2HG2 ILE 58 -1.269 1.015 -10.846 443 3HG2 ILE 58 1HG2 ILE 58 -0.740 2.568 -11.491 444 1HD1 ILE 58 2HD1 ILE 58 -3.054 2.132 -8.734 445 2HD1 ILE 58 1HD1 ILE 58 -4.555 2.933 -9.199 446 3HD1 ILE 58 3HD1 ILE 58 -4.590 1.277 -8.593 447 H VAL 59 H VAL 59 -0.820 4.644 -10.938 448 HA VAL 59 HA VAL 59 -0.985 6.500 -13.231 449 HB VAL 59 HB VAL 59 1.153 5.951 -11.157 450 1HG1 VAL 59 1HG1 VAL 59 1.350 7.187 -13.795 451 2HG1 VAL 59 3HG1 VAL 59 1.802 8.303 -12.506 452 3HG1 VAL 59 2HG1 VAL 59 2.632 6.755 -12.665 453 1HG2 VAL 59 3HG2 VAL 59 -1.138 7.463 -11.017 454 2HG2 VAL 59 2HG2 VAL 59 0.317 7.766 -10.066 455 3HG2 VAL 59 1HG2 VAL 59 0.042 8.654 -11.565 456 H LYS 60 H LYS 60 1.510 4.139 -12.212 457 HA LYS 60 HA LYS 60 1.999 3.583 -15.097 458 1HB LYS 60 2HB LYS 60 3.691 3.834 -12.781 459 2HB LYS 60 1HB LYS 60 3.882 2.221 -13.469 460 1HG LYS 60 2HG LYS 60 3.818 4.517 -15.370 461 2HG LYS 60 1HG LYS 60 5.272 4.317 -14.391 462 1HD LYS 60 2HD LYS 60 5.896 2.868 -16.032 463 2HD LYS 60 1HD LYS 60 4.827 1.743 -15.193 464 1HE LYS 60 2HE LYS 60 3.885 1.595 -17.286 465 2HE LYS 60 1HE LYS 60 2.994 3.001 -16.703 466 1HZ LYS 60 3HZ LYS 60 5.561 3.639 -17.835 467 2HZ LYS 60 2HZ LYS 60 4.493 2.928 -18.948 468 3HZ LYS 60 1HZ LYS 60 4.046 4.343 -18.121 469 H ASN 61 H ASN 61 2.724 1.154 -15.418 470 HA ASN 61 HA ASN 61 0.516 -0.494 -14.314 471 1HB ASN 61 2HB ASN 61 2.462 -0.963 -16.592 472 2HB ASN 61 1HB ASN 61 1.238 -2.128 -16.083 473 1HD2 ASN 61 2HD2 ASN 61 -0.048 1.389 -17.813 474 2HD2 ASN 61 1HD2 ASN 61 1.427 1.378 -16.956 475 H GLU 62 H GLU 62 0.986 -2.626 -13.435 476 HA GLU 62 HA GLU 62 3.137 -2.670 -11.572 477 1HB GLU 62 2HB GLU 62 2.594 -5.207 -11.531 478 2HB GLU 62 1HB GLU 62 1.316 -4.085 -11.060 479 1HG GLU 62 2HG GLU 62 0.007 -4.840 -12.724 480 2HG GLU 62 1HG GLU 62 1.246 -4.417 -13.910 481 H GLY 63 H GLY 63 5.116 -3.863 -11.601 482 1HA GLY 63 2HA GLY 63 6.820 -5.202 -12.640 483 2HA GLY 63 1HA GLY 63 5.924 -5.114 -14.161 484 H ASP 64 H ASP 64 5.706 -2.063 -13.345 485 HA ASP 64 HA ASP 64 8.083 -1.306 -14.911 486 1HB ASP 64 2HB ASP 64 6.327 -0.032 -15.669 487 2HB ASP 64 1HB ASP 64 5.526 0.011 -14.099 488 H THR 65 H THR 65 9.264 0.730 -14.096 489 HA THR 65 HA THR 65 10.003 0.242 -11.250 490 HB THR 65 HB THR 65 11.457 1.762 -13.437 491 HG1 THR 65 HG1 THR 65 12.577 -0.035 -13.698 492 1HG2 THR 65 2HG2 THR 65 11.762 2.442 -10.948 493 2HG2 THR 65 1HG2 THR 65 12.604 0.900 -10.791 494 3HG2 THR 65 3HG2 THR 65 13.205 2.124 -11.910 495 H VAL 66 H VAL 66 9.677 1.813 -9.712 496 HA VAL 66 HA VAL 66 8.594 4.431 -10.677 497 HB VAL 66 HB VAL 66 7.170 4.505 -8.741 498 1HG1 VAL 66 1HG1 VAL 66 7.206 1.760 -10.025 499 2HG1 VAL 66 3HG1 VAL 66 5.900 2.330 -8.986 500 3HG1 VAL 66 2HG1 VAL 66 6.239 3.153 -10.508 501 1HG2 VAL 66 2HG2 VAL 66 9.177 2.775 -7.655 502 2HG2 VAL 66 1HG2 VAL 66 7.837 3.550 -6.812 503 3HG2 VAL 66 3HG2 VAL 66 7.621 1.954 -7.529 504 H LEU 67 H LEU 67 8.757 6.013 -8.558 505 HA LEU 67 HA LEU 67 11.597 5.806 -7.635 506 1HB LEU 67 2HB LEU 67 10.126 8.414 -8.035 507 2HB LEU 67 1HB LEU 67 11.865 8.146 -7.901 508 HG LEU 67 HG LEU 67 10.078 7.290 -10.196 509 1HD1 LEU 67 2HD1 LEU 67 11.523 9.683 -9.640 510 2HD1 LEU 67 1HD1 LEU 67 12.376 8.837 -10.932 511 3HD1 LEU 67 3HD1 LEU 67 10.672 9.251 -11.124 512 1HD2 LEU 67 2HD2 LEU 67 12.797 6.466 -9.329 513 2HD2 LEU 67 1HD2 LEU 67 11.617 5.595 -10.307 514 3HD2 LEU 67 3HD2 LEU 67 12.618 6.846 -11.042 515 H SER 68 H SER 68 11.986 6.948 -5.537 516 HA SER 68 HA SER 68 10.071 6.164 -3.556 517 1HB SER 68 2HB SER 68 12.256 6.327 -2.731 518 2HB SER 68 1HB SER 68 12.553 7.861 -3.544 519 HG SER 68 HG SER 68 12.035 8.687 -1.683 520 H GLY 69 H GLY 69 8.201 7.176 -3.026 521 1HA GLY 69 2HA GLY 69 6.878 9.063 -2.361 522 2HA GLY 69 1HA GLY 69 8.080 10.131 -3.087 523 H GLU 70 H GLU 70 7.345 7.546 -5.137 524 HA GLU 70 HA GLU 70 5.902 9.355 -6.952 525 1HB GLU 70 2HB GLU 70 7.712 7.649 -7.632 526 2HB GLU 70 1HB GLU 70 6.460 6.424 -7.426 527 1HG GLU 70 2HG GLU 70 5.940 6.889 -9.587 528 2HG GLU 70 1HG GLU 70 5.143 8.314 -8.918 529 H LEU 71 H LEU 71 3.739 9.584 -6.637 530 HA LEU 71 HA LEU 71 2.147 7.608 -5.237 531 1HB LEU 71 2HB LEU 71 1.698 10.111 -5.322 532 2HB LEU 71 1HB LEU 71 1.119 9.867 -6.970 533 HG LEU 71 HG LEU 71 -0.194 7.881 -5.562 534 1HD1 LEU 71 1HD1 LEU 71 0.620 9.962 -3.712 535 2HD1 LEU 71 3HD1 LEU 71 -1.139 9.885 -3.829 536 3HD1 LEU 71 2HD1 LEU 71 -0.220 8.448 -3.381 537 1HD2 LEU 71 3HD2 LEU 71 -0.815 10.040 -7.174 538 2HD2 LEU 71 2HD2 LEU 71 -1.991 8.917 -6.489 539 3HD2 LEU 71 1HD2 LEU 71 -1.642 10.438 -5.667 540 H LEU 72 H LEU 72 1.182 5.836 -6.107 541 HA LEU 72 HA LEU 72 1.257 5.505 -9.052 542 1HB LEU 72 2HB LEU 72 0.550 3.549 -6.842 543 2HB LEU 72 1HB LEU 72 0.669 3.148 -8.555 544 HG LEU 72 HG LEU 72 2.948 4.360 -6.973 545 1HD1 LEU 72 2HD1 LEU 72 2.337 2.133 -6.069 546 2HD1 LEU 72 1HD1 LEU 72 2.454 1.454 -7.692 547 3HD1 LEU 72 3HD1 LEU 72 3.893 2.090 -6.897 548 1HD2 LEU 72 2HD2 LEU 72 2.779 4.522 -9.550 549 2HD2 LEU 72 1HD2 LEU 72 4.272 3.867 -8.878 550 3HD2 LEU 72 3HD2 LEU 72 3.054 2.780 -9.546 551 H GLY 73 H GLY 73 -1.159 4.609 -6.562 552 1HA GLY 73 2HA GLY 73 -3.242 5.889 -8.271 553 2HA GLY 73 1HA GLY 73 -3.463 4.221 -7.730 554 H LYS 74 H LYS 74 -5.440 5.728 -6.894 555 HA LYS 74 HA LYS 74 -4.890 6.078 -4.002 556 1HB LYS 74 2HB LYS 74 -6.460 8.198 -5.461 557 2HB LYS 74 1HB LYS 74 -5.696 8.286 -3.873 558 1HG LYS 74 2HG LYS 74 -3.484 8.283 -4.876 559 2HG LYS 74 1HG LYS 74 -4.173 8.024 -6.479 560 1HD LYS 74 2HD LYS 74 -5.130 10.383 -4.912 561 2HD LYS 74 1HD LYS 74 -3.524 10.468 -5.638 562 1HE LYS 74 2HE LYS 74 -4.618 11.123 -7.515 563 2HE LYS 74 1HE LYS 74 -5.023 9.415 -7.691 564 1HZ LYS 74 1HZ LYS 74 -6.845 10.416 -5.897 565 2HZ LYS 74 3HZ LYS 74 -6.723 11.615 -7.091 566 3HZ LYS 74 2HZ LYS 74 -7.134 10.025 -7.526 567 H LEU 75 H LEU 75 -6.813 5.869 -2.713 568 HA LEU 75 HA LEU 75 -9.016 4.492 -4.162 569 1HB LEU 75 2HB LEU 75 -7.816 3.458 -2.138 570 2HB LEU 75 1HB LEU 75 -8.661 4.663 -1.165 571 HG LEU 75 HG LEU 75 -10.809 3.830 -2.321 572 1HD1 LEU 75 2HD1 LEU 75 -9.304 2.522 -4.013 573 2HD1 LEU 75 1HD1 LEU 75 -9.223 1.305 -2.739 574 3HD1 LEU 75 3HD1 LEU 75 -10.782 1.760 -3.426 575 1HD2 LEU 75 1HD2 LEU 75 -9.188 2.188 -0.365 576 2HD2 LEU 75 3HD2 LEU 75 -10.496 3.318 -0.014 577 3HD2 LEU 75 2HD2 LEU 75 -10.850 1.771 -0.783 578 H THR 76 H THR 76 -11.226 5.104 -3.751 579 HA THR 76 HA THR 76 -11.491 7.949 -2.886 580 HB THR 76 HB THR 76 -12.207 7.129 -5.243 581 HG1 THR 76 HG1 THR 76 -14.317 8.396 -4.774 582 1HG2 THR 76 3HG2 THR 76 -13.579 5.237 -3.903 583 2HG2 THR 76 2HG2 THR 76 -14.830 6.475 -4.023 584 3HG2 THR 76 1HG2 THR 76 -14.077 5.837 -5.486 585 H GLU 77 H GLU 77 -14.296 7.821 -2.592 586 HA GLU 77 HA GLU 77 -14.427 6.709 0.128 587 1HB GLU 77 2HB GLU 77 -16.231 8.435 -1.556 588 2HB GLU 77 1HB GLU 77 -16.842 7.682 -0.082 589 1HG GLU 77 2HG GLU 77 -15.834 9.252 1.172 590 2HG GLU 77 1HG GLU 77 -14.271 8.836 0.466 591 H GLY 78 H GLY 78 -17.055 6.611 -2.252 592 1HA GLY 78 2HA GLY 78 -18.285 4.784 -3.086 593 2HA GLY 78 1HA GLY 78 -16.948 3.738 -2.606 594 H GLY 79 HN GLY 79 -20.140 4.381 -1.988 595 1HA GLY 79 2HA GLY 79 -20.907 2.617 -0.204 596 2HA GLY 79 1HA GLY 79 -19.954 3.625 0.887 No H/Q in entry = 596 Start of MODEL 14 1 1H ALA 1 3H ALA 1 -10.933 7.588 1.332 2 2H ALA 1 2H ALA 1 -11.437 9.082 1.967 3 3H ALA 1 1H ALA 1 -12.146 8.477 0.547 4 HA ALA 1 HA ALA 1 -10.308 8.928 -0.751 5 1HB ALA 1 3HB ALA 1 -10.755 11.013 1.370 6 2HB ALA 1 2HB ALA 1 -9.515 11.261 0.141 7 3HB ALA 1 1HB ALA 1 -11.199 11.054 -0.337 8 H ILE 2 H ILE 2 -8.837 7.141 -0.131 9 HA ILE 2 HA ILE 2 -6.619 8.072 1.649 10 HB ILE 2 HB ILE 2 -7.263 5.210 0.888 11 1HG1 ILE 2 2HG1 ILE 2 -9.122 6.311 2.168 12 2HG1 ILE 2 1HG1 ILE 2 -8.346 5.002 3.059 13 1HG2 ILE 2 1HG2 ILE 2 -4.938 5.737 1.636 14 2HG2 ILE 2 3HG2 ILE 2 -5.599 6.386 3.137 15 3HG2 ILE 2 2HG2 ILE 2 -5.789 4.674 2.759 16 1HD1 ILE 2 2HD1 ILE 2 -7.270 7.775 3.392 17 2HD1 ILE 2 1HD1 ILE 2 -8.777 7.358 4.208 18 3HD1 ILE 2 3HD1 ILE 2 -7.307 6.442 4.546 19 H ASP 3 H ASP 3 -5.174 8.988 0.218 20 HA ASP 3 HA ASP 3 -4.733 7.959 -2.453 21 1HB ASP 3 2HB ASP 3 -4.308 10.348 -1.618 22 2HB ASP 3 1HB ASP 3 -2.825 9.714 -0.895 23 H ILE 4 H ILE 4 -3.075 6.611 -3.182 24 HA ILE 4 HA ILE 4 -1.480 5.277 -1.032 25 HB ILE 4 HB ILE 4 -1.910 4.069 -3.748 26 1HG1 ILE 4 2HG1 ILE 4 -4.149 4.796 -2.945 27 2HG1 ILE 4 1HG1 ILE 4 -3.995 3.038 -2.955 28 1HG2 ILE 4 1HG2 ILE 4 -0.876 3.292 -1.149 29 2HG2 ILE 4 3HG2 ILE 4 -2.160 2.200 -1.668 30 3HG2 ILE 4 2HG2 ILE 4 -0.747 2.451 -2.693 31 1HD1 ILE 4 2HD1 ILE 4 -3.332 3.184 -0.513 32 2HD1 ILE 4 1HD1 ILE 4 -3.787 4.886 -0.565 33 3HD1 ILE 4 3HD1 ILE 4 -5.002 3.640 -0.854 34 H LYS 5 H LYS 5 0.474 6.344 -1.049 35 HA LYS 5 HA LYS 5 1.745 6.870 -3.696 36 1HB LYS 5 2HB LYS 5 3.346 8.265 -2.270 37 2HB LYS 5 1HB LYS 5 1.687 8.858 -2.368 38 1HG LYS 5 2HG LYS 5 2.337 6.946 -0.169 39 2HG LYS 5 1HG LYS 5 2.941 8.598 -0.021 40 1HD LYS 5 2HD LYS 5 0.218 8.682 -0.932 41 2HD LYS 5 1HD LYS 5 0.311 7.663 0.506 42 1HE LYS 5 2HE LYS 5 1.858 9.641 1.382 43 2HE LYS 5 1HE LYS 5 0.937 10.572 0.200 44 1HZ LYS 5 1HZ LYS 5 -0.333 8.833 2.237 45 2HZ LYS 5 3HZ LYS 5 -0.034 10.484 2.487 46 3HZ LYS 5 2HZ LYS 5 -1.082 9.992 1.245 47 H ALA 6 H ALA 6 4.169 6.480 -3.732 48 HA ALA 6 HA ALA 6 4.713 3.760 -2.888 49 1HB ALA 6 1HB ALA 6 5.644 4.987 -4.956 50 2HB ALA 6 3HB ALA 6 6.784 5.741 -3.843 51 3HB ALA 6 2HB ALA 6 6.775 3.989 -4.043 52 HA PRO 7 HA PRO 7 6.612 4.539 0.990 53 1HB PRO 7 2HB PRO 7 8.425 2.474 1.047 54 2HB PRO 7 1HB PRO 7 6.682 2.253 1.277 55 1HG PRO 7 2HG PRO 7 8.360 1.601 -1.102 56 2HG PRO 7 1HG PRO 7 6.837 0.871 -0.570 57 1HD PRO 7 2HD PRO 7 7.128 2.767 -2.653 58 2HD PRO 7 1HD PRO 7 5.597 2.278 -1.889 59 H THR 8 H THR 8 8.768 5.029 2.018 60 HA THR 8 HA THR 8 10.494 6.468 0.098 61 HB THR 8 HB THR 8 11.053 6.398 3.038 62 HG1 THR 8 HG1 THR 8 9.247 7.344 3.525 63 1HG2 THR 8 3HG2 THR 8 12.204 7.743 1.050 64 2HG2 THR 8 2HG2 THR 8 10.868 8.854 1.349 65 3HG2 THR 8 1HG2 THR 8 11.999 8.466 2.645 66 H PHE 9 H PHE 9 12.019 5.185 -0.853 67 HA PHE 9 HA PHE 9 13.037 2.755 0.232 68 1HB PHE 9 2HB PHE 9 14.493 4.584 -1.697 69 2HB PHE 9 1HB PHE 9 14.676 2.834 -1.532 70 HD1 PHE 9 HD1 PHE 9 12.206 1.597 -1.581 71 HD2 PHE 9 HD2 PHE 9 13.285 5.253 -3.565 72 HE1 PHE 9 HE1 PHE 9 10.374 1.250 -3.217 73 HE2 PHE 9 HE2 PHE 9 11.453 4.906 -5.202 74 HZ PHE 9 HZ PHE 9 9.997 2.904 -5.028 75 HA PRO 10 HA PRO 10 15.962 4.231 3.163 76 1HB PRO 10 2HB PRO 10 17.530 1.977 3.299 77 2HB PRO 10 1HB PRO 10 15.928 2.101 4.048 78 1HG PRO 10 2HG PRO 10 16.737 0.630 1.584 79 2HG PRO 10 1HG PRO 10 15.396 0.307 2.694 80 1HD PRO 10 2HD PRO 10 15.190 1.567 0.167 81 2HD PRO 10 1HD PRO 10 13.932 1.531 1.424 82 H GLU 11 H GLU 11 18.683 3.489 3.258 83 HA GLU 11 HA GLU 11 19.774 5.186 1.150 84 1HB GLU 11 2HB GLU 11 20.648 4.137 3.701 85 2HB GLU 11 1HB GLU 11 21.890 3.874 2.476 86 1HG GLU 11 2HG GLU 11 21.151 6.417 1.871 87 2HG GLU 11 1HG GLU 11 20.863 6.413 3.611 88 H SER 12 H SER 12 20.468 1.803 2.124 89 HA SER 12 HA SER 12 22.068 0.996 0.036 90 1HB SER 12 2HB SER 12 20.913 -0.352 2.018 91 2HB SER 12 1HB SER 12 19.794 -0.818 0.735 92 HG SER 12 HG SER 12 22.600 -0.956 0.412 93 H ILE 13 H ILE 13 18.487 0.825 -0.045 94 HA ILE 13 HA ILE 13 18.628 0.571 -2.997 95 HB ILE 13 HB ILE 13 16.125 0.565 -1.303 96 1HG1 ILE 13 2HG1 ILE 13 17.544 -1.103 -0.297 97 2HG1 ILE 13 1HG1 ILE 13 16.409 -1.958 -1.341 98 1HG2 ILE 13 1HG2 ILE 13 16.910 -0.518 -4.019 99 2HG2 ILE 13 3HG2 ILE 13 15.422 -0.990 -3.196 100 3HG2 ILE 13 2HG2 ILE 13 15.681 0.693 -3.655 101 1HD1 ILE 13 1HD1 ILE 13 19.182 -1.121 -2.226 102 2HD1 ILE 13 3HD1 ILE 13 18.808 -2.717 -1.572 103 3HD1 ILE 13 2HD1 ILE 13 18.064 -2.184 -3.080 104 H ALA 14 H ALA 14 17.994 2.216 -4.361 105 HA ALA 14 HA ALA 14 16.910 4.689 -3.070 106 1HB ALA 14 1HB ALA 14 18.910 4.424 -5.333 107 2HB ALA 14 3HB ALA 14 18.142 5.944 -4.876 108 3HB ALA 14 2HB ALA 14 19.200 5.113 -3.736 109 H ASP 15 H ASP 15 15.829 2.242 -4.732 110 HA ASP 15 HA ASP 15 13.876 3.858 -6.214 111 1HB ASP 15 2HB ASP 15 14.356 2.263 -8.270 112 2HB ASP 15 1HB ASP 15 15.297 3.740 -8.053 113 H GLY 16 H GLY 16 12.570 1.937 -7.620 114 1HA GLY 16 2HA GLY 16 12.336 -0.560 -6.142 115 2HA GLY 16 1HA GLY 16 11.008 0.551 -5.803 116 H THR 17 H THR 17 10.108 -1.638 -6.928 117 HA THR 17 HA THR 17 9.391 -0.785 -9.664 118 HB THR 17 HB THR 17 10.739 -3.420 -9.021 119 HG1 THR 17 HG1 THR 17 12.093 -1.704 -9.589 120 1HG2 THR 17 3HG2 THR 17 8.595 -2.924 -10.840 121 2HG2 THR 17 2HG2 THR 17 10.062 -3.182 -11.782 122 3HG2 THR 17 1HG2 THR 17 9.526 -4.407 -10.631 123 H VAL 18 H VAL 18 7.202 -0.904 -9.689 124 HA VAL 18 HA VAL 18 5.527 -1.973 -7.763 125 HB VAL 18 HB VAL 18 4.977 -2.014 -10.746 126 1HG1 VAL 18 2HG1 VAL 18 3.145 -1.906 -8.329 127 2HG1 VAL 18 1HG1 VAL 18 2.618 -1.764 -10.007 128 3HG1 VAL 18 3HG1 VAL 18 3.331 -3.271 -9.431 129 1HG2 VAL 18 3HG2 VAL 18 5.452 0.162 -8.911 130 2HG2 VAL 18 2HG2 VAL 18 5.087 0.235 -10.635 131 3HG2 VAL 18 1HG2 VAL 18 3.775 0.205 -9.456 132 H ALA 19 H ALA 19 4.161 -3.978 -7.836 133 HA ALA 19 HA ALA 19 5.819 -6.286 -8.748 134 1HB ALA 19 3HB ALA 19 5.306 -6.151 -6.311 135 2HB ALA 19 2HB ALA 19 3.587 -6.225 -6.694 136 3HB ALA 19 1HB ALA 19 4.632 -7.599 -7.059 137 H THR 20 H THR 20 2.328 -6.002 -8.064 138 HA THR 20 HA THR 20 1.635 -6.417 -10.876 139 HB THR 20 HB THR 20 1.310 -8.630 -8.835 140 HG1 THR 20 HG1 THR 20 2.717 -9.614 -10.057 141 1HG2 THR 20 3HG2 THR 20 -0.822 -8.267 -10.031 142 2HG2 THR 20 2HG2 THR 20 0.031 -8.374 -11.572 143 3HG2 THR 20 1HG2 THR 20 -0.064 -9.783 -10.516 144 H TRP 21 H TRP 21 -0.430 -5.647 -11.239 145 HA TRP 21 HA TRP 21 -1.895 -4.607 -8.909 146 1HB TRP 21 2HB TRP 21 -1.895 -4.164 -11.859 147 2HB TRP 21 1HB TRP 21 -3.394 -3.856 -10.989 148 HD1 TRP 21 HD1 TRP 21 0.046 -2.472 -11.583 149 HE1 TRP 21 HE1 TRP 21 0.317 -0.249 -10.295 150 HE3 TRP 21 HE3 TRP 21 -4.180 -2.575 -8.714 151 HZ2 TRP 21 HZ2 TRP 21 -1.048 1.266 -8.340 152 HZ3 TRP 21 HZ3 TRP 21 -4.671 -0.719 -7.139 153 HH2 TRP 21 HH2 TRP 21 -3.110 1.203 -6.948 154 H HIS 22 H HIS 22 -2.598 -6.702 -8.085 155 HA HIS 22 HA HIS 22 -3.911 -8.764 -9.393 156 1HB HIS 22 2HB HIS 22 -5.251 -7.728 -6.918 157 2HB HIS 22 1HB HIS 22 -4.848 -9.391 -7.360 158 HD1 HIS 22 HD1 HIS 22 -3.292 -6.221 -6.047 159 HD2 HIS 22 HD2 HIS 22 -2.268 -10.225 -6.571 160 HE1 HIS 22 HE1 HIS 22 -1.039 -6.526 -4.968 161 H LYS 23 H LYS 23 -5.585 -5.853 -8.136 162 HA LYS 23 HA LYS 23 -7.765 -6.426 -10.098 163 1HB LYS 23 2HB LYS 23 -7.826 -4.738 -7.577 164 2HB LYS 23 1HB LYS 23 -9.197 -5.039 -8.645 165 1HG LYS 23 2HG LYS 23 -8.186 -7.585 -8.087 166 2HG LYS 23 1HG LYS 23 -8.095 -6.730 -6.547 167 1HD LYS 23 2HD LYS 23 -10.288 -7.305 -6.352 168 2HD LYS 23 1HD LYS 23 -10.557 -5.945 -7.443 169 1HE LYS 23 2HE LYS 23 -9.855 -8.072 -9.126 170 2HE LYS 23 1HE LYS 23 -10.932 -8.788 -7.927 171 1HZ LYS 23 2HZ LYS 23 -12.054 -6.362 -8.583 172 2HZ LYS 23 1HZ LYS 23 -11.550 -7.026 -10.064 173 3HZ LYS 23 3HZ LYS 23 -12.600 -7.898 -9.057 174 H LYS 24 H LYS 24 -8.707 -4.531 -11.187 175 HA LYS 24 HA LYS 24 -6.610 -2.515 -11.796 176 1HB LYS 24 2HB LYS 24 -8.886 -3.714 -13.254 177 2HB LYS 24 1HB LYS 24 -8.656 -1.987 -13.530 178 1HG LYS 24 2HG LYS 24 -6.161 -2.574 -13.880 179 2HG LYS 24 1HG LYS 24 -6.716 -4.240 -14.040 180 1HD LYS 24 2HD LYS 24 -8.481 -2.815 -15.646 181 2HD LYS 24 1HD LYS 24 -6.930 -2.025 -15.936 182 1HE LYS 24 2HE LYS 24 -6.081 -3.829 -17.019 183 2HE LYS 24 1HE LYS 24 -6.770 -4.963 -15.856 184 1HZ LYS 24 2HZ LYS 24 -8.919 -3.892 -17.187 185 2HZ LYS 24 1HZ LYS 24 -7.763 -4.172 -18.400 186 3HZ LYS 24 3HZ LYS 24 -8.266 -5.446 -17.400 187 HA PRO 25 HA PRO 25 -8.778 0.782 -9.880 188 1HB PRO 25 2HB PRO 25 -8.407 2.816 -11.693 189 2HB PRO 25 1HB PRO 25 -7.125 2.200 -10.635 190 1HG PRO 25 2HG PRO 25 -7.530 1.744 -13.557 191 2HG PRO 25 1HG PRO 25 -6.028 1.738 -12.619 192 1HD PRO 25 2HD PRO 25 -7.420 -0.554 -13.498 193 2HD PRO 25 1HD PRO 25 -6.149 -0.525 -12.257 194 H GLY 26 H GLY 26 -11.003 0.298 -9.880 195 1HA GLY 26 2HA GLY 26 -13.026 1.648 -10.807 196 2HA GLY 26 1HA GLY 26 -12.540 0.947 -12.354 197 H GLU 27 H GLU 27 -11.749 -1.393 -10.244 198 HA GLU 27 HA GLU 27 -14.254 -2.864 -10.783 199 1HB GLU 27 2HB GLU 27 -11.519 -3.652 -9.777 200 2HB GLU 27 1HB GLU 27 -12.883 -4.769 -9.700 201 1HG GLU 27 2HG GLU 27 -11.459 -4.973 -11.788 202 2HG GLU 27 1HG GLU 27 -13.176 -4.701 -12.086 203 H ALA 28 H ALA 28 -14.545 -4.549 -8.696 204 HA ALA 28 HA ALA 28 -15.274 -2.698 -6.489 205 1HB ALA 28 1HB ALA 28 -16.639 -4.795 -7.709 206 2HB ALA 28 3HB ALA 28 -16.093 -5.487 -6.181 207 3HB ALA 28 2HB ALA 28 -17.079 -4.026 -6.184 208 H VAL 29 H VAL 29 -14.639 -3.148 -4.315 209 HA VAL 29 HA VAL 29 -12.550 -5.251 -3.984 210 HB VAL 29 HB VAL 29 -11.353 -3.520 -2.489 211 1HG1 VAL 29 1HG1 VAL 29 -11.498 -3.189 -5.500 212 2HG1 VAL 29 3HG1 VAL 29 -10.231 -2.497 -4.487 213 3HG1 VAL 29 2HG1 VAL 29 -10.407 -4.248 -4.607 214 1HG2 VAL 29 3HG2 VAL 29 -13.341 -1.942 -2.553 215 2HG2 VAL 29 2HG2 VAL 29 -11.794 -1.194 -2.950 216 3HG2 VAL 29 1HG2 VAL 29 -12.929 -1.608 -4.234 217 H LYS 30 H LYS 30 -12.204 -5.794 -1.660 218 HA LYS 30 HA LYS 30 -14.573 -5.100 0.027 219 1HB LYS 30 2HB LYS 30 -14.569 -7.459 -1.052 220 2HB LYS 30 1HB LYS 30 -13.272 -7.821 0.089 221 1HG LYS 30 2HG LYS 30 -15.126 -6.589 1.707 222 2HG LYS 30 1HG LYS 30 -16.153 -7.475 0.578 223 1HD LYS 30 2HD LYS 30 -15.002 -9.555 1.079 224 2HD LYS 30 1HD LYS 30 -13.833 -8.705 2.091 225 1HE LYS 30 2HE LYS 30 -16.064 -7.878 3.312 226 2HE LYS 30 1HE LYS 30 -16.680 -9.395 2.657 227 1HZ LYS 30 3HZ LYS 30 -14.086 -9.359 4.040 228 2HZ LYS 30 2HZ LYS 30 -15.518 -9.362 4.955 229 3HZ LYS 30 1HZ LYS 30 -15.196 -10.630 3.871 230 H ARG 31 H ARG 31 -14.058 -4.546 2.115 231 HA ARG 31 HA ARG 31 -11.560 -3.729 2.932 232 1HB ARG 31 2HB ARG 31 -13.563 -3.298 4.267 233 2HB ARG 31 1HB ARG 31 -13.691 -5.011 4.667 234 1HG ARG 31 2HG ARG 31 -12.017 -4.910 6.213 235 2HG ARG 31 1HG ARG 31 -11.071 -3.767 5.259 236 1HD ARG 31 2HD ARG 31 -12.368 -1.913 6.002 237 2HD ARG 31 1HD ARG 31 -13.629 -2.961 6.651 238 HE ARG 31 HE ARG 31 -10.947 -3.213 7.872 239 1HH1 ARG 31 1HH2 ARG 31 -12.832 -4.299 9.591 240 2HH1 ARG 31 2HH2 ARG 31 -13.414 -2.995 10.571 241 1HH2 ARG 31 2HH1 ARG 31 -12.271 -0.521 8.428 242 2HH2 ARG 31 1HH1 ARG 31 -13.096 -0.856 9.913 243 H ASP 32 H ASP 32 -9.720 -4.692 3.795 244 HA ASP 32 HA ASP 32 -8.257 -6.415 4.447 245 1HB ASP 32 2HB ASP 32 -10.390 -7.092 5.798 246 2HB ASP 32 1HB ASP 32 -10.578 -8.327 4.554 247 H GLU 33 H GLU 33 -8.533 -5.873 1.747 248 HA GLU 33 HA GLU 33 -8.124 -8.585 0.591 249 1HB GLU 33 2HB GLU 33 -10.437 -7.840 0.027 250 2HB GLU 33 1HB GLU 33 -9.758 -6.405 -0.743 251 1HG GLU 33 2HG GLU 33 -8.653 -7.703 -2.414 252 2HG GLU 33 1HG GLU 33 -8.939 -9.206 -1.536 253 H LEU 34 H LEU 34 -6.140 -8.598 -0.344 254 HA LEU 34 HA LEU 34 -4.349 -6.518 -0.542 255 1HB LEU 34 2HB LEU 34 -3.811 -8.893 -1.051 256 2HB LEU 34 1HB LEU 34 -4.649 -8.729 -2.595 257 HG LEU 34 HG LEU 34 -3.086 -6.963 -3.279 258 1HD1 LEU 34 1HD1 LEU 34 -1.811 -7.485 -0.576 259 2HD1 LEU 34 3HD1 LEU 34 -1.113 -6.476 -1.841 260 3HD1 LEU 34 2HD1 LEU 34 -2.627 -6.004 -1.072 261 1HD2 LEU 34 3HD2 LEU 34 -1.784 -9.491 -2.222 262 2HD2 LEU 34 2HD2 LEU 34 -2.439 -9.232 -3.839 263 3HD2 LEU 34 1HD2 LEU 34 -0.992 -8.365 -3.325 264 H ILE 35 H ILE 35 -3.583 -5.317 -2.530 265 HA ILE 35 HA ILE 35 -5.716 -4.802 -4.526 266 HB ILE 35 HB ILE 35 -4.420 -2.593 -2.899 267 1HG1 ILE 35 2HG1 ILE 35 -6.119 -4.018 -1.672 268 2HG1 ILE 35 1HG1 ILE 35 -6.565 -2.318 -1.826 269 1HG2 ILE 35 1HG2 ILE 35 -6.008 -2.699 -5.376 270 2HG2 ILE 35 3HG2 ILE 35 -6.643 -1.579 -4.171 271 3HG2 ILE 35 2HG2 ILE 35 -4.986 -1.405 -4.750 272 1HD1 ILE 35 1HD1 ILE 35 -7.439 -4.249 -3.948 273 2HD1 ILE 35 3HD1 ILE 35 -8.320 -4.197 -2.422 274 3HD1 ILE 35 2HD1 ILE 35 -8.203 -2.750 -3.423 275 H VAL 36 H VAL 36 -2.410 -4.059 -3.421 276 HA VAL 36 HA VAL 36 -1.444 -4.441 -6.174 277 HB VAL 36 HB VAL 36 -2.108 -2.029 -6.065 278 1HG1 VAL 36 2HG1 VAL 36 0.019 -1.964 -3.902 279 2HG1 VAL 36 1HG1 VAL 36 -0.722 -0.539 -4.631 280 3HG1 VAL 36 3HG1 VAL 36 -1.704 -1.653 -3.678 281 1HG2 VAL 36 2HG2 VAL 36 0.526 -3.121 -6.697 282 2HG2 VAL 36 1HG2 VAL 36 -0.455 -1.973 -7.608 283 3HG2 VAL 36 3HG2 VAL 36 0.600 -1.402 -6.315 284 H ASP 37 H ASP 37 0.588 -5.326 -6.119 285 HA ASP 37 HA ASP 37 1.900 -5.500 -3.452 286 1HB ASP 37 2HB ASP 37 1.999 -7.163 -5.957 287 2HB ASP 37 1HB ASP 37 3.323 -7.247 -4.794 288 H ILE 38 H ILE 38 4.277 -5.235 -3.381 289 HA ILE 38 HA ILE 38 5.305 -3.471 -5.566 290 HB ILE 38 HB ILE 38 4.644 -2.215 -3.462 291 1HG1 ILE 38 2HG1 ILE 38 7.564 -2.252 -4.292 292 2HG1 ILE 38 1HG1 ILE 38 6.283 -1.276 -5.011 293 1HG2 ILE 38 1HG2 ILE 38 5.906 -4.339 -2.205 294 2HG2 ILE 38 3HG2 ILE 38 7.089 -3.037 -2.069 295 3HG2 ILE 38 2HG2 ILE 38 5.458 -2.815 -1.437 296 1HD1 ILE 38 1HD1 ILE 38 5.932 -0.332 -2.629 297 2HD1 ILE 38 3HD1 ILE 38 7.512 -1.026 -2.267 298 3HD1 ILE 38 2HD1 ILE 38 7.356 0.210 -3.517 299 H GLU 39 H GLU 39 7.662 -3.528 -5.786 300 HA GLU 39 HA GLU 39 8.918 -5.919 -4.506 301 1HB GLU 39 2HB GLU 39 8.296 -6.443 -6.844 302 2HB GLU 39 1HB GLU 39 9.221 -5.047 -7.397 303 1HG GLU 39 2HG GLU 39 11.118 -6.254 -7.366 304 2HG GLU 39 1HG GLU 39 10.873 -6.636 -5.662 305 H THR 40 H THR 40 11.082 -5.641 -3.910 306 HA THR 40 HA THR 40 12.319 -3.005 -4.573 307 HB THR 40 HB THR 40 11.275 -3.158 -2.219 308 HG1 THR 40 HG1 THR 40 13.181 -1.843 -3.069 309 1HG2 THR 40 3HG2 THR 40 12.310 -5.551 -1.993 310 2HG2 THR 40 2HG2 THR 40 13.771 -4.682 -1.527 311 3HG2 THR 40 1HG2 THR 40 12.291 -4.487 -0.587 312 H ASP 41 H ASP 41 14.721 -3.434 -3.162 313 HA ASP 41 HA ASP 41 16.357 -4.768 -4.921 314 1HB ASP 41 2HB ASP 41 16.772 -3.563 -2.525 315 2HB ASP 41 1HB ASP 41 17.049 -5.248 -2.079 316 H LYS 42 H LYS 42 15.405 -6.339 -1.846 317 HA LYS 42 HA LYS 42 14.918 -8.852 -3.354 318 1HB LYS 42 2HB LYS 42 17.007 -8.414 -1.236 319 2HB LYS 42 1HB LYS 42 16.241 -9.994 -1.397 320 1HG LYS 42 2HG LYS 42 17.830 -10.385 -2.970 321 2HG LYS 42 1HG LYS 42 16.821 -9.381 -4.013 322 1HD LYS 42 2HD LYS 42 18.399 -7.778 -4.087 323 2HD LYS 42 1HD LYS 42 18.473 -7.712 -2.326 324 1HE LYS 42 2HE LYS 42 19.737 -10.100 -3.514 325 2HE LYS 42 1HE LYS 42 20.526 -8.575 -3.918 326 1HZ LYS 42 2HZ LYS 42 19.841 -9.474 -1.172 327 2HZ LYS 42 1HZ LYS 42 21.390 -9.539 -1.865 328 3HZ LYS 42 3HZ LYS 42 20.652 -8.038 -1.582 329 H VAL 43 H VAL 43 12.920 -7.294 -2.300 330 HA VAL 43 HA VAL 43 11.783 -9.099 -0.295 331 HB VAL 43 HB VAL 43 12.312 -6.188 0.380 332 1HG1 VAL 43 1HG1 VAL 43 10.566 -8.311 1.595 333 2HG1 VAL 43 3HG1 VAL 43 11.316 -7.100 2.636 334 3HG1 VAL 43 2HG1 VAL 43 10.224 -6.599 1.344 335 1HG2 VAL 43 1HG2 VAL 43 13.347 -8.811 1.491 336 2HG2 VAL 43 3HG2 VAL 43 14.290 -7.518 0.750 337 3HG2 VAL 43 2HG2 VAL 43 13.532 -7.268 2.324 338 H VAL 44 H VAL 44 9.753 -9.384 -1.067 339 HA VAL 44 HA VAL 44 8.475 -7.150 -2.564 340 HB VAL 44 HB VAL 44 7.893 -10.119 -2.413 341 1HG1 VAL 44 2HG1 VAL 44 6.132 -7.889 -3.058 342 2HG1 VAL 44 1HG1 VAL 44 6.328 -8.977 -4.432 343 3HG1 VAL 44 3HG1 VAL 44 5.747 -9.601 -2.888 344 1HG2 VAL 44 1HG2 VAL 44 8.872 -8.224 -4.564 345 2HG2 VAL 44 3HG2 VAL 44 9.712 -9.624 -3.897 346 3HG2 VAL 44 2HG2 VAL 44 8.292 -9.851 -4.918 347 H MET 45 H MET 45 6.871 -6.005 -1.595 348 HA MET 45 HA MET 45 5.707 -7.112 0.922 349 1HB MET 45 2HB MET 45 5.877 -4.262 -0.105 350 2HB MET 45 1HB MET 45 5.076 -4.739 1.392 351 1HG MET 45 2HG MET 45 7.123 -5.473 2.371 352 2HG MET 45 1HG MET 45 7.966 -5.423 0.823 353 1HE MET 45 2HE MET 45 9.694 -4.506 1.486 354 2HE MET 45 1HE MET 45 9.909 -2.842 0.949 355 3HE MET 45 3HE MET 45 9.891 -3.222 2.677 356 H GLU 46 H GLU 46 3.359 -6.003 1.220 357 HA GLU 46 HA GLU 46 1.882 -6.278 -1.361 358 1HB GLU 46 2HB GLU 46 0.689 -7.347 1.177 359 2HB GLU 46 1HB GLU 46 0.368 -7.819 -0.492 360 1HG GLU 46 2HG GLU 46 2.795 -8.671 -0.539 361 2HG GLU 46 1HG GLU 46 2.756 -8.520 1.218 362 H VAL 47 H VAL 47 0.010 -4.969 -1.504 363 HA VAL 47 HA VAL 47 -0.309 -3.009 0.736 364 HB VAL 47 HB VAL 47 -0.851 -2.548 -2.212 365 1HG1 VAL 47 2HG1 VAL 47 -1.371 -1.060 0.263 366 2HG1 VAL 47 1HG1 VAL 47 -0.477 -0.121 -0.933 367 3HG1 VAL 47 3HG1 VAL 47 -2.041 -0.822 -1.352 368 1HG2 VAL 47 2HG2 VAL 47 1.628 -2.769 -0.976 369 2HG2 VAL 47 1HG2 VAL 47 1.305 -1.908 -2.480 370 3HG2 VAL 47 3HG2 VAL 47 1.315 -1.034 -0.949 371 H LEU 48 H LEU 48 -2.121 -3.685 1.815 372 HA LEU 48 HA LEU 48 -4.394 -4.812 0.301 373 1HB LEU 48 2HB LEU 48 -3.398 -5.002 3.000 374 2HB LEU 48 1HB LEU 48 -5.079 -4.470 3.030 375 HG LEU 48 HG LEU 48 -5.520 -6.362 1.334 376 1HD1 LEU 48 3HD1 LEU 48 -3.080 -6.718 0.854 377 2HD1 LEU 48 2HD1 LEU 48 -2.897 -7.349 2.492 378 3HD1 LEU 48 1HD1 LEU 48 -3.923 -8.192 1.332 379 1HD2 LEU 48 1HD2 LEU 48 -5.677 -6.243 4.068 380 2HD2 LEU 48 3HD2 LEU 48 -6.265 -7.595 3.101 381 3HD2 LEU 48 2HD2 LEU 48 -4.666 -7.670 3.842 382 H ALA 49 H ALA 49 -6.599 -3.916 0.686 383 HA ALA 49 HA ALA 49 -6.556 -0.997 0.448 384 1HB ALA 49 3HB ALA 49 -8.267 -3.082 -0.401 385 2HB ALA 49 2HB ALA 49 -9.215 -2.093 0.710 386 3HB ALA 49 1HB ALA 49 -8.458 -1.356 -0.703 387 H GLU 50 H GLU 50 -7.978 0.376 1.820 388 HA GLU 50 HA GLU 50 -7.860 -0.543 4.646 389 1HB GLU 50 2HB GLU 50 -7.347 1.943 3.334 390 2HB GLU 50 1HB GLU 50 -8.713 2.177 4.425 391 1HG GLU 50 2HG GLU 50 -6.402 0.612 5.470 392 2HG GLU 50 1HG GLU 50 -6.169 2.349 5.270 393 H ALA 51 H ALA 51 -10.053 -0.626 2.210 394 HA ALA 51 HA ALA 51 -12.279 -1.341 3.687 395 1HB ALA 51 3HB ALA 51 -11.914 1.621 3.572 396 2HB ALA 51 2HB ALA 51 -13.551 0.992 3.383 397 3HB ALA 51 1HB ALA 51 -12.630 0.628 4.841 398 H ASP 52 H ASP 52 -14.217 -1.502 2.358 399 HA ASP 52 HA ASP 52 -13.652 -1.829 -0.434 400 1HB ASP 52 2HB ASP 52 -15.381 -3.208 0.199 401 2HB ASP 52 1HB ASP 52 -16.069 -2.031 1.312 402 H GLY 53 H GLY 53 -15.100 -0.719 -2.127 403 1HA GLY 53 2HA GLY 53 -16.401 1.648 -2.086 404 2HA GLY 53 1HA GLY 53 -14.746 2.195 -1.794 405 H VAL 54 H VAL 54 -14.229 3.153 -3.740 406 HA VAL 54 HA VAL 54 -14.160 1.350 -6.106 407 HB VAL 54 HB VAL 54 -15.364 4.124 -5.995 408 1HG1 VAL 54 1HG1 VAL 54 -14.386 2.505 -8.357 409 2HG1 VAL 54 3HG1 VAL 54 -15.569 3.802 -8.518 410 3HG1 VAL 54 2HG1 VAL 54 -13.947 4.157 -7.925 411 1HG2 VAL 54 2HG2 VAL 54 -16.364 1.399 -6.148 412 2HG2 VAL 54 1HG2 VAL 54 -17.257 2.898 -5.897 413 3HG2 VAL 54 3HG2 VAL 54 -16.900 2.349 -7.534 414 H ILE 55 H ILE 55 -12.257 1.547 -7.237 415 HA ILE 55 HA ILE 55 -10.162 3.237 -6.130 416 HB ILE 55 HB ILE 55 -10.082 1.700 -8.736 417 1HG1 ILE 55 2HG1 ILE 55 -10.918 0.358 -6.717 418 2HG1 ILE 55 1HG1 ILE 55 -9.479 -0.266 -7.520 419 1HG2 ILE 55 2HG2 ILE 55 -7.998 2.611 -6.733 420 2HG2 ILE 55 1HG2 ILE 55 -7.659 1.494 -8.056 421 3HG2 ILE 55 3HG2 ILE 55 -8.174 3.144 -8.405 422 1HD1 ILE 55 1HD1 ILE 55 -9.063 1.688 -5.305 423 2HD1 ILE 55 3HD1 ILE 55 -9.585 0.063 -4.861 424 3HD1 ILE 55 2HD1 ILE 55 -8.090 0.292 -5.769 425 H ALA 56 H ALA 56 -9.050 4.930 -7.305 426 HA ALA 56 HA ALA 56 -10.885 6.500 -8.997 427 1HB ALA 56 3HB ALA 56 -8.627 7.054 -7.258 428 2HB ALA 56 2HB ALA 56 -8.418 7.832 -8.826 429 3HB ALA 56 1HB ALA 56 -9.861 8.159 -7.864 430 H GLU 57 H GLU 57 -7.394 5.732 -9.281 431 HA GLU 57 HA GLU 57 -7.590 4.496 -11.843 432 1HB GLU 57 2HB GLU 57 -7.793 7.379 -11.865 433 2HB GLU 57 1HB GLU 57 -6.315 6.872 -12.685 434 1HG GLU 57 2HG GLU 57 -9.049 5.693 -13.250 435 2HG GLU 57 1HG GLU 57 -8.320 6.988 -14.200 436 H ILE 58 H ILE 58 -5.598 3.609 -12.359 437 HA ILE 58 HA ILE 58 -3.385 4.221 -10.482 438 HB ILE 58 HB ILE 58 -3.643 2.012 -12.546 439 1HG1 ILE 58 2HG1 ILE 58 -5.336 1.667 -10.883 440 2HG1 ILE 58 1HG1 ILE 58 -3.990 0.614 -10.435 441 1HG2 ILE 58 1HG2 ILE 58 -1.637 2.642 -10.377 442 2HG2 ILE 58 3HG2 ILE 58 -1.837 1.006 -11.007 443 3HG2 ILE 58 2HG2 ILE 58 -1.336 2.310 -12.083 444 1HD1 ILE 58 1HD1 ILE 58 -3.174 2.467 -8.913 445 2HD1 ILE 58 3HD1 ILE 58 -4.691 3.306 -9.236 446 3HD1 ILE 58 2HD1 ILE 58 -4.705 1.738 -8.428 447 H VAL 59 H VAL 59 -1.450 5.114 -11.162 448 HA VAL 59 HA VAL 59 -1.332 5.944 -14.031 449 HB VAL 59 HB VAL 59 -0.030 7.167 -11.579 450 1HG1 VAL 59 1HG1 VAL 59 0.475 7.431 -14.461 451 2HG1 VAL 59 3HG1 VAL 59 0.162 8.972 -13.660 452 3HG1 VAL 59 2HG1 VAL 59 1.471 7.933 -13.096 453 1HG2 VAL 59 2HG2 VAL 59 -2.580 7.441 -12.091 454 2HG2 VAL 59 1HG2 VAL 59 -1.628 8.885 -11.745 455 3HG2 VAL 59 3HG2 VAL 59 -2.034 8.474 -13.412 456 H LYS 60 H LYS 60 0.118 3.961 -11.657 457 HA LYS 60 HA LYS 60 2.746 3.907 -13.011 458 1HB LYS 60 2HB LYS 60 1.719 3.190 -10.399 459 2HB LYS 60 1HB LYS 60 2.606 1.839 -11.104 460 1HG LYS 60 2HG LYS 60 3.639 4.679 -10.850 461 2HG LYS 60 1HG LYS 60 4.120 3.319 -9.834 462 1HD LYS 60 2HD LYS 60 5.378 2.341 -11.495 463 2HD LYS 60 1HD LYS 60 4.348 2.962 -12.786 464 1HE LYS 60 2HE LYS 60 6.343 4.564 -11.159 465 2HE LYS 60 1HE LYS 60 6.509 4.101 -12.853 466 1HZ LYS 60 3HZ LYS 60 4.150 5.296 -12.923 467 2HZ LYS 60 2HZ LYS 60 4.851 6.162 -11.641 468 3HZ LYS 60 1HZ LYS 60 5.607 6.128 -13.162 469 H ASN 61 H ASN 61 3.485 1.306 -12.982 470 HA ASN 61 HA ASN 61 1.346 -0.194 -14.417 471 1HB ASN 61 2HB ASN 61 4.108 0.489 -15.421 472 2HB ASN 61 1HB ASN 61 3.254 -0.938 -16.009 473 1HD2 ASN 61 2HD2 ASN 61 2.113 2.752 -17.277 474 2HD2 ASN 61 1HD2 ASN 61 3.385 2.558 -16.156 475 H GLU 62 H GLU 62 1.725 -2.519 -14.437 476 HA GLU 62 HA GLU 62 2.922 -3.473 -11.978 477 1HB GLU 62 2HB GLU 62 2.285 -5.363 -14.204 478 2HB GLU 62 1HB GLU 62 1.938 -5.503 -12.481 479 1HG GLU 62 2HG GLU 62 -0.178 -4.909 -13.030 480 2HG GLU 62 1HG GLU 62 0.467 -3.278 -13.219 481 H GLY 63 H GLY 63 4.850 -4.641 -11.719 482 1HA GLY 63 2HA GLY 63 7.068 -5.238 -12.193 483 2HA GLY 63 1HA GLY 63 6.473 -5.680 -13.797 484 H ASP 64 H ASP 64 5.945 -2.417 -12.804 485 HA ASP 64 HA ASP 64 7.981 -1.550 -14.792 486 1HB ASP 64 2HB ASP 64 6.046 -0.477 -15.415 487 2HB ASP 64 1HB ASP 64 5.407 -0.426 -13.774 488 H THR 65 H THR 65 9.043 0.620 -14.189 489 HA THR 65 HA THR 65 10.284 0.268 -11.533 490 HB THR 65 HB THR 65 11.597 0.772 -13.658 491 HG1 THR 65 HG1 THR 65 12.932 2.275 -12.537 492 1HG2 THR 65 3HG2 THR 65 9.802 2.600 -14.244 493 2HG2 THR 65 2HG2 THR 65 10.801 3.632 -13.222 494 3HG2 THR 65 1HG2 THR 65 11.495 2.876 -14.655 495 H VAL 66 H VAL 66 10.385 2.017 -9.978 496 HA VAL 66 HA VAL 66 8.444 4.231 -10.391 497 HB VAL 66 HB VAL 66 7.740 3.753 -7.915 498 1HG1 VAL 66 3HG1 VAL 66 6.877 2.239 -10.376 499 2HG1 VAL 66 2HG1 VAL 66 6.066 1.992 -8.830 500 3HG1 VAL 66 1HG1 VAL 66 6.073 3.590 -9.577 501 1HG2 VAL 66 2HG2 VAL 66 8.878 1.098 -8.833 502 2HG2 VAL 66 1HG2 VAL 66 9.331 2.015 -7.396 503 3HG2 VAL 66 3HG2 VAL 66 7.743 1.252 -7.492 504 H LEU 67 H LEU 67 8.645 5.780 -8.386 505 HA LEU 67 HA LEU 67 11.505 5.856 -7.514 506 1HB LEU 67 2HB LEU 67 10.494 7.573 -9.356 507 2HB LEU 67 1HB LEU 67 10.099 8.444 -7.874 508 HG LEU 67 HG LEU 67 12.795 7.337 -7.791 509 1HD1 LEU 67 3HD1 LEU 67 12.128 8.088 -10.330 510 2HD1 LEU 67 2HD1 LEU 67 12.692 9.622 -9.667 511 3HD1 LEU 67 1HD1 LEU 67 13.756 8.216 -9.663 512 1HD2 LEU 67 3HD2 LEU 67 11.345 9.891 -7.268 513 2HD2 LEU 67 2HD2 LEU 67 12.466 9.005 -6.235 514 3HD2 LEU 67 1HD2 LEU 67 13.081 10.002 -7.554 515 H SER 68 H SER 68 11.806 7.182 -5.510 516 HA SER 68 HA SER 68 10.044 6.407 -3.436 517 1HB SER 68 2HB SER 68 12.211 7.072 -2.759 518 2HB SER 68 1HB SER 68 12.120 8.585 -3.657 519 HG SER 68 HG SER 68 10.589 7.860 -1.372 520 H GLY 69 H GLY 69 8.315 7.460 -2.416 521 1HA GLY 69 2HA GLY 69 6.456 8.883 -2.271 522 2HA GLY 69 1HA GLY 69 7.536 10.160 -2.833 523 H GLU 70 H GLU 70 7.091 7.322 -4.799 524 HA GLU 70 HA GLU 70 6.041 8.968 -6.974 525 1HB GLU 70 2HB GLU 70 7.608 7.156 -7.474 526 2HB GLU 70 1HB GLU 70 6.503 5.977 -6.765 527 1HG GLU 70 2HG GLU 70 6.383 6.104 -9.278 528 2HG GLU 70 1HG GLU 70 4.844 6.407 -8.470 529 H LEU 71 H LEU 71 3.929 9.597 -6.712 530 HA LEU 71 HA LEU 71 1.929 8.112 -5.318 531 1HB LEU 71 2HB LEU 71 1.624 10.483 -5.734 532 2HB LEU 71 1HB LEU 71 1.677 10.226 -7.478 533 HG LEU 71 HG LEU 71 -0.303 8.469 -6.524 534 1HD1 LEU 71 3HD1 LEU 71 -0.058 10.857 -4.852 535 2HD1 LEU 71 2HD1 LEU 71 -1.646 10.724 -5.607 536 3HD1 LEU 71 1HD1 LEU 71 -1.036 9.410 -4.603 537 1HD2 LEU 71 3HD2 LEU 71 -0.093 10.920 -8.181 538 2HD2 LEU 71 2HD2 LEU 71 -0.843 9.369 -8.558 539 3HD2 LEU 71 1HD2 LEU 71 -1.707 10.552 -7.575 540 H LEU 72 H LEU 72 0.717 6.383 -5.959 541 HA LEU 72 HA LEU 72 1.044 5.453 -8.769 542 1HB LEU 72 2HB LEU 72 -0.261 3.860 -6.572 543 2HB LEU 72 1HB LEU 72 0.594 3.279 -8.000 544 HG LEU 72 HG LEU 72 1.970 4.841 -5.806 545 1HD1 LEU 72 3HD1 LEU 72 0.941 2.690 -4.969 546 2HD1 LEU 72 2HD1 LEU 72 1.928 1.831 -6.151 547 3HD1 LEU 72 1HD1 LEU 72 2.699 2.745 -4.855 548 1HD2 LEU 72 1HD2 LEU 72 2.763 3.388 -8.295 549 2HD2 LEU 72 3HD2 LEU 72 3.413 4.878 -7.612 550 3HD2 LEU 72 2HD2 LEU 72 3.867 3.319 -6.922 551 H GLY 73 H GLY 73 -1.618 5.139 -6.398 552 1HA GLY 73 2HA GLY 73 -3.442 6.440 -8.347 553 2HA GLY 73 1HA GLY 73 -3.819 4.788 -7.846 554 H LYS 74 H LYS 74 -5.805 6.275 -7.161 555 HA LYS 74 HA LYS 74 -5.352 6.977 -4.289 556 1HB LYS 74 2HB LYS 74 -6.995 8.439 -6.369 557 2HB LYS 74 1HB LYS 74 -7.204 8.698 -4.636 558 1HG LYS 74 2HG LYS 74 -5.053 9.606 -4.382 559 2HG LYS 74 1HG LYS 74 -4.467 8.879 -5.879 560 1HD LYS 74 2HD LYS 74 -6.704 10.884 -5.974 561 2HD LYS 74 1HD LYS 74 -5.036 11.440 -5.836 562 1HE LYS 74 2HE LYS 74 -4.543 10.862 -7.976 563 2HE LYS 74 1HE LYS 74 -5.432 9.344 -7.865 564 1HZ LYS 74 3HZ LYS 74 -7.003 11.797 -7.865 565 2HZ LYS 74 2HZ LYS 74 -6.257 11.372 -9.330 566 3HZ LYS 74 1HZ LYS 74 -7.337 10.296 -8.579 567 H LEU 75 H LEU 75 -7.148 6.501 -2.892 568 HA LEU 75 HA LEU 75 -8.985 4.453 -4.039 569 1HB LEU 75 2HB LEU 75 -7.455 3.952 -2.031 570 2HB LEU 75 1HB LEU 75 -8.526 5.005 -1.104 571 HG LEU 75 HG LEU 75 -10.207 3.271 -2.577 572 1HD1 LEU 75 3HD1 LEU 75 -7.794 2.013 -2.460 573 2HD1 LEU 75 2HD1 LEU 75 -8.508 1.483 -0.937 574 3HD1 LEU 75 1HD1 LEU 75 -9.339 1.162 -2.458 575 1HD2 LEU 75 1HD2 LEU 75 -9.379 3.528 0.318 576 2HD2 LEU 75 3HD2 LEU 75 -10.875 4.070 -0.445 577 3HD2 LEU 75 2HD2 LEU 75 -10.587 2.349 -0.192 578 H THR 76 H THR 76 -11.253 4.569 -3.523 579 HA THR 76 HA THR 76 -12.146 7.341 -2.863 580 HB THR 76 HB THR 76 -13.782 5.171 -4.196 581 HG1 THR 76 HG1 THR 76 -12.063 7.136 -5.284 582 1HG2 THR 76 2HG2 THR 76 -14.073 8.099 -3.650 583 2HG2 THR 76 1HG2 THR 76 -14.803 7.435 -5.111 584 3HG2 THR 76 3HG2 THR 76 -15.275 6.814 -3.529 585 H GLU 77 H GLU 77 -14.416 7.317 -1.770 586 HA GLU 77 HA GLU 77 -14.175 5.710 0.661 587 1HB GLU 77 2HB GLU 77 -15.971 7.905 -0.304 588 2HB GLU 77 1HB GLU 77 -16.520 6.895 1.035 589 1HG GLU 77 2HG GLU 77 -13.727 7.747 1.310 590 2HG GLU 77 1HG GLU 77 -14.863 9.097 1.275 591 H GLY 78 H GLY 78 -16.166 4.498 1.469 592 1HA GLY 78 2HA GLY 78 -17.859 3.379 -0.685 593 2HA GLY 78 1HA GLY 78 -16.815 2.242 0.171 594 H GLY 79 HN GLY 79 -16.990 2.547 2.695 595 1HA GLY 79 2HA GLY 79 -18.741 3.445 4.379 596 2HA GLY 79 1HA GLY 79 -19.907 2.639 3.328 No H/Q in entry = 596 Start of MODEL 15 1 1H ALA 1 1H ALA 1 -10.968 6.881 1.975 2 2H ALA 1 3H ALA 1 -12.390 7.455 1.253 3 3H ALA 1 2H ALA 1 -11.547 6.158 0.551 4 HA ALA 1 HA ALA 1 -10.571 7.649 -0.756 5 1HB ALA 1 3HB ALA 1 -12.351 9.271 -0.107 6 2HB ALA 1 2HB ALA 1 -11.357 9.775 1.261 7 3HB ALA 1 1HB ALA 1 -10.796 10.056 -0.389 8 H ILE 2 H ILE 2 -8.524 6.721 -0.312 9 HA ILE 2 HA ILE 2 -6.810 8.386 1.470 10 HB ILE 2 HB ILE 2 -6.815 5.353 1.379 11 1HG1 ILE 2 2HG1 ILE 2 -7.382 7.124 3.759 12 2HG1 ILE 2 1HG1 ILE 2 -8.671 6.616 2.668 13 1HG2 ILE 2 1HG2 ILE 2 -4.608 6.769 1.709 14 2HG2 ILE 2 3HG2 ILE 2 -5.261 7.023 3.328 15 3HG2 ILE 2 2HG2 ILE 2 -4.937 5.386 2.753 16 1HD1 ILE 2 2HD1 ILE 2 -6.772 4.596 3.849 17 2HD1 ILE 2 1HD1 ILE 2 -8.185 5.143 4.753 18 3HD1 ILE 2 3HD1 ILE 2 -8.391 4.339 3.197 19 H ASP 3 H ASP 3 -5.037 9.062 0.364 20 HA ASP 3 HA ASP 3 -4.537 8.324 -2.344 21 1HB ASP 3 2HB ASP 3 -3.754 10.446 -1.270 22 2HB ASP 3 1HB ASP 3 -2.563 9.505 -0.365 23 H ILE 4 H ILE 4 -2.749 7.079 -3.216 24 HA ILE 4 HA ILE 4 -1.677 5.047 -1.297 25 HB ILE 4 HB ILE 4 -2.455 4.612 -4.198 26 1HG1 ILE 4 2HG1 ILE 4 -3.778 3.229 -1.900 27 2HG1 ILE 4 1HG1 ILE 4 -4.230 4.905 -2.218 28 1HG2 ILE 4 1HG2 ILE 4 -0.539 3.272 -2.867 29 2HG2 ILE 4 3HG2 ILE 4 -1.947 2.388 -2.279 30 3HG2 ILE 4 2HG2 ILE 4 -1.620 2.476 -4.011 31 1HD1 ILE 4 2HD1 ILE 4 -4.736 4.322 -4.566 32 2HD1 ILE 4 1HD1 ILE 4 -4.303 2.644 -4.238 33 3HD1 ILE 4 3HD1 ILE 4 -5.706 3.363 -3.447 34 H LYS 5 H LYS 5 0.380 5.930 -1.045 35 HA LYS 5 HA LYS 5 1.982 6.214 -3.557 36 1HB LYS 5 2HB LYS 5 2.448 7.711 -0.963 37 2HB LYS 5 1HB LYS 5 3.252 7.981 -2.510 38 1HG LYS 5 2HG LYS 5 0.450 8.130 -2.983 39 2HG LYS 5 1HG LYS 5 0.794 9.116 -1.561 40 1HD LYS 5 2HD LYS 5 2.469 9.310 -4.065 41 2HD LYS 5 1HD LYS 5 1.005 10.269 -3.853 42 1HE LYS 5 2HE LYS 5 2.216 10.724 -1.469 43 2HE LYS 5 1HE LYS 5 3.632 10.504 -2.497 44 1HZ LYS 5 2HZ LYS 5 1.532 12.158 -3.612 45 2HZ LYS 5 1HZ LYS 5 2.312 12.810 -2.251 46 3HZ LYS 5 3HZ LYS 5 3.216 12.384 -3.620 47 H ALA 6 H ALA 6 4.226 5.541 -3.373 48 HA ALA 6 HA ALA 6 4.550 3.229 -1.616 49 1HB ALA 6 3HB ALA 6 5.869 4.334 -3.978 50 2HB ALA 6 2HB ALA 6 7.025 3.743 -2.784 51 3HB ALA 6 1HB ALA 6 5.786 2.663 -3.423 52 HA PRO 7 HA PRO 7 6.815 5.175 1.597 53 1HB PRO 7 2HB PRO 7 8.538 3.147 2.288 54 2HB PRO 7 1HB PRO 7 6.810 3.140 2.680 55 1HG PRO 7 2HG PRO 7 8.270 1.575 0.601 56 2HG PRO 7 1HG PRO 7 6.762 1.186 1.446 57 1HD PRO 7 2HD PRO 7 6.972 2.196 -1.191 58 2HD PRO 7 1HD PRO 7 5.486 2.113 -0.217 59 H THR 8 H THR 8 8.973 6.011 2.182 60 HA THR 8 HA THR 8 10.577 6.672 -0.146 61 HB THR 8 HB THR 8 11.325 7.098 2.757 62 HG1 THR 8 HG1 THR 8 10.294 9.254 2.052 63 1HG2 THR 8 2HG2 THR 8 12.050 8.418 0.136 64 2HG2 THR 8 1HG2 THR 8 12.374 9.167 1.700 65 3HG2 THR 8 3HG2 THR 8 13.130 7.629 1.285 66 H PHE 9 H PHE 9 12.612 5.865 -0.704 67 HA PHE 9 HA PHE 9 13.308 3.258 0.500 68 1HB PHE 9 2HB PHE 9 14.453 4.752 -1.881 69 2HB PHE 9 1HB PHE 9 14.946 3.131 -1.376 70 HD1 PHE 9 HD1 PHE 9 12.423 1.882 -0.584 71 HD2 PHE 9 HD2 PHE 9 13.266 4.491 -3.893 72 HE1 PHE 9 HE1 PHE 9 10.514 0.910 -1.836 73 HE2 PHE 9 HE2 PHE 9 11.357 3.519 -5.146 74 HZ PHE 9 HZ PHE 9 9.982 1.729 -4.117 75 HA PRO 10 HA PRO 10 16.660 4.829 2.857 76 1HB PRO 10 2HB PRO 10 18.271 2.601 2.878 77 2HB PRO 10 1HB PRO 10 16.784 2.742 3.830 78 1HG PRO 10 2HG PRO 10 17.279 1.169 1.345 79 2HG PRO 10 1HG PRO 10 16.104 0.882 2.639 80 1HD PRO 10 2HD PRO 10 15.540 2.024 0.110 81 2HD PRO 10 1HD PRO 10 14.463 2.031 1.526 82 H GLU 11 H GLU 11 19.353 4.338 2.683 83 HA GLU 11 HA GLU 11 20.108 5.825 0.302 84 1HB GLU 11 2HB GLU 11 21.266 6.114 2.482 85 2HB GLU 11 1HB GLU 11 21.864 4.459 2.365 86 1HG GLU 11 2HG GLU 11 23.021 5.028 0.256 87 2HG GLU 11 1HG GLU 11 22.437 6.687 0.389 88 H SER 12 H SER 12 21.030 2.577 1.511 89 HA SER 12 HA SER 12 22.491 1.625 -0.615 90 1HB SER 12 2HB SER 12 21.683 0.393 1.524 91 2HB SER 12 1HB SER 12 20.295 -0.082 0.546 92 HG SER 12 HG SER 12 21.531 -1.493 -0.384 93 H ILE 13 H ILE 13 18.917 1.470 -0.415 94 HA ILE 13 HA ILE 13 18.827 0.850 -3.311 95 HB ILE 13 HB ILE 13 16.573 1.059 -1.290 96 1HG1 ILE 13 2HG1 ILE 13 17.613 -1.512 -2.442 97 2HG1 ILE 13 1HG1 ILE 13 18.468 -0.775 -1.086 98 1HG2 ILE 13 3HG2 ILE 13 16.737 0.520 -4.199 99 2HG2 ILE 13 2HG2 ILE 13 15.717 -0.587 -3.281 100 3HG2 ILE 13 1HG2 ILE 13 15.394 1.146 -3.243 101 1HD1 ILE 13 2HD1 ILE 13 15.739 -0.626 -0.418 102 2HD1 ILE 13 1HD1 ILE 13 15.971 -2.243 -1.082 103 3HD1 ILE 13 3HD1 ILE 13 16.943 -1.703 0.287 104 H ALA 14 H ALA 14 17.774 2.226 -4.811 105 HA ALA 14 HA ALA 14 17.154 4.969 -3.785 106 1HB ALA 14 3HB ALA 14 19.329 4.633 -5.172 107 2HB ALA 14 2HB ALA 14 18.241 4.452 -6.548 108 3HB ALA 14 1HB ALA 14 18.250 5.954 -5.624 109 H ASP 15 H ASP 15 15.732 2.299 -4.933 110 HA ASP 15 HA ASP 15 13.311 3.574 -5.695 111 1HB ASP 15 2HB ASP 15 13.503 2.738 -8.196 112 2HB ASP 15 1HB ASP 15 14.131 4.322 -7.740 113 H GLY 16 H GLY 16 12.074 1.777 -7.283 114 1HA GLY 16 2HA GLY 16 12.819 -0.962 -6.505 115 2HA GLY 16 1HA GLY 16 11.321 -0.363 -5.789 116 H THR 17 H THR 17 10.195 -2.043 -7.024 117 HA THR 17 HA THR 17 9.469 -1.068 -9.718 118 HB THR 17 HB THR 17 10.571 -3.842 -9.192 119 HG1 THR 17 HG1 THR 17 11.915 -3.113 -10.997 120 1HG2 THR 17 2HG2 THR 17 8.630 -2.877 -11.143 121 2HG2 THR 17 1HG2 THR 17 10.061 -3.563 -11.914 122 3HG2 THR 17 3HG2 THR 17 9.122 -4.531 -10.777 123 H VAL 18 H VAL 18 7.301 -1.401 -10.096 124 HA VAL 18 HA VAL 18 5.554 -2.187 -8.017 125 HB VAL 18 HB VAL 18 4.959 -2.397 -10.982 126 1HG1 VAL 18 1HG1 VAL 18 3.398 -2.493 -8.484 127 2HG1 VAL 18 3HG1 VAL 18 2.753 -1.384 -9.695 128 3HG1 VAL 18 2HG1 VAL 18 2.984 -3.086 -10.093 129 1HG2 VAL 18 3HG2 VAL 18 5.057 -0.007 -9.127 130 2HG2 VAL 18 2HG2 VAL 18 5.896 -0.217 -10.664 131 3HG2 VAL 18 1HG2 VAL 18 4.146 0.003 -10.637 132 H ALA 19 H ALA 19 4.172 -4.131 -7.902 133 HA ALA 19 HA ALA 19 5.691 -6.549 -8.751 134 1HB ALA 19 1HB ALA 19 4.524 -5.841 -6.314 135 2HB ALA 19 3HB ALA 19 3.412 -7.028 -6.998 136 3HB ALA 19 2HB ALA 19 5.110 -7.442 -6.761 137 H THR 20 H THR 20 2.210 -6.111 -8.102 138 HA THR 20 HA THR 20 1.515 -6.576 -10.905 139 HB THR 20 HB THR 20 1.092 -8.724 -8.812 140 HG1 THR 20 HG1 THR 20 2.985 -8.999 -9.877 141 1HG2 THR 20 2HG2 THR 20 -0.309 -8.175 -11.413 142 2HG2 THR 20 1HG2 THR 20 -0.090 -9.836 -10.864 143 3HG2 THR 20 3HG2 THR 20 -0.993 -8.692 -9.871 144 H TRP 21 H TRP 21 -0.525 -5.759 -11.298 145 HA TRP 21 HA TRP 21 -1.965 -4.605 -9.006 146 1HB TRP 21 2HB TRP 21 -1.938 -4.253 -11.969 147 2HB TRP 21 1HB TRP 21 -3.432 -3.873 -11.118 148 HD1 TRP 21 HD1 TRP 21 0.094 -2.661 -11.666 149 HE1 TRP 21 HE1 TRP 21 0.414 -0.389 -10.477 150 HE3 TRP 21 HE3 TRP 21 -4.246 -2.429 -8.976 151 HZ2 TRP 21 HZ2 TRP 21 -0.956 1.282 -8.660 152 HZ3 TRP 21 HZ3 TRP 21 -4.713 -0.475 -7.518 153 HH2 TRP 21 HH2 TRP 21 -3.074 1.382 -7.356 154 H HIS 22 H HIS 22 -2.716 -6.677 -8.137 155 HA HIS 22 HA HIS 22 -4.110 -8.713 -9.407 156 1HB HIS 22 2HB HIS 22 -5.413 -7.626 -6.939 157 2HB HIS 22 1HB HIS 22 -5.020 -9.297 -7.358 158 HD1 HIS 22 HD1 HIS 22 -3.430 -6.112 -6.113 159 HD2 HIS 22 HD2 HIS 22 -2.460 -10.143 -6.530 160 HE1 HIS 22 HE1 HIS 22 -1.187 -6.421 -5.015 161 H LYS 23 H LYS 23 -5.904 -6.002 -7.905 162 HA LYS 23 HA LYS 23 -8.087 -6.454 -9.848 163 1HB LYS 23 2HB LYS 23 -7.827 -4.671 -7.412 164 2HB LYS 23 1HB LYS 23 -9.247 -4.679 -8.458 165 1HG LYS 23 2HG LYS 23 -8.800 -7.376 -7.957 166 2HG LYS 23 1HG LYS 23 -8.443 -6.605 -6.410 167 1HD LYS 23 2HD LYS 23 -10.649 -6.389 -6.032 168 2HD LYS 23 1HD LYS 23 -10.772 -5.349 -7.450 169 1HE LYS 23 2HE LYS 23 -10.544 -8.108 -8.272 170 2HE LYS 23 1HE LYS 23 -11.876 -7.927 -7.130 171 1HZ LYS 23 3HZ LYS 23 -12.674 -6.052 -8.483 172 2HZ LYS 23 2HZ LYS 23 -11.449 -6.364 -9.617 173 3HZ LYS 23 1HZ LYS 23 -12.666 -7.515 -9.339 174 H LYS 24 H LYS 24 -9.131 -3.999 -10.289 175 HA LYS 24 HA LYS 24 -6.931 -2.270 -11.299 176 1HB LYS 24 2HB LYS 24 -8.803 -3.858 -12.920 177 2HB LYS 24 1HB LYS 24 -8.769 -2.148 -13.352 178 1HG LYS 24 2HG LYS 24 -6.391 -2.204 -13.713 179 2HG LYS 24 1HG LYS 24 -6.268 -3.822 -13.023 180 1HD LYS 24 2HD LYS 24 -7.863 -4.571 -14.886 181 2HD LYS 24 1HD LYS 24 -7.541 -3.009 -15.639 182 1HE LYS 24 2HE LYS 24 -5.873 -4.275 -16.627 183 2HE LYS 24 1HE LYS 24 -5.014 -3.707 -15.196 184 1HZ LYS 24 1HZ LYS 24 -6.531 -6.250 -15.244 185 2HZ LYS 24 3HZ LYS 24 -4.890 -6.161 -15.659 186 3HZ LYS 24 2HZ LYS 24 -5.393 -5.732 -14.094 187 HA PRO 25 HA PRO 25 -9.593 1.019 -10.153 188 1HB PRO 25 2HB PRO 25 -9.105 2.856 -12.141 189 2HB PRO 25 1HB PRO 25 -7.955 2.486 -10.843 190 1HG PRO 25 2HG PRO 25 -7.882 1.656 -13.711 191 2HG PRO 25 1HG PRO 25 -6.541 1.899 -12.579 192 1HD PRO 25 2HD PRO 25 -7.607 -0.600 -13.339 193 2HD PRO 25 1HD PRO 25 -6.548 -0.306 -11.943 194 H GLY 26 H GLY 26 -11.797 1.166 -10.348 195 1HA GLY 26 2HA GLY 26 -13.672 1.957 -11.816 196 2HA GLY 26 1HA GLY 26 -12.975 0.951 -13.091 197 H GLU 27 H GLU 27 -12.710 -0.517 -10.051 198 HA GLU 27 HA GLU 27 -15.240 -2.047 -10.497 199 1HB GLU 27 2HB GLU 27 -12.662 -3.284 -9.509 200 2HB GLU 27 1HB GLU 27 -14.120 -4.110 -10.058 201 1HG GLU 27 2HG GLU 27 -12.392 -2.349 -11.821 202 2HG GLU 27 1HG GLU 27 -12.291 -4.110 -11.770 203 H ALA 28 H ALA 28 -15.285 -3.629 -8.307 204 HA ALA 28 HA ALA 28 -15.373 -1.641 -6.092 205 1HB ALA 28 1HB ALA 28 -16.806 -4.234 -6.641 206 2HB ALA 28 3HB ALA 28 -16.728 -3.588 -5.002 207 3HB ALA 28 2HB ALA 28 -17.489 -2.647 -6.285 208 H VAL 29 H VAL 29 -15.062 -2.922 -3.846 209 HA VAL 29 HA VAL 29 -12.822 -4.851 -4.040 210 HB VAL 29 HB VAL 29 -12.642 -2.159 -2.659 211 1HG1 VAL 29 1HG1 VAL 29 -10.846 -4.595 -2.476 212 2HG1 VAL 29 3HG1 VAL 29 -10.392 -2.987 -1.910 213 3HG1 VAL 29 2HG1 VAL 29 -11.740 -3.840 -1.157 214 1HG2 VAL 29 3HG2 VAL 29 -11.379 -3.462 -5.041 215 2HG2 VAL 29 2HG2 VAL 29 -11.896 -1.790 -4.824 216 3HG2 VAL 29 1HG2 VAL 29 -10.398 -2.354 -4.082 217 H LYS 30 H LYS 30 -12.294 -5.723 -1.804 218 HA LYS 30 HA LYS 30 -14.786 -5.761 -0.150 219 1HB LYS 30 2HB LYS 30 -12.639 -7.864 -0.551 220 2HB LYS 30 1HB LYS 30 -13.933 -7.997 0.640 221 1HG LYS 30 2HG LYS 30 -15.097 -8.995 -1.035 222 2HG LYS 30 1HG LYS 30 -15.335 -7.352 -1.631 223 1HD LYS 30 2HD LYS 30 -13.778 -7.584 -3.310 224 2HD LYS 30 1HD LYS 30 -12.789 -8.710 -2.380 225 1HE LYS 30 2HE LYS 30 -15.528 -9.521 -3.326 226 2HE LYS 30 1HE LYS 30 -14.142 -9.627 -4.412 227 1HZ LYS 30 2HZ LYS 30 -13.342 -10.694 -1.982 228 2HZ LYS 30 1HZ LYS 30 -14.873 -11.356 -2.305 229 3HZ LYS 30 3HZ LYS 30 -13.622 -11.529 -3.437 230 H ARG 31 H ARG 31 -14.612 -5.094 1.951 231 HA ARG 31 HA ARG 31 -12.544 -3.592 2.973 232 1HB ARG 31 2HB ARG 31 -14.175 -5.523 4.644 233 2HB ARG 31 1HB ARG 31 -13.416 -4.029 5.192 234 1HG ARG 31 2HG ARG 31 -15.158 -2.789 4.477 235 2HG ARG 31 1HG ARG 31 -15.128 -3.556 2.888 236 1HD ARG 31 2HD ARG 31 -16.104 -5.536 4.614 237 2HD ARG 31 1HD ARG 31 -16.910 -4.055 5.129 238 HE ARG 31 HE ARG 31 -17.030 -4.194 2.286 239 1HH1 ARG 31 2HH1 ARG 31 -17.924 -6.251 4.874 240 2HH1 ARG 31 1HH1 ARG 31 -19.510 -6.575 4.259 241 1HH2 ARG 31 1HH2 ARG 31 -19.205 -4.395 1.579 242 2HH2 ARG 31 2HH2 ARG 31 -20.235 -5.524 2.394 243 H ASP 32 H ASP 32 -10.430 -4.050 3.333 244 HA ASP 32 HA ASP 32 -8.530 -5.233 4.071 245 1HB ASP 32 2HB ASP 32 -10.384 -6.169 5.740 246 2HB ASP 32 1HB ASP 32 -10.161 -7.635 4.786 247 H GLU 33 H GLU 33 -8.927 -5.234 1.433 248 HA GLU 33 HA GLU 33 -8.352 -8.057 0.642 249 1HB GLU 33 2HB GLU 33 -10.668 -7.306 -0.054 250 2HB GLU 33 1HB GLU 33 -9.895 -6.080 -1.059 251 1HG GLU 33 2HG GLU 33 -9.929 -7.706 -2.654 252 2HG GLU 33 1HG GLU 33 -8.506 -8.310 -1.806 253 H LEU 34 H LEU 34 -6.404 -8.209 -0.361 254 HA LEU 34 HA LEU 34 -4.543 -6.205 -0.667 255 1HB LEU 34 2HB LEU 34 -4.092 -8.620 -1.061 256 2HB LEU 34 1HB LEU 34 -4.928 -8.503 -2.610 257 HG LEU 34 HG LEU 34 -3.307 -6.818 -3.373 258 1HD1 LEU 34 3HD1 LEU 34 -2.039 -7.284 -0.656 259 2HD1 LEU 34 2HD1 LEU 34 -1.304 -6.358 -1.964 260 3HD1 LEU 34 1HD1 LEU 34 -2.794 -5.791 -1.211 261 1HD2 LEU 34 2HD2 LEU 34 -2.160 -9.385 -2.248 262 2HD2 LEU 34 1HD2 LEU 34 -2.718 -9.087 -3.894 263 3HD2 LEU 34 3HD2 LEU 34 -1.245 -8.314 -3.308 264 H ILE 35 H ILE 35 -3.768 -5.060 -2.649 265 HA ILE 35 HA ILE 35 -5.850 -4.617 -4.715 266 HB ILE 35 HB ILE 35 -4.576 -2.346 -3.158 267 1HG1 ILE 35 2HG1 ILE 35 -6.266 -3.691 -1.861 268 2HG1 ILE 35 1HG1 ILE 35 -6.758 -2.020 -2.145 269 1HG2 ILE 35 2HG2 ILE 35 -6.440 -2.545 -5.506 270 2HG2 ILE 35 1HG2 ILE 35 -6.566 -1.167 -4.412 271 3HG2 ILE 35 3HG2 ILE 35 -5.057 -1.476 -5.271 272 1HD1 ILE 35 3HD1 ILE 35 -7.564 -4.255 -4.010 273 2HD1 ILE 35 2HD1 ILE 35 -8.525 -3.834 -2.593 274 3HD1 ILE 35 1HD1 ILE 35 -8.268 -2.644 -3.870 275 H VAL 36 H VAL 36 -2.567 -3.845 -3.564 276 HA VAL 36 HA VAL 36 -1.559 -4.307 -6.296 277 HB VAL 36 HB VAL 36 -2.166 -1.864 -6.174 278 1HG1 VAL 36 1HG1 VAL 36 -0.011 -1.906 -4.041 279 2HG1 VAL 36 3HG1 VAL 36 -0.646 -0.438 -4.785 280 3HG1 VAL 36 2HG1 VAL 36 -1.705 -1.465 -3.818 281 1HG2 VAL 36 3HG2 VAL 36 0.393 -3.069 -6.880 282 2HG2 VAL 36 2HG2 VAL 36 -0.550 -1.860 -7.753 283 3HG2 VAL 36 1HG2 VAL 36 0.567 -1.359 -6.483 284 H ASP 37 H ASP 37 0.497 -5.167 -6.228 285 HA ASP 37 HA ASP 37 1.713 -5.443 -3.524 286 1HB ASP 37 2HB ASP 37 1.771 -7.053 -6.043 287 2HB ASP 37 1HB ASP 37 3.190 -7.115 -4.995 288 H ILE 38 H ILE 38 4.134 -5.295 -3.433 289 HA ILE 38 HA ILE 38 5.213 -3.395 -5.472 290 HB ILE 38 HB ILE 38 5.540 -3.253 -2.459 291 1HG1 ILE 38 2HG1 ILE 38 4.524 -1.029 -4.192 292 2HG1 ILE 38 1HG1 ILE 38 3.428 -2.359 -3.812 293 1HG2 ILE 38 2HG2 ILE 38 6.791 -1.621 -4.690 294 2HG2 ILE 38 1HG2 ILE 38 6.865 -1.194 -2.981 295 3HG2 ILE 38 3HG2 ILE 38 7.638 -2.671 -3.555 296 1HD1 ILE 38 2HD1 ILE 38 4.976 -0.773 -1.742 297 2HD1 ILE 38 1HD1 ILE 38 3.288 -0.482 -2.164 298 3HD1 ILE 38 3HD1 ILE 38 3.762 -2.012 -1.425 299 H GLU 39 H GLU 39 7.539 -3.526 -5.746 300 HA GLU 39 HA GLU 39 8.678 -6.105 -4.741 301 1HB GLU 39 2HB GLU 39 8.234 -5.847 -7.261 302 2HB GLU 39 1HB GLU 39 9.550 -4.673 -7.255 303 1HG GLU 39 2HG GLU 39 11.047 -6.391 -6.258 304 2HG GLU 39 1HG GLU 39 9.734 -7.564 -6.361 305 H THR 40 H THR 40 10.887 -6.069 -4.074 306 HA THR 40 HA THR 40 12.123 -3.361 -3.859 307 HB THR 40 HB THR 40 12.618 -5.170 -1.580 308 HG1 THR 40 HG1 THR 40 10.628 -5.080 -0.761 309 1HG2 THR 40 2HG2 THR 40 12.073 -2.261 -2.090 310 2HG2 THR 40 1HG2 THR 40 11.940 -2.902 -0.452 311 3HG2 THR 40 3HG2 THR 40 13.470 -3.012 -1.320 312 H ASP 41 H ASP 41 14.519 -3.693 -3.060 313 HA ASP 41 HA ASP 41 16.032 -4.958 -4.979 314 1HB ASP 41 2HB ASP 41 16.636 -3.609 -2.696 315 2HB ASP 41 1HB ASP 41 17.137 -5.239 -2.244 316 H LYS 42 H LYS 42 15.525 -6.446 -1.756 317 HA LYS 42 HA LYS 42 15.335 -9.086 -3.134 318 1HB LYS 42 2HB LYS 42 17.066 -8.364 -0.755 319 2HB LYS 42 1HB LYS 42 16.675 -10.029 -1.190 320 1HG LYS 42 2HG LYS 42 17.485 -9.052 -3.604 321 2HG LYS 42 1HG LYS 42 18.505 -8.118 -2.510 322 1HD LYS 42 2HD LYS 42 18.897 -10.454 -1.355 323 2HD LYS 42 1HD LYS 42 18.397 -11.088 -2.924 324 1HE LYS 42 2HE LYS 42 20.658 -10.862 -3.326 325 2HE LYS 42 1HE LYS 42 20.128 -9.246 -3.794 326 1HZ LYS 42 1HZ LYS 42 20.622 -9.512 -0.979 327 2HZ LYS 42 3HZ LYS 42 22.002 -9.806 -1.921 328 3HZ LYS 42 2HZ LYS 42 21.170 -8.332 -2.070 329 H VAL 43 H VAL 43 13.180 -7.483 -2.166 330 HA VAL 43 HA VAL 43 12.014 -9.393 -0.258 331 HB VAL 43 HB VAL 43 12.176 -6.447 0.444 332 1HG1 VAL 43 2HG1 VAL 43 10.155 -7.859 1.164 333 2HG1 VAL 43 1HG1 VAL 43 11.286 -8.762 2.171 334 3HG1 VAL 43 3HG1 VAL 43 11.039 -7.038 2.450 335 1HG2 VAL 43 3HG2 VAL 43 13.640 -8.851 1.582 336 2HG2 VAL 43 2HG2 VAL 43 14.368 -7.502 0.709 337 3HG2 VAL 43 1HG2 VAL 43 13.649 -7.239 2.299 338 H VAL 44 H VAL 44 9.753 -9.427 -0.420 339 HA VAL 44 HA VAL 44 8.597 -7.527 -2.423 340 HB VAL 44 HB VAL 44 7.844 -10.399 -1.800 341 1HG1 VAL 44 2HG1 VAL 44 6.547 -8.276 -3.511 342 2HG1 VAL 44 1HG1 VAL 44 6.311 -9.993 -3.834 343 3HG1 VAL 44 3HG1 VAL 44 5.798 -9.308 -2.292 344 1HG2 VAL 44 1HG2 VAL 44 9.764 -9.270 -3.543 345 2HG2 VAL 44 3HG2 VAL 44 9.199 -10.941 -3.519 346 3HG2 VAL 44 2HG2 VAL 44 8.410 -9.759 -4.562 347 H MET 45 H MET 45 6.789 -6.384 -1.805 348 HA MET 45 HA MET 45 5.624 -7.057 0.869 349 1HB MET 45 2HB MET 45 6.056 -4.331 -0.392 350 2HB MET 45 1HB MET 45 5.189 -4.611 1.119 351 1HG MET 45 2HG MET 45 7.174 -5.519 2.164 352 2HG MET 45 1HG MET 45 8.054 -5.473 0.637 353 1HE MET 45 2HE MET 45 6.038 -3.596 3.164 354 2HE MET 45 1HE MET 45 6.568 -1.916 3.107 355 3HE MET 45 3HE MET 45 5.535 -2.566 1.826 356 H GLU 46 H GLU 46 3.361 -5.802 1.010 357 HA GLU 46 HA GLU 46 1.944 -6.049 -1.600 358 1HB GLU 46 2HB GLU 46 0.662 -7.096 0.909 359 2HB GLU 46 1HB GLU 46 0.317 -7.509 -0.771 360 1HG GLU 46 2HG GLU 46 2.486 -8.667 -0.941 361 2HG GLU 46 1HG GLU 46 2.843 -8.250 0.735 362 H VAL 47 H VAL 47 -0.168 -4.918 -1.573 363 HA VAL 47 HA VAL 47 -0.311 -2.828 0.564 364 HB VAL 47 HB VAL 47 -0.950 -2.397 -2.368 365 1HG1 VAL 47 2HG1 VAL 47 -1.435 -0.914 0.056 366 2HG1 VAL 47 1HG1 VAL 47 -0.325 -0.009 -0.975 367 3HG1 VAL 47 3HG1 VAL 47 -1.899 -0.507 -1.596 368 1HG2 VAL 47 2HG2 VAL 47 1.594 -2.365 -0.904 369 2HG2 VAL 47 1HG2 VAL 47 1.301 -2.353 -2.642 370 3HG2 VAL 47 3HG2 VAL 47 1.255 -0.844 -1.730 371 H LEU 48 H LEU 48 -2.097 -3.510 1.696 372 HA LEU 48 HA LEU 48 -4.461 -4.489 0.193 373 1HB LEU 48 2HB LEU 48 -3.333 -4.997 2.796 374 2HB LEU 48 1HB LEU 48 -4.992 -4.424 2.976 375 HG LEU 48 HG LEU 48 -5.449 -6.120 0.994 376 1HD1 LEU 48 2HD1 LEU 48 -2.710 -6.580 1.546 377 2HD1 LEU 48 1HD1 LEU 48 -3.584 -7.979 2.170 378 3HD1 LEU 48 3HD1 LEU 48 -3.758 -7.514 0.478 379 1HD2 LEU 48 1HD2 LEU 48 -4.961 -6.976 3.866 380 2HD2 LEU 48 3HD2 LEU 48 -6.446 -6.258 3.241 381 3HD2 LEU 48 2HD2 LEU 48 -5.943 -7.858 2.696 382 H ALA 49 H ALA 49 -6.593 -3.552 0.682 383 HA ALA 49 HA ALA 49 -6.444 -0.629 0.869 384 1HB ALA 49 3HB ALA 49 -8.559 -2.642 0.213 385 2HB ALA 49 2HB ALA 49 -9.070 -1.041 0.747 386 3HB ALA 49 1HB ALA 49 -8.058 -1.211 -0.688 387 H GLU 50 H GLU 50 -7.874 0.562 2.408 388 HA GLU 50 HA GLU 50 -7.680 -0.653 5.090 389 1HB GLU 50 2HB GLU 50 -7.427 1.959 4.086 390 2HB GLU 50 1HB GLU 50 -8.923 1.968 5.021 391 1HG GLU 50 2HG GLU 50 -6.780 0.495 6.361 392 2HG GLU 50 1HG GLU 50 -6.361 2.184 6.070 393 H ALA 51 H ALA 51 -9.931 -0.718 2.672 394 HA ALA 51 HA ALA 51 -11.984 -1.939 4.066 395 1HB ALA 51 1HB ALA 51 -12.133 1.064 4.256 396 2HB ALA 51 3HB ALA 51 -13.606 0.094 4.253 397 3HB ALA 51 2HB ALA 51 -12.401 -0.136 5.520 398 H ASP 52 H ASP 52 -14.063 -1.956 2.821 399 HA ASP 52 HA ASP 52 -13.652 -2.174 0.044 400 1HB ASP 52 2HB ASP 52 -15.575 -3.263 0.680 401 2HB ASP 52 1HB ASP 52 -16.050 -2.008 1.817 402 H GLY 53 H GLY 53 -14.920 -0.815 -1.615 403 1HA GLY 53 2HA GLY 53 -15.796 1.755 -1.473 404 2HA GLY 53 1HA GLY 53 -14.053 1.981 -1.287 405 H VAL 54 H VAL 54 -13.888 3.067 -3.324 406 HA VAL 54 HA VAL 54 -13.986 1.196 -5.645 407 HB VAL 54 HB VAL 54 -15.121 3.998 -5.504 408 1HG1 VAL 54 1HG1 VAL 54 -14.254 2.337 -7.868 409 2HG1 VAL 54 3HG1 VAL 54 -15.545 3.528 -8.019 410 3HG1 VAL 54 2HG1 VAL 54 -13.926 4.039 -7.541 411 1HG2 VAL 54 2HG2 VAL 54 -16.175 1.270 -5.590 412 2HG2 VAL 54 1HG2 VAL 54 -17.000 2.777 -5.188 413 3HG2 VAL 54 3HG2 VAL 54 -16.835 2.286 -6.873 414 H ILE 55 H ILE 55 -12.010 1.142 -6.584 415 HA ILE 55 HA ILE 55 -9.853 2.833 -5.794 416 HB ILE 55 HB ILE 55 -10.110 1.254 -8.370 417 1HG1 ILE 55 2HG1 ILE 55 -10.589 -0.004 -6.194 418 2HG1 ILE 55 1HG1 ILE 55 -9.271 -0.641 -7.175 419 1HG2 ILE 55 3HG2 ILE 55 -7.784 2.376 -6.795 420 2HG2 ILE 55 2HG2 ILE 55 -7.580 1.085 -7.980 421 3HG2 ILE 55 1HG2 ILE 55 -8.189 2.660 -8.488 422 1HD1 ILE 55 2HD1 ILE 55 -8.467 1.433 -5.234 423 2HD1 ILE 55 1HD1 ILE 55 -9.055 -0.064 -4.511 424 3HD1 ILE 55 3HD1 ILE 55 -7.691 -0.100 -5.629 425 H ALA 56 H ALA 56 -8.626 4.273 -7.363 426 HA ALA 56 HA ALA 56 -10.588 5.974 -8.835 427 1HB ALA 56 1HB ALA 56 -8.852 6.742 -6.911 428 2HB ALA 56 3HB ALA 56 -7.825 6.950 -8.328 429 3HB ALA 56 2HB ALA 56 -9.360 7.811 -8.217 430 H GLU 57 H GLU 57 -7.083 5.294 -9.153 431 HA GLU 57 HA GLU 57 -7.316 4.099 -11.752 432 1HB GLU 57 2HB GLU 57 -7.915 6.644 -12.069 433 2HB GLU 57 1HB GLU 57 -6.169 6.868 -11.945 434 1HG GLU 57 2HG GLU 57 -6.861 4.642 -13.701 435 2HG GLU 57 1HG GLU 57 -7.569 6.162 -14.250 436 H ILE 58 H ILE 58 -5.244 3.440 -12.538 437 HA ILE 58 HA ILE 58 -3.131 3.544 -10.477 438 HB ILE 58 HB ILE 58 -3.050 2.090 -13.130 439 1HG1 ILE 58 2HG1 ILE 58 -3.842 0.734 -10.579 440 2HG1 ILE 58 1HG1 ILE 58 -5.070 1.659 -11.451 441 1HG2 ILE 58 3HG2 ILE 58 -1.543 1.970 -10.527 442 2HG2 ILE 58 2HG2 ILE 58 -1.639 0.545 -11.561 443 3HG2 ILE 58 1HG2 ILE 58 -0.909 2.030 -12.172 444 1HD1 ILE 58 3HD1 ILE 58 -3.333 -0.311 -12.920 445 2HD1 ILE 58 2HD1 ILE 58 -4.753 -0.868 -12.036 446 3HD1 ILE 58 1HD1 ILE 58 -4.932 0.292 -13.352 447 H VAL 59 H VAL 59 -0.979 4.281 -10.960 448 HA VAL 59 HA VAL 59 -0.937 6.383 -13.059 449 HB VAL 59 HB VAL 59 0.850 5.815 -10.681 450 1HG1 VAL 59 3HG1 VAL 59 1.116 7.895 -12.871 451 2HG1 VAL 59 2HG1 VAL 59 2.008 7.937 -11.351 452 3HG1 VAL 59 1HG1 VAL 59 2.265 6.614 -12.488 453 1HG2 VAL 59 1HG2 VAL 59 -1.344 6.900 -10.241 454 2HG2 VAL 59 3HG2 VAL 59 0.003 7.989 -9.912 455 3HG2 VAL 59 2HG2 VAL 59 -0.932 8.166 -11.398 456 H LYS 60 H LYS 60 1.517 4.106 -11.774 457 HA LYS 60 HA LYS 60 2.670 3.921 -14.493 458 1HB LYS 60 2HB LYS 60 3.645 3.630 -11.768 459 2HB LYS 60 1HB LYS 60 4.110 2.252 -12.765 460 1HG LYS 60 2HG LYS 60 4.625 5.179 -13.358 461 2HG LYS 60 1HG LYS 60 5.830 3.950 -12.973 462 1HD LYS 60 2HD LYS 60 5.933 3.296 -15.124 463 2HD LYS 60 1HD LYS 60 4.184 3.078 -15.189 464 1HE LYS 60 2HE LYS 60 4.053 4.898 -16.503 465 2HE LYS 60 1HE LYS 60 4.624 5.869 -15.147 466 1HZ LYS 60 3HZ LYS 60 6.920 5.243 -15.829 467 2HZ LYS 60 2HZ LYS 60 6.265 4.545 -17.233 468 3HZ LYS 60 1HZ LYS 60 6.101 6.213 -16.953 469 H ASN 61 H ASN 61 3.662 1.391 -14.593 470 HA ASN 61 HA ASN 61 1.248 -0.355 -14.314 471 1HB ASN 61 2HB ASN 61 3.181 -0.077 -16.621 472 2HB ASN 61 1HB ASN 61 2.176 -1.512 -16.416 473 1HD2 ASN 61 2HD2 ASN 61 0.400 2.047 -17.445 474 2HD2 ASN 61 1HD2 ASN 61 1.978 2.051 -16.797 475 H GLU 62 H GLU 62 1.911 -2.748 -14.386 476 HA GLU 62 HA GLU 62 3.873 -3.240 -12.347 477 1HB GLU 62 2HB GLU 62 3.018 -5.398 -14.248 478 2HB GLU 62 1HB GLU 62 3.238 -5.474 -12.499 479 1HG GLU 62 2HG GLU 62 1.003 -5.234 -12.320 480 2HG GLU 62 1HG GLU 62 1.226 -3.567 -12.852 481 H GLY 63 H GLY 63 5.951 -4.226 -12.550 482 1HA GLY 63 2HA GLY 63 7.923 -4.908 -13.679 483 2HA GLY 63 1HA GLY 63 7.075 -4.704 -15.216 484 H ASP 64 H ASP 64 6.573 -1.964 -13.371 485 HA ASP 64 HA ASP 64 8.680 -0.530 -14.906 486 1HB ASP 64 2HB ASP 64 6.737 0.613 -15.358 487 2HB ASP 64 1HB ASP 64 5.995 0.198 -13.814 488 H THR 65 H THR 65 9.594 1.425 -13.667 489 HA THR 65 HA THR 65 10.572 0.420 -11.048 490 HB THR 65 HB THR 65 11.517 2.663 -12.854 491 HG1 THR 65 HG1 THR 65 12.303 0.852 -13.666 492 1HG2 THR 65 3HG2 THR 65 12.446 1.773 -10.119 493 2HG2 THR 65 2HG2 THR 65 13.471 2.697 -11.218 494 3HG2 THR 65 1HG2 THR 65 11.963 3.392 -10.624 495 H VAL 66 H VAL 66 9.785 1.260 -9.179 496 HA VAL 66 HA VAL 66 7.965 3.583 -9.327 497 HB VAL 66 HB VAL 66 7.388 3.015 -7.022 498 1HG1 VAL 66 3HG1 VAL 66 6.369 1.692 -8.862 499 2HG1 VAL 66 2HG1 VAL 66 7.675 0.515 -8.718 500 3HG1 VAL 66 1HG1 VAL 66 6.541 0.741 -7.386 501 1HG2 VAL 66 3HG2 VAL 66 9.961 1.574 -7.213 502 2HG2 VAL 66 2HG2 VAL 66 9.167 2.276 -5.802 503 3HG2 VAL 66 1HG2 VAL 66 8.680 0.685 -6.386 504 H LEU 67 H LEU 67 8.222 5.112 -7.278 505 HA LEU 67 HA LEU 67 11.093 5.640 -6.724 506 1HB LEU 67 2HB LEU 67 10.116 6.995 -8.746 507 2HB LEU 67 1HB LEU 67 9.305 7.932 -7.491 508 HG LEU 67 HG LEU 67 12.063 7.508 -6.758 509 1HD1 LEU 67 3HD1 LEU 67 11.638 7.820 -9.568 510 2HD1 LEU 67 2HD1 LEU 67 12.318 9.326 -8.950 511 3HD1 LEU 67 1HD1 LEU 67 13.170 7.803 -8.694 512 1HD2 LEU 67 1HD2 LEU 67 10.346 9.313 -6.083 513 2HD2 LEU 67 3HD2 LEU 67 11.997 9.854 -6.388 514 3HD2 LEU 67 2HD2 LEU 67 10.749 10.093 -7.612 515 H SER 68 H SER 68 11.322 7.270 -4.929 516 HA SER 68 HA SER 68 9.704 6.597 -2.698 517 1HB SER 68 2HB SER 68 11.760 7.519 -2.092 518 2HB SER 68 1HB SER 68 11.651 8.804 -3.292 519 HG SER 68 HG SER 68 11.192 9.771 -1.387 520 H GLY 69 H GLY 69 7.766 7.387 -1.976 521 1HA GLY 69 2HA GLY 69 5.800 8.665 -1.920 522 2HA GLY 69 1HA GLY 69 6.779 10.021 -2.484 523 H GLU 70 H GLU 70 6.690 7.094 -4.363 524 HA GLU 70 HA GLU 70 5.678 8.533 -6.671 525 1HB GLU 70 2HB GLU 70 7.263 6.709 -6.985 526 2HB GLU 70 1HB GLU 70 6.162 5.575 -6.198 527 1HG GLU 70 2HG GLU 70 6.090 5.454 -8.705 528 2HG GLU 70 1HG GLU 70 4.530 5.842 -7.977 529 H LEU 71 H LEU 71 3.557 8.958 -7.011 530 HA LEU 71 HA LEU 71 1.481 7.654 -5.442 531 1HB LEU 71 2HB LEU 71 1.466 10.069 -6.317 532 2HB LEU 71 1HB LEU 71 1.044 9.380 -7.885 533 HG LEU 71 HG LEU 71 -0.535 8.452 -5.534 534 1HD1 LEU 71 3HD1 LEU 71 -0.159 11.209 -5.974 535 2HD1 LEU 71 2HD1 LEU 71 -1.727 10.828 -6.686 536 3HD1 LEU 71 1HD1 LEU 71 -1.414 10.454 -4.991 537 1HD2 LEU 71 2HD2 LEU 71 -0.692 7.933 -8.152 538 2HD2 LEU 71 1HD2 LEU 71 -2.139 8.025 -7.148 539 3HD2 LEU 71 3HD2 LEU 71 -1.662 9.406 -8.136 540 H LEU 72 H LEU 72 0.985 5.560 -5.937 541 HA LEU 72 HA LEU 72 1.130 4.630 -8.734 542 1HB LEU 72 2HB LEU 72 0.293 3.114 -6.243 543 2HB LEU 72 1HB LEU 72 0.712 2.417 -7.809 544 HG LEU 72 HG LEU 72 2.826 4.170 -6.912 545 1HD1 LEU 72 1HD1 LEU 72 1.885 3.555 -4.663 546 2HD1 LEU 72 3HD1 LEU 72 2.172 1.861 -5.059 547 3HD1 LEU 72 2HD1 LEU 72 3.531 2.977 -4.920 548 1HD2 LEU 72 1HD2 LEU 72 2.430 1.684 -8.238 549 2HD2 LEU 72 3HD2 LEU 72 3.935 2.590 -8.075 550 3HD2 LEU 72 2HD2 LEU 72 3.501 1.375 -6.871 551 H GLY 73 H GLY 73 -1.176 6.032 -6.688 552 1HA GLY 73 2HA GLY 73 -3.264 6.262 -8.436 553 2HA GLY 73 1HA GLY 73 -3.501 4.631 -7.798 554 H LYS 74 H LYS 74 -5.562 5.979 -7.112 555 HA LYS 74 HA LYS 74 -5.087 6.800 -4.290 556 1HB LYS 74 2HB LYS 74 -6.993 8.303 -6.093 557 2HB LYS 74 1HB LYS 74 -6.415 8.768 -4.492 558 1HG LYS 74 2HG LYS 74 -4.251 9.283 -5.293 559 2HG LYS 74 1HG LYS 74 -4.503 8.395 -6.796 560 1HD LYS 74 2HD LYS 74 -6.373 10.645 -6.230 561 2HD LYS 74 1HD LYS 74 -4.718 11.069 -6.671 562 1HE LYS 74 2HE LYS 74 -5.687 8.958 -8.390 563 2HE LYS 74 1HE LYS 74 -6.804 10.322 -8.418 564 1HZ LYS 74 3HZ LYS 74 -3.869 10.539 -8.804 565 2HZ LYS 74 2HZ LYS 74 -5.009 10.517 -10.064 566 3HZ LYS 74 1HZ LYS 74 -5.001 11.794 -8.943 567 H LEU 75 H LEU 75 -6.872 6.354 -2.905 568 HA LEU 75 HA LEU 75 -8.820 4.429 -4.072 569 1HB LEU 75 2HB LEU 75 -7.372 3.843 -2.041 570 2HB LEU 75 1HB LEU 75 -8.360 4.991 -1.136 571 HG LEU 75 HG LEU 75 -10.217 3.435 -2.528 572 1HD1 LEU 75 1HD1 LEU 75 -7.833 1.975 -2.470 573 2HD1 LEU 75 3HD1 LEU 75 -8.766 1.337 -1.116 574 3HD1 LEU 75 2HD1 LEU 75 -9.449 1.322 -2.742 575 1HD2 LEU 75 3HD2 LEU 75 -9.662 4.241 0.080 576 2HD2 LEU 75 2HD2 LEU 75 -11.070 3.313 -0.434 577 3HD2 LEU 75 1HD2 LEU 75 -9.639 2.481 0.177 578 H THR 76 H THR 76 -11.069 4.727 -3.768 579 HA THR 76 HA THR 76 -11.838 7.480 -2.886 580 HB THR 76 HB THR 76 -13.396 5.691 -4.765 581 HG1 THR 76 HG1 THR 76 -11.275 7.464 -5.197 582 1HG2 THR 76 1HG2 THR 76 -13.576 8.523 -3.805 583 2HG2 THR 76 3HG2 THR 76 -14.142 8.135 -5.429 584 3HG2 THR 76 2HG2 THR 76 -14.861 7.337 -4.030 585 H GLU 77 H GLU 77 -14.243 7.499 -2.134 586 HA GLU 77 HA GLU 77 -14.476 5.560 0.034 587 1HB GLU 77 2HB GLU 77 -16.510 7.619 -0.870 588 2HB GLU 77 1HB GLU 77 -16.415 6.840 0.710 589 1HG GLU 77 2HG GLU 77 -13.866 7.994 0.175 590 2HG GLU 77 1HG GLU 77 -15.086 9.218 -0.176 591 H GLY 78 H GLY 78 -17.458 5.515 -0.141 592 1HA GLY 78 2HA GLY 78 -18.639 4.475 -2.371 593 2HA GLY 78 1HA GLY 78 -17.656 3.117 -1.822 594 H GLY 79 HN GLY 79 -20.637 3.466 -1.877 595 1HA GLY 79 2HA GLY 79 -21.381 2.040 0.387 596 2HA GLY 79 1HA GLY 79 -21.503 3.729 0.881 No H/Q in entry = 596 Start of MODEL 16 1 1H ALA 1 3H ALA 1 -11.264 7.428 1.596 2 2H ALA 1 2H ALA 1 -12.250 7.957 0.319 3 3H ALA 1 1H ALA 1 -11.082 6.753 0.051 4 HA ALA 1 HA ALA 1 -10.209 8.751 -0.838 5 1HB ALA 1 3HB ALA 1 -11.501 9.849 1.568 6 2HB ALA 1 2HB ALA 1 -9.904 10.525 1.247 7 3HB ALA 1 1HB ALA 1 -11.166 10.624 0.020 8 H ILE 2 H ILE 2 -8.383 7.361 -0.830 9 HA ILE 2 HA ILE 2 -6.451 7.942 1.331 10 HB ILE 2 HB ILE 2 -6.788 5.070 0.519 11 1HG1 ILE 2 2HG1 ILE 2 -8.265 6.358 2.831 12 2HG1 ILE 2 1HG1 ILE 2 -9.027 5.994 1.281 13 1HG2 ILE 2 1HG2 ILE 2 -5.157 6.580 2.307 14 2HG2 ILE 2 3HG2 ILE 2 -6.198 5.542 3.282 15 3HG2 ILE 2 2HG2 ILE 2 -5.155 4.835 2.047 16 1HD1 ILE 2 2HD1 ILE 2 -8.180 3.596 1.602 17 2HD1 ILE 2 1HD1 ILE 2 -7.836 4.054 3.270 18 3HD1 ILE 2 3HD1 ILE 2 -9.491 4.110 2.663 19 H ASP 3 H ASP 3 -4.555 8.432 0.345 20 HA ASP 3 HA ASP 3 -4.177 8.000 -2.491 21 1HB ASP 3 2HB ASP 3 -3.180 9.933 -1.342 22 2HB ASP 3 1HB ASP 3 -2.199 8.848 -0.351 23 H ILE 4 H ILE 4 -2.624 6.602 -3.493 24 HA ILE 4 HA ILE 4 -1.636 4.387 -1.743 25 HB ILE 4 HB ILE 4 -2.687 4.092 -4.573 26 1HG1 ILE 4 2HG1 ILE 4 -4.133 2.755 -2.400 27 2HG1 ILE 4 1HG1 ILE 4 -4.183 4.514 -2.273 28 1HG2 ILE 4 2HG2 ILE 4 -1.339 2.322 -2.609 29 2HG2 ILE 4 1HG2 ILE 4 -2.727 1.624 -3.444 30 3HG2 ILE 4 3HG2 ILE 4 -1.360 2.240 -4.371 31 1HD1 ILE 4 3HD1 ILE 4 -4.564 3.830 -5.017 32 2HD1 ILE 4 2HD1 ILE 4 -5.654 2.829 -4.058 33 3HD1 ILE 4 1HD1 ILE 4 -5.717 4.585 -3.916 34 H LYS 5 H LYS 5 0.316 5.900 -1.846 35 HA LYS 5 HA LYS 5 1.769 5.687 -4.437 36 1HB LYS 5 2HB LYS 5 3.347 7.325 -3.375 37 2HB LYS 5 1HB LYS 5 1.696 7.933 -3.510 38 1HG LYS 5 2HG LYS 5 1.270 7.662 -1.218 39 2HG LYS 5 1HG LYS 5 2.589 6.510 -1.013 40 1HD LYS 5 2HD LYS 5 4.169 8.148 -0.803 41 2HD LYS 5 1HD LYS 5 3.376 9.202 -1.974 42 1HE LYS 5 2HE LYS 5 2.926 10.391 -0.048 43 2HE LYS 5 1HE LYS 5 1.524 9.323 -0.056 44 1HZ LYS 5 3HZ LYS 5 4.068 8.796 1.382 45 2HZ LYS 5 2HZ LYS 5 2.635 9.358 2.101 46 3HZ LYS 5 1HZ LYS 5 2.689 7.810 1.402 47 H ALA 6 H ALA 6 4.189 5.221 -4.183 48 HA ALA 6 HA ALA 6 4.532 2.692 -2.863 49 1HB ALA 6 1HB ALA 6 5.927 4.167 -4.781 50 2HB ALA 6 3HB ALA 6 7.031 4.094 -3.409 51 3HB ALA 6 2HB ALA 6 6.409 2.605 -4.118 52 HA PRO 7 HA PRO 7 5.805 3.960 1.141 53 1HB PRO 7 2HB PRO 7 7.458 1.858 1.779 54 2HB PRO 7 1HB PRO 7 5.690 1.737 1.743 55 1HG PRO 7 2HG PRO 7 7.684 0.689 -0.213 56 2HG PRO 7 1HG PRO 7 6.053 0.100 0.152 57 1HD PRO 7 2HD PRO 7 6.788 1.665 -2.090 58 2HD PRO 7 1HD PRO 7 5.128 1.349 -1.534 59 H THR 8 H THR 8 7.853 4.390 2.468 60 HA THR 8 HA THR 8 9.801 5.778 0.802 61 HB THR 8 HB THR 8 10.461 5.355 3.650 62 HG1 THR 8 HG1 THR 8 8.701 6.852 4.185 63 1HG2 THR 8 1HG2 THR 8 10.465 7.483 1.594 64 2HG2 THR 8 3HG2 THR 8 10.164 8.027 3.244 65 3HG2 THR 8 2HG2 THR 8 11.640 7.140 2.863 66 H PHE 9 H PHE 9 11.923 5.152 0.381 67 HA PHE 9 HA PHE 9 12.600 2.344 1.146 68 1HB PHE 9 2HB PHE 9 13.740 4.033 -1.104 69 2HB PHE 9 1HB PHE 9 14.058 2.320 -0.813 70 HD1 PHE 9 HD1 PHE 9 11.301 1.437 -0.008 71 HD2 PHE 9 HD2 PHE 9 12.633 3.972 -3.213 72 HE1 PHE 9 HE1 PHE 9 9.283 0.836 -1.323 73 HE2 PHE 9 HE2 PHE 9 10.617 3.371 -4.527 74 HZ PHE 9 HZ PHE 9 8.942 1.803 -3.582 75 HA PRO 10 HA PRO 10 15.968 3.857 3.525 76 1HB PRO 10 2HB PRO 10 17.565 1.621 3.445 77 2HB PRO 10 1HB PRO 10 16.097 1.741 4.431 78 1HG PRO 10 2HG PRO 10 16.532 0.242 1.890 79 2HG PRO 10 1HG PRO 10 15.382 -0.078 3.198 80 1HD PRO 10 2HD PRO 10 14.774 1.145 0.717 81 2HD PRO 10 1HD PRO 10 13.726 1.114 2.153 82 H GLU 11 H GLU 11 18.400 4.188 3.373 83 HA GLU 11 HA GLU 11 19.200 5.429 1.001 84 1HB GLU 11 2HB GLU 11 20.551 4.430 3.415 85 2HB GLU 11 1HB GLU 11 21.592 4.482 1.992 86 1HG GLU 11 2HG GLU 11 21.710 6.730 2.073 87 2HG GLU 11 1HG GLU 11 19.953 6.871 2.156 88 H SER 12 H SER 12 20.076 2.109 2.032 89 HA SER 12 HA SER 12 21.539 1.247 -0.132 90 1HB SER 12 2HB SER 12 20.854 -0.148 1.854 91 2HB SER 12 1HB SER 12 19.284 -0.375 1.080 92 HG SER 12 HG SER 12 20.561 -2.076 0.469 93 H ILE 13 H ILE 13 17.966 1.304 0.025 94 HA ILE 13 HA ILE 13 17.874 0.772 -2.894 95 HB ILE 13 HB ILE 13 15.524 1.106 -1.018 96 1HG1 ILE 13 2HG1 ILE 13 16.913 -1.487 -1.751 97 2HG1 ILE 13 1HG1 ILE 13 17.173 -0.645 -0.223 98 1HG2 ILE 13 2HG2 ILE 13 15.691 0.844 -3.772 99 2HG2 ILE 13 1HG2 ILE 13 15.402 -0.811 -3.234 100 3HG2 ILE 13 3HG2 ILE 13 14.271 0.469 -2.795 101 1HD1 ILE 13 2HD1 ILE 13 14.342 -0.888 -0.756 102 2HD1 ILE 13 1HD1 ILE 13 15.112 -2.473 -0.823 103 3HD1 ILE 13 3HD1 ILE 13 15.264 -1.479 0.626 104 H ALA 14 H ALA 14 17.754 2.477 -4.265 105 HA ALA 14 HA ALA 14 16.911 5.113 -3.167 106 1HB ALA 14 1HB ALA 14 18.420 4.340 -5.677 107 2HB ALA 14 3HB ALA 14 17.905 5.988 -5.320 108 3HB ALA 14 2HB ALA 14 19.061 5.178 -4.264 109 H ASP 15 H ASP 15 15.320 2.638 -4.381 110 HA ASP 15 HA ASP 15 13.108 4.175 -5.342 111 1HB ASP 15 2HB ASP 15 13.303 3.093 -7.747 112 2HB ASP 15 1HB ASP 15 14.124 4.612 -7.391 113 H GLY 16 H GLY 16 11.760 2.384 -6.897 114 1HA GLY 16 2HA GLY 16 12.047 -0.309 -5.724 115 2HA GLY 16 1HA GLY 16 10.562 0.553 -5.319 116 H THR 17 H THR 17 9.791 -1.514 -6.562 117 HA THR 17 HA THR 17 9.166 -0.634 -9.312 118 HB THR 17 HB THR 17 10.184 -3.444 -8.883 119 HG1 THR 17 HG1 THR 17 11.858 -2.019 -8.353 120 1HG2 THR 17 2HG2 THR 17 8.781 -2.631 -10.910 121 2HG2 THR 17 1HG2 THR 17 10.248 -1.778 -11.391 122 3HG2 THR 17 3HG2 THR 17 10.261 -3.535 -11.233 123 H VAL 18 H VAL 18 7.030 -1.025 -9.670 124 HA VAL 18 HA VAL 18 5.303 -2.145 -7.745 125 HB VAL 18 HB VAL 18 4.875 -2.069 -10.748 126 1HG1 VAL 18 1HG1 VAL 18 2.980 -2.234 -8.387 127 2HG1 VAL 18 3HG1 VAL 18 2.466 -1.894 -10.040 128 3HG1 VAL 18 2HG1 VAL 18 3.210 -3.444 -9.649 129 1HG2 VAL 18 1HG2 VAL 18 5.544 0.114 -9.586 130 2HG2 VAL 18 3HG2 VAL 18 4.006 0.138 -10.448 131 3HG2 VAL 18 2HG2 VAL 18 4.031 -0.016 -8.691 132 H ALA 19 H ALA 19 3.998 -4.188 -7.989 133 HA ALA 19 HA ALA 19 5.765 -6.394 -8.959 134 1HB ALA 19 2HB ALA 19 4.613 -6.003 -6.456 135 2HB ALA 19 1HB ALA 19 3.547 -7.180 -7.222 136 3HB ALA 19 3HB ALA 19 5.270 -7.523 -7.062 137 H THR 20 H THR 20 2.264 -6.217 -8.272 138 HA THR 20 HA THR 20 1.604 -6.598 -11.102 139 HB THR 20 HB THR 20 1.247 -8.821 -9.076 140 HG1 THR 20 HG1 THR 20 2.673 -8.408 -11.446 141 1HG2 THR 20 2HG2 THR 20 -0.852 -8.384 -10.372 142 2HG2 THR 20 1HG2 THR 20 0.064 -8.632 -11.858 143 3HG2 THR 20 3HG2 THR 20 -0.137 -9.959 -10.715 144 H TRP 21 H TRP 21 -0.433 -5.783 -11.479 145 HA TRP 21 HA TRP 21 -1.939 -4.790 -9.154 146 1HB TRP 21 2HB TRP 21 -1.873 -4.277 -12.092 147 2HB TRP 21 1HB TRP 21 -3.386 -3.973 -11.245 148 HD1 TRP 21 HD1 TRP 21 0.093 -2.628 -11.715 149 HE1 TRP 21 HE1 TRP 21 0.355 -0.432 -10.379 150 HE3 TRP 21 HE3 TRP 21 -4.223 -2.715 -8.981 151 HZ2 TRP 21 HZ2 TRP 21 -1.048 1.069 -8.442 152 HZ3 TRP 21 HZ3 TRP 21 -4.737 -0.880 -7.390 153 HH2 TRP 21 HH2 TRP 21 -3.154 1.014 -7.116 154 H HIS 22 H HIS 22 -2.691 -6.886 -8.390 155 HA HIS 22 HA HIS 22 -3.990 -8.908 -9.773 156 1HB HIS 22 2HB HIS 22 -5.387 -7.907 -7.314 157 2HB HIS 22 1HB HIS 22 -4.987 -9.564 -7.779 158 HD1 HIS 22 HD1 HIS 22 -3.435 -6.436 -6.365 159 HD2 HIS 22 HD2 HIS 22 -2.441 -10.442 -6.932 160 HE1 HIS 22 HE1 HIS 22 -1.216 -6.786 -5.229 161 H LYS 23 H LYS 23 -5.753 -6.098 -8.406 162 HA LYS 23 HA LYS 23 -7.899 -6.606 -10.405 163 1HB LYS 23 2HB LYS 23 -8.059 -4.553 -8.210 164 2HB LYS 23 1HB LYS 23 -9.365 -5.455 -8.980 165 1HG LYS 23 2HG LYS 23 -7.266 -6.591 -7.109 166 2HG LYS 23 1HG LYS 23 -8.973 -6.347 -6.738 167 1HD LYS 23 2HD LYS 23 -8.693 -7.861 -9.186 168 2HD LYS 23 1HD LYS 23 -7.800 -8.641 -7.880 169 1HE LYS 23 2HE LYS 23 -9.715 -9.355 -6.943 170 2HE LYS 23 1HE LYS 23 -10.332 -7.704 -6.877 171 1HZ LYS 23 2HZ LYS 23 -10.339 -8.872 -9.513 172 2HZ LYS 23 1HZ LYS 23 -11.357 -9.661 -8.407 173 3HZ LYS 23 3HZ LYS 23 -11.556 -8.004 -8.705 174 H LYS 24 H LYS 24 -8.989 -4.163 -10.787 175 HA LYS 24 HA LYS 24 -6.743 -2.494 -11.849 176 1HB LYS 24 2HB LYS 24 -8.972 -3.740 -13.237 177 2HB LYS 24 1HB LYS 24 -8.997 -1.987 -13.439 178 1HG LYS 24 2HG LYS 24 -6.555 -2.103 -14.060 179 2HG LYS 24 1HG LYS 24 -6.699 -3.861 -14.056 180 1HD LYS 24 2HD LYS 24 -8.872 -2.813 -15.583 181 2HD LYS 24 1HD LYS 24 -7.390 -2.042 -16.150 182 1HE LYS 24 2HE LYS 24 -7.337 -3.974 -17.424 183 2HE LYS 24 1HE LYS 24 -6.453 -4.527 -16.000 184 1HZ LYS 24 2HZ LYS 24 -8.884 -5.065 -15.197 185 2HZ LYS 24 1HZ LYS 24 -9.170 -5.163 -16.869 186 3HZ LYS 24 3HZ LYS 24 -8.002 -6.160 -16.150 187 HA PRO 25 HA PRO 25 -8.668 0.965 -9.963 188 1HB PRO 25 2HB PRO 25 -8.328 2.915 -11.873 189 2HB PRO 25 1HB PRO 25 -7.009 2.288 -10.867 190 1HG PRO 25 2HG PRO 25 -7.609 1.734 -13.741 191 2HG PRO 25 1HG PRO 25 -6.053 1.713 -12.895 192 1HD PRO 25 2HD PRO 25 -7.560 -0.564 -13.591 193 2HD PRO 25 1HD PRO 25 -6.227 -0.526 -12.419 194 H GLY 26 H GLY 26 -10.905 0.329 -9.920 195 1HA GLY 26 2HA GLY 26 -12.882 1.893 -10.875 196 2HA GLY 26 1HA GLY 26 -12.574 0.881 -12.291 197 H GLU 27 H GLU 27 -11.789 -1.298 -10.208 198 HA GLU 27 HA GLU 27 -14.488 -2.460 -10.086 199 1HB GLU 27 2HB GLU 27 -13.350 -4.479 -9.303 200 2HB GLU 27 1HB GLU 27 -12.501 -3.834 -10.709 201 1HG GLU 27 2HG GLU 27 -10.636 -3.916 -9.430 202 2HG GLU 27 1HG GLU 27 -11.296 -2.511 -8.593 203 H ALA 28 H ALA 28 -15.082 -3.583 -7.928 204 HA ALA 28 HA ALA 28 -14.778 -1.558 -5.778 205 1HB ALA 28 2HB ALA 28 -16.661 -3.908 -6.124 206 2HB ALA 28 1HB ALA 28 -16.624 -2.889 -4.685 207 3HB ALA 28 3HB ALA 28 -17.064 -2.195 -6.246 208 H VAL 29 H VAL 29 -13.464 -1.946 -4.058 209 HA VAL 29 HA VAL 29 -12.238 -4.640 -3.827 210 HB VAL 29 HB VAL 29 -10.683 -3.463 -2.226 211 1HG1 VAL 29 2HG1 VAL 29 -11.000 -2.305 -5.012 212 2HG1 VAL 29 1HG1 VAL 29 -9.556 -2.127 -4.014 213 3HG1 VAL 29 3HG1 VAL 29 -10.054 -3.726 -4.569 214 1HG2 VAL 29 3HG2 VAL 29 -12.658 -1.599 -2.048 215 2HG2 VAL 29 2HG2 VAL 29 -10.973 -1.269 -1.648 216 3HG2 VAL 29 1HG2 VAL 29 -11.605 -0.831 -3.235 217 H LYS 30 H LYS 30 -11.629 -4.849 -1.197 218 HA LYS 30 HA LYS 30 -14.074 -4.338 0.388 219 1HB LYS 30 2HB LYS 30 -13.352 -6.939 -0.744 220 2HB LYS 30 1HB LYS 30 -13.524 -6.990 1.011 221 1HG LYS 30 2HG LYS 30 -15.627 -5.414 -0.275 222 2HG LYS 30 1HG LYS 30 -15.609 -7.093 -0.818 223 1HD LYS 30 2HD LYS 30 -15.309 -7.554 1.790 224 2HD LYS 30 1HD LYS 30 -16.112 -5.988 1.913 225 1HE LYS 30 2HE LYS 30 -18.100 -6.907 1.398 226 2HE LYS 30 1HE LYS 30 -17.433 -7.621 -0.072 227 1HZ LYS 30 3HZ LYS 30 -16.758 -8.856 2.493 228 2HZ LYS 30 2HZ LYS 30 -18.323 -9.103 1.881 229 3HZ LYS 30 1HZ LYS 30 -16.967 -9.572 0.971 230 H ARG 31 H ARG 31 -13.569 -4.025 2.537 231 HA ARG 31 HA ARG 31 -11.044 -3.420 3.444 232 1HB ARG 31 2HB ARG 31 -13.201 -3.129 4.721 233 2HB ARG 31 1HB ARG 31 -13.102 -4.836 5.157 234 1HG ARG 31 2HG ARG 31 -10.564 -3.571 5.662 235 2HG ARG 31 1HG ARG 31 -11.845 -2.655 6.456 236 1HD ARG 31 2HD ARG 31 -11.460 -5.654 6.695 237 2HD ARG 31 1HD ARG 31 -10.956 -4.474 7.905 238 HE ARG 31 HE ARG 31 -13.591 -3.874 7.671 239 1HH1 ARG 31 1HH2 ARG 31 -13.807 -6.706 6.492 240 2HH1 ARG 31 2HH2 ARG 31 -14.260 -7.606 7.901 241 1HH2 ARG 31 1HH1 ARG 31 -14.005 -6.694 9.954 242 2HH2 ARG 31 2HH1 ARG 31 -13.357 -5.097 10.118 243 H ASP 32 H ASP 32 -9.202 -4.568 3.816 244 HA ASP 32 HA ASP 32 -7.802 -6.398 4.304 245 1HB ASP 32 2HB ASP 32 -9.744 -6.918 5.953 246 2HB ASP 32 1HB ASP 32 -10.253 -8.098 4.746 247 H GLU 33 H GLU 33 -8.156 -5.878 1.700 248 HA GLU 33 HA GLU 33 -8.308 -8.594 0.503 249 1HB GLU 33 2HB GLU 33 -10.492 -7.190 0.225 250 2HB GLU 33 1HB GLU 33 -9.548 -6.258 -0.937 251 1HG GLU 33 2HG GLU 33 -10.209 -7.839 -2.429 252 2HG GLU 33 1HG GLU 33 -8.953 -8.830 -1.684 253 H LEU 34 H LEU 34 -6.420 -8.902 -0.562 254 HA LEU 34 HA LEU 34 -4.357 -7.117 -0.924 255 1HB LEU 34 2HB LEU 34 -4.221 -9.543 -1.450 256 2HB LEU 34 1HB LEU 34 -5.151 -9.256 -2.922 257 HG LEU 34 HG LEU 34 -3.409 -7.747 -3.758 258 1HD1 LEU 34 3HD1 LEU 34 -2.193 -8.316 -1.053 259 2HD1 LEU 34 2HD1 LEU 34 -1.207 -7.765 -2.408 260 3HD1 LEU 34 1HD1 LEU 34 -2.517 -6.752 -1.801 261 1HD2 LEU 34 2HD2 LEU 34 -2.575 -10.495 -2.822 262 2HD2 LEU 34 1HD2 LEU 34 -3.041 -9.982 -4.444 263 3HD2 LEU 34 3HD2 LEU 34 -1.486 -9.488 -3.777 264 H ILE 35 H ILE 35 -3.794 -5.538 -2.442 265 HA ILE 35 HA ILE 35 -5.824 -4.949 -4.556 266 HB ILE 35 HB ILE 35 -4.342 -2.835 -2.976 267 1HG1 ILE 35 2HG1 ILE 35 -5.851 -4.189 -1.508 268 2HG1 ILE 35 1HG1 ILE 35 -6.394 -2.521 -1.688 269 1HG2 ILE 35 3HG2 ILE 35 -6.265 -2.902 -5.214 270 2HG2 ILE 35 2HG2 ILE 35 -6.667 -1.754 -3.938 271 3HG2 ILE 35 1HG2 ILE 35 -5.111 -1.648 -4.758 272 1HD1 ILE 35 3HD1 ILE 35 -7.619 -3.784 -3.819 273 2HD1 ILE 35 2HD1 ILE 35 -7.690 -5.009 -2.552 274 3HD1 ILE 35 1HD1 ILE 35 -8.390 -3.414 -2.277 275 H VAL 36 H VAL 36 -2.468 -4.490 -3.452 276 HA VAL 36 HA VAL 36 -1.525 -4.864 -6.203 277 HB VAL 36 HB VAL 36 -2.106 -2.406 -6.023 278 1HG1 VAL 36 2HG1 VAL 36 0.106 -2.552 -3.956 279 2HG1 VAL 36 1HG1 VAL 36 -0.436 -1.046 -4.698 280 3HG1 VAL 36 3HG1 VAL 36 -1.548 -1.993 -3.711 281 1HG2 VAL 36 3HG2 VAL 36 -0.365 -3.329 -7.578 282 2HG2 VAL 36 2HG2 VAL 36 -0.032 -1.674 -7.068 283 3HG2 VAL 36 1HG2 VAL 36 0.850 -3.016 -6.339 284 H ASP 37 H ASP 37 0.642 -5.543 -6.232 285 HA ASP 37 HA ASP 37 1.822 -6.024 -3.538 286 1HB ASP 37 2HB ASP 37 1.997 -7.408 -6.189 287 2HB ASP 37 1HB ASP 37 3.366 -7.537 -5.082 288 H ILE 38 H ILE 38 4.040 -5.493 -3.159 289 HA ILE 38 HA ILE 38 5.103 -3.433 -5.049 290 HB ILE 38 HB ILE 38 5.828 -3.802 -2.129 291 1HG1 ILE 38 2HG1 ILE 38 3.996 -1.664 -3.213 292 2HG1 ILE 38 1HG1 ILE 38 3.353 -3.225 -2.700 293 1HG2 ILE 38 2HG2 ILE 38 6.898 -2.240 -4.259 294 2HG2 ILE 38 1HG2 ILE 38 6.079 -1.135 -3.154 295 3HG2 ILE 38 3HG2 ILE 38 7.350 -2.201 -2.555 296 1HD1 ILE 38 1HD1 ILE 38 5.202 -1.692 -0.889 297 2HD1 ILE 38 3HD1 ILE 38 3.488 -1.281 -0.955 298 3HD1 ILE 38 2HD1 ILE 38 3.988 -2.901 -0.468 299 H GLU 39 H GLU 39 7.362 -3.509 -5.558 300 HA GLU 39 HA GLU 39 8.841 -5.931 -4.672 301 1HB GLU 39 2HB GLU 39 7.596 -5.759 -7.180 302 2HB GLU 39 1HB GLU 39 9.295 -5.405 -7.495 303 1HG GLU 39 2HG GLU 39 9.846 -7.458 -6.079 304 2HG GLU 39 1HG GLU 39 8.131 -7.859 -6.167 305 H THR 40 H THR 40 10.387 -4.721 -3.570 306 HA THR 40 HA THR 40 11.657 -2.424 -4.926 307 HB THR 40 HB THR 40 12.647 -3.495 -2.314 308 HG1 THR 40 HG1 THR 40 10.193 -2.132 -2.715 309 1HG2 THR 40 3HG2 THR 40 12.579 -0.974 -3.826 310 2HG2 THR 40 2HG2 THR 40 12.212 -0.788 -2.111 311 3HG2 THR 40 1HG2 THR 40 13.732 -1.528 -2.612 312 H ASP 41 H ASP 41 14.254 -2.519 -4.284 313 HA ASP 41 HA ASP 41 15.526 -4.088 -6.151 314 1HB ASP 41 2HB ASP 41 16.367 -2.419 -4.115 315 2HB ASP 41 1HB ASP 41 17.068 -3.971 -3.659 316 H LYS 42 H LYS 42 14.820 -5.039 -2.785 317 HA LYS 42 HA LYS 42 14.716 -7.853 -3.620 318 1HB LYS 42 2HB LYS 42 16.954 -6.714 -1.989 319 2HB LYS 42 1HB LYS 42 16.353 -8.321 -1.580 320 1HG LYS 42 2HG LYS 42 17.519 -9.189 -3.295 321 2HG LYS 42 1HG LYS 42 16.598 -8.188 -4.419 322 1HD LYS 42 2HD LYS 42 18.610 -7.226 -4.869 323 2HD LYS 42 1HD LYS 42 18.335 -6.352 -3.361 324 1HE LYS 42 2HE LYS 42 19.395 -8.946 -2.742 325 2HE LYS 42 1HE LYS 42 20.427 -8.185 -3.951 326 1HZ LYS 42 2HZ LYS 42 19.987 -6.137 -2.315 327 2HZ LYS 42 1HZ LYS 42 19.917 -7.417 -1.199 328 3HZ LYS 42 3HZ LYS 42 21.304 -7.197 -2.149 329 H VAL 43 H VAL 43 12.985 -5.743 -2.361 330 HA VAL 43 HA VAL 43 12.263 -7.301 0.088 331 HB VAL 43 HB VAL 43 11.810 -4.327 -0.181 332 1HG1 VAL 43 3HG1 VAL 43 10.675 -5.965 1.542 333 2HG1 VAL 43 2HG1 VAL 43 12.238 -5.880 2.354 334 3HG1 VAL 43 1HG1 VAL 43 11.298 -4.411 2.094 335 1HG2 VAL 43 1HG2 VAL 43 14.251 -4.846 -0.397 336 2HG2 VAL 43 3HG2 VAL 43 13.868 -3.962 1.080 337 3HG2 VAL 43 2HG2 VAL 43 14.171 -5.698 1.145 338 H VAL 44 H VAL 44 10.449 -8.380 -0.586 339 HA VAL 44 HA VAL 44 8.523 -7.031 -2.376 340 HB VAL 44 HB VAL 44 8.552 -9.827 -1.196 341 1HG1 VAL 44 1HG1 VAL 44 6.280 -8.786 -1.803 342 2HG1 VAL 44 3HG1 VAL 44 6.846 -8.806 -3.473 343 3HG1 VAL 44 2HG1 VAL 44 6.680 -10.317 -2.580 344 1HG2 VAL 44 3HG2 VAL 44 10.013 -8.647 -3.326 345 2HG2 VAL 44 2HG2 VAL 44 9.914 -10.358 -2.910 346 3HG2 VAL 44 1HG2 VAL 44 8.774 -9.664 -4.063 347 H MET 45 H MET 45 6.666 -6.094 -1.638 348 HA MET 45 HA MET 45 5.640 -6.863 1.044 349 1HB MET 45 2HB MET 45 6.574 -4.137 0.188 350 2HB MET 45 1HB MET 45 5.248 -4.281 1.340 351 1HG MET 45 2HG MET 45 7.972 -5.574 1.656 352 2HG MET 45 1HG MET 45 7.441 -4.111 2.486 353 1HE MET 45 2HE MET 45 8.478 -5.876 4.381 354 2HE MET 45 1HE MET 45 7.595 -7.290 4.953 355 3HE MET 45 3HE MET 45 8.373 -7.311 3.365 356 H GLU 46 H GLU 46 3.634 -7.586 0.465 357 HA GLU 46 HA GLU 46 2.170 -6.685 -1.819 358 1HB GLU 46 2HB GLU 46 0.820 -7.795 0.633 359 2HB GLU 46 1HB GLU 46 0.433 -8.074 -1.066 360 1HG GLU 46 2HG GLU 46 2.774 -9.170 -1.210 361 2HG GLU 46 1HG GLU 46 2.707 -9.217 0.552 362 H VAL 47 H VAL 47 -0.122 -5.677 -1.519 363 HA VAL 47 HA VAL 47 -0.059 -3.560 0.581 364 HB VAL 47 HB VAL 47 -0.837 -3.041 -2.301 365 1HG1 VAL 47 1HG1 VAL 47 -0.985 -1.568 0.208 366 2HG1 VAL 47 3HG1 VAL 47 -0.044 -0.695 -1.002 367 3HG1 VAL 47 2HG1 VAL 47 -1.702 -1.183 -1.357 368 1HG2 VAL 47 3HG2 VAL 47 1.800 -2.895 -0.887 369 2HG2 VAL 47 2HG2 VAL 47 1.451 -3.339 -2.558 370 3HG2 VAL 47 1HG2 VAL 47 1.414 -1.645 -2.069 371 H LEU 48 H LEU 48 -1.794 -4.306 1.771 372 HA LEU 48 HA LEU 48 -4.254 -5.147 0.344 373 1HB LEU 48 2HB LEU 48 -3.022 -5.782 2.874 374 2HB LEU 48 1HB LEU 48 -4.663 -5.192 3.145 375 HG LEU 48 HG LEU 48 -4.895 -6.868 0.923 376 1HD1 LEU 48 1HD1 LEU 48 -2.594 -7.630 2.517 377 2HD1 LEU 48 3HD1 LEU 48 -3.829 -8.888 2.562 378 3HD1 LEU 48 2HD1 LEU 48 -3.189 -8.337 1.014 379 1HD2 LEU 48 1HD2 LEU 48 -5.392 -7.421 3.867 380 2HD2 LEU 48 3HD2 LEU 48 -6.516 -6.645 2.752 381 3HD2 LEU 48 2HD2 LEU 48 -6.090 -8.344 2.536 382 H ALA 49 H ALA 49 -6.316 -4.147 0.867 383 HA ALA 49 HA ALA 49 -6.056 -1.251 1.301 384 1HB ALA 49 2HB ALA 49 -8.256 -3.101 0.435 385 2HB ALA 49 1HB ALA 49 -8.667 -1.489 1.020 386 3HB ALA 49 3HB ALA 49 -7.613 -1.676 -0.382 387 H GLU 50 H GLU 50 -6.884 -0.134 3.088 388 HA GLU 50 HA GLU 50 -7.505 -1.836 5.448 389 1HB GLU 50 2HB GLU 50 -6.018 0.592 5.044 390 2HB GLU 50 1HB GLU 50 -7.339 0.908 6.171 391 1HG GLU 50 2HG GLU 50 -5.588 -1.529 6.472 392 2HG GLU 50 1HG GLU 50 -5.109 0.027 7.152 393 H ALA 51 H ALA 51 -9.315 -0.749 3.103 394 HA ALA 51 HA ALA 51 -11.732 -0.624 4.602 395 1HB ALA 51 3HB ALA 51 -10.286 1.794 4.694 396 2HB ALA 51 2HB ALA 51 -11.584 2.062 3.530 397 3HB ALA 51 1HB ALA 51 -11.966 1.544 5.172 398 H ASP 52 H ASP 52 -13.476 -0.806 3.192 399 HA ASP 52 HA ASP 52 -12.972 -1.444 0.466 400 1HB ASP 52 2HB ASP 52 -14.955 -2.375 1.167 401 2HB ASP 52 1HB ASP 52 -15.404 -0.977 2.138 402 H GLY 53 H GLY 53 -14.138 -0.240 -1.375 403 1HA GLY 53 2HA GLY 53 -14.908 2.358 -1.564 404 2HA GLY 53 1HA GLY 53 -13.164 2.540 -1.344 405 H VAL 54 H VAL 54 -14.005 3.497 -3.677 406 HA VAL 54 HA VAL 54 -13.516 1.322 -5.671 407 HB VAL 54 HB VAL 54 -14.998 3.951 -5.901 408 1HG1 VAL 54 1HG1 VAL 54 -13.560 3.572 -7.895 409 2HG1 VAL 54 3HG1 VAL 54 -14.296 1.983 -8.100 410 3HG1 VAL 54 2HG1 VAL 54 -15.275 3.439 -8.281 411 1HG2 VAL 54 3HG2 VAL 54 -16.036 1.732 -4.996 412 2HG2 VAL 54 2HG2 VAL 54 -16.911 2.624 -6.242 413 3HG2 VAL 54 1HG2 VAL 54 -15.961 1.202 -6.677 414 H ILE 55 H ILE 55 -11.571 1.408 -6.678 415 HA ILE 55 HA ILE 55 -9.628 3.421 -6.135 416 HB ILE 55 HB ILE 55 -9.731 1.559 -8.527 417 1HG1 ILE 55 2HG1 ILE 55 -10.011 0.492 -6.216 418 2HG1 ILE 55 1HG1 ILE 55 -8.644 -0.082 -7.169 419 1HG2 ILE 55 1HG2 ILE 55 -7.570 3.175 -7.179 420 2HG2 ILE 55 3HG2 ILE 55 -7.176 1.743 -8.131 421 3HG2 ILE 55 2HG2 ILE 55 -7.989 3.112 -8.890 422 1HD1 ILE 55 3HD1 ILE 55 -7.969 2.264 -5.560 423 2HD1 ILE 55 2HD1 ILE 55 -8.511 0.906 -4.574 424 3HD1 ILE 55 1HD1 ILE 55 -7.146 0.709 -5.672 425 H ALA 56 H ALA 56 -8.628 4.855 -7.843 426 HA ALA 56 HA ALA 56 -10.799 6.102 -9.470 427 1HB ALA 56 2HB ALA 56 -9.649 7.508 -7.723 428 2HB ALA 56 1HB ALA 56 -8.150 7.315 -8.632 429 3HB ALA 56 3HB ALA 56 -9.520 8.157 -9.358 430 H GLU 57 H GLU 57 -7.229 5.804 -9.678 431 HA GLU 57 HA GLU 57 -7.326 4.456 -12.230 432 1HB GLU 57 2HB GLU 57 -6.447 6.300 -13.620 433 2HB GLU 57 1HB GLU 57 -8.047 6.692 -12.989 434 1HG GLU 57 2HG GLU 57 -7.233 8.505 -11.937 435 2HG GLU 57 1HG GLU 57 -6.041 7.515 -11.093 436 H ILE 58 H ILE 58 -5.338 3.520 -12.596 437 HA ILE 58 HA ILE 58 -3.209 4.114 -10.635 438 HB ILE 58 HB ILE 58 -3.319 1.994 -12.803 439 1HG1 ILE 58 2HG1 ILE 58 -5.135 1.594 -11.275 440 2HG1 ILE 58 1HG1 ILE 58 -3.831 0.498 -10.807 441 1HG2 ILE 58 2HG2 ILE 58 -1.087 2.808 -11.645 442 2HG2 ILE 58 1HG2 ILE 58 -1.684 1.848 -10.291 443 3HG2 ILE 58 3HG2 ILE 58 -1.397 1.085 -11.855 444 1HD1 ILE 58 3HD1 ILE 58 -3.099 2.188 -9.106 445 2HD1 ILE 58 2HD1 ILE 58 -4.520 3.151 -9.511 446 3HD1 ILE 58 1HD1 ILE 58 -4.714 1.548 -8.801 447 H VAL 59 H VAL 59 -1.205 4.976 -11.196 448 HA VAL 59 HA VAL 59 -1.082 6.295 -13.837 449 HB VAL 59 HB VAL 59 0.759 6.456 -11.430 450 1HG1 VAL 59 1HG1 VAL 59 1.870 6.942 -13.613 451 2HG1 VAL 59 3HG1 VAL 59 0.652 8.178 -13.924 452 3HG1 VAL 59 2HG1 VAL 59 1.769 8.362 -12.572 453 1HG2 VAL 59 1HG2 VAL 59 -1.631 7.999 -12.375 454 2HG2 VAL 59 3HG2 VAL 59 -1.168 7.553 -10.733 455 3HG2 VAL 59 2HG2 VAL 59 -0.336 8.872 -11.557 456 H LYS 60 H LYS 60 1.269 4.429 -11.870 457 HA LYS 60 HA LYS 60 2.644 3.625 -14.358 458 1HB LYS 60 2HB LYS 60 3.386 3.960 -11.598 459 2HB LYS 60 1HB LYS 60 3.772 2.316 -12.105 460 1HG LYS 60 2HG LYS 60 5.665 3.791 -12.587 461 2HG LYS 60 1HG LYS 60 4.944 3.235 -14.098 462 1HD LYS 60 2HD LYS 60 5.268 5.575 -14.390 463 2HD LYS 60 1HD LYS 60 3.549 5.387 -14.043 464 1HE LYS 60 2HE LYS 60 3.712 6.558 -12.118 465 2HE LYS 60 1HE LYS 60 5.141 5.658 -11.609 466 1HZ LYS 60 3HZ LYS 60 6.047 7.178 -13.665 467 2HZ LYS 60 2HZ LYS 60 4.952 8.220 -12.886 468 3HZ LYS 60 1HZ LYS 60 6.241 7.534 -12.017 469 H ASN 61 H ASN 61 3.013 1.359 -14.860 470 HA ASN 61 HA ASN 61 0.769 -0.363 -13.920 471 1HB ASN 61 2HB ASN 61 2.611 -0.753 -16.298 472 2HB ASN 61 1HB ASN 61 1.152 -1.676 -15.936 473 1HD2 ASN 61 2HD2 ASN 61 -0.728 1.614 -16.431 474 2HD2 ASN 61 1HD2 ASN 61 -0.354 0.737 -15.017 475 H GLU 62 H GLU 62 1.269 -2.645 -13.453 476 HA GLU 62 HA GLU 62 3.480 -2.962 -11.686 477 1HB GLU 62 2HB GLU 62 2.935 -5.420 -11.850 478 2HB GLU 62 1HB GLU 62 1.547 -4.402 -11.467 479 1HG GLU 62 2HG GLU 62 0.571 -5.542 -13.188 480 2HG GLU 62 1HG GLU 62 1.436 -4.363 -14.182 481 H GLY 63 H GLY 63 5.518 -3.903 -11.987 482 1HA GLY 63 2HA GLY 63 7.173 -5.125 -13.269 483 2HA GLY 63 1HA GLY 63 6.221 -4.822 -14.728 484 H ASP 64 H ASP 64 6.037 -1.937 -13.373 485 HA ASP 64 HA ASP 64 8.464 -0.967 -14.792 486 1HB ASP 64 2HB ASP 64 6.733 0.257 -15.679 487 2HB ASP 64 1HB ASP 64 5.761 0.167 -14.211 488 H THR 65 H THR 65 9.428 1.075 -13.741 489 HA THR 65 HA THR 65 9.858 0.465 -10.854 490 HB THR 65 HB THR 65 11.489 2.236 -12.700 491 HG1 THR 65 HG1 THR 65 11.508 0.026 -13.299 492 1HG2 THR 65 3HG2 THR 65 11.602 2.635 -10.197 493 2HG2 THR 65 2HG2 THR 65 12.240 0.998 -10.044 494 3HG2 THR 65 1HG2 THR 65 13.136 2.212 -10.955 495 H VAL 66 H VAL 66 9.637 2.117 -9.286 496 HA VAL 66 HA VAL 66 8.460 4.686 -10.255 497 HB VAL 66 HB VAL 66 7.004 4.518 -8.114 498 1HG1 VAL 66 2HG1 VAL 66 6.654 3.615 -10.797 499 2HG1 VAL 66 1HG1 VAL 66 5.833 2.470 -9.738 500 3HG1 VAL 66 3HG1 VAL 66 5.418 4.183 -9.674 501 1HG2 VAL 66 1HG2 VAL 66 8.482 2.277 -7.659 502 2HG2 VAL 66 3HG2 VAL 66 6.863 2.522 -7.003 503 3HG2 VAL 66 2HG2 VAL 66 7.084 1.575 -8.474 504 H LEU 67 H LEU 67 8.658 6.438 -8.620 505 HA LEU 67 HA LEU 67 11.231 6.195 -7.185 506 1HB LEU 67 2HB LEU 67 9.406 8.534 -7.790 507 2HB LEU 67 1HB LEU 67 10.851 8.679 -6.791 508 HG LEU 67 HG LEU 67 11.087 7.368 -9.474 509 1HD1 LEU 67 3HD1 LEU 67 9.790 9.591 -9.651 510 2HD1 LEU 67 2HD1 LEU 67 11.291 10.362 -9.138 511 3HD1 LEU 67 1HD1 LEU 67 11.246 9.430 -10.634 512 1HD2 LEU 67 2HD2 LEU 67 12.806 8.317 -7.373 513 2HD2 LEU 67 1HD2 LEU 67 13.250 7.458 -8.849 514 3HD2 LEU 67 3HD2 LEU 67 13.158 9.219 -8.846 515 H SER 68 H SER 68 11.428 6.453 -4.931 516 HA SER 68 HA SER 68 9.454 5.408 -3.252 517 1HB SER 68 2HB SER 68 11.527 5.579 -2.210 518 2HB SER 68 1HB SER 68 11.802 7.217 -2.795 519 HG SER 68 HG SER 68 10.759 7.981 -1.126 520 H GLY 69 H GLY 69 7.412 6.162 -2.976 521 1HA GLY 69 2HA GLY 69 5.862 7.763 -2.058 522 2HA GLY 69 1HA GLY 69 7.046 9.037 -2.349 523 H GLU 70 H GLU 70 6.463 6.744 -4.883 524 HA GLU 70 HA GLU 70 5.443 8.903 -6.594 525 1HB GLU 70 2HB GLU 70 7.068 7.320 -7.520 526 2HB GLU 70 1HB GLU 70 5.985 5.973 -7.166 527 1HG GLU 70 2HG GLU 70 5.673 6.497 -9.485 528 2HG GLU 70 1HG GLU 70 4.260 7.125 -8.638 529 H LEU 71 H LEU 71 3.315 9.203 -7.109 530 HA LEU 71 HA LEU 71 1.260 7.780 -5.692 531 1HB LEU 71 2HB LEU 71 1.073 10.135 -6.579 532 2HB LEU 71 1HB LEU 71 0.928 9.452 -8.198 533 HG LEU 71 HG LEU 71 -0.868 8.198 -6.242 534 1HD1 LEU 71 2HD1 LEU 71 -0.610 10.851 -5.779 535 2HD1 LEU 71 1HD1 LEU 71 -1.799 10.893 -7.080 536 3HD1 LEU 71 3HD1 LEU 71 -2.140 9.993 -5.602 537 1HD2 LEU 71 1HD2 LEU 71 -1.013 9.370 -9.017 538 2HD2 LEU 71 3HD2 LEU 71 -1.244 7.695 -8.516 539 3HD2 LEU 71 2HD2 LEU 71 -2.482 8.901 -8.161 540 H LEU 72 H LEU 72 0.720 5.697 -6.126 541 HA LEU 72 HA LEU 72 1.057 4.670 -8.892 542 1HB LEU 72 2HB LEU 72 0.154 2.991 -6.568 543 2HB LEU 72 1HB LEU 72 1.118 2.524 -7.970 544 HG LEU 72 HG LEU 72 2.111 4.460 -5.867 545 1HD1 LEU 72 2HD1 LEU 72 1.648 1.700 -5.539 546 2HD1 LEU 72 1HD1 LEU 72 3.379 1.856 -5.835 547 3HD1 LEU 72 3HD1 LEU 72 2.629 2.740 -4.506 548 1HD2 LEU 72 1HD2 LEU 72 3.039 4.117 -8.355 549 2HD2 LEU 72 3HD2 LEU 72 4.128 4.383 -6.993 550 3HD2 LEU 72 2HD2 LEU 72 3.851 2.749 -7.593 551 H GLY 73 H GLY 73 -1.395 5.639 -6.639 552 1HA GLY 73 2HA GLY 73 -3.470 5.636 -8.576 553 2HA GLY 73 1HA GLY 73 -3.605 4.140 -7.643 554 H LYS 74 H LYS 74 -5.575 6.203 -7.583 555 HA LYS 74 HA LYS 74 -5.271 7.129 -4.753 556 1HB LYS 74 2HB LYS 74 -6.321 8.553 -7.182 557 2HB LYS 74 1HB LYS 74 -6.963 8.961 -5.590 558 1HG LYS 74 2HG LYS 74 -4.106 8.782 -5.407 559 2HG LYS 74 1HG LYS 74 -4.521 9.838 -6.759 560 1HD LYS 74 2HD LYS 74 -6.080 10.209 -4.251 561 2HD LYS 74 1HD LYS 74 -4.395 10.730 -4.220 562 1HE LYS 74 2HE LYS 74 -4.810 12.502 -5.563 563 2HE LYS 74 1HE LYS 74 -5.776 11.531 -6.674 564 1HZ LYS 74 3HZ LYS 74 -7.590 11.635 -4.998 565 2HZ LYS 74 2HZ LYS 74 -6.660 12.751 -4.119 566 3HZ LYS 74 1HZ LYS 74 -7.196 13.135 -5.684 567 H LEU 75 H LEU 75 -6.931 6.543 -3.405 568 HA LEU 75 HA LEU 75 -9.114 4.924 -4.578 569 1HB LEU 75 2HB LEU 75 -7.732 4.238 -2.516 570 2HB LEU 75 1HB LEU 75 -8.656 5.459 -1.640 571 HG LEU 75 HG LEU 75 -10.703 4.214 -2.827 572 1HD1 LEU 75 3HD1 LEU 75 -8.395 2.308 -2.901 573 2HD1 LEU 75 2HD1 LEU 75 -9.991 1.671 -2.507 574 3HD1 LEU 75 1HD1 LEU 75 -9.727 2.499 -4.041 575 1HD2 LEU 75 1HD2 LEU 75 -9.197 3.587 -0.301 576 2HD2 LEU 75 3HD2 LEU 75 -10.768 4.365 -0.494 577 3HD2 LEU 75 2HD2 LEU 75 -10.612 2.624 -0.729 578 H THR 76 H THR 76 -11.347 5.400 -4.128 579 HA THR 76 HA THR 76 -11.822 8.294 -3.584 580 HB THR 76 HB THR 76 -12.599 7.118 -5.764 581 HG1 THR 76 HG1 THR 76 -14.219 8.554 -5.868 582 1HG2 THR 76 2HG2 THR 76 -13.629 5.219 -4.320 583 2HG2 THR 76 1HG2 THR 76 -14.963 6.346 -4.080 584 3HG2 THR 76 3HG2 THR 76 -14.544 5.809 -5.707 585 H GLU 77 H GLU 77 -14.581 7.972 -3.079 586 HA GLU 77 HA GLU 77 -14.489 7.402 -0.231 587 1HB GLU 77 2HB GLU 77 -16.902 7.896 -2.003 588 2HB GLU 77 1HB GLU 77 -16.859 8.006 -0.244 589 1HG GLU 77 2HG GLU 77 -14.991 9.655 -1.941 590 2HG GLU 77 1HG GLU 77 -16.631 10.207 -1.601 591 H GLY 78 H GLY 78 -16.557 6.005 0.566 592 1HA GLY 78 2HA GLY 78 -15.992 3.290 -0.351 593 2HA GLY 78 1HA GLY 78 -17.126 3.737 0.925 594 H GLY 79 HN GLY 79 -18.676 5.593 -0.634 595 1HA GLY 79 2HA GLY 79 -19.607 4.658 -3.110 596 2HA GLY 79 1HA GLY 79 -20.502 3.751 -1.890 No H/Q in entry = 596 Start of MODEL 17 1 1H ALA 1 2H ALA 1 -10.456 7.741 1.493 2 2H ALA 1 1H ALA 1 -11.500 9.078 1.401 3 3H ALA 1 3H ALA 1 -11.275 8.085 0.044 4 HA ALA 1 HA ALA 1 -9.654 9.402 -0.641 5 1HB ALA 1 3HB ALA 1 -9.940 10.716 2.079 6 2HB ALA 1 2HB ALA 1 -8.993 11.370 0.743 7 3HB ALA 1 1HB ALA 1 -10.743 11.213 0.589 8 H ILE 2 H ILE 2 -8.474 7.234 -0.313 9 HA ILE 2 HA ILE 2 -6.288 7.572 1.702 10 HB ILE 2 HB ILE 2 -7.115 4.980 0.376 11 1HG1 ILE 2 2HG1 ILE 2 -7.937 5.974 3.121 12 2HG1 ILE 2 1HG1 ILE 2 -8.987 6.049 1.705 13 1HG2 ILE 2 3HG2 ILE 2 -4.821 5.342 1.515 14 2HG2 ILE 2 2HG2 ILE 2 -5.730 5.400 3.026 15 3HG2 ILE 2 1HG2 ILE 2 -5.770 3.947 2.028 16 1HD1 ILE 2 1HD1 ILE 2 -8.310 3.476 1.520 17 2HD1 ILE 2 3HD1 ILE 2 -8.059 3.668 3.255 18 3HD1 ILE 2 2HD1 ILE 2 -9.642 4.001 2.550 19 H ASP 3 H ASP 3 -4.558 8.434 0.636 20 HA ASP 3 HA ASP 3 -4.101 7.940 -2.203 21 1HB ASP 3 2HB ASP 3 -3.489 10.070 -0.925 22 2HB ASP 3 1HB ASP 3 -2.142 9.153 -0.242 23 H ILE 4 H ILE 4 -3.039 6.197 -3.003 24 HA ILE 4 HA ILE 4 -1.460 4.525 -1.113 25 HB ILE 4 HB ILE 4 -2.581 3.947 -3.871 26 1HG1 ILE 4 2HG1 ILE 4 -4.275 3.984 -2.109 27 2HG1 ILE 4 1HG1 ILE 4 -3.966 2.312 -2.580 28 1HG2 ILE 4 3HG2 ILE 4 -0.932 2.241 -1.984 29 2HG2 ILE 4 2HG2 ILE 4 -1.819 1.600 -3.367 30 3HG2 ILE 4 1HG2 ILE 4 -0.495 2.739 -3.618 31 1HD1 ILE 4 3HD1 ILE 4 -2.299 2.199 -0.666 32 2HD1 ILE 4 2HD1 ILE 4 -2.929 3.758 -0.132 33 3HD1 ILE 4 1HD1 ILE 4 -3.989 2.349 -0.181 34 H LYS 5 H LYS 5 0.651 5.177 -1.083 35 HA LYS 5 HA LYS 5 1.971 5.623 -3.731 36 1HB LYS 5 2HB LYS 5 2.519 7.036 -1.102 37 2HB LYS 5 1HB LYS 5 3.474 7.236 -2.571 38 1HG LYS 5 2HG LYS 5 1.018 7.701 -3.585 39 2HG LYS 5 1HG LYS 5 0.752 8.247 -1.930 40 1HD LYS 5 2HD LYS 5 3.300 9.222 -2.834 41 2HD LYS 5 1HD LYS 5 2.068 9.644 -4.023 42 1HE LYS 5 2HE LYS 5 1.191 11.207 -2.659 43 2HE LYS 5 1HE LYS 5 1.069 10.051 -1.332 44 1HZ LYS 5 1HZ LYS 5 3.764 10.873 -1.886 45 2HZ LYS 5 3HZ LYS 5 2.763 12.163 -1.429 46 3HZ LYS 5 2HZ LYS 5 2.929 10.816 -0.407 47 H ALA 6 H ALA 6 4.382 5.188 -3.605 48 HA ALA 6 HA ALA 6 4.819 2.605 -2.336 49 1HB ALA 6 3HB ALA 6 6.136 4.263 -4.333 50 2HB ALA 6 2HB ALA 6 7.300 3.575 -3.200 51 3HB ALA 6 1HB ALA 6 6.218 2.515 -4.105 52 HA PRO 7 HA PRO 7 6.765 3.934 1.363 53 1HB PRO 7 2HB PRO 7 8.633 1.946 1.693 54 2HB PRO 7 1HB PRO 7 6.898 1.712 1.963 55 1HG PRO 7 2HG PRO 7 8.584 0.783 -0.315 56 2HG PRO 7 1HG PRO 7 7.082 0.094 0.324 57 1HD PRO 7 2HD PRO 7 7.316 1.690 -2.004 58 2HD PRO 7 1HD PRO 7 5.802 1.271 -1.169 59 H THR 8 H THR 8 8.372 5.405 1.866 60 HA THR 8 HA THR 8 10.224 6.338 -0.068 61 HB THR 8 HB THR 8 10.221 6.582 2.952 62 HG1 THR 8 HG1 THR 8 8.545 7.566 1.615 63 1HG2 THR 8 3HG2 THR 8 12.511 6.837 1.922 64 2HG2 THR 8 2HG2 THR 8 11.866 8.176 0.973 65 3HG2 THR 8 1HG2 THR 8 11.913 8.285 2.732 66 H PHE 9 H PHE 9 12.277 5.690 -0.611 67 HA PHE 9 HA PHE 9 13.298 3.235 0.704 68 1HB PHE 9 2HB PHE 9 14.605 4.562 -1.658 69 2HB PHE 9 1HB PHE 9 14.535 2.846 -1.243 70 HD1 PHE 9 HD2 PHE 9 11.855 2.122 -0.860 71 HD2 PHE 9 HD1 PHE 9 13.398 5.069 -3.581 72 HE1 PHE 9 HE2 PHE 9 9.843 1.856 -2.288 73 HE2 PHE 9 HE1 PHE 9 11.387 4.803 -5.009 74 HZ PHE 9 HZ PHE 9 9.610 3.197 -4.364 75 HA PRO 10 HA PRO 10 16.406 5.470 2.864 76 1HB PRO 10 2HB PRO 10 18.137 3.380 3.301 77 2HB PRO 10 1HB PRO 10 16.621 3.598 4.193 78 1HG PRO 10 2HG PRO 10 17.264 1.645 2.032 79 2HG PRO 10 1HG PRO 10 16.076 1.520 3.340 80 1HD PRO 10 2HD PRO 10 15.511 2.164 0.640 81 2HD PRO 10 1HD PRO 10 14.401 2.356 2.016 82 H GLU 11 H GLU 11 19.140 5.051 2.812 83 HA GLU 11 HA GLU 11 19.887 6.222 0.268 84 1HB GLU 11 2HB GLU 11 21.102 5.796 2.859 85 2HB GLU 11 1HB GLU 11 22.220 5.327 1.578 86 1HG GLU 11 2HG GLU 11 22.509 7.467 0.895 87 2HG GLU 11 1HG GLU 11 20.785 7.823 1.007 88 H SER 12 H SER 12 20.597 3.077 1.820 89 HA SER 12 HA SER 12 22.187 1.867 -0.069 90 1HB SER 12 2HB SER 12 21.343 0.759 2.001 91 2HB SER 12 1HB SER 12 19.773 0.556 1.218 92 HG SER 12 HG SER 12 20.596 -1.178 0.381 93 H ILE 13 H ILE 13 18.609 1.958 -0.211 94 HA ILE 13 HA ILE 13 18.732 1.062 -3.031 95 HB ILE 13 HB ILE 13 16.379 1.609 -1.195 96 1HG1 ILE 13 2HG1 ILE 13 16.644 -1.102 -2.119 97 2HG1 ILE 13 1HG1 ILE 13 18.174 -0.588 -1.406 98 1HG2 ILE 13 1HG2 ILE 13 16.605 1.076 -4.089 99 2HG2 ILE 13 3HG2 ILE 13 15.465 0.032 -3.241 100 3HG2 ILE 13 2HG2 ILE 13 15.273 1.784 -3.176 101 1HD1 ILE 13 3HD1 ILE 13 16.262 0.433 0.340 102 2HD1 ILE 13 2HD1 ILE 13 15.622 -1.150 -0.101 103 3HD1 ILE 13 1HD1 ILE 13 17.234 -1.016 0.603 104 H ALA 14 H ALA 14 17.845 2.340 -4.746 105 HA ALA 14 HA ALA 14 17.521 5.237 -4.067 106 1HB ALA 14 3HB ALA 14 19.247 3.882 -6.029 107 2HB ALA 14 2HB ALA 14 18.308 5.212 -6.706 108 3HB ALA 14 1HB ALA 14 19.384 5.499 -5.340 109 H ASP 15 H ASP 15 15.705 2.731 -4.746 110 HA ASP 15 HA ASP 15 13.482 4.114 -5.739 111 1HB ASP 15 2HB ASP 15 13.582 3.044 -8.150 112 2HB ASP 15 1HB ASP 15 14.385 4.582 -7.835 113 H GLY 16 H GLY 16 12.102 2.284 -7.207 114 1HA GLY 16 2HA GLY 16 12.548 -0.403 -6.074 115 2HA GLY 16 1HA GLY 16 11.069 0.410 -5.560 116 H THR 17 H THR 17 10.184 -1.603 -6.736 117 HA THR 17 HA THR 17 9.432 -0.758 -9.466 118 HB THR 17 HB THR 17 10.834 -3.366 -8.835 119 HG1 THR 17 HG1 THR 17 12.189 -1.696 -9.428 120 1HG2 THR 17 2HG2 THR 17 8.814 -2.702 -10.886 121 2HG2 THR 17 1HG2 THR 17 10.276 -3.474 -11.501 122 3HG2 THR 17 3HG2 THR 17 9.311 -4.274 -10.260 123 H VAL 18 H VAL 18 7.278 -1.128 -9.726 124 HA VAL 18 HA VAL 18 5.605 -2.129 -7.703 125 HB VAL 18 HB VAL 18 5.046 -2.287 -10.679 126 1HG1 VAL 18 3HG1 VAL 18 3.240 -2.003 -8.257 127 2HG1 VAL 18 2HG1 VAL 18 2.701 -1.989 -9.936 128 3HG1 VAL 18 1HG1 VAL 18 3.413 -3.450 -9.252 129 1HG2 VAL 18 2HG2 VAL 18 4.972 0.005 -8.714 130 2HG2 VAL 18 1HG2 VAL 18 5.705 -0.041 -10.319 131 3HG2 VAL 18 3HG2 VAL 18 3.949 0.001 -10.151 132 H ALA 19 H ALA 19 4.339 -4.171 -7.681 133 HA ALA 19 HA ALA 19 6.060 -6.453 -8.510 134 1HB ALA 19 3HB ALA 19 4.747 -5.896 -6.121 135 2HB ALA 19 2HB ALA 19 3.714 -7.101 -6.889 136 3HB ALA 19 1HB ALA 19 5.414 -7.460 -6.590 137 H THR 20 H THR 20 2.526 -6.243 -8.059 138 HA THR 20 HA THR 20 2.026 -6.714 -10.903 139 HB THR 20 HB THR 20 1.599 -8.907 -8.857 140 HG1 THR 20 HG1 THR 20 3.266 -9.710 -9.813 141 1HG2 THR 20 1HG2 THR 20 0.123 -8.239 -11.306 142 2HG2 THR 20 3HG2 THR 20 0.749 -9.887 -11.288 143 3HG2 THR 20 2HG2 THR 20 -0.313 -9.333 -9.993 144 H TRP 21 H TRP 21 -0.026 -6.000 -11.408 145 HA TRP 21 HA TRP 21 -1.663 -4.962 -9.194 146 1HB TRP 21 2HB TRP 21 -1.476 -4.562 -12.143 147 2HB TRP 21 1HB TRP 21 -3.037 -4.277 -11.382 148 HD1 TRP 21 HD1 TRP 21 0.433 -2.853 -11.711 149 HE1 TRP 21 HE1 TRP 21 0.556 -0.594 -10.463 150 HE3 TRP 21 HE3 TRP 21 -4.047 -2.935 -9.253 151 HZ2 TRP 21 HZ2 TRP 21 -1.005 0.953 -8.690 152 HZ3 TRP 21 HZ3 TRP 21 -4.705 -1.045 -7.785 153 HH2 TRP 21 HH2 TRP 21 -3.190 0.901 -7.499 154 H HIS 22 H HIS 22 -2.336 -7.100 -8.405 155 HA HIS 22 HA HIS 22 -3.554 -9.172 -9.798 156 1HB HIS 22 2HB HIS 22 -5.017 -8.223 -7.361 157 2HB HIS 22 1HB HIS 22 -4.531 -9.861 -7.811 158 HD1 HIS 22 HD1 HIS 22 -3.147 -6.652 -6.398 159 HD2 HIS 22 HD2 HIS 22 -1.969 -10.616 -6.903 160 HE1 HIS 22 HE1 HIS 22 -0.938 -6.894 -5.216 161 H LYS 23 H LYS 23 -5.610 -6.682 -8.260 162 HA LYS 23 HA LYS 23 -7.545 -7.064 -10.489 163 1HB LYS 23 2HB LYS 23 -7.741 -6.210 -7.641 164 2HB LYS 23 1HB LYS 23 -8.881 -5.484 -8.772 165 1HG LYS 23 2HG LYS 23 -9.458 -7.798 -9.571 166 2HG LYS 23 1HG LYS 23 -8.451 -8.441 -8.274 167 1HD LYS 23 2HD LYS 23 -10.891 -6.671 -7.942 168 2HD LYS 23 1HD LYS 23 -10.779 -8.383 -7.536 169 1HE LYS 23 2HE LYS 23 -9.117 -7.924 -5.824 170 2HE LYS 23 1HE LYS 23 -9.049 -6.226 -6.295 171 1HZ LYS 23 3HZ LYS 23 -11.529 -6.218 -5.794 172 2HZ LYS 23 2HZ LYS 23 -11.257 -7.686 -4.982 173 3HZ LYS 23 1HZ LYS 23 -10.470 -6.270 -4.470 174 H LYS 24 H LYS 24 -8.874 -4.710 -10.573 175 HA LYS 24 HA LYS 24 -6.771 -2.649 -11.101 176 1HB LYS 24 2HB LYS 24 -8.683 -3.886 -12.946 177 2HB LYS 24 1HB LYS 24 -8.778 -2.124 -12.940 178 1HG LYS 24 2HG LYS 24 -6.078 -2.474 -12.945 179 2HG LYS 24 1HG LYS 24 -6.589 -3.891 -13.862 180 1HD LYS 24 2HD LYS 24 -8.170 -1.842 -14.886 181 2HD LYS 24 1HD LYS 24 -6.598 -1.079 -14.647 182 1HE LYS 24 2HE LYS 24 -5.961 -2.044 -16.586 183 2HE LYS 24 1HE LYS 24 -5.982 -3.581 -15.721 184 1HZ LYS 24 2HZ LYS 24 -8.330 -3.812 -16.299 185 2HZ LYS 24 1HZ LYS 24 -8.264 -2.361 -17.181 186 3HZ LYS 24 3HZ LYS 24 -7.355 -3.701 -17.686 187 HA PRO 25 HA PRO 25 -9.408 0.175 -9.028 188 1HB PRO 25 2HB PRO 25 -9.032 2.462 -10.509 189 2HB PRO 25 1HB PRO 25 -7.817 1.802 -9.400 190 1HG PRO 25 2HG PRO 25 -7.875 1.727 -12.384 191 2HG PRO 25 1HG PRO 25 -6.484 1.695 -11.288 192 1HD PRO 25 2HD PRO 25 -7.583 -0.544 -12.615 193 2HD PRO 25 1HD PRO 25 -6.447 -0.599 -11.250 194 H GLY 26 H GLY 26 -11.482 1.239 -9.152 195 1HA GLY 26 2HA GLY 26 -13.476 1.980 -10.247 196 2HA GLY 26 1HA GLY 26 -12.834 1.365 -11.775 197 H GLU 27 H GLU 27 -12.427 -0.895 -9.300 198 HA GLU 27 HA GLU 27 -14.871 -2.356 -10.215 199 1HB GLU 27 2HB GLU 27 -12.267 -3.488 -9.145 200 2HB GLU 27 1HB GLU 27 -13.644 -4.426 -9.725 201 1HG GLU 27 2HG GLU 27 -12.302 -2.372 -11.482 202 2HG GLU 27 1HG GLU 27 -11.695 -4.025 -11.379 203 H ALA 28 H ALA 28 -15.157 -4.257 -8.333 204 HA ALA 28 HA ALA 28 -15.970 -2.700 -5.980 205 1HB ALA 28 2HB ALA 28 -17.035 -4.890 -7.240 206 2HB ALA 28 1HB ALA 28 -16.216 -5.638 -5.870 207 3HB ALA 28 3HB ALA 28 -17.438 -4.396 -5.596 208 H VAL 29 H VAL 29 -14.876 -2.648 -4.059 209 HA VAL 29 HA VAL 29 -12.597 -4.559 -3.730 210 HB VAL 29 HB VAL 29 -12.687 -1.716 -2.688 211 1HG1 VAL 29 3HG1 VAL 29 -11.191 -3.644 -1.707 212 2HG1 VAL 29 2HG1 VAL 29 -10.236 -3.387 -3.167 213 3HG1 VAL 29 1HG1 VAL 29 -10.475 -2.064 -2.025 214 1HG2 VAL 29 1HG2 VAL 29 -12.702 -1.953 -5.239 215 2HG2 VAL 29 3HG2 VAL 29 -11.353 -1.047 -4.554 216 3HG2 VAL 29 2HG2 VAL 29 -11.120 -2.716 -5.076 217 H LYS 30 H LYS 30 -12.467 -5.571 -1.738 218 HA LYS 30 HA LYS 30 -14.519 -4.768 0.288 219 1HB LYS 30 2HB LYS 30 -13.635 -7.451 -0.715 220 2HB LYS 30 1HB LYS 30 -14.154 -7.305 0.964 221 1HG LYS 30 2HG LYS 30 -16.325 -7.116 0.373 222 2HG LYS 30 1HG LYS 30 -15.954 -5.909 -0.859 223 1HD LYS 30 2HD LYS 30 -15.507 -7.552 -2.502 224 2HD LYS 30 1HD LYS 30 -15.347 -8.831 -1.299 225 1HE LYS 30 2HE LYS 30 -17.710 -8.790 -0.829 226 2HE LYS 30 1HE LYS 30 -17.932 -7.338 -1.804 227 1HZ LYS 30 2HZ LYS 30 -16.835 -8.907 -3.608 228 2HZ LYS 30 1HZ LYS 30 -17.560 -10.105 -2.645 229 3HZ LYS 30 3HZ LYS 30 -18.512 -8.881 -3.332 230 H ARG 31 H ARG 31 -13.743 -4.325 2.312 231 HA ARG 31 HA ARG 31 -11.116 -3.767 2.909 232 1HB ARG 31 2HB ARG 31 -13.301 -3.543 4.358 233 2HB ARG 31 1HB ARG 31 -12.777 -5.086 5.035 234 1HG ARG 31 2HG ARG 31 -10.904 -2.725 4.827 235 2HG ARG 31 1HG ARG 31 -11.951 -2.961 6.227 236 1HD ARG 31 2HD ARG 31 -10.700 -5.460 5.656 237 2HD ARG 31 1HD ARG 31 -9.444 -4.222 5.663 238 HE ARG 31 HE ARG 31 -10.341 -3.577 7.955 239 1HH1 ARG 31 2HH1 ARG 31 -12.736 -5.343 7.975 240 2HH1 ARG 31 1HH1 ARG 31 -12.180 -6.719 8.868 241 1HH2 ARG 31 1HH2 ARG 31 -8.823 -5.928 8.505 242 2HH2 ARG 31 2HH2 ARG 31 -9.964 -7.050 9.168 243 H ASP 32 H ASP 32 -9.315 -4.923 3.657 244 HA ASP 32 HA ASP 32 -7.963 -6.797 4.088 245 1HB ASP 32 2HB ASP 32 -10.118 -7.368 5.513 246 2HB ASP 32 1HB ASP 32 -10.379 -8.569 4.246 247 H GLU 33 H GLU 33 -8.380 -6.074 1.447 248 HA GLU 33 HA GLU 33 -8.278 -8.735 0.121 249 1HB GLU 33 2HB GLU 33 -10.564 -7.737 -0.202 250 2HB GLU 33 1HB GLU 33 -9.799 -6.370 -1.013 251 1HG GLU 33 2HG GLU 33 -9.926 -7.568 -2.920 252 2HG GLU 33 1HG GLU 33 -8.676 -8.612 -2.244 253 H LEU 34 H LEU 34 -6.198 -8.753 -0.605 254 HA LEU 34 HA LEU 34 -4.441 -6.672 -1.002 255 1HB LEU 34 2HB LEU 34 -3.849 -9.070 -1.263 256 2HB LEU 34 1HB LEU 34 -4.685 -9.089 -2.816 257 HG LEU 34 HG LEU 34 -3.164 -7.328 -3.653 258 1HD1 LEU 34 1HD1 LEU 34 -1.940 -7.639 -0.898 259 2HD1 LEU 34 3HD1 LEU 34 -1.116 -6.847 -2.242 260 3HD1 LEU 34 2HD1 LEU 34 -2.619 -6.174 -1.608 261 1HD2 LEU 34 2HD2 LEU 34 -1.855 -9.793 -2.466 262 2HD2 LEU 34 1HD2 LEU 34 -2.517 -9.617 -4.091 263 3HD2 LEU 34 3HD2 LEU 34 -1.062 -8.733 -3.630 264 H ILE 35 H ILE 35 -3.706 -5.589 -3.031 265 HA ILE 35 HA ILE 35 -5.717 -5.409 -5.188 266 HB ILE 35 HB ILE 35 -4.925 -3.065 -3.437 267 1HG1 ILE 35 2HG1 ILE 35 -6.834 -4.581 -2.733 268 2HG1 ILE 35 1HG1 ILE 35 -7.290 -2.897 -2.992 269 1HG2 ILE 35 2HG2 ILE 35 -5.797 -3.212 -6.254 270 2HG2 ILE 35 1HG2 ILE 35 -6.736 -2.103 -5.255 271 3HG2 ILE 35 3HG2 ILE 35 -4.990 -1.902 -5.392 272 1HD1 ILE 35 1HD1 ILE 35 -7.443 -4.646 -5.380 273 2HD1 ILE 35 3HD1 ILE 35 -8.617 -4.986 -4.109 274 3HD1 ILE 35 2HD1 ILE 35 -8.546 -3.382 -4.837 275 H VAL 36 H VAL 36 -2.617 -4.281 -3.858 276 HA VAL 36 HA VAL 36 -1.419 -4.602 -6.537 277 HB VAL 36 HB VAL 36 -2.229 -2.237 -6.447 278 1HG1 VAL 36 2HG1 VAL 36 -2.016 -1.929 -4.006 279 2HG1 VAL 36 1HG1 VAL 36 -0.262 -2.051 -4.144 280 3HG1 VAL 36 3HG1 VAL 36 -1.111 -0.690 -4.879 281 1HG2 VAL 36 1HG2 VAL 36 0.605 -3.072 -6.726 282 2HG2 VAL 36 3HG2 VAL 36 -0.444 -2.249 -7.881 283 3HG2 VAL 36 2HG2 VAL 36 0.332 -1.335 -6.587 284 H ASP 37 H ASP 37 0.601 -5.459 -6.311 285 HA ASP 37 HA ASP 37 1.743 -5.563 -3.569 286 1HB ASP 37 2HB ASP 37 1.993 -7.231 -6.039 287 2HB ASP 37 1HB ASP 37 3.367 -7.186 -4.933 288 H ILE 38 H ILE 38 4.261 -5.483 -3.577 289 HA ILE 38 HA ILE 38 5.262 -3.499 -5.561 290 HB ILE 38 HB ILE 38 5.970 -3.168 -2.661 291 1HG1 ILE 38 2HG1 ILE 38 3.464 -2.142 -4.032 292 2HG1 ILE 38 1HG1 ILE 38 3.536 -3.210 -2.630 293 1HG2 ILE 38 3HG2 ILE 38 6.501 -1.841 -5.129 294 2HG2 ILE 38 2HG2 ILE 38 5.523 -0.755 -4.142 295 3HG2 ILE 38 1HG2 ILE 38 7.047 -1.388 -3.516 296 1HD1 ILE 38 3HD1 ILE 38 5.005 -1.208 -1.646 297 2HD1 ILE 38 2HD1 ILE 38 4.059 -0.275 -2.805 298 3HD1 ILE 38 1HD1 ILE 38 3.244 -1.195 -1.542 299 H GLU 39 H GLU 39 7.695 -3.347 -5.458 300 HA GLU 39 HA GLU 39 8.926 -5.834 -4.355 301 1HB GLU 39 2HB GLU 39 9.551 -4.666 -7.082 302 2HB GLU 39 1HB GLU 39 10.180 -6.167 -6.400 303 1HG GLU 39 2HG GLU 39 7.832 -7.037 -6.288 304 2HG GLU 39 1HG GLU 39 7.296 -5.580 -7.126 305 H THR 40 H THR 40 10.996 -5.535 -3.514 306 HA THR 40 HA THR 40 12.137 -2.779 -3.760 307 HB THR 40 HB THR 40 12.871 -4.088 -1.280 308 HG1 THR 40 HG1 THR 40 10.569 -3.664 -0.518 309 1HG2 THR 40 1HG2 THR 40 11.382 -1.550 -1.995 310 2HG2 THR 40 3HG2 THR 40 11.912 -1.957 -0.363 311 3HG2 THR 40 2HG2 THR 40 13.103 -1.704 -1.639 312 H ASP 41 H ASP 41 14.479 -3.360 -2.252 313 HA ASP 41 HA ASP 41 16.295 -4.245 -4.118 314 1HB ASP 41 2HB ASP 41 16.610 -3.418 -1.628 315 2HB ASP 41 1HB ASP 41 16.700 -5.146 -1.287 316 H LYS 42 H LYS 42 15.086 -6.401 -1.520 317 HA LYS 42 HA LYS 42 14.935 -8.604 -3.498 318 1HB LYS 42 2HB LYS 42 16.415 -8.966 -0.885 319 2HB LYS 42 1HB LYS 42 16.340 -10.082 -2.249 320 1HG LYS 42 2HG LYS 42 17.407 -8.135 -3.608 321 2HG LYS 42 1HG LYS 42 17.841 -7.480 -2.028 322 1HD LYS 42 2HD LYS 42 19.225 -9.302 -1.509 323 2HD LYS 42 1HD LYS 42 18.451 -10.351 -2.698 324 1HE LYS 42 2HE LYS 42 19.933 -9.732 -4.272 325 2HE LYS 42 1HE LYS 42 19.539 -8.032 -4.021 326 1HZ LYS 42 1HZ LYS 42 21.385 -9.580 -2.289 327 2HZ LYS 42 3HZ LYS 42 21.893 -8.600 -3.578 328 3HZ LYS 42 2HZ LYS 42 21.100 -7.905 -2.246 329 H VAL 43 H VAL 43 13.124 -6.941 -1.673 330 HA VAL 43 HA VAL 43 11.804 -9.280 -0.358 331 HB VAL 43 HB VAL 43 11.490 -6.497 0.727 332 1HG1 VAL 43 2HG1 VAL 43 11.061 -9.315 1.592 333 2HG1 VAL 43 1HG1 VAL 43 11.566 -8.172 2.835 334 3HG1 VAL 43 3HG1 VAL 43 10.090 -7.879 1.916 335 1HG2 VAL 43 2HG2 VAL 43 13.800 -8.390 1.265 336 2HG2 VAL 43 1HG2 VAL 43 13.905 -6.760 0.598 337 3HG2 VAL 43 3HG2 VAL 43 13.406 -6.999 2.274 338 H VAL 44 H VAL 44 9.601 -9.452 -0.738 339 HA VAL 44 HA VAL 44 8.445 -7.414 -2.588 340 HB VAL 44 HB VAL 44 8.560 -9.818 -3.344 341 1HG1 VAL 44 1HG1 VAL 44 7.871 -10.469 -0.835 342 2HG1 VAL 44 3HG1 VAL 44 6.259 -10.433 -1.548 343 3HG1 VAL 44 2HG1 VAL 44 7.490 -11.512 -2.206 344 1HG2 VAL 44 3HG2 VAL 44 6.240 -8.040 -3.283 345 2HG2 VAL 44 2HG2 VAL 44 6.892 -8.980 -4.625 346 3HG2 VAL 44 1HG2 VAL 44 5.777 -9.730 -3.483 347 H MET 45 H MET 45 6.677 -6.243 -1.933 348 HA MET 45 HA MET 45 5.519 -6.945 0.734 349 1HB MET 45 2HB MET 45 5.962 -4.288 -0.637 350 2HB MET 45 1HB MET 45 4.849 -4.460 0.721 351 1HG MET 45 2HG MET 45 6.960 -5.717 1.787 352 2HG MET 45 1HG MET 45 7.825 -4.661 0.671 353 1HE MET 45 2HE MET 45 6.712 -2.271 0.246 354 2HE MET 45 1HE MET 45 5.070 -2.428 0.866 355 3HE MET 45 3HE MET 45 6.163 -1.211 1.542 356 H GLU 46 H GLU 46 3.199 -5.665 0.804 357 HA GLU 46 HA GLU 46 1.754 -6.136 -1.746 358 1HB GLU 46 2HB GLU 46 1.001 -7.416 0.900 359 2HB GLU 46 1HB GLU 46 0.014 -7.456 -0.562 360 1HG GLU 46 2HG GLU 46 1.584 -8.789 -1.726 361 2HG GLU 46 1HG GLU 46 2.868 -8.434 -0.571 362 H VAL 47 H VAL 47 -0.461 -5.186 -1.663 363 HA VAL 47 HA VAL 47 -0.796 -3.162 0.501 364 HB VAL 47 HB VAL 47 -1.043 -2.612 -2.473 365 1HG1 VAL 47 2HG1 VAL 47 -1.841 -1.138 -0.004 366 2HG1 VAL 47 1HG1 VAL 47 -1.144 -0.194 -1.322 367 3HG1 VAL 47 3HG1 VAL 47 -2.599 -1.154 -1.597 368 1HG2 VAL 47 1HG2 VAL 47 1.215 -2.597 -0.762 369 2HG2 VAL 47 3HG2 VAL 47 1.109 -1.946 -2.398 370 3HG2 VAL 47 2HG2 VAL 47 0.771 -0.908 -1.012 371 H LEU 48 H LEU 48 -2.687 -3.861 1.414 372 HA LEU 48 HA LEU 48 -4.863 -4.789 -0.379 373 1HB LEU 48 2HB LEU 48 -5.774 -5.235 2.151 374 2HB LEU 48 1HB LEU 48 -4.880 -6.418 1.207 375 HG LEU 48 HG LEU 48 -3.506 -4.408 2.996 376 1HD1 LEU 48 2HD1 LEU 48 -4.951 -6.904 3.672 377 2HD1 LEU 48 1HD1 LEU 48 -3.328 -6.764 4.348 378 3HD1 LEU 48 3HD1 LEU 48 -4.538 -5.529 4.696 379 1HD2 LEU 48 2HD2 LEU 48 -2.682 -6.458 1.140 380 2HD2 LEU 48 1HD2 LEU 48 -1.677 -5.339 2.063 381 3HD2 LEU 48 3HD2 LEU 48 -2.146 -6.888 2.765 382 H ALA 49 H ALA 49 -6.954 -3.839 -0.209 383 HA ALA 49 HA ALA 49 -7.002 -1.022 0.293 384 1HB ALA 49 1HB ALA 49 -9.145 -3.099 -0.143 385 2HB ALA 49 3HB ALA 49 -9.565 -1.425 0.223 386 3HB ALA 49 2HB ALA 49 -8.632 -1.804 -1.225 387 H GLU 50 H GLU 50 -7.914 0.146 2.043 388 HA GLU 50 HA GLU 50 -7.925 -1.347 4.600 389 1HB GLU 50 2HB GLU 50 -7.164 1.290 3.788 390 2HB GLU 50 1HB GLU 50 -8.456 1.433 4.981 391 1HG GLU 50 2HG GLU 50 -7.143 -0.278 6.374 392 2HG GLU 50 1HG GLU 50 -5.797 0.030 5.276 393 H ALA 51 H ALA 51 -10.165 -0.967 2.358 394 HA ALA 51 HA ALA 51 -12.411 -1.546 3.868 395 1HB ALA 51 2HB ALA 51 -11.611 1.210 4.245 396 2HB ALA 51 1HB ALA 51 -13.208 1.133 3.501 397 3HB ALA 51 3HB ALA 51 -12.910 0.316 5.035 398 H ASP 52 H ASP 52 -14.414 -1.376 2.609 399 HA ASP 52 HA ASP 52 -13.970 -1.639 -0.214 400 1HB ASP 52 2HB ASP 52 -15.836 -2.824 0.414 401 2HB ASP 52 1HB ASP 52 -16.342 -1.628 1.601 402 H GLY 53 H GLY 53 -15.315 -0.278 -1.806 403 1HA GLY 53 2HA GLY 53 -16.309 2.226 -1.617 404 2HA GLY 53 1HA GLY 53 -14.592 2.551 -1.355 405 H VAL 54 H VAL 54 -14.197 3.632 -3.305 406 HA VAL 54 HA VAL 54 -14.267 1.894 -5.723 407 HB VAL 54 HB VAL 54 -15.330 4.720 -5.494 408 1HG1 VAL 54 1HG1 VAL 54 -14.051 3.337 -7.749 409 2HG1 VAL 54 3HG1 VAL 54 -15.667 3.936 -8.121 410 3HG1 VAL 54 2HG1 VAL 54 -14.424 5.048 -7.547 411 1HG2 VAL 54 3HG2 VAL 54 -16.742 2.570 -5.070 412 2HG2 VAL 54 2HG2 VAL 54 -17.388 3.791 -6.167 413 3HG2 VAL 54 1HG2 VAL 54 -16.625 2.338 -6.814 414 H ILE 55 H ILE 55 -12.268 1.853 -6.620 415 HA ILE 55 HA ILE 55 -10.178 3.639 -5.672 416 HB ILE 55 HB ILE 55 -10.044 1.775 -8.052 417 1HG1 ILE 55 2HG1 ILE 55 -10.972 0.721 -5.905 418 2HG1 ILE 55 1HG1 ILE 55 -9.521 -0.025 -6.570 419 1HG2 ILE 55 3HG2 ILE 55 -8.054 3.063 -6.187 420 2HG2 ILE 55 2HG2 ILE 55 -7.642 1.603 -7.087 421 3HG2 ILE 55 1HG2 ILE 55 -8.079 3.078 -7.951 422 1HD1 ILE 55 1HD1 ILE 55 -9.279 2.173 -4.532 423 2HD1 ILE 55 3HD1 ILE 55 -9.606 0.520 -4.012 424 3HD1 ILE 55 2HD1 ILE 55 -8.136 0.886 -4.915 425 H ALA 56 H ALA 56 -8.745 4.752 -7.417 426 HA ALA 56 HA ALA 56 -10.577 6.309 -9.179 427 1HB ALA 56 2HB ALA 56 -7.850 6.900 -8.011 428 2HB ALA 56 1HB ALA 56 -8.571 7.893 -9.279 429 3HB ALA 56 3HB ALA 56 -9.366 7.751 -7.711 430 H GLU 57 H GLU 57 -7.165 5.204 -9.304 431 HA GLU 57 HA GLU 57 -7.380 3.636 -11.631 432 1HB GLU 57 2HB GLU 57 -6.380 5.353 -13.281 433 2HB GLU 57 1HB GLU 57 -8.105 5.480 -12.933 434 1HG GLU 57 2HG GLU 57 -7.445 7.132 -11.081 435 2HG GLU 57 1HG GLU 57 -5.855 7.176 -11.843 436 H ILE 58 H ILE 58 -5.219 3.163 -12.577 437 HA ILE 58 HA ILE 58 -3.122 3.500 -10.522 438 HB ILE 58 HB ILE 58 -2.887 1.966 -13.116 439 1HG1 ILE 58 2HG1 ILE 58 -3.477 0.185 -11.012 440 2HG1 ILE 58 1HG1 ILE 58 -4.670 1.482 -10.882 441 1HG2 ILE 58 1HG2 ILE 58 -1.524 1.912 -10.419 442 2HG2 ILE 58 3HG2 ILE 58 -1.405 0.565 -11.551 443 3HG2 ILE 58 2HG2 ILE 58 -0.793 2.155 -12.005 444 1HD1 ILE 58 3HD1 ILE 58 -4.112 0.462 -13.620 445 2HD1 ILE 58 2HD1 ILE 58 -4.995 -0.619 -12.541 446 3HD1 ILE 58 1HD1 ILE 58 -5.636 0.984 -12.902 447 H VAL 59 H VAL 59 -1.165 4.581 -10.907 448 HA VAL 59 HA VAL 59 -1.194 6.397 -13.264 449 HB VAL 59 HB VAL 59 0.352 6.448 -10.659 450 1HG1 VAL 59 3HG1 VAL 59 0.915 7.694 -13.246 451 2HG1 VAL 59 2HG1 VAL 59 0.736 8.878 -11.950 452 3HG1 VAL 59 1HG1 VAL 59 1.931 7.589 -11.809 453 1HG2 VAL 59 2HG2 VAL 59 -1.980 7.924 -11.834 454 2HG2 VAL 59 1HG2 VAL 59 -1.751 7.326 -10.190 455 3HG2 VAL 59 3HG2 VAL 59 -0.908 8.780 -10.728 456 H LYS 60 H LYS 60 0.452 3.650 -11.951 457 HA LYS 60 HA LYS 60 2.514 3.907 -14.106 458 1HB LYS 60 2HB LYS 60 2.849 3.544 -11.294 459 2HB LYS 60 1HB LYS 60 3.341 2.049 -12.090 460 1HG LYS 60 2HG LYS 60 5.232 3.636 -11.907 461 2HG LYS 60 1HG LYS 60 4.819 3.318 -13.592 462 1HD LYS 60 2HD LYS 60 3.723 5.408 -13.835 463 2HD LYS 60 1HD LYS 60 3.645 5.660 -12.091 464 1HE LYS 60 2HE LYS 60 6.021 6.009 -11.953 465 2HE LYS 60 1HE LYS 60 6.252 5.484 -13.621 466 1HZ LYS 60 3HZ LYS 60 4.428 7.482 -13.828 467 2HZ LYS 60 2HZ LYS 60 5.463 8.046 -12.605 468 3HZ LYS 60 1HZ LYS 60 6.090 7.631 -14.128 469 H ASN 61 H ASN 61 3.495 1.387 -14.202 470 HA ASN 61 HA ASN 61 1.085 -0.321 -14.689 471 1HB ASN 61 2HB ASN 61 3.642 -0.277 -16.320 472 2HB ASN 61 1HB ASN 61 2.196 -1.232 -16.657 473 1HD2 ASN 61 2HD2 ASN 61 0.337 1.973 -17.302 474 2HD2 ASN 61 1HD2 ASN 61 0.190 0.730 -16.143 475 H GLU 62 H GLU 62 1.710 -2.714 -14.762 476 HA GLU 62 HA GLU 62 3.152 -3.375 -12.342 477 1HB GLU 62 2HB GLU 62 2.593 -5.466 -14.403 478 2HB GLU 62 1HB GLU 62 2.365 -5.526 -12.656 479 1HG GLU 62 2HG GLU 62 0.171 -5.183 -13.082 480 2HG GLU 62 1HG GLU 62 0.622 -3.516 -13.448 481 H GLY 63 H GLY 63 5.215 -4.278 -12.131 482 1HA GLY 63 2HA GLY 63 7.387 -4.927 -12.768 483 2HA GLY 63 1HA GLY 63 6.787 -5.118 -14.419 484 H ASP 64 H ASP 64 6.127 -2.074 -12.968 485 HA ASP 64 HA ASP 64 8.183 -0.849 -14.736 486 1HB ASP 64 2HB ASP 64 6.222 0.210 -15.301 487 2HB ASP 64 1HB ASP 64 5.514 0.006 -13.700 488 H THR 65 H THR 65 9.105 1.265 -13.796 489 HA THR 65 HA THR 65 10.209 0.618 -11.127 490 HB THR 65 HB THR 65 11.645 1.361 -13.100 491 HG1 THR 65 HG1 THR 65 12.995 2.128 -11.670 492 1HG2 THR 65 3HG2 THR 65 9.915 3.198 -13.676 493 2HG2 THR 65 2HG2 THR 65 10.683 4.128 -12.389 494 3HG2 THR 65 1HG2 THR 65 11.624 3.617 -13.790 495 H VAL 66 H VAL 66 10.168 2.184 -9.388 496 HA VAL 66 HA VAL 66 8.111 4.326 -9.690 497 HB VAL 66 HB VAL 66 7.162 3.755 -7.521 498 1HG1 VAL 66 1HG1 VAL 66 7.377 1.675 -9.651 499 2HG1 VAL 66 3HG1 VAL 66 6.639 1.196 -8.123 500 3HG1 VAL 66 2HG1 VAL 66 5.953 2.527 -9.053 501 1HG2 VAL 66 2HG2 VAL 66 9.650 2.283 -7.288 502 2HG2 VAL 66 1HG2 VAL 66 8.501 2.726 -6.025 503 3HG2 VAL 66 3HG2 VAL 66 8.276 1.235 -6.938 504 H LEU 67 H LEU 67 8.557 6.210 -8.502 505 HA LEU 67 HA LEU 67 11.328 6.396 -7.473 506 1HB LEU 67 2HB LEU 67 9.331 8.268 -8.575 507 2HB LEU 67 1HB LEU 67 10.260 8.910 -7.220 508 HG LEU 67 HG LEU 67 11.355 9.349 -9.417 509 1HD1 LEU 67 2HD1 LEU 67 12.529 8.690 -7.101 510 2HD1 LEU 67 1HD1 LEU 67 13.116 7.343 -8.078 511 3HD1 LEU 67 3HD1 LEU 67 13.468 9.003 -8.560 512 1HD2 LEU 67 1HD2 LEU 67 10.500 7.157 -10.414 513 2HD2 LEU 67 3HD2 LEU 67 12.185 7.546 -10.761 514 3HD2 LEU 67 2HD2 LEU 67 11.793 6.354 -9.521 515 H SER 68 H SER 68 11.694 7.520 -5.380 516 HA SER 68 HA SER 68 10.318 6.350 -3.225 517 1HB SER 68 2HB SER 68 12.393 7.315 -2.679 518 2HB SER 68 1HB SER 68 12.000 8.838 -3.470 519 HG SER 68 HG SER 68 10.826 9.432 -1.773 520 H GLY 69 H GLY 69 8.236 6.627 -2.602 521 1HA GLY 69 2HA GLY 69 6.255 7.752 -1.999 522 2HA GLY 69 1HA GLY 69 7.093 9.279 -2.279 523 H GLU 70 H GLU 70 6.840 6.704 -4.675 524 HA GLU 70 HA GLU 70 5.738 8.578 -6.616 525 1HB GLU 70 2HB GLU 70 7.322 6.685 -7.175 526 2HB GLU 70 1HB GLU 70 5.989 5.569 -6.873 527 1HG GLU 70 2HG GLU 70 5.682 5.881 -9.136 528 2HG GLU 70 1HG GLU 70 4.726 7.239 -8.542 529 H LEU 71 H LEU 71 3.609 8.748 -7.273 530 HA LEU 71 HA LEU 71 1.575 7.550 -5.555 531 1HB LEU 71 2HB LEU 71 1.346 9.854 -6.449 532 2HB LEU 71 1HB LEU 71 1.265 9.197 -8.084 533 HG LEU 71 HG LEU 71 -0.621 7.733 -6.592 534 1HD1 LEU 71 2HD1 LEU 71 -0.179 10.166 -5.277 535 2HD1 LEU 71 1HD1 LEU 71 -1.632 10.439 -6.240 536 3HD1 LEU 71 3HD1 LEU 71 -1.578 9.109 -5.082 537 1HD2 LEU 71 3HD2 LEU 71 -0.436 9.299 -8.956 538 2HD2 LEU 71 2HD2 LEU 71 -1.723 8.181 -8.507 539 3HD2 LEU 71 1HD2 LEU 71 -1.842 9.885 -8.068 540 H LEU 72 H LEU 72 0.509 5.667 -5.953 541 HA LEU 72 HA LEU 72 0.908 4.401 -8.627 542 1HB LEU 72 2HB LEU 72 -0.163 2.959 -6.213 543 2HB LEU 72 1HB LEU 72 0.735 2.308 -7.585 544 HG LEU 72 HG LEU 72 1.931 4.248 -5.591 545 1HD1 LEU 72 1HD1 LEU 72 1.151 1.861 -4.772 546 2HD1 LEU 72 3HD1 LEU 72 2.580 1.317 -5.653 547 3HD1 LEU 72 2HD1 LEU 72 2.745 2.468 -4.327 548 1HD2 LEU 72 2HD2 LEU 72 2.753 3.213 -8.124 549 2HD2 LEU 72 1HD2 LEU 72 3.665 4.250 -7.028 550 3HD2 LEU 72 3HD2 LEU 72 3.789 2.496 -6.890 551 H GLY 73 H GLY 73 -1.481 5.683 -6.453 552 1HA GLY 73 2HA GLY 73 -3.522 5.888 -8.371 553 2HA GLY 73 1HA GLY 73 -3.780 4.341 -7.555 554 H LYS 74 H LYS 74 -5.748 6.186 -7.245 555 HA LYS 74 HA LYS 74 -5.329 7.124 -4.436 556 1HB LYS 74 2HB LYS 74 -6.796 8.517 -6.694 557 2HB LYS 74 1HB LYS 74 -6.927 8.997 -5.002 558 1HG LYS 74 2HG LYS 74 -4.258 8.940 -5.177 559 2HG LYS 74 1HG LYS 74 -4.618 9.261 -6.874 560 1HD LYS 74 2HD LYS 74 -6.247 10.896 -5.091 561 2HD LYS 74 1HD LYS 74 -4.522 11.158 -4.832 562 1HE LYS 74 2HE LYS 74 -4.853 11.020 -7.626 563 2HE LYS 74 1HE LYS 74 -6.179 12.024 -7.042 564 1HZ LYS 74 3HZ LYS 74 -3.504 12.492 -5.948 565 2HZ LYS 74 2HZ LYS 74 -3.825 13.031 -7.528 566 3HZ LYS 74 1HZ LYS 74 -4.765 13.590 -6.228 567 H LEU 75 H LEU 75 -6.951 6.541 -3.020 568 HA LEU 75 HA LEU 75 -9.133 4.863 -4.139 569 1HB LEU 75 2HB LEU 75 -7.627 4.063 -2.235 570 2HB LEU 75 1HB LEU 75 -8.441 5.256 -1.221 571 HG LEU 75 HG LEU 75 -10.320 3.637 -2.774 572 1HD1 LEU 75 1HD1 LEU 75 -8.098 2.239 -1.780 573 2HD1 LEU 75 3HD1 LEU 75 -9.367 1.984 -0.581 574 3HD1 LEU 75 2HD1 LEU 75 -9.645 1.545 -2.267 575 1HD2 LEU 75 3HD2 LEU 75 -10.593 5.200 -0.682 576 2HD2 LEU 75 2HD2 LEU 75 -11.546 3.718 -0.778 577 3HD2 LEU 75 1HD2 LEU 75 -10.096 3.771 0.225 578 H THR 76 H THR 76 -11.340 5.267 -3.544 579 HA THR 76 HA THR 76 -11.825 8.084 -2.665 580 HB THR 76 HB THR 76 -13.725 6.331 -4.241 581 HG1 THR 76 HG1 THR 76 -11.627 8.022 -5.048 582 1HG2 THR 76 2HG2 THR 76 -13.614 9.189 -3.364 583 2HG2 THR 76 1HG2 THR 76 -14.379 8.814 -4.909 584 3HG2 THR 76 3HG2 THR 76 -14.990 8.088 -3.423 585 H GLU 77 H GLU 77 -14.101 8.283 -1.604 586 HA GLU 77 HA GLU 77 -14.138 6.563 0.718 587 1HB GLU 77 2HB GLU 77 -16.295 8.463 -0.254 588 2HB GLU 77 1HB GLU 77 -16.104 7.839 1.385 589 1HG GLU 77 2HG GLU 77 -13.730 8.888 1.275 590 2HG GLU 77 1HG GLU 77 -14.365 9.809 -0.089 591 H GLY 78 H GLY 78 -16.808 7.127 -1.603 592 1HA GLY 78 2HA GLY 78 -17.476 4.921 -2.816 593 2HA GLY 78 1HA GLY 78 -17.612 4.286 -1.175 594 H GLY 79 HN GLY 79 -19.918 3.960 -2.092 595 1HA GLY 79 2HA GLY 79 -21.582 6.359 -2.256 596 2HA GLY 79 1HA GLY 79 -22.159 4.692 -2.313 No H/Q in entry = 596 Start of MODEL 18 1 1H ALA 1 1H ALA 1 -9.498 9.527 -0.663 2 2H ALA 1 3H ALA 1 -11.148 9.140 -0.580 3 3H ALA 1 2H ALA 1 -10.543 10.466 0.293 4 HA ALA 1 HA ALA 1 -10.659 8.939 1.964 5 1HB ALA 1 3HB ALA 1 -10.145 6.973 -0.261 6 2HB ALA 1 2HB ALA 1 -9.927 6.494 1.423 7 3HB ALA 1 1HB ALA 1 -11.505 7.043 0.859 8 H ILE 2 H ILE 2 -8.093 7.409 0.042 9 HA ILE 2 HA ILE 2 -6.051 8.910 1.587 10 HB ILE 2 HB ILE 2 -4.871 6.740 2.089 11 1HG1 ILE 2 2HG1 ILE 2 -7.151 5.027 2.040 12 2HG1 ILE 2 1HG1 ILE 2 -6.997 5.746 0.436 13 1HG2 ILE 2 1HG2 ILE 2 -7.588 7.379 3.236 14 2HG2 ILE 2 3HG2 ILE 2 -6.620 6.050 3.874 15 3HG2 ILE 2 2HG2 ILE 2 -5.999 7.700 3.930 16 1HD1 ILE 2 1HD1 ILE 2 -4.474 5.153 0.657 17 2HD1 ILE 2 3HD1 ILE 2 -5.000 4.068 1.945 18 3HD1 ILE 2 2HD1 ILE 2 -5.608 3.850 0.303 19 H ASP 3 H ASP 3 -4.285 9.366 0.324 20 HA ASP 3 HA ASP 3 -4.338 8.511 -2.474 21 1HB ASP 3 2HB ASP 3 -3.627 10.821 -1.598 22 2HB ASP 3 1HB ASP 3 -2.115 10.044 -1.114 23 H ILE 4 H ILE 4 -3.112 6.894 -3.362 24 HA ILE 4 HA ILE 4 -1.383 5.343 -1.513 25 HB ILE 4 HB ILE 4 -2.165 4.604 -4.341 26 1HG1 ILE 4 2HG1 ILE 4 -3.640 4.086 -1.738 27 2HG1 ILE 4 1HG1 ILE 4 -4.226 5.034 -3.104 28 1HG2 ILE 4 1HG2 ILE 4 -0.305 3.439 -2.891 29 2HG2 ILE 4 3HG2 ILE 4 -1.679 2.730 -2.042 30 3HG2 ILE 4 2HG2 ILE 4 -1.470 2.449 -3.771 31 1HD1 ILE 4 1HD1 ILE 4 -3.473 2.557 -4.199 32 2HD1 ILE 4 3HD1 ILE 4 -4.321 2.165 -2.703 33 3HD1 ILE 4 2HD1 ILE 4 -5.117 3.141 -3.937 34 H LYS 5 H LYS 5 0.681 6.137 -1.488 35 HA LYS 5 HA LYS 5 1.942 6.729 -4.137 36 1HB LYS 5 2HB LYS 5 2.696 7.959 -1.470 37 2HB LYS 5 1HB LYS 5 3.300 8.417 -3.063 38 1HG LYS 5 2HG LYS 5 0.925 8.990 -3.705 39 2HG LYS 5 1HG LYS 5 0.476 8.739 -2.018 40 1HD LYS 5 2HD LYS 5 2.717 10.397 -1.882 41 2HD LYS 5 1HD LYS 5 1.800 11.025 -3.251 42 1HE LYS 5 2HE LYS 5 -0.186 10.540 -1.407 43 2HE LYS 5 1HE LYS 5 1.149 11.072 -0.383 44 1HZ LYS 5 2HZ LYS 5 1.189 12.768 -2.533 45 2HZ LYS 5 1HZ LYS 5 -0.462 12.588 -2.177 46 3HZ LYS 5 3HZ LYS 5 0.608 13.125 -0.977 47 H ALA 6 H ALA 6 4.457 6.535 -3.894 48 HA ALA 6 HA ALA 6 5.004 3.824 -2.984 49 1HB ALA 6 1HB ALA 6 6.094 4.754 -4.996 50 2HB ALA 6 3HB ALA 6 6.892 5.972 -4.000 51 3HB ALA 6 2HB ALA 6 7.292 4.267 -3.798 52 HA PRO 7 HA PRO 7 6.413 4.837 1.055 53 1HB PRO 7 2HB PRO 7 7.916 2.581 1.507 54 2HB PRO 7 1HB PRO 7 6.145 2.600 1.549 55 1HG PRO 7 2HG PRO 7 7.959 1.505 -0.549 56 2HG PRO 7 1HG PRO 7 6.304 1.029 -0.136 57 1HD PRO 7 2HD PRO 7 7.065 2.649 -2.331 58 2HD PRO 7 1HD PRO 7 5.411 2.433 -1.712 59 H THR 8 H THR 8 8.150 6.005 1.853 60 HA THR 8 HA THR 8 10.332 6.757 0.216 61 HB THR 8 HB THR 8 9.715 8.110 2.131 62 HG1 THR 8 HG1 THR 8 11.885 8.216 1.623 63 1HG2 THR 8 1HG2 THR 8 9.146 5.871 3.436 64 2HG2 THR 8 3HG2 THR 8 10.783 6.085 4.053 65 3HG2 THR 8 2HG2 THR 8 9.574 7.342 4.309 66 H PHE 9 H PHE 9 11.849 5.363 -0.551 67 HA PHE 9 HA PHE 9 12.487 2.854 0.706 68 1HB PHE 9 2HB PHE 9 14.376 4.241 -1.180 69 2HB PHE 9 1HB PHE 9 13.975 2.525 -1.068 70 HD1 PHE 9 HD2 PHE 9 11.620 1.780 -1.728 71 HD2 PHE 9 HD1 PHE 9 13.193 5.671 -2.650 72 HE1 PHE 9 HE2 PHE 9 9.877 2.071 -3.470 73 HE2 PHE 9 HE1 PHE 9 11.451 5.963 -4.392 74 HZ PHE 9 HZ PHE 9 9.793 4.163 -4.802 75 HA PRO 10 HA PRO 10 15.547 4.102 3.593 76 1HB PRO 10 2HB PRO 10 17.075 1.817 3.645 77 2HB PRO 10 1HB PRO 10 15.478 1.945 4.404 78 1HG PRO 10 2HG PRO 10 16.253 0.546 1.887 79 2HG PRO 10 1HG PRO 10 14.908 0.208 2.990 80 1HD PRO 10 2HD PRO 10 14.718 1.559 0.508 81 2HD PRO 10 1HD PRO 10 13.463 1.503 1.768 82 H GLU 11 H GLU 11 18.257 3.275 3.640 83 HA GLU 11 HA GLU 11 19.367 5.023 1.572 84 1HB GLU 11 2HB GLU 11 20.193 4.825 3.995 85 2HB GLU 11 1HB GLU 11 20.936 3.303 3.502 86 1HG GLU 11 2HG GLU 11 21.677 5.082 1.491 87 2HG GLU 11 1HG GLU 11 21.801 6.039 2.968 88 H SER 12 H SER 12 20.136 1.653 2.533 89 HA SER 12 HA SER 12 21.697 0.880 0.403 90 1HB SER 12 2HB SER 12 20.695 -0.503 2.414 91 2HB SER 12 1HB SER 12 19.474 -0.963 1.226 92 HG SER 12 HG SER 12 21.082 -2.431 0.997 93 H ILE 13 H ILE 13 18.123 0.901 0.427 94 HA ILE 13 HA ILE 13 18.164 0.465 -2.516 95 HB ILE 13 HB ILE 13 15.793 0.518 -0.626 96 1HG1 ILE 13 2HG1 ILE 13 17.492 -1.771 -1.659 97 2HG1 ILE 13 1HG1 ILE 13 17.240 -1.308 0.024 98 1HG2 ILE 13 1HG2 ILE 13 15.913 0.661 -3.405 99 2HG2 ILE 13 3HG2 ILE 13 15.620 -1.048 -3.085 100 3HG2 ILE 13 2HG2 ILE 13 14.511 0.170 -2.454 101 1HD1 ILE 13 1HD1 ILE 13 14.704 -1.680 -0.534 102 2HD1 ILE 13 3HD1 ILE 13 15.328 -2.639 -1.875 103 3HD1 ILE 13 2HD1 ILE 13 15.731 -3.078 -0.215 104 H ALA 14 H ALA 14 17.747 2.141 -3.886 105 HA ALA 14 HA ALA 14 16.656 4.656 -2.682 106 1HB ALA 14 3HB ALA 14 19.006 4.149 -4.358 107 2HB ALA 14 2HB ALA 14 17.961 5.409 -5.011 108 3HB ALA 14 1HB ALA 14 18.611 5.561 -3.379 109 H ASP 15 H ASP 15 15.224 2.368 -3.976 110 HA ASP 15 HA ASP 15 13.315 3.817 -5.479 111 1HB ASP 15 2HB ASP 15 13.949 2.620 -7.749 112 2HB ASP 15 1HB ASP 15 14.706 4.152 -7.316 113 H GLY 16 H GLY 16 12.257 1.957 -7.169 114 1HA GLY 16 2HA GLY 16 12.361 -0.731 -6.062 115 2HA GLY 16 1HA GLY 16 10.905 0.138 -5.575 116 H THR 17 H THR 17 10.067 -1.824 -6.939 117 HA THR 17 HA THR 17 9.419 -0.747 -9.614 118 HB THR 17 HB THR 17 10.791 -3.406 -9.153 119 HG1 THR 17 HG1 THR 17 12.175 -1.712 -9.558 120 1HG2 THR 17 3HG2 THR 17 9.039 -2.450 -11.400 121 2HG2 THR 17 2HG2 THR 17 10.370 -3.559 -11.729 122 3HG2 THR 17 1HG2 THR 17 9.082 -4.033 -10.622 123 H VAL 18 H VAL 18 7.245 -0.952 -9.816 124 HA VAL 18 HA VAL 18 5.495 -2.124 -8.023 125 HB VAL 18 HB VAL 18 5.114 -2.081 -11.033 126 1HG1 VAL 18 2HG1 VAL 18 3.369 -2.645 -8.699 127 2HG1 VAL 18 1HG1 VAL 18 2.685 -1.589 -9.935 128 3HG1 VAL 18 3HG1 VAL 18 3.238 -3.207 -10.364 129 1HG2 VAL 18 2HG2 VAL 18 4.934 0.021 -8.892 130 2HG2 VAL 18 1HG2 VAL 18 5.586 0.149 -10.526 131 3HG2 VAL 18 3HG2 VAL 18 3.841 0.101 -10.274 132 H ALA 19 H ALA 19 4.299 -4.168 -8.058 133 HA ALA 19 HA ALA 19 5.985 -6.395 -9.111 134 1HB ALA 19 1HB ALA 19 5.592 -6.350 -6.654 135 2HB ALA 19 3HB ALA 19 3.855 -6.450 -6.950 136 3HB ALA 19 2HB ALA 19 4.905 -7.790 -7.408 137 H THR 20 H THR 20 2.521 -6.225 -8.264 138 HA THR 20 HA THR 20 1.722 -6.616 -11.055 139 HB THR 20 HB THR 20 1.513 -8.850 -9.022 140 HG1 THR 20 HG1 THR 20 2.280 -9.115 -11.694 141 1HG2 THR 20 3HG2 THR 20 -0.674 -8.477 -10.142 142 2HG2 THR 20 2HG2 THR 20 0.127 -8.619 -11.707 143 3HG2 THR 20 1HG2 THR 20 0.065 -10.006 -10.619 144 H TRP 21 H TRP 21 -0.343 -5.828 -11.325 145 HA TRP 21 HA TRP 21 -1.739 -4.856 -8.925 146 1HB TRP 21 2HB TRP 21 -1.827 -4.338 -11.861 147 2HB TRP 21 1HB TRP 21 -3.301 -4.058 -10.940 148 HD1 TRP 21 HD1 TRP 21 0.155 -2.690 -11.542 149 HE1 TRP 21 HE1 TRP 21 0.445 -0.482 -10.231 150 HE3 TRP 21 HE3 TRP 21 -4.079 -2.778 -8.680 151 HZ2 TRP 21 HZ2 TRP 21 -0.910 1.026 -8.264 152 HZ3 TRP 21 HZ3 TRP 21 -4.554 -0.933 -7.089 153 HH2 TRP 21 HH2 TRP 21 -2.974 0.971 -6.877 154 H HIS 22 H HIS 22 -2.419 -6.971 -8.131 155 HA HIS 22 HA HIS 22 -3.773 -8.999 -9.455 156 1HB HIS 22 2HB HIS 22 -5.040 -8.034 -6.914 157 2HB HIS 22 1HB HIS 22 -4.642 -9.683 -7.413 158 HD1 HIS 22 HD1 HIS 22 -3.056 -6.538 -6.069 159 HD2 HIS 22 HD2 HIS 22 -2.045 -10.530 -6.706 160 HE1 HIS 22 HE1 HIS 22 -0.775 -6.865 -5.055 161 H LYS 23 H LYS 23 -5.530 -6.283 -7.906 162 HA LYS 23 HA LYS 23 -7.802 -6.794 -9.735 163 1HB LYS 23 2HB LYS 23 -7.416 -5.466 -7.128 164 2HB LYS 23 1HB LYS 23 -8.532 -4.632 -8.212 165 1HG LYS 23 2HG LYS 23 -10.012 -6.116 -7.253 166 2HG LYS 23 1HG LYS 23 -9.432 -7.126 -8.578 167 1HD LYS 23 2HD LYS 23 -7.634 -7.973 -6.986 168 2HD LYS 23 1HD LYS 23 -8.522 -7.166 -5.693 169 1HE LYS 23 2HE LYS 23 -9.856 -9.123 -7.568 170 2HE LYS 23 1HE LYS 23 -9.071 -9.643 -6.078 171 1HZ LYS 23 1HZ LYS 23 -11.091 -7.484 -6.103 172 2HZ LYS 23 3HZ LYS 23 -11.535 -9.116 -5.968 173 3HZ LYS 23 2HZ LYS 23 -10.544 -8.405 -4.784 174 H LYS 24 H LYS 24 -8.876 -4.352 -10.177 175 HA LYS 24 HA LYS 24 -6.709 -2.684 -11.366 176 1HB LYS 24 2HB LYS 24 -8.485 -2.409 -13.316 177 2HB LYS 24 1HB LYS 24 -7.357 -3.764 -13.319 178 1HG LYS 24 2HG LYS 24 -9.849 -4.215 -11.791 179 2HG LYS 24 1HG LYS 24 -10.059 -4.046 -13.535 180 1HD LYS 24 2HD LYS 24 -7.806 -5.767 -12.645 181 2HD LYS 24 1HD LYS 24 -9.430 -6.397 -12.363 182 1HE LYS 24 2HE LYS 24 -9.086 -5.199 -15.023 183 2HE LYS 24 1HE LYS 24 -8.053 -6.599 -14.743 184 1HZ LYS 24 1HZ LYS 24 -10.704 -6.999 -13.762 185 2HZ LYS 24 3HZ LYS 24 -10.696 -6.655 -15.423 186 3HZ LYS 24 2HZ LYS 24 -9.788 -7.960 -14.823 187 HA PRO 25 HA PRO 25 -9.099 0.691 -9.906 188 1HB PRO 25 2HB PRO 25 -8.557 2.580 -11.830 189 2HB PRO 25 1HB PRO 25 -7.388 2.073 -10.599 190 1HG PRO 25 2HG PRO 25 -7.475 1.386 -13.501 191 2HG PRO 25 1HG PRO 25 -6.084 1.465 -12.409 192 1HD PRO 25 2HD PRO 25 -7.384 -0.897 -13.257 193 2HD PRO 25 1HD PRO 25 -6.232 -0.769 -11.911 194 H GLY 26 H GLY 26 -11.256 -0.193 -10.245 195 1HA GLY 26 2HA GLY 26 -13.100 1.290 -11.643 196 2HA GLY 26 1HA GLY 26 -12.565 0.106 -12.842 197 H GLU 27 H GLU 27 -12.076 -1.849 -10.554 198 HA GLU 27 HA GLU 27 -14.867 -2.843 -10.455 199 1HB GLU 27 2HB GLU 27 -12.361 -4.240 -9.487 200 2HB GLU 27 1HB GLU 27 -13.921 -4.971 -9.867 201 1HG GLU 27 2HG GLU 27 -12.257 -3.489 -11.915 202 2HG GLU 27 1HG GLU 27 -12.144 -5.231 -11.665 203 H ALA 28 H ALA 28 -14.991 -4.264 -8.161 204 HA ALA 28 HA ALA 28 -14.738 -2.146 -6.074 205 1HB ALA 28 2HB ALA 28 -16.534 -4.575 -6.299 206 2HB ALA 28 1HB ALA 28 -16.415 -3.595 -4.837 207 3HB ALA 28 3HB ALA 28 -17.014 -2.878 -6.333 208 H VAL 29 H VAL 29 -13.821 -2.691 -4.032 209 HA VAL 29 HA VAL 29 -12.278 -5.256 -4.022 210 HB VAL 29 HB VAL 29 -10.519 -4.094 -2.781 211 1HG1 VAL 29 3HG1 VAL 29 -11.075 -3.780 -5.448 212 2HG1 VAL 29 2HG1 VAL 29 -10.935 -2.103 -4.919 213 3HG1 VAL 29 1HG1 VAL 29 -9.595 -3.222 -4.668 214 1HG2 VAL 29 2HG2 VAL 29 -12.581 -1.921 -2.771 215 2HG2 VAL 29 1HG2 VAL 29 -11.497 -2.440 -1.481 216 3HG2 VAL 29 3HG2 VAL 29 -10.880 -1.457 -2.808 217 H LYS 30 H LYS 30 -11.582 -5.729 -1.603 218 HA LYS 30 HA LYS 30 -13.923 -5.156 0.169 219 1HB LYS 30 2HB LYS 30 -13.842 -7.518 -0.823 220 2HB LYS 30 1HB LYS 30 -12.399 -7.768 0.161 221 1HG LYS 30 2HG LYS 30 -14.475 -6.569 1.766 222 2HG LYS 30 1HG LYS 30 -15.091 -8.023 0.982 223 1HD LYS 30 2HD LYS 30 -12.417 -8.512 1.932 224 2HD LYS 30 1HD LYS 30 -13.403 -7.879 3.252 225 1HE LYS 30 2HE LYS 30 -14.038 -10.068 3.449 226 2HE LYS 30 1HE LYS 30 -15.160 -9.629 2.162 227 1HZ LYS 30 1HZ LYS 30 -13.481 -10.351 0.547 228 2HZ LYS 30 3HZ LYS 30 -12.478 -10.856 1.818 229 3HZ LYS 30 2HZ LYS 30 -13.976 -11.617 1.565 230 H ARG 31 H ARG 31 -13.345 -4.369 2.147 231 HA ARG 31 HA ARG 31 -10.850 -3.443 2.843 232 1HB ARG 31 2HB ARG 31 -12.725 -2.874 4.228 233 2HB ARG 31 1HB ARG 31 -13.013 -4.566 4.637 234 1HG ARG 31 2HG ARG 31 -11.027 -4.691 5.954 235 2HG ARG 31 1HG ARG 31 -10.424 -3.160 5.316 236 1HD ARG 31 2HD ARG 31 -12.619 -2.163 6.330 237 2HD ARG 31 1HD ARG 31 -12.636 -3.637 7.297 238 HE ARG 31 HE ARG 31 -10.298 -1.770 7.303 239 1HH1 ARG 31 2HH1 ARG 31 -9.823 -4.241 8.767 240 2HH1 ARG 31 1HH1 ARG 31 -10.376 -3.882 10.369 241 1HH2 ARG 31 1HH2 ARG 31 -12.220 -1.111 9.397 242 2HH2 ARG 31 2HH2 ARG 31 -11.733 -2.109 10.726 243 H ASP 32 H ASP 32 -8.983 -4.294 3.782 244 HA ASP 32 HA ASP 32 -7.444 -5.936 4.452 245 1HB ASP 32 2HB ASP 32 -9.571 -6.463 5.964 246 2HB ASP 32 1HB ASP 32 -9.642 -7.904 4.950 247 H GLU 33 H GLU 33 -7.974 -5.721 1.725 248 HA GLU 33 HA GLU 33 -7.642 -8.560 0.880 249 1HB GLU 33 2HB GLU 33 -9.983 -7.646 0.392 250 2HB GLU 33 1HB GLU 33 -9.206 -6.549 -0.750 251 1HG GLU 33 2HG GLU 33 -8.740 -8.218 -2.240 252 2HG GLU 33 1HG GLU 33 -8.419 -9.399 -0.970 253 H LEU 34 H LEU 34 -5.762 -8.767 -0.233 254 HA LEU 34 HA LEU 34 -3.888 -6.813 -0.720 255 1HB LEU 34 2HB LEU 34 -3.507 -9.240 -1.090 256 2HB LEU 34 1HB LEU 34 -4.462 -9.146 -2.569 257 HG LEU 34 HG LEU 34 -2.881 -7.516 -3.508 258 1HD1 LEU 34 2HD1 LEU 34 -1.976 -7.472 -0.724 259 2HD1 LEU 34 1HD1 LEU 34 -0.646 -7.650 -1.868 260 3HD1 LEU 34 3HD1 LEU 34 -1.742 -6.275 -1.998 261 1HD2 LEU 34 1HD2 LEU 34 -1.778 -10.112 -2.428 262 2HD2 LEU 34 3HD2 LEU 34 -2.309 -9.746 -4.070 263 3HD2 LEU 34 2HD2 LEU 34 -0.802 -9.062 -3.457 264 H ILE 35 H ILE 35 -3.348 -5.471 -2.535 265 HA ILE 35 HA ILE 35 -5.462 -5.168 -4.609 266 HB ILE 35 HB ILE 35 -4.362 -2.966 -2.842 267 1HG1 ILE 35 2HG1 ILE 35 -7.120 -4.102 -3.380 268 2HG1 ILE 35 1HG1 ILE 35 -6.252 -4.072 -1.845 269 1HG2 ILE 35 3HG2 ILE 35 -4.438 -2.365 -5.298 270 2HG2 ILE 35 2HG2 ILE 35 -6.175 -2.671 -5.252 271 3HG2 ILE 35 1HG2 ILE 35 -5.481 -1.379 -4.272 272 1HD1 ILE 35 1HD1 ILE 35 -7.127 -1.597 -3.359 273 2HD1 ILE 35 3HD1 ILE 35 -8.013 -2.300 -2.006 274 3HD1 ILE 35 2HD1 ILE 35 -6.394 -1.646 -1.754 275 H VAL 36 H VAL 36 -2.180 -4.371 -3.511 276 HA VAL 36 HA VAL 36 -1.219 -4.685 -6.274 277 HB VAL 36 HB VAL 36 -1.901 -2.267 -6.066 278 1HG1 VAL 36 2HG1 VAL 36 -1.369 -2.010 -3.668 279 2HG1 VAL 36 1HG1 VAL 36 0.344 -2.238 -4.025 280 3HG1 VAL 36 3HG1 VAL 36 -0.504 -0.818 -4.639 281 1HG2 VAL 36 3HG2 VAL 36 1.012 -3.004 -6.441 282 2HG2 VAL 36 2HG2 VAL 36 -0.217 -2.790 -7.688 283 3HG2 VAL 36 1HG2 VAL 36 0.386 -1.393 -6.795 284 H ASP 37 H ASP 37 0.764 -5.653 -6.209 285 HA ASP 37 HA ASP 37 2.093 -5.864 -3.562 286 1HB ASP 37 2HB ASP 37 2.179 -7.452 -6.109 287 2HB ASP 37 1HB ASP 37 3.533 -7.551 -4.982 288 H ILE 38 H ILE 38 4.366 -5.401 -3.352 289 HA ILE 38 HA ILE 38 5.391 -3.558 -5.474 290 HB ILE 38 HB ILE 38 6.268 -3.515 -2.587 291 1HG1 ILE 38 2HG1 ILE 38 3.909 -2.106 -3.870 292 2HG1 ILE 38 1HG1 ILE 38 3.866 -3.220 -2.502 293 1HG2 ILE 38 2HG2 ILE 38 6.882 -2.064 -5.004 294 2HG2 ILE 38 1HG2 ILE 38 6.194 -0.963 -3.809 295 3HG2 ILE 38 3HG2 ILE 38 7.623 -1.916 -3.410 296 1HD1 ILE 38 1HD1 ILE 38 5.732 -1.070 -1.986 297 2HD1 ILE 38 3HD1 ILE 38 4.145 -0.418 -2.394 298 3HD1 ILE 38 2HD1 ILE 38 4.314 -1.554 -1.055 299 H GLU 39 H GLU 39 7.582 -3.791 -6.086 300 HA GLU 39 HA GLU 39 8.867 -6.316 -5.123 301 1HB GLU 39 2HB GLU 39 8.136 -5.797 -7.670 302 2HB GLU 39 1HB GLU 39 9.745 -5.075 -7.680 303 1HG GLU 39 2HG GLU 39 9.676 -7.681 -6.340 304 2HG GLU 39 1HG GLU 39 9.195 -7.767 -8.035 305 H THR 40 H THR 40 10.457 -5.794 -3.694 306 HA THR 40 HA THR 40 12.039 -3.314 -4.203 307 HB THR 40 HB THR 40 10.811 -3.725 -1.962 308 HG1 THR 40 HG1 THR 40 12.176 -2.221 -1.514 309 1HG2 THR 40 1HG2 THR 40 11.775 -6.148 -1.941 310 2HG2 THR 40 3HG2 THR 40 13.234 -5.382 -1.309 311 3HG2 THR 40 2HG2 THR 40 11.714 -5.245 -0.425 312 H ASP 41 H ASP 41 14.218 -4.239 -2.465 313 HA ASP 41 HA ASP 41 16.053 -5.234 -4.258 314 1HB ASP 41 2HB ASP 41 16.018 -4.803 -1.509 315 2HB ASP 41 1HB ASP 41 16.398 -6.520 -1.658 316 H LYS 42 H LYS 42 14.657 -7.448 -1.821 317 HA LYS 42 HA LYS 42 14.181 -9.440 -3.972 318 1HB LYS 42 2HB LYS 42 15.772 -10.080 -1.470 319 2HB LYS 42 1HB LYS 42 15.405 -11.181 -2.799 320 1HG LYS 42 2HG LYS 42 16.588 -9.380 -4.283 321 2HG LYS 42 1HG LYS 42 17.291 -8.837 -2.758 322 1HD LYS 42 2HD LYS 42 17.365 -11.764 -3.298 323 2HD LYS 42 1HD LYS 42 18.436 -10.750 -4.266 324 1HE LYS 42 2HE LYS 42 18.293 -10.785 -1.236 325 2HE LYS 42 1HE LYS 42 19.576 -11.494 -2.216 326 1HZ LYS 42 3HZ LYS 42 19.323 -8.912 -3.112 327 2HZ LYS 42 2HZ LYS 42 19.202 -8.788 -1.422 328 3HZ LYS 42 1HZ LYS 42 20.562 -9.524 -2.127 329 H VAL 43 H VAL 43 12.359 -7.880 -2.356 330 HA VAL 43 HA VAL 43 10.892 -10.126 -1.099 331 HB VAL 43 HB VAL 43 11.074 -7.529 0.406 332 1HG1 VAL 43 2HG1 VAL 43 10.007 -10.239 0.783 333 2HG1 VAL 43 1HG1 VAL 43 10.954 -9.667 2.157 334 3HG1 VAL 43 3HG1 VAL 43 9.567 -8.735 1.594 335 1HG2 VAL 43 1HG2 VAL 43 13.091 -9.767 0.319 336 2HG2 VAL 43 3HG2 VAL 43 13.373 -8.027 0.322 337 3HG2 VAL 43 2HG2 VAL 43 12.852 -8.837 1.798 338 H VAL 44 H VAL 44 8.634 -9.827 -1.175 339 HA VAL 44 HA VAL 44 7.759 -7.432 -2.733 340 HB VAL 44 HB VAL 44 7.380 -9.612 -3.846 341 1HG1 VAL 44 2HG1 VAL 44 6.863 -10.524 -1.296 342 2HG1 VAL 44 1HG1 VAL 44 5.246 -10.431 -1.995 343 3HG1 VAL 44 3HG1 VAL 44 6.491 -11.405 -2.777 344 1HG2 VAL 44 1HG2 VAL 44 5.497 -7.562 -3.378 345 2HG2 VAL 44 3HG2 VAL 44 5.496 -8.720 -4.708 346 3HG2 VAL 44 2HG2 VAL 44 4.601 -9.074 -3.231 347 H MET 45 H MET 45 6.282 -6.068 -1.802 348 HA MET 45 HA MET 45 5.257 -6.837 0.893 349 1HB MET 45 2HB MET 45 5.997 -4.243 -0.401 350 2HB MET 45 1HB MET 45 4.726 -4.227 0.823 351 1HG MET 45 2HG MET 45 6.507 -5.747 2.125 352 2HG MET 45 1HG MET 45 7.630 -4.840 1.112 353 1HE MET 45 1HE MET 45 8.802 -3.524 2.070 354 2HE MET 45 3HE MET 45 8.424 -2.041 2.958 355 3HE MET 45 2HE MET 45 8.570 -3.572 3.816 356 H GLU 46 H GLU 46 3.106 -7.245 1.091 357 HA GLU 46 HA GLU 46 1.359 -6.906 -1.236 358 1HB GLU 46 2HB GLU 46 0.380 -7.710 1.490 359 2HB GLU 46 1HB GLU 46 -0.168 -8.261 -0.095 360 1HG GLU 46 2HG GLU 46 2.100 -9.348 -0.393 361 2HG GLU 46 1HG GLU 46 2.421 -8.977 1.301 362 H VAL 47 H VAL 47 -0.042 -5.226 -1.547 363 HA VAL 47 HA VAL 47 -0.403 -3.318 0.730 364 HB VAL 47 HB VAL 47 -0.402 -2.769 -2.254 365 1HG1 VAL 47 1HG1 VAL 47 -1.986 -1.370 -0.875 366 2HG1 VAL 47 3HG1 VAL 47 -0.594 -0.818 0.057 367 3HG1 VAL 47 2HG1 VAL 47 -0.708 -0.445 -1.663 368 1HG2 VAL 47 2HG2 VAL 47 1.544 -2.066 -0.032 369 2HG2 VAL 47 1HG2 VAL 47 1.847 -3.158 -1.383 370 3HG2 VAL 47 3HG2 VAL 47 1.635 -1.431 -1.675 371 H LEU 48 H LEU 48 -2.390 -3.944 1.549 372 HA LEU 48 HA LEU 48 -4.610 -4.374 -0.374 373 1HB LEU 48 2HB LEU 48 -5.659 -4.951 2.073 374 2HB LEU 48 1HB LEU 48 -4.896 -6.141 1.030 375 HG LEU 48 HG LEU 48 -2.721 -5.666 2.179 376 1HD1 LEU 48 1HD1 LEU 48 -3.513 -3.354 2.941 377 2HD1 LEU 48 3HD1 LEU 48 -4.412 -4.189 4.208 378 3HD1 LEU 48 2HD1 LEU 48 -2.654 -4.313 4.148 379 1HD2 LEU 48 1HD2 LEU 48 -5.079 -6.562 3.863 380 2HD2 LEU 48 3HD2 LEU 48 -4.002 -7.583 2.910 381 3HD2 LEU 48 2HD2 LEU 48 -3.397 -6.767 4.352 382 H ALA 49 H ALA 49 -6.736 -3.388 0.264 383 HA ALA 49 HA ALA 49 -6.345 -0.570 0.938 384 1HB ALA 49 3HB ALA 49 -8.518 -2.256 -0.143 385 2HB ALA 49 2HB ALA 49 -9.057 -0.911 0.860 386 3HB ALA 49 1HB ALA 49 -8.061 -0.606 -0.562 387 H GLU 50 H GLU 50 -7.013 0.457 2.837 388 HA GLU 50 HA GLU 50 -7.343 -1.281 5.177 389 1HB GLU 50 2HB GLU 50 -6.465 1.411 4.674 390 2HB GLU 50 1HB GLU 50 -7.754 1.441 5.877 391 1HG GLU 50 2HG GLU 50 -6.558 0.148 7.394 392 2HG GLU 50 1HG GLU 50 -5.584 -0.610 6.134 393 H ALA 51 H ALA 51 -9.471 -0.477 2.904 394 HA ALA 51 HA ALA 51 -11.777 -0.975 4.518 395 1HB ALA 51 3HB ALA 51 -11.153 1.907 3.878 396 2HB ALA 51 2HB ALA 51 -12.813 1.361 4.116 397 3HB ALA 51 1HB ALA 51 -11.639 1.207 5.423 398 H ASP 52 H ASP 52 -13.530 -1.456 3.182 399 HA ASP 52 HA ASP 52 -13.056 -1.929 0.426 400 1HB ASP 52 2HB ASP 52 -14.816 -3.200 1.184 401 2HB ASP 52 1HB ASP 52 -15.458 -1.918 2.203 402 H GLY 53 H GLY 53 -14.491 -0.915 -1.337 403 1HA GLY 53 2HA GLY 53 -15.712 1.501 -1.453 404 2HA GLY 53 1HA GLY 53 -14.027 1.998 -1.263 405 H VAL 54 H VAL 54 -13.773 2.859 -3.350 406 HA VAL 54 HA VAL 54 -13.670 0.815 -5.515 407 HB VAL 54 HB VAL 54 -15.029 3.518 -5.642 408 1HG1 VAL 54 2HG1 VAL 54 -14.191 1.663 -7.891 409 2HG1 VAL 54 1HG1 VAL 54 -15.293 3.026 -8.082 410 3HG1 VAL 54 3HG1 VAL 54 -13.616 3.307 -7.616 411 1HG2 VAL 54 2HG2 VAL 54 -16.063 1.083 -5.018 412 2HG2 VAL 54 1HG2 VAL 54 -16.979 2.336 -5.856 413 3HG2 VAL 54 3HG2 VAL 54 -16.212 1.042 -6.775 414 H ILE 55 H ILE 55 -11.691 0.873 -6.457 415 HA ILE 55 HA ILE 55 -9.658 2.708 -5.721 416 HB ILE 55 HB ILE 55 -9.950 0.899 -8.125 417 1HG1 ILE 55 2HG1 ILE 55 -8.547 0.787 -5.452 418 2HG1 ILE 55 1HG1 ILE 55 -9.688 -0.369 -6.138 419 1HG2 ILE 55 2HG2 ILE 55 -7.563 2.554 -7.242 420 2HG2 ILE 55 1HG2 ILE 55 -7.523 1.310 -8.492 421 3HG2 ILE 55 3HG2 ILE 55 -8.480 2.771 -8.732 422 1HD1 ILE 55 3HD1 ILE 55 -7.846 -0.568 -8.029 423 2HD1 ILE 55 2HD1 ILE 55 -6.784 0.019 -6.748 424 3HD1 ILE 55 1HD1 ILE 55 -7.691 -1.477 -6.525 425 H ALA 56 H ALA 56 -8.583 4.314 -7.168 426 HA ALA 56 HA ALA 56 -10.639 5.897 -8.616 427 1HB ALA 56 2HB ALA 56 -7.856 6.605 -7.644 428 2HB ALA 56 1HB ALA 56 -8.913 7.712 -8.520 429 3HB ALA 56 3HB ALA 56 -9.383 7.119 -6.928 430 H GLU 57 H GLU 57 -7.138 5.314 -9.118 431 HA GLU 57 HA GLU 57 -7.468 4.122 -11.706 432 1HB GLU 57 2HB GLU 57 -8.161 6.648 -11.982 433 2HB GLU 57 1HB GLU 57 -6.419 6.926 -11.950 434 1HG GLU 57 2HG GLU 57 -6.053 5.703 -13.908 435 2HG GLU 57 1HG GLU 57 -7.551 4.790 -13.735 436 H ILE 58 H ILE 58 -5.509 3.246 -12.342 437 HA ILE 58 HA ILE 58 -3.173 3.902 -10.612 438 HB ILE 58 HB ILE 58 -3.574 1.535 -12.465 439 1HG1 ILE 58 2HG1 ILE 58 -5.240 1.381 -10.741 440 2HG1 ILE 58 1HG1 ILE 58 -3.917 0.315 -10.253 441 1HG2 ILE 58 2HG2 ILE 58 -1.218 2.115 -11.928 442 2HG2 ILE 58 1HG2 ILE 58 -1.604 2.026 -10.210 443 3HG2 ILE 58 3HG2 ILE 58 -1.695 0.577 -11.211 444 1HD1 ILE 58 3HD1 ILE 58 -2.997 2.233 -8.888 445 2HD1 ILE 58 2HD1 ILE 58 -4.485 3.113 -9.239 446 3HD1 ILE 58 1HD1 ILE 58 -4.547 1.610 -8.318 447 H VAL 59 H VAL 59 -1.659 5.214 -11.497 448 HA VAL 59 HA VAL 59 -1.618 5.609 -14.425 449 HB VAL 59 HB VAL 59 0.099 6.939 -12.311 450 1HG1 VAL 59 2HG1 VAL 59 -0.075 7.075 -15.199 451 2HG1 VAL 59 1HG1 VAL 59 -0.467 8.639 -14.485 452 3HG1 VAL 59 3HG1 VAL 59 1.074 7.864 -14.119 453 1HG2 VAL 59 1HG2 VAL 59 -2.325 7.249 -11.854 454 2HG2 VAL 59 3HG2 VAL 59 -1.556 8.755 -12.353 455 3HG2 VAL 59 2HG2 VAL 59 -2.543 7.848 -13.497 456 H LYS 60 H LYS 60 0.095 3.857 -11.999 457 HA LYS 60 HA LYS 60 2.458 3.512 -13.768 458 1HB LYS 60 2HB LYS 60 2.038 3.499 -10.926 459 2HB LYS 60 1HB LYS 60 2.680 1.930 -11.414 460 1HG LYS 60 2HG LYS 60 4.671 3.070 -11.213 461 2HG LYS 60 1HG LYS 60 4.290 3.488 -12.885 462 1HD LYS 60 2HD LYS 60 2.958 5.293 -11.045 463 2HD LYS 60 1HD LYS 60 4.698 5.280 -10.759 464 1HE LYS 60 2HE LYS 60 5.178 5.892 -13.008 465 2HE LYS 60 1HE LYS 60 3.535 5.534 -13.535 466 1HZ LYS 60 1HZ LYS 60 3.449 7.411 -11.445 467 2HZ LYS 60 3HZ LYS 60 4.543 7.960 -12.619 468 3HZ LYS 60 2HZ LYS 60 2.942 7.594 -13.056 469 H ASN 61 H ASN 61 2.735 1.659 -14.941 470 HA ASN 61 HA ASN 61 0.655 -0.446 -14.665 471 1HB ASN 61 2HB ASN 61 2.602 0.315 -16.839 472 2HB ASN 61 1HB ASN 61 1.812 -1.262 -16.846 473 1HD2 ASN 61 2HD2 ASN 61 -0.287 2.028 -17.937 474 2HD2 ASN 61 1HD2 ASN 61 1.367 2.116 -17.528 475 H GLU 62 H GLU 62 1.324 -2.712 -14.619 476 HA GLU 62 HA GLU 62 3.271 -3.347 -12.706 477 1HB GLU 62 2HB GLU 62 2.382 -5.080 -15.034 478 2HB GLU 62 1HB GLU 62 3.142 -5.655 -13.548 479 1HG GLU 62 2HG GLU 62 1.250 -4.733 -12.237 480 2HG GLU 62 1HG GLU 62 0.478 -4.217 -13.741 481 H GLY 63 H GLY 63 5.449 -4.076 -12.858 482 1HA GLY 63 2HA GLY 63 7.584 -4.321 -13.833 483 2HA GLY 63 1HA GLY 63 6.824 -4.186 -15.423 484 H ASP 64 H ASP 64 6.081 -1.706 -13.142 485 HA ASP 64 HA ASP 64 7.717 0.183 -14.756 486 1HB ASP 64 2HB ASP 64 5.603 1.087 -14.756 487 2HB ASP 64 1HB ASP 64 5.178 0.390 -13.194 488 H THR 65 H THR 65 8.578 2.087 -13.403 489 HA THR 65 HA THR 65 9.927 0.943 -10.994 490 HB THR 65 HB THR 65 10.728 3.248 -12.798 491 HG1 THR 65 HG1 THR 65 11.486 1.615 -13.872 492 1HG2 THR 65 3HG2 THR 65 11.320 3.379 -10.289 493 2HG2 THR 65 2HG2 THR 65 12.387 2.010 -10.605 494 3HG2 THR 65 1HG2 THR 65 12.643 3.540 -11.444 495 H VAL 66 H VAL 66 9.577 1.892 -9.023 496 HA VAL 66 HA VAL 66 7.755 4.245 -8.971 497 HB VAL 66 HB VAL 66 7.329 3.617 -6.635 498 1HG1 VAL 66 3HG1 VAL 66 6.986 1.745 -8.896 499 2HG1 VAL 66 2HG1 VAL 66 6.791 1.020 -7.300 500 3HG1 VAL 66 1HG1 VAL 66 5.786 2.389 -7.775 501 1HG2 VAL 66 1HG2 VAL 66 9.835 2.269 -6.959 502 2HG2 VAL 66 3HG2 VAL 66 8.882 2.459 -5.486 503 3HG2 VAL 66 2HG2 VAL 66 8.616 1.067 -6.536 504 H LEU 67 H LEU 67 8.227 5.902 -7.254 505 HA LEU 67 HA LEU 67 11.083 6.084 -6.479 506 1HB LEU 67 2HB LEU 67 9.996 7.494 -8.698 507 2HB LEU 67 1HB LEU 67 10.247 8.670 -7.408 508 HG LEU 67 HG LEU 67 12.416 6.680 -7.915 509 1HD1 LEU 67 3HD1 LEU 67 11.706 9.004 -9.714 510 2HD1 LEU 67 2HD1 LEU 67 13.347 8.364 -9.613 511 3HD1 LEU 67 1HD1 LEU 67 12.030 7.333 -10.174 512 1HD2 LEU 67 1HD2 LEU 67 12.018 9.045 -6.398 513 2HD2 LEU 67 3HD2 LEU 67 13.499 8.101 -6.542 514 3HD2 LEU 67 2HD2 LEU 67 13.197 9.441 -7.647 515 H SER 68 H SER 68 11.391 8.012 -4.964 516 HA SER 68 HA SER 68 9.468 7.906 -2.855 517 1HB SER 68 2HB SER 68 12.001 8.686 -2.900 518 2HB SER 68 1HB SER 68 11.281 10.274 -3.150 519 HG SER 68 HG SER 68 10.784 10.273 -1.118 520 H GLY 69 H GLY 69 7.450 8.760 -2.956 521 1HA GLY 69 2HA GLY 69 5.907 10.589 -3.051 522 2HA GLY 69 1HA GLY 69 7.121 11.537 -3.909 523 H GLU 70 H GLU 70 6.647 8.324 -5.047 524 HA GLU 70 HA GLU 70 5.604 9.367 -7.585 525 1HB GLU 70 2HB GLU 70 7.330 7.539 -7.451 526 2HB GLU 70 1HB GLU 70 6.087 6.485 -6.776 527 1HG GLU 70 2HG GLU 70 5.963 5.979 -9.058 528 2HG GLU 70 1HG GLU 70 4.706 7.205 -8.884 529 H LEU 71 H LEU 71 3.455 9.564 -7.968 530 HA LEU 71 HA LEU 71 1.522 8.331 -6.130 531 1HB LEU 71 2HB LEU 71 1.340 10.686 -7.141 532 2HB LEU 71 1HB LEU 71 0.880 9.884 -8.643 533 HG LEU 71 HG LEU 71 -0.636 8.691 -6.549 534 1HD1 LEU 71 3HD1 LEU 71 -0.539 11.716 -6.491 535 2HD1 LEU 71 2HD1 LEU 71 -1.909 10.797 -5.871 536 3HD1 LEU 71 1HD1 LEU 71 -0.316 10.601 -5.142 537 1HD2 LEU 71 1HD2 LEU 71 -1.179 9.043 -9.008 538 2HD2 LEU 71 3HD2 LEU 71 -2.495 9.414 -7.896 539 3HD2 LEU 71 2HD2 LEU 71 -1.547 10.720 -8.607 540 H LEU 72 H LEU 72 0.780 6.299 -6.481 541 HA LEU 72 HA LEU 72 0.952 5.177 -9.231 542 1HB LEU 72 2HB LEU 72 0.231 3.650 -6.727 543 2HB LEU 72 1HB LEU 72 0.905 3.027 -8.233 544 HG LEU 72 HG LEU 72 2.309 4.771 -6.193 545 1HD1 LEU 72 3HD1 LEU 72 2.109 1.935 -6.628 546 2HD1 LEU 72 2HD1 LEU 72 3.767 2.449 -6.939 547 3HD1 LEU 72 1HD1 LEU 72 3.015 2.794 -5.382 548 1HD2 LEU 72 3HD2 LEU 72 2.738 4.449 -9.057 549 2HD2 LEU 72 2HD2 LEU 72 3.527 5.552 -7.929 550 3HD2 LEU 72 1HD2 LEU 72 4.140 3.910 -8.133 551 H GLY 73 H GLY 73 -1.313 6.350 -6.911 552 1HA GLY 73 2HA GLY 73 -3.522 6.551 -8.526 553 2HA GLY 73 1HA GLY 73 -3.601 4.871 -7.983 554 H LYS 74 H LYS 74 -5.644 6.560 -7.243 555 HA LYS 74 HA LYS 74 -5.092 6.954 -4.330 556 1HB LYS 74 2HB LYS 74 -6.654 8.866 -4.367 557 2HB LYS 74 1HB LYS 74 -5.304 9.138 -5.471 558 1HG LYS 74 2HG LYS 74 -6.792 8.162 -7.308 559 2HG LYS 74 1HG LYS 74 -8.127 8.307 -6.164 560 1HD LYS 74 2HD LYS 74 -8.351 10.438 -6.868 561 2HD LYS 74 1HD LYS 74 -6.842 10.780 -6.022 562 1HE LYS 74 2HE LYS 74 -6.749 9.618 -8.789 563 2HE LYS 74 1HE LYS 74 -7.049 11.344 -8.582 564 1HZ LYS 74 2HZ LYS 74 -5.023 11.168 -6.988 565 2HZ LYS 74 1HZ LYS 74 -4.664 9.776 -7.894 566 3HZ LYS 74 3HZ LYS 74 -4.776 11.282 -8.665 567 H LEU 75 H LEU 75 -7.020 6.653 -2.962 568 HA LEU 75 HA LEU 75 -8.812 4.587 -4.117 569 1HB LEU 75 2HB LEU 75 -7.540 4.262 -1.917 570 2HB LEU 75 1HB LEU 75 -8.651 5.442 -1.221 571 HG LEU 75 HG LEU 75 -10.501 3.914 -2.295 572 1HD1 LEU 75 2HD1 LEU 75 -8.761 2.509 -3.472 573 2HD1 LEU 75 1HD1 LEU 75 -8.259 1.916 -1.889 574 3HD1 LEU 75 3HD1 LEU 75 -9.889 1.585 -2.480 575 1HD2 LEU 75 1HD2 LEU 75 -9.098 3.915 0.250 576 2HD2 LEU 75 3HD2 LEU 75 -10.821 3.714 -0.069 577 3HD2 LEU 75 2HD2 LEU 75 -9.747 2.315 -0.110 578 H THR 76 H THR 76 -11.124 4.759 -3.851 579 HA THR 76 HA THR 76 -12.039 7.593 -3.643 580 HB THR 76 HB THR 76 -13.597 5.270 -4.796 581 HG1 THR 76 HG1 THR 76 -12.805 6.370 -6.815 582 1HG2 THR 76 1HG2 THR 76 -13.880 8.228 -4.632 583 2HG2 THR 76 3HG2 THR 76 -14.375 7.464 -6.143 584 3HG2 THR 76 2HG2 THR 76 -15.122 6.975 -4.622 585 H GLU 77 H GLU 77 -14.380 7.742 -2.755 586 HA GLU 77 HA GLU 77 -14.401 6.728 -0.073 587 1HB GLU 77 2HB GLU 77 -16.563 7.981 -1.785 588 2HB GLU 77 1HB GLU 77 -16.800 7.563 -0.087 589 1HG GLU 77 2HG GLU 77 -14.764 8.968 0.446 590 2HG GLU 77 1HG GLU 77 -14.791 9.520 -1.230 591 H GLY 78 H GLY 78 -16.689 5.607 0.606 592 1HA GLY 78 2HA GLY 78 -17.076 3.280 -1.232 593 2HA GLY 78 1HA GLY 78 -16.872 3.046 0.504 594 H GLY 79 HN GLY 79 -18.977 2.112 0.720 595 1HA GLY 79 2HA GLY 79 -21.064 3.442 1.718 596 2HA GLY 79 1HA GLY 79 -21.296 3.813 0.009 No H/Q in entry = 596 Start of MODEL 19 1 1H ALA 1 3H ALA 1 -9.920 8.627 3.394 2 2H ALA 1 2H ALA 1 -9.884 10.079 2.513 3 3H ALA 1 1H ALA 1 -11.257 9.080 2.454 4 HA ALA 1 HA ALA 1 -10.324 7.593 1.033 5 1HB ALA 1 1HB ALA 1 -9.414 10.361 0.580 6 2HB ALA 1 3HB ALA 1 -8.478 9.140 -0.282 7 3HB ALA 1 2HB ALA 1 -10.222 9.248 -0.524 8 H ILE 2 H ILE 2 -8.145 6.793 0.010 9 HA ILE 2 HA ILE 2 -5.997 6.795 2.082 10 HB ILE 2 HB ILE 2 -7.232 4.401 0.697 11 1HG1 ILE 2 2HG1 ILE 2 -7.151 3.689 3.231 12 2HG1 ILE 2 1HG1 ILE 2 -7.021 5.426 3.515 13 1HG2 ILE 2 1HG2 ILE 2 -4.714 4.351 0.664 14 2HG2 ILE 2 3HG2 ILE 2 -4.742 4.458 2.425 15 3HG2 ILE 2 2HG2 ILE 2 -5.441 3.055 1.615 16 1HD1 ILE 2 1HD1 ILE 2 -9.060 5.118 1.591 17 2HD1 ILE 2 3HD1 ILE 2 -9.356 3.876 2.807 18 3HD1 ILE 2 2HD1 ILE 2 -9.255 5.570 3.284 19 H ASP 3 H ASP 3 -4.733 8.182 0.752 20 HA ASP 3 HA ASP 3 -4.277 7.855 -2.028 21 1HB ASP 3 2HB ASP 3 -3.581 9.853 -0.711 22 2HB ASP 3 1HB ASP 3 -2.315 8.882 0.047 23 H ILE 4 H ILE 4 -3.296 6.213 -3.098 24 HA ILE 4 HA ILE 4 -1.608 4.324 -1.541 25 HB ILE 4 HB ILE 4 -2.684 4.046 -4.362 26 1HG1 ILE 4 2HG1 ILE 4 -3.761 2.753 -1.846 27 2HG1 ILE 4 1HG1 ILE 4 -4.417 4.261 -2.486 28 1HG2 ILE 4 3HG2 ILE 4 -1.304 2.197 -2.414 29 2HG2 ILE 4 2HG2 ILE 4 -2.291 1.574 -3.736 30 3HG2 ILE 4 1HG2 ILE 4 -0.865 2.550 -4.086 31 1HD1 ILE 4 3HD1 ILE 4 -4.181 2.408 -4.651 32 2HD1 ILE 4 2HD1 ILE 4 -5.008 1.597 -3.321 33 3HD1 ILE 4 1HD1 ILE 4 -5.650 3.106 -3.967 34 H LYS 5 H LYS 5 0.567 4.552 -1.688 35 HA LYS 5 HA LYS 5 1.761 5.354 -4.276 36 1HB LYS 5 2HB LYS 5 3.214 7.037 -3.116 37 2HB LYS 5 1HB LYS 5 1.509 7.488 -3.136 38 1HG LYS 5 2HG LYS 5 1.208 6.782 -0.858 39 2HG LYS 5 1HG LYS 5 2.802 6.026 -0.822 40 1HD LYS 5 2HD LYS 5 3.050 8.121 0.301 41 2HD LYS 5 1HD LYS 5 3.764 8.343 -1.297 42 1HE LYS 5 2HE LYS 5 2.390 10.258 -0.954 43 2HE LYS 5 1HE LYS 5 1.471 9.213 -2.037 44 1HZ LYS 5 1HZ LYS 5 0.320 8.327 -0.060 45 2HZ LYS 5 3HZ LYS 5 1.126 9.470 0.900 46 3HZ LYS 5 2HZ LYS 5 0.042 9.986 -0.302 47 H ALA 6 H ALA 6 4.226 5.115 -4.128 48 HA ALA 6 HA ALA 6 4.832 2.529 -2.971 49 1HB ALA 6 1HB ALA 6 5.998 4.274 -4.898 50 2HB ALA 6 3HB ALA 6 7.222 3.955 -3.669 51 3HB ALA 6 2HB ALA 6 6.459 2.614 -4.523 52 HA PRO 7 HA PRO 7 6.296 3.864 0.950 53 1HB PRO 7 2HB PRO 7 7.893 1.704 1.530 54 2HB PRO 7 1HB PRO 7 6.123 1.661 1.605 55 1HG PRO 7 2HG PRO 7 7.944 0.489 -0.448 56 2HG PRO 7 1HG PRO 7 6.315 -0.020 0.030 57 1HD PRO 7 2HD PRO 7 6.977 1.470 -2.286 58 2HD PRO 7 1HD PRO 7 5.342 1.237 -1.623 59 H THR 8 H THR 8 7.908 5.317 1.427 60 HA THR 8 HA THR 8 10.043 6.010 -0.204 61 HB THR 8 HB THR 8 9.587 7.464 1.609 62 HG1 THR 8 HG1 THR 8 11.881 6.172 2.593 63 1HG2 THR 8 2HG2 THR 8 9.458 4.933 3.102 64 2HG2 THR 8 1HG2 THR 8 10.221 6.250 3.991 65 3HG2 THR 8 3HG2 THR 8 8.583 6.441 3.366 66 H PHE 9 H PHE 9 12.191 5.329 -0.439 67 HA PHE 9 HA PHE 9 12.781 2.646 0.720 68 1HB PHE 9 2HB PHE 9 14.127 4.091 -1.585 69 2HB PHE 9 1HB PHE 9 14.417 2.421 -1.086 70 HD1 PHE 9 HD1 PHE 9 11.706 1.453 -0.494 71 HD2 PHE 9 HD2 PHE 9 13.099 3.955 -3.699 72 HE1 PHE 9 HE1 PHE 9 9.808 0.702 -1.904 73 HE2 PHE 9 HE2 PHE 9 11.201 3.204 -5.110 74 HZ PHE 9 HZ PHE 9 9.555 1.577 -4.212 75 HA PRO 10 HA PRO 10 15.969 4.347 3.215 76 1HB PRO 10 2HB PRO 10 17.561 2.117 3.445 77 2HB PRO 10 1HB PRO 10 16.019 2.312 4.298 78 1HG PRO 10 2HG PRO 10 16.652 0.612 1.931 79 2HG PRO 10 1HG PRO 10 15.400 0.396 3.164 80 1HD PRO 10 2HD PRO 10 14.995 1.409 0.551 81 2HD PRO 10 1HD PRO 10 13.836 1.492 1.897 82 H GLU 11 H GLU 11 18.356 4.784 3.203 83 HA GLU 11 HA GLU 11 19.358 5.784 0.815 84 1HB GLU 11 2HB GLU 11 21.691 5.170 1.936 85 2HB GLU 11 1HB GLU 11 20.657 6.420 2.625 86 1HG GLU 11 2HG GLU 11 20.274 5.214 4.497 87 2HG GLU 11 1HG GLU 11 19.959 3.743 3.575 88 H SER 12 H SER 12 20.028 2.532 2.155 89 HA SER 12 HA SER 12 21.716 1.490 0.246 90 1HB SER 12 2HB SER 12 20.084 0.417 2.230 91 2HB SER 12 1HB SER 12 19.518 -0.366 0.753 92 HG SER 12 HG SER 12 21.205 -1.589 1.305 93 H ILE 13 H ILE 13 18.144 1.276 -0.022 94 HA ILE 13 HA ILE 13 18.432 0.785 -2.923 95 HB ILE 13 HB ILE 13 16.009 0.858 -1.100 96 1HG1 ILE 13 2HG1 ILE 13 16.382 -1.651 -2.348 97 2HG1 ILE 13 1HG1 ILE 13 17.975 -1.151 -1.779 98 1HG2 ILE 13 1HG2 ILE 13 16.315 0.657 -4.063 99 2HG2 ILE 13 3HG2 ILE 13 15.117 -0.387 -3.297 100 3HG2 ILE 13 2HG2 ILE 13 15.007 1.364 -3.114 101 1HD1 ILE 13 2HD1 ILE 13 15.993 -0.533 0.224 102 2HD1 ILE 13 1HD1 ILE 13 15.868 -2.232 -0.233 103 3HD1 ILE 13 3HD1 ILE 13 17.402 -1.587 0.352 104 H ALA 14 H ALA 14 18.061 2.341 -4.454 105 HA ALA 14 HA ALA 14 17.097 4.995 -3.473 106 1HB ALA 14 1HB ALA 14 19.403 4.280 -4.961 107 2HB ALA 14 3HB ALA 14 18.330 5.132 -6.072 108 3HB ALA 14 2HB ALA 14 18.839 5.905 -4.570 109 H ASP 15 H ASP 15 15.497 2.630 -4.455 110 HA ASP 15 HA ASP 15 13.524 4.026 -5.930 111 1HB ASP 15 2HB ASP 15 13.943 2.617 -8.127 112 2HB ASP 15 1HB ASP 15 14.782 4.149 -7.886 113 H GLY 16 H GLY 16 12.265 2.088 -7.357 114 1HA GLY 16 2HA GLY 16 12.352 -0.479 -5.950 115 2HA GLY 16 1HA GLY 16 10.922 0.487 -5.586 116 H THR 17 H THR 17 10.070 -1.648 -6.696 117 HA THR 17 HA THR 17 9.409 -0.891 -9.474 118 HB THR 17 HB THR 17 10.590 -3.599 -8.780 119 HG1 THR 17 HG1 THR 17 11.565 -1.316 -10.120 120 1HG2 THR 17 1HG2 THR 17 8.714 -3.264 -10.608 121 2HG2 THR 17 3HG2 THR 17 10.049 -2.608 -11.556 122 3HG2 THR 17 2HG2 THR 17 10.124 -4.264 -10.956 123 H VAL 18 H VAL 18 7.234 -1.110 -9.636 124 HA VAL 18 HA VAL 18 5.524 -2.120 -7.679 125 HB VAL 18 HB VAL 18 5.020 -2.261 -10.667 126 1HG1 VAL 18 1HG1 VAL 18 3.257 -2.230 -8.212 127 2HG1 VAL 18 3HG1 VAL 18 2.644 -1.774 -9.802 128 3HG1 VAL 18 2HG1 VAL 18 3.270 -3.400 -9.532 129 1HG2 VAL 18 2HG2 VAL 18 4.989 0.006 -8.687 130 2HG2 VAL 18 1HG2 VAL 18 5.625 -0.022 -10.332 131 3HG2 VAL 18 3HG2 VAL 18 3.883 0.025 -10.062 132 H ALA 19 H ALA 19 4.083 -4.136 -7.921 133 HA ALA 19 HA ALA 19 5.829 -6.446 -8.661 134 1HB ALA 19 3HB ALA 19 4.716 -5.912 -6.223 135 2HB ALA 19 2HB ALA 19 3.476 -6.940 -6.940 136 3HB ALA 19 1HB ALA 19 5.129 -7.533 -6.783 137 H THR 20 H THR 20 2.303 -6.131 -8.151 138 HA THR 20 HA THR 20 1.754 -6.646 -10.977 139 HB THR 20 HB THR 20 1.260 -8.777 -8.880 140 HG1 THR 20 HG1 THR 20 3.270 -8.878 -9.864 141 1HG2 THR 20 3HG2 THR 20 -0.740 -8.447 -10.301 142 2HG2 THR 20 2HG2 THR 20 0.263 -8.636 -11.739 143 3HG2 THR 20 1HG2 THR 20 0.044 -9.992 -10.633 144 H TRP 21 H TRP 21 -0.270 -5.855 -11.474 145 HA TRP 21 HA TRP 21 -1.863 -4.748 -9.261 146 1HB TRP 21 2HB TRP 21 -1.677 -4.376 -12.215 147 2HB TRP 21 1HB TRP 21 -3.226 -4.036 -11.446 148 HD1 TRP 21 HD1 TRP 21 0.270 -2.707 -11.836 149 HE1 TRP 21 HE1 TRP 21 0.475 -0.448 -10.597 150 HE3 TRP 21 HE3 TRP 21 -4.156 -2.674 -9.285 151 HZ2 TRP 21 HZ2 TRP 21 -1.010 1.140 -8.795 152 HZ3 TRP 21 HZ3 TRP 21 -4.737 -0.765 -7.807 153 HH2 TRP 21 HH2 TRP 21 -3.169 1.144 -7.558 154 H HIS 22 H HIS 22 -2.616 -6.836 -8.443 155 HA HIS 22 HA HIS 22 -3.882 -8.900 -9.800 156 1HB HIS 22 2HB HIS 22 -5.360 -7.868 -7.411 157 2HB HIS 22 1HB HIS 22 -4.881 -9.522 -7.807 158 HD1 HIS 22 HD1 HIS 22 -3.493 -6.288 -6.458 159 HD2 HIS 22 HD2 HIS 22 -2.341 -10.274 -6.835 160 HE1 HIS 22 HE1 HIS 22 -1.308 -6.515 -5.231 161 H LYS 23 H LYS 23 -5.872 -6.300 -8.357 162 HA LYS 23 HA LYS 23 -7.825 -6.717 -10.557 163 1HB LYS 23 2HB LYS 23 -8.032 -6.102 -7.763 164 2HB LYS 23 1HB LYS 23 -8.752 -4.782 -8.686 165 1HG LYS 23 2HG LYS 23 -10.564 -6.051 -9.084 166 2HG LYS 23 1HG LYS 23 -9.550 -7.232 -9.912 167 1HD LYS 23 2HD LYS 23 -8.959 -8.154 -7.611 168 2HD LYS 23 1HD LYS 23 -10.253 -7.140 -6.971 169 1HE LYS 23 2HE LYS 23 -10.788 -8.983 -9.288 170 2HE LYS 23 1HE LYS 23 -10.801 -9.608 -7.639 171 1HZ LYS 23 3HZ LYS 23 -12.389 -7.273 -8.551 172 2HZ LYS 23 2HZ LYS 23 -12.999 -8.853 -8.431 173 3HZ LYS 23 1HZ LYS 23 -12.474 -8.033 -7.038 174 H LYS 24 H LYS 24 -9.042 -4.313 -10.790 175 HA LYS 24 HA LYS 24 -6.863 -2.373 -11.440 176 1HB LYS 24 2HB LYS 24 -8.756 -3.696 -13.244 177 2HB LYS 24 1HB LYS 24 -8.803 -1.937 -13.373 178 1HG LYS 24 2HG LYS 24 -6.763 -1.852 -14.348 179 2HG LYS 24 1HG LYS 24 -6.074 -2.990 -13.189 180 1HD LYS 24 2HD LYS 24 -7.945 -4.363 -14.903 181 2HD LYS 24 1HD LYS 24 -6.759 -3.500 -15.884 182 1HE LYS 24 2HE LYS 24 -5.005 -4.504 -14.249 183 2HE LYS 24 1HE LYS 24 -6.288 -5.630 -13.806 184 1HZ LYS 24 1HZ LYS 24 -5.298 -5.159 -16.566 185 2HZ LYS 24 3HZ LYS 24 -4.894 -6.490 -15.595 186 3HZ LYS 24 2HZ LYS 24 -6.498 -6.273 -16.111 187 HA PRO 25 HA PRO 25 -9.469 0.696 -9.705 188 1HB PRO 25 2HB PRO 25 -9.104 2.805 -11.433 189 2HB PRO 25 1HB PRO 25 -7.881 2.269 -10.268 190 1HG PRO 25 2HG PRO 25 -7.972 1.853 -13.225 191 2HG PRO 25 1HG PRO 25 -6.569 1.963 -12.150 192 1HD PRO 25 2HD PRO 25 -7.640 -0.427 -13.189 193 2HD PRO 25 1HD PRO 25 -6.519 -0.309 -11.816 194 H GLY 26 H GLY 26 -11.653 1.184 -9.773 195 1HA GLY 26 2HA GLY 26 -13.617 2.021 -10.998 196 2HA GLY 26 1HA GLY 26 -12.994 1.217 -12.443 197 H GLU 27 H GLU 27 -12.555 -0.683 -9.677 198 HA GLU 27 HA GLU 27 -15.006 -2.259 -10.359 199 1HB GLU 27 2HB GLU 27 -13.784 -4.260 -9.752 200 2HB GLU 27 1HB GLU 27 -12.796 -3.346 -10.893 201 1HG GLU 27 2HG GLU 27 -11.140 -3.448 -9.363 202 2HG GLU 27 1HG GLU 27 -12.085 -2.311 -8.400 203 H ALA 28 H ALA 28 -15.633 -3.721 -8.387 204 HA ALA 28 HA ALA 28 -16.086 -1.927 -6.127 205 1HB ALA 28 3HB ALA 28 -16.780 -4.858 -6.499 206 2HB ALA 28 2HB ALA 28 -17.368 -3.828 -5.194 207 3HB ALA 28 1HB ALA 28 -17.840 -3.495 -6.861 208 H VAL 29 H VAL 29 -15.214 -2.151 -4.037 209 HA VAL 29 HA VAL 29 -13.020 -4.164 -3.754 210 HB VAL 29 HB VAL 29 -12.922 -1.384 -2.569 211 1HG1 VAL 29 1HG1 VAL 29 -11.149 -3.762 -2.735 212 2HG1 VAL 29 3HG1 VAL 29 -10.367 -2.195 -2.946 213 3HG1 VAL 29 2HG1 VAL 29 -11.275 -2.537 -1.473 214 1HG2 VAL 29 2HG2 VAL 29 -12.648 -2.157 -5.336 215 2HG2 VAL 29 1HG2 VAL 29 -12.489 -0.554 -4.620 216 3HG2 VAL 29 3HG2 VAL 29 -11.087 -1.618 -4.717 217 H LYS 30 H LYS 30 -12.502 -4.598 -1.415 218 HA LYS 30 HA LYS 30 -14.549 -3.855 0.553 219 1HB LYS 30 2HB LYS 30 -14.996 -6.143 -0.984 220 2HB LYS 30 1HB LYS 30 -14.306 -6.762 0.518 221 1HG LYS 30 2HG LYS 30 -15.967 -5.341 1.774 222 2HG LYS 30 1HG LYS 30 -16.726 -4.961 0.228 223 1HD LYS 30 2HD LYS 30 -17.140 -7.349 -0.176 224 2HD LYS 30 1HD LYS 30 -16.350 -7.753 1.349 225 1HE LYS 30 2HE LYS 30 -18.973 -7.524 1.256 226 2HE LYS 30 1HE LYS 30 -18.083 -6.881 2.637 227 1HZ LYS 30 2HZ LYS 30 -18.670 -5.233 0.253 228 2HZ LYS 30 1HZ LYS 30 -19.770 -5.363 1.542 229 3HZ LYS 30 3HZ LYS 30 -18.224 -4.718 1.810 230 H ARG 31 H ARG 31 -13.750 -4.068 2.650 231 HA ARG 31 HA ARG 31 -11.056 -4.037 3.201 232 1HB ARG 31 2HB ARG 31 -12.606 -3.538 4.963 233 2HB ARG 31 1HB ARG 31 -13.310 -5.153 4.882 234 1HG ARG 31 2HG ARG 31 -10.418 -5.224 5.309 235 2HG ARG 31 1HG ARG 31 -11.267 -4.361 6.592 236 1HD ARG 31 2HD ARG 31 -12.576 -6.861 5.729 237 2HD ARG 31 1HD ARG 31 -11.000 -7.084 6.489 238 HE ARG 31 HE ARG 31 -12.515 -5.269 8.082 239 1HH1 ARG 31 2HH1 ARG 31 -11.138 -8.100 8.551 240 2HH1 ARG 31 1HH1 ARG 31 -12.457 -8.909 9.329 241 1HH2 ARG 31 1HH2 ARG 31 -14.797 -6.505 8.450 242 2HH2 ARG 31 2HH2 ARG 31 -14.529 -8.005 9.271 243 H ASP 32 H ASP 32 -9.443 -5.579 3.648 244 HA ASP 32 HA ASP 32 -8.406 -7.691 3.669 245 1HB ASP 32 2HB ASP 32 -10.618 -8.268 4.942 246 2HB ASP 32 1HB ASP 32 -11.096 -9.013 3.417 247 H GLU 33 H GLU 33 -8.600 -6.320 1.272 248 HA GLU 33 HA GLU 33 -8.804 -8.583 -0.643 249 1HB GLU 33 2HB GLU 33 -10.922 -7.075 -0.603 250 2HB GLU 33 1HB GLU 33 -9.895 -5.875 -1.389 251 1HG GLU 33 2HG GLU 33 -10.540 -6.916 -3.308 252 2HG GLU 33 1HG GLU 33 -9.315 -8.104 -2.862 253 H LEU 34 H LEU 34 -6.604 -8.646 -1.063 254 HA LEU 34 HA LEU 34 -4.729 -6.628 -1.104 255 1HB LEU 34 2HB LEU 34 -4.254 -9.034 -1.564 256 2HB LEU 34 1HB LEU 34 -4.920 -8.826 -3.184 257 HG LEU 34 HG LEU 34 -3.218 -7.145 -3.701 258 1HD1 LEU 34 3HD1 LEU 34 -2.738 -7.391 -0.776 259 2HD1 LEU 34 2HD1 LEU 34 -1.308 -7.183 -1.788 260 3HD1 LEU 34 1HD1 LEU 34 -2.597 -5.980 -1.825 261 1HD2 LEU 34 2HD2 LEU 34 -2.130 -9.699 -2.478 262 2HD2 LEU 34 1HD2 LEU 34 -2.601 -9.448 -4.158 263 3HD2 LEU 34 3HD2 LEU 34 -1.186 -8.621 -3.505 264 H ILE 35 H ILE 35 -4.020 -5.073 -2.636 265 HA ILE 35 HA ILE 35 -5.923 -4.590 -4.895 266 HB ILE 35 HB ILE 35 -4.526 -2.605 -3.081 267 1HG1 ILE 35 2HG1 ILE 35 -7.444 -3.152 -3.718 268 2HG1 ILE 35 1HG1 ILE 35 -6.622 -3.552 -2.210 269 1HG2 ILE 35 3HG2 ILE 35 -4.427 -1.886 -5.459 270 2HG2 ILE 35 2HG2 ILE 35 -6.176 -2.077 -5.572 271 3HG2 ILE 35 1HG2 ILE 35 -5.490 -0.855 -4.502 272 1HD1 ILE 35 3HD1 ILE 35 -6.018 -0.905 -2.420 273 2HD1 ILE 35 2HD1 ILE 35 -7.605 -0.937 -3.187 274 3HD1 ILE 35 1HD1 ILE 35 -7.413 -1.522 -1.534 275 H VAL 36 H VAL 36 -2.575 -4.109 -3.752 276 HA VAL 36 HA VAL 36 -1.568 -4.762 -6.419 277 HB VAL 36 HB VAL 36 -2.152 -2.351 -6.645 278 1HG1 VAL 36 2HG1 VAL 36 -0.151 -2.054 -4.384 279 2HG1 VAL 36 1HG1 VAL 36 -0.802 -0.717 -5.330 280 3HG1 VAL 36 3HG1 VAL 36 -1.872 -1.679 -4.311 281 1HG2 VAL 36 1HG2 VAL 36 0.643 -3.393 -6.791 282 2HG2 VAL 36 3HG2 VAL 36 -0.405 -2.808 -8.083 283 3HG2 VAL 36 2HG2 VAL 36 0.412 -1.660 -7.023 284 H ASP 37 H ASP 37 0.523 -5.549 -6.274 285 HA ASP 37 HA ASP 37 1.699 -5.599 -3.542 286 1HB ASP 37 2HB ASP 37 1.890 -7.348 -5.966 287 2HB ASP 37 1HB ASP 37 3.255 -7.315 -4.848 288 H ILE 38 H ILE 38 4.177 -5.498 -3.516 289 HA ILE 38 HA ILE 38 5.221 -3.657 -5.616 290 HB ILE 38 HB ILE 38 5.708 -3.265 -2.651 291 1HG1 ILE 38 2HG1 ILE 38 4.001 -1.433 -4.306 292 2HG1 ILE 38 1HG1 ILE 38 3.281 -2.901 -3.645 293 1HG2 ILE 38 1HG2 ILE 38 6.521 -1.899 -5.185 294 2HG2 ILE 38 3HG2 ILE 38 6.233 -0.900 -3.762 295 3HG2 ILE 38 2HG2 ILE 38 7.451 -2.174 -3.711 296 1HD1 ILE 38 3HD1 ILE 38 4.895 -1.072 -1.882 297 2HD1 ILE 38 2HD1 ILE 38 3.198 -0.725 -2.212 298 3HD1 ILE 38 1HD1 ILE 38 3.652 -2.236 -1.423 299 H GLU 39 H GLU 39 7.635 -3.600 -5.613 300 HA GLU 39 HA GLU 39 8.912 -5.894 -4.224 301 1HB GLU 39 2HB GLU 39 8.091 -6.145 -6.842 302 2HB GLU 39 1HB GLU 39 9.763 -5.611 -7.027 303 1HG GLU 39 2HG GLU 39 10.318 -7.411 -5.247 304 2HG GLU 39 1HG GLU 39 8.723 -8.065 -5.618 305 H THR 40 H THR 40 11.361 -5.771 -4.523 306 HA THR 40 HA THR 40 12.451 -3.176 -5.329 307 HB THR 40 HB THR 40 12.756 -3.973 -2.427 308 HG1 THR 40 HG1 THR 40 11.254 -2.173 -2.134 309 1HG2 THR 40 1HG2 THR 40 13.649 -1.757 -4.189 310 2HG2 THR 40 3HG2 THR 40 13.131 -1.302 -2.567 311 3HG2 THR 40 2HG2 THR 40 14.439 -2.464 -2.780 312 H ASP 41 H ASP 41 14.902 -3.166 -4.796 313 HA ASP 41 HA ASP 41 16.234 -5.254 -5.992 314 1HB ASP 41 2HB ASP 41 17.076 -2.971 -4.874 315 2HB ASP 41 1HB ASP 41 17.582 -4.085 -3.603 316 H LYS 42 H LYS 42 15.340 -5.035 -2.558 317 HA LYS 42 HA LYS 42 15.430 -7.965 -2.367 318 1HB LYS 42 2HB LYS 42 17.463 -6.180 -1.083 319 2HB LYS 42 1HB LYS 42 16.890 -7.581 -0.176 320 1HG LYS 42 2HG LYS 42 17.415 -9.001 -2.194 321 2HG LYS 42 1HG LYS 42 18.172 -7.583 -2.922 322 1HD LYS 42 2HD LYS 42 20.065 -8.178 -1.848 323 2HD LYS 42 1HD LYS 42 19.263 -7.702 -0.351 324 1HE LYS 42 2HE LYS 42 19.334 -10.462 -1.595 325 2HE LYS 42 1HE LYS 42 20.031 -9.965 -0.053 326 1HZ LYS 42 3HZ LYS 42 17.623 -9.293 0.497 327 2HZ LYS 42 2HZ LYS 42 17.200 -10.336 -0.776 328 3HZ LYS 42 1HZ LYS 42 18.050 -10.933 0.569 329 H VAL 43 H VAL 43 13.526 -5.643 -2.036 330 HA VAL 43 HA VAL 43 12.494 -6.484 0.625 331 HB VAL 43 HB VAL 43 12.815 -3.617 -0.309 332 1HG1 VAL 43 1HG1 VAL 43 10.917 -4.864 1.516 333 2HG1 VAL 43 3HG1 VAL 43 11.911 -3.661 2.335 334 3HG1 VAL 43 2HG1 VAL 43 10.966 -3.206 0.918 335 1HG2 VAL 43 2HG2 VAL 43 14.554 -5.293 1.091 336 2HG2 VAL 43 1HG2 VAL 43 14.619 -3.531 1.054 337 3HG2 VAL 43 3HG2 VAL 43 13.759 -4.354 2.355 338 H VAL 44 H VAL 44 10.658 -7.510 -0.088 339 HA VAL 44 HA VAL 44 9.042 -6.237 -2.227 340 HB VAL 44 HB VAL 44 9.411 -8.617 -2.493 341 1HG1 VAL 44 2HG1 VAL 44 8.571 -8.665 0.390 342 2HG1 VAL 44 1HG1 VAL 44 8.301 -10.089 -0.614 343 3HG1 VAL 44 3HG1 VAL 44 9.936 -9.468 -0.385 344 1HG2 VAL 44 2HG2 VAL 44 6.810 -7.435 -2.150 345 2HG2 VAL 44 1HG2 VAL 44 7.294 -8.715 -3.263 346 3HG2 VAL 44 3HG2 VAL 44 6.747 -9.121 -1.636 347 H MET 45 H MET 45 7.014 -5.366 -1.834 348 HA MET 45 HA MET 45 6.014 -5.511 0.981 349 1HB MET 45 2HB MET 45 6.190 -3.103 -0.847 350 2HB MET 45 1HB MET 45 5.200 -3.132 0.613 351 1HG MET 45 2HG MET 45 8.100 -3.917 0.753 352 2HG MET 45 1HG MET 45 7.648 -2.212 0.758 353 1HE MET 45 2HE MET 45 8.298 -5.252 2.480 354 2HE MET 45 1HE MET 45 9.147 -3.925 3.270 355 3HE MET 45 3HE MET 45 7.984 -4.901 4.178 356 H GLU 46 H GLU 46 3.630 -4.166 0.649 357 HA GLU 46 HA GLU 46 2.227 -5.178 -1.717 358 1HB GLU 46 2HB GLU 46 0.685 -6.626 -0.494 359 2HB GLU 46 1HB GLU 46 2.339 -7.180 -0.229 360 1HG GLU 46 2HG GLU 46 2.370 -5.834 1.900 361 2HG GLU 46 1HG GLU 46 0.653 -5.514 1.658 362 H VAL 47 H VAL 47 -0.157 -4.571 -1.564 363 HA VAL 47 HA VAL 47 -0.631 -2.332 0.344 364 HB VAL 47 HB VAL 47 -0.985 -2.218 -2.666 365 1HG1 VAL 47 1HG1 VAL 47 -1.910 -0.371 -0.454 366 2HG1 VAL 47 3HG1 VAL 47 -1.760 0.151 -2.131 367 3HG1 VAL 47 2HG1 VAL 47 -2.892 -1.131 -1.705 368 1HG2 VAL 47 1HG2 VAL 47 1.017 -1.240 -0.743 369 2HG2 VAL 47 3HG2 VAL 47 1.145 -1.445 -2.490 370 3HG2 VAL 47 2HG2 VAL 47 0.405 0.011 -1.825 371 H LEU 48 H LEU 48 -2.308 -3.267 1.469 372 HA LEU 48 HA LEU 48 -4.441 -4.668 -0.046 373 1HB LEU 48 2HB LEU 48 -3.317 -4.893 2.602 374 2HB LEU 48 1HB LEU 48 -5.054 -4.608 2.718 375 HG LEU 48 HG LEU 48 -4.143 -6.575 0.674 376 1HD1 LEU 48 3HD1 LEU 48 -2.784 -7.086 2.721 377 2HD1 LEU 48 2HD1 LEU 48 -4.287 -7.251 3.626 378 3HD1 LEU 48 1HD1 LEU 48 -3.927 -8.363 2.306 379 1HD2 LEU 48 2HD2 LEU 48 -6.440 -6.352 2.642 380 2HD2 LEU 48 1HD2 LEU 48 -6.508 -6.113 0.895 381 3HD2 LEU 48 3HD2 LEU 48 -6.215 -7.723 1.554 382 H ALA 49 H ALA 49 -6.749 -4.162 0.803 383 HA ALA 49 HA ALA 49 -7.136 -1.257 0.558 384 1HB ALA 49 3HB ALA 49 -8.687 -3.631 0.032 385 2HB ALA 49 2HB ALA 49 -9.607 -2.543 1.071 386 3HB ALA 49 1HB ALA 49 -9.000 -1.973 -0.483 387 H GLU 50 H GLU 50 -7.856 0.087 2.204 388 HA GLU 50 HA GLU 50 -7.869 -1.109 4.930 389 1HB GLU 50 2HB GLU 50 -6.879 1.353 3.804 390 2HB GLU 50 1HB GLU 50 -8.051 1.716 5.071 391 1HG GLU 50 2HG GLU 50 -5.733 -0.211 5.395 392 2HG GLU 50 1HG GLU 50 -5.715 1.466 5.939 393 H ALA 51 H ALA 51 -10.102 -0.633 2.661 394 HA ALA 51 HA ALA 51 -12.363 -0.801 4.268 395 1HB ALA 51 2HB ALA 51 -11.219 1.815 4.442 396 2HB ALA 51 1HB ALA 51 -12.748 1.943 3.571 397 3HB ALA 51 3HB ALA 51 -12.707 1.226 5.182 398 H ASP 52 H ASP 52 -14.208 -0.986 2.973 399 HA ASP 52 HA ASP 52 -13.894 -1.373 0.197 400 1HB ASP 52 2HB ASP 52 -15.815 -2.382 0.955 401 2HB ASP 52 1HB ASP 52 -16.224 -1.057 2.041 402 H GLY 53 H GLY 53 -15.191 -0.073 -1.486 403 1HA GLY 53 2HA GLY 53 -16.023 2.499 -1.491 404 2HA GLY 53 1HA GLY 53 -14.281 2.729 -1.304 405 H VAL 54 H VAL 54 -13.957 3.651 -3.365 406 HA VAL 54 HA VAL 54 -14.182 1.705 -5.613 407 HB VAL 54 HB VAL 54 -15.067 4.600 -5.599 408 1HG1 VAL 54 2HG1 VAL 54 -13.801 3.101 -7.711 409 2HG1 VAL 54 1HG1 VAL 54 -15.482 3.419 -8.142 410 3HG1 VAL 54 3HG1 VAL 54 -14.404 4.757 -7.745 411 1HG2 VAL 54 1HG2 VAL 54 -16.707 2.856 -4.906 412 2HG2 VAL 54 3HG2 VAL 54 -17.171 3.641 -6.416 413 3HG2 VAL 54 2HG2 VAL 54 -16.449 2.032 -6.444 414 H ILE 55 H ILE 55 -12.219 1.460 -6.554 415 HA ILE 55 HA ILE 55 -9.919 2.952 -5.775 416 HB ILE 55 HB ILE 55 -10.458 1.184 -8.168 417 1HG1 ILE 55 2HG1 ILE 55 -9.156 0.871 -5.460 418 2HG1 ILE 55 1HG1 ILE 55 -10.444 -0.097 -6.174 419 1HG2 ILE 55 3HG2 ILE 55 -8.685 2.854 -8.684 420 2HG2 ILE 55 2HG2 ILE 55 -7.817 2.356 -7.231 421 3HG2 ILE 55 1HG2 ILE 55 -8.035 1.220 -8.562 422 1HD1 ILE 55 3HD1 ILE 55 -8.568 -0.555 -8.017 423 2HD1 ILE 55 2HD1 ILE 55 -7.501 -0.202 -6.658 424 3HD1 ILE 55 1HD1 ILE 55 -8.668 -1.519 -6.542 425 H ALA 56 H ALA 56 -8.623 4.412 -7.144 426 HA ALA 56 HA ALA 56 -10.381 6.238 -8.687 427 1HB ALA 56 2HB ALA 56 -7.624 6.509 -7.482 428 2HB ALA 56 1HB ALA 56 -8.259 7.698 -8.618 429 3HB ALA 56 3HB ALA 56 -9.082 7.416 -7.084 430 H GLU 57 H GLU 57 -6.968 5.235 -9.105 431 HA GLU 57 HA GLU 57 -7.340 3.963 -11.629 432 1HB GLU 57 2HB GLU 57 -7.575 6.780 -11.764 433 2HB GLU 57 1HB GLU 57 -5.989 6.386 -12.427 434 1HG GLU 57 2HG GLU 57 -7.126 5.949 -14.344 435 2HG GLU 57 1HG GLU 57 -7.557 4.434 -13.551 436 H ILE 58 H ILE 58 -5.295 3.301 -12.539 437 HA ILE 58 HA ILE 58 -3.098 3.407 -10.566 438 HB ILE 58 HB ILE 58 -3.257 1.906 -13.198 439 1HG1 ILE 58 2HG1 ILE 58 -3.626 0.667 -10.482 440 2HG1 ILE 58 1HG1 ILE 58 -5.000 1.436 -11.281 441 1HG2 ILE 58 2HG2 ILE 58 -1.444 1.686 -10.779 442 2HG2 ILE 58 1HG2 ILE 58 -1.498 0.499 -12.082 443 3HG2 ILE 58 3HG2 ILE 58 -0.975 2.150 -12.414 444 1HD1 ILE 58 3HD1 ILE 58 -3.264 -0.663 -12.606 445 2HD1 ILE 58 2HD1 ILE 58 -4.763 -1.038 -11.756 446 3HD1 ILE 58 1HD1 ILE 58 -4.796 -0.017 -13.193 447 H VAL 59 H VAL 59 -1.117 4.405 -10.961 448 HA VAL 59 HA VAL 59 -1.088 6.341 -13.195 449 HB VAL 59 HB VAL 59 0.879 5.933 -10.921 450 1HG1 VAL 59 2HG1 VAL 59 0.798 7.681 -13.292 451 2HG1 VAL 59 1HG1 VAL 59 1.072 8.538 -11.775 452 3HG1 VAL 59 3HG1 VAL 59 2.162 7.241 -12.264 453 1HG2 VAL 59 3HG2 VAL 59 -1.576 6.649 -10.425 454 2HG2 VAL 59 2HG2 VAL 59 -0.272 7.624 -9.748 455 3HG2 VAL 59 1HG2 VAL 59 -1.123 8.172 -11.192 456 H LYS 60 H LYS 60 1.425 4.194 -11.810 457 HA LYS 60 HA LYS 60 2.594 3.930 -14.519 458 1HB LYS 60 2HB LYS 60 3.707 4.112 -11.977 459 2HB LYS 60 1HB LYS 60 3.879 2.404 -12.382 460 1HG LYS 60 2HG LYS 60 5.408 2.821 -14.008 461 2HG LYS 60 1HG LYS 60 4.528 4.231 -14.599 462 1HD LYS 60 2HD LYS 60 5.570 4.789 -11.972 463 2HD LYS 60 1HD LYS 60 6.874 4.209 -13.010 464 1HE LYS 60 2HE LYS 60 6.961 6.328 -13.804 465 2HE LYS 60 1HE LYS 60 5.485 5.920 -14.679 466 1HZ LYS 60 2HZ LYS 60 4.524 6.521 -12.258 467 2HZ LYS 60 1HZ LYS 60 5.848 7.581 -12.339 468 3HZ LYS 60 3HZ LYS 60 4.645 7.635 -13.533 469 H ASN 61 H ASN 61 3.632 1.454 -14.608 470 HA ASN 61 HA ASN 61 1.223 -0.306 -14.418 471 1HB ASN 61 2HB ASN 61 3.612 -0.396 -16.282 472 2HB ASN 61 1HB ASN 61 2.380 -1.656 -16.203 473 1HD2 ASN 61 1HD2 ASN 61 3.160 1.372 -17.630 474 2HD2 ASN 61 2HD2 ASN 61 1.627 1.708 -18.299 475 H GLU 62 H GLU 62 1.600 -2.540 -13.771 476 HA GLU 62 HA GLU 62 3.466 -2.775 -11.582 477 1HB GLU 62 2HB GLU 62 2.759 -5.247 -11.714 478 2HB GLU 62 1HB GLU 62 1.481 -4.071 -11.403 479 1HG GLU 62 2HG GLU 62 0.404 -4.695 -13.274 480 2HG GLU 62 1HG GLU 62 1.838 -4.336 -14.243 481 H GLY 63 H GLY 63 5.309 -4.210 -11.466 482 1HA GLY 63 2HA GLY 63 7.158 -5.401 -12.332 483 2HA GLY 63 1HA GLY 63 6.318 -5.491 -13.886 484 H ASP 64 H ASP 64 6.321 -2.317 -12.779 485 HA ASP 64 HA ASP 64 8.602 -1.685 -14.590 486 1HB ASP 64 2HB ASP 64 6.855 -0.479 -15.470 487 2HB ASP 64 1HB ASP 64 6.027 -0.323 -13.921 488 H THR 65 H THR 65 9.762 0.409 -13.908 489 HA THR 65 HA THR 65 10.475 0.124 -11.031 490 HB THR 65 HB THR 65 11.901 1.478 -13.340 491 HG1 THR 65 HG1 THR 65 13.233 -0.243 -13.216 492 1HG2 THR 65 3HG2 THR 65 12.175 2.577 -11.057 493 2HG2 THR 65 2HG2 THR 65 12.927 1.073 -10.525 494 3HG2 THR 65 1HG2 THR 65 13.664 2.018 -11.819 495 H VAL 66 H VAL 66 9.880 1.684 -9.599 496 HA VAL 66 HA VAL 66 8.987 4.315 -10.713 497 HB VAL 66 HB VAL 66 7.475 4.370 -8.648 498 1HG1 VAL 66 3HG1 VAL 66 7.030 3.489 -11.179 499 2HG1 VAL 66 2HG1 VAL 66 6.592 2.047 -10.265 500 3HG1 VAL 66 1HG1 VAL 66 5.771 3.574 -9.947 501 1HG2 VAL 66 3HG2 VAL 66 8.682 2.526 -7.466 502 2HG2 VAL 66 2HG2 VAL 66 6.953 2.216 -7.620 503 3HG2 VAL 66 1HG2 VAL 66 8.094 1.398 -8.688 504 H LEU 67 H LEU 67 8.752 5.757 -8.403 505 HA LEU 67 HA LEU 67 11.450 5.541 -7.130 506 1HB LEU 67 2HB LEU 67 10.476 7.623 -8.804 507 2HB LEU 67 1HB LEU 67 10.534 8.264 -7.161 508 HG LEU 67 HG LEU 67 12.862 7.617 -6.930 509 1HD1 LEU 67 3HD1 LEU 67 12.250 6.115 -9.436 510 2HD1 LEU 67 2HD1 LEU 67 13.878 6.768 -9.259 511 3HD1 LEU 67 1HD1 LEU 67 13.244 5.642 -8.058 512 1HD2 LEU 67 2HD2 LEU 67 12.319 8.970 -9.592 513 2HD2 LEU 67 1HD2 LEU 67 12.447 9.771 -8.026 514 3HD2 LEU 67 3HD2 LEU 67 13.864 9.003 -8.742 515 H SER 68 H SER 68 11.511 6.751 -4.994 516 HA SER 68 HA SER 68 9.404 5.863 -3.285 517 1HB SER 68 2HB SER 68 11.432 6.226 -2.172 518 2HB SER 68 1HB SER 68 11.708 7.772 -2.972 519 HG SER 68 HG SER 68 9.449 7.457 -1.343 520 H GLY 69 H GLY 69 7.563 6.896 -2.541 521 1HA GLY 69 2HA GLY 69 5.955 8.605 -2.289 522 2HA GLY 69 1HA GLY 69 7.148 9.756 -2.893 523 H GLU 70 H GLU 70 6.729 7.001 -4.876 524 HA GLU 70 HA GLU 70 5.609 8.655 -7.009 525 1HB GLU 70 2HB GLU 70 7.298 6.866 -7.436 526 2HB GLU 70 1HB GLU 70 6.103 5.662 -6.953 527 1HG GLU 70 2HG GLU 70 6.235 5.999 -9.439 528 2HG GLU 70 1HG GLU 70 4.632 6.309 -8.770 529 H LEU 71 H LEU 71 3.455 9.048 -7.122 530 HA LEU 71 HA LEU 71 1.501 7.576 -5.612 531 1HB LEU 71 2HB LEU 71 1.290 9.971 -6.452 532 2HB LEU 71 1HB LEU 71 0.954 9.294 -8.046 533 HG LEU 71 HG LEU 71 -0.835 7.865 -6.775 534 1HD1 LEU 71 3HD1 LEU 71 -0.347 10.183 -4.882 535 2HD1 LEU 71 2HD1 LEU 71 -1.788 9.167 -4.844 536 3HD1 LEU 71 1HD1 LEU 71 -0.205 8.465 -4.512 537 1HD2 LEU 71 2HD2 LEU 71 -0.850 10.432 -8.055 538 2HD2 LEU 71 1HD2 LEU 71 -2.142 9.233 -7.999 539 3HD2 LEU 71 3HD2 LEU 71 -2.024 10.460 -6.738 540 H LEU 72 H LEU 72 0.879 5.527 -6.079 541 HA LEU 72 HA LEU 72 1.053 4.583 -8.894 542 1HB LEU 72 2HB LEU 72 0.381 2.896 -6.479 543 2HB LEU 72 1HB LEU 72 1.050 2.373 -8.025 544 HG LEU 72 HG LEU 72 2.452 4.075 -5.944 545 1HD1 LEU 72 2HD1 LEU 72 2.203 1.262 -6.281 546 2HD1 LEU 72 1HD1 LEU 72 3.845 1.697 -6.757 547 3HD1 LEU 72 3HD1 LEU 72 3.249 2.125 -5.154 548 1HD2 LEU 72 1HD2 LEU 72 3.375 3.101 -8.669 549 2HD2 LEU 72 3HD2 LEU 72 3.046 4.777 -8.227 550 3HD2 LEU 72 2HD2 LEU 72 4.395 3.918 -7.485 551 H GLY 73 H GLY 73 -1.224 5.743 -6.651 552 1HA GLY 73 2HA GLY 73 -3.429 5.761 -8.325 553 2HA GLY 73 1HA GLY 73 -3.501 4.170 -7.557 554 H LYS 74 H LYS 74 -5.565 5.878 -7.035 555 HA LYS 74 HA LYS 74 -5.035 6.640 -4.196 556 1HB LYS 74 2HB LYS 74 -6.476 8.227 -6.328 557 2HB LYS 74 1HB LYS 74 -6.739 8.519 -4.608 558 1HG LYS 74 2HG LYS 74 -4.481 9.157 -4.257 559 2HG LYS 74 1HG LYS 74 -3.964 8.470 -5.797 560 1HD LYS 74 2HD LYS 74 -5.783 10.872 -5.449 561 2HD LYS 74 1HD LYS 74 -4.094 10.921 -5.954 562 1HE LYS 74 2HE LYS 74 -4.928 9.228 -7.807 563 2HE LYS 74 1HE LYS 74 -6.496 9.960 -7.467 564 1HZ LYS 74 3HZ LYS 74 -4.180 11.712 -7.871 565 2HZ LYS 74 2HZ LYS 74 -4.898 10.992 -9.232 566 3HZ LYS 74 1HZ LYS 74 -5.817 11.993 -8.212 567 H LEU 75 H LEU 75 -6.647 6.007 -2.773 568 HA LEU 75 HA LEU 75 -8.838 4.374 -3.947 569 1HB LEU 75 2HB LEU 75 -7.286 3.476 -2.122 570 2HB LEU 75 1HB LEU 75 -8.092 4.598 -1.024 571 HG LEU 75 HG LEU 75 -10.295 3.546 -1.895 572 1HD1 LEU 75 3HD1 LEU 75 -8.906 2.338 -3.741 573 2HD1 LEU 75 2HD1 LEU 75 -8.510 1.186 -2.465 574 3HD1 LEU 75 1HD1 LEU 75 -10.191 1.439 -2.935 575 1HD2 LEU 75 3HD2 LEU 75 -8.794 3.100 0.312 576 2HD2 LEU 75 2HD2 LEU 75 -10.308 2.250 0.000 577 3HD2 LEU 75 1HD2 LEU 75 -8.768 1.482 -0.391 578 H THR 76 H THR 76 -10.975 4.966 -3.718 579 HA THR 76 HA THR 76 -11.483 7.553 -2.309 580 HB THR 76 HB THR 76 -13.240 6.259 -4.408 581 HG1 THR 76 HG1 THR 76 -12.184 7.539 -5.887 582 1HG2 THR 76 2HG2 THR 76 -13.106 8.903 -3.000 583 2HG2 THR 76 1HG2 THR 76 -13.750 8.834 -4.640 584 3HG2 THR 76 3HG2 THR 76 -14.510 7.896 -3.355 585 H GLU 77 H GLU 77 -13.863 7.661 -1.492 586 HA GLU 77 HA GLU 77 -14.260 5.352 0.274 587 1HB GLU 77 2HB GLU 77 -15.545 8.062 -0.012 588 2HB GLU 77 1HB GLU 77 -16.295 6.817 0.988 589 1HG GLU 77 2HG GLU 77 -13.457 6.958 1.534 590 2HG GLU 77 1HG GLU 77 -14.196 8.548 1.729 591 H GLY 78 H GLY 78 -16.960 5.094 0.518 592 1HA GLY 78 2HA GLY 78 -18.564 5.032 -1.782 593 2HA GLY 78 1HA GLY 78 -17.657 3.519 -1.794 594 H GLY 79 HN GLY 79 -20.511 3.712 -1.458 595 1HA GLY 79 2HA GLY 79 -20.857 2.992 1.417 596 2HA GLY 79 1HA GLY 79 -22.167 3.458 0.332 No H/Q in entry = 596 Start of MODEL 20 1 1H ALA 1 3H ALA 1 -10.853 6.979 2.128 2 2H ALA 1 2H ALA 1 -12.307 7.701 1.627 3 3H ALA 1 1H ALA 1 -11.422 6.729 0.550 4 HA ALA 1 HA ALA 1 -10.640 8.673 -0.212 5 1HB ALA 1 2HB ALA 1 -12.235 9.657 1.785 6 2HB ALA 1 1HB ALA 1 -10.642 10.194 2.319 7 3HB ALA 1 3HB ALA 1 -11.241 10.658 0.726 8 H ILE 2 H ILE 2 -8.667 7.363 -0.237 9 HA ILE 2 HA ILE 2 -6.585 8.532 1.507 10 HB ILE 2 HB ILE 2 -5.689 6.297 2.097 11 1HG1 ILE 2 2HG1 ILE 2 -7.805 4.559 1.737 12 2HG1 ILE 2 1HG1 ILE 2 -7.820 5.489 0.239 13 1HG2 ILE 2 1HG2 ILE 2 -7.438 7.587 3.495 14 2HG2 ILE 2 3HG2 ILE 2 -8.597 6.397 2.901 15 3HG2 ILE 2 2HG2 ILE 2 -7.213 5.876 3.861 16 1HD1 ILE 2 1HD1 ILE 2 -5.116 4.734 1.068 17 2HD1 ILE 2 3HD1 ILE 2 -6.155 3.338 0.780 18 3HD1 ILE 2 2HD1 ILE 2 -5.907 4.531 -0.494 19 H ASP 3 H ASP 3 -4.984 9.127 0.136 20 HA ASP 3 HA ASP 3 -4.861 8.103 -2.581 21 1HB ASP 3 2HB ASP 3 -4.201 10.451 -1.795 22 2HB ASP 3 1HB ASP 3 -2.717 9.714 -1.180 23 H ILE 4 H ILE 4 -2.748 7.197 -3.456 24 HA ILE 4 HA ILE 4 -1.401 5.461 -1.429 25 HB ILE 4 HB ILE 4 -2.191 4.614 -4.232 26 1HG1 ILE 4 2HG1 ILE 4 -3.382 3.738 -1.584 27 2HG1 ILE 4 1HG1 ILE 4 -4.122 4.948 -2.633 28 1HG2 ILE 4 1HG2 ILE 4 -0.142 3.637 -2.835 29 2HG2 ILE 4 3HG2 ILE 4 -1.429 2.743 -2.026 30 3HG2 ILE 4 2HG2 ILE 4 -1.199 2.576 -3.766 31 1HD1 ILE 4 3HD1 ILE 4 -3.487 2.755 -4.299 32 2HD1 ILE 4 2HD1 ILE 4 -4.219 2.072 -2.848 33 3HD1 ILE 4 1HD1 ILE 4 -5.092 3.280 -3.791 34 H LYS 5 H LYS 5 0.732 5.959 -1.423 35 HA LYS 5 HA LYS 5 2.057 6.509 -4.036 36 1HB LYS 5 2HB LYS 5 3.366 8.332 -2.943 37 2HB LYS 5 1HB LYS 5 1.642 8.695 -3.024 38 1HG LYS 5 2HG LYS 5 1.333 8.038 -0.710 39 2HG LYS 5 1HG LYS 5 3.003 7.476 -0.606 40 1HD LYS 5 2HD LYS 5 3.604 9.544 0.047 41 2HD LYS 5 1HD LYS 5 3.139 10.134 -1.549 42 1HE LYS 5 2HE LYS 5 1.868 11.422 0.010 43 2HE LYS 5 1HE LYS 5 0.745 10.240 -0.663 44 1HZ LYS 5 3HZ LYS 5 2.259 9.616 1.784 45 2HZ LYS 5 2HZ LYS 5 0.854 10.566 1.875 46 3HZ LYS 5 1HZ LYS 5 0.776 8.987 1.253 47 H ALA 6 H ALA 6 4.483 6.296 -3.820 48 HA ALA 6 HA ALA 6 5.121 3.863 -2.381 49 1HB ALA 6 1HB ALA 6 6.148 4.910 -4.597 50 2HB ALA 6 3HB ALA 6 7.261 5.663 -3.454 51 3HB ALA 6 2HB ALA 6 7.134 3.906 -3.533 52 HA PRO 7 HA PRO 7 6.493 5.653 1.391 53 1HB PRO 7 2HB PRO 7 8.112 3.595 2.231 54 2HB PRO 7 1HB PRO 7 6.341 3.532 2.284 55 1HG PRO 7 2HG PRO 7 8.212 2.169 0.403 56 2HG PRO 7 1HG PRO 7 6.584 1.691 0.909 57 1HD PRO 7 2HD PRO 7 7.261 2.923 -1.548 58 2HD PRO 7 1HD PRO 7 5.619 2.741 -0.887 59 H THR 8 H THR 8 8.572 6.266 2.533 60 HA THR 8 HA THR 8 10.503 7.302 0.621 61 HB THR 8 HB THR 8 11.179 7.268 3.514 62 HG1 THR 8 HG1 THR 8 9.173 7.747 3.965 63 1HG2 THR 8 1HG2 THR 8 11.495 8.960 1.135 64 2HG2 THR 8 3HG2 THR 8 11.100 9.864 2.596 65 3HG2 THR 8 2HG2 THR 8 12.523 8.821 2.561 66 H PHE 9 H PHE 9 11.557 5.538 -0.358 67 HA PHE 9 HA PHE 9 12.492 3.192 0.842 68 1HB PHE 9 2HB PHE 9 13.930 4.799 -1.294 69 2HB PHE 9 1HB PHE 9 14.142 3.075 -0.966 70 HD1 PHE 9 HD2 PHE 9 11.325 2.262 -0.443 71 HD2 PHE 9 HD1 PHE 9 12.978 4.834 -3.464 72 HE1 PHE 9 HE2 PHE 9 9.411 1.742 -1.934 73 HE2 PHE 9 HE1 PHE 9 11.064 4.314 -4.954 74 HZ PHE 9 HZ PHE 9 9.280 2.767 -4.189 75 HA PRO 10 HA PRO 10 15.695 4.502 3.549 76 1HB PRO 10 2HB PRO 10 17.082 2.133 3.693 77 2HB PRO 10 1HB PRO 10 15.537 2.414 4.514 78 1HG PRO 10 2HG PRO 10 16.095 0.800 2.070 79 2HG PRO 10 1HG PRO 10 14.791 0.625 3.256 80 1HD PRO 10 2HD PRO 10 14.557 1.812 0.696 81 2HD PRO 10 1HD PRO 10 13.367 1.923 2.013 82 H GLU 11 H GLU 11 18.246 4.288 3.670 83 HA GLU 11 HA GLU 11 19.333 5.422 1.266 84 1HB GLU 11 2HB GLU 11 20.269 5.902 3.498 85 2HB GLU 11 1HB GLU 11 20.769 4.218 3.653 86 1HG GLU 11 2HG GLU 11 22.079 4.563 1.477 87 2HG GLU 11 1HG GLU 11 21.796 6.289 1.705 88 H SER 12 H SER 12 19.940 2.249 2.819 89 HA SER 12 HA SER 12 21.635 1.081 0.994 90 1HB SER 12 2HB SER 12 20.662 -0.032 3.032 91 2HB SER 12 1HB SER 12 19.186 -0.317 2.107 92 HG SER 12 HG SER 12 20.158 -1.892 1.111 93 H ILE 13 H ILE 13 18.086 1.304 0.657 94 HA ILE 13 HA ILE 13 18.313 0.307 -2.126 95 HB ILE 13 HB ILE 13 15.781 1.144 -0.703 96 1HG1 ILE 13 2HG1 ILE 13 16.803 -0.446 0.783 97 2HG1 ILE 13 1HG1 ILE 13 15.596 -1.334 -0.148 98 1HG2 ILE 13 2HG2 ILE 13 16.431 0.103 -3.284 99 2HG2 ILE 13 1HG2 ILE 13 15.548 -1.143 -2.401 100 3HG2 ILE 13 3HG2 ILE 13 14.834 0.454 -2.622 101 1HD1 ILE 13 2HD1 ILE 13 17.735 -1.624 -1.780 102 2HD1 ILE 13 1HD1 ILE 13 18.557 -1.525 -0.222 103 3HD1 ILE 13 3HD1 ILE 13 17.341 -2.772 -0.499 104 H ALA 14 H ALA 14 17.540 1.576 -3.914 105 HA ALA 14 HA ALA 14 17.362 4.505 -3.324 106 1HB ALA 14 2HB ALA 14 19.367 3.275 -4.742 107 2HB ALA 14 1HB ALA 14 18.249 3.731 -6.027 108 3HB ALA 14 3HB ALA 14 18.893 4.962 -4.941 109 H ASP 15 H ASP 15 15.566 1.923 -4.242 110 HA ASP 15 HA ASP 15 13.308 3.324 -5.080 111 1HB ASP 15 2HB ASP 15 13.502 2.680 -7.630 112 2HB ASP 15 1HB ASP 15 14.225 4.179 -7.046 113 H GLY 16 H GLY 16 12.088 1.681 -6.904 114 1HA GLY 16 2HA GLY 16 12.663 -1.127 -6.331 115 2HA GLY 16 1HA GLY 16 11.210 -0.528 -5.527 116 H THR 17 H THR 17 10.028 -2.082 -6.903 117 HA THR 17 HA THR 17 9.258 -0.812 -9.462 118 HB THR 17 HB THR 17 9.637 -3.746 -9.650 119 HG1 THR 17 HG1 THR 17 11.544 -3.158 -8.609 120 1HG2 THR 17 1HG2 THR 17 10.067 -1.326 -11.403 121 2HG2 THR 17 3HG2 THR 17 10.594 -2.938 -11.890 122 3HG2 THR 17 2HG2 THR 17 8.884 -2.620 -11.598 123 H VAL 18 H VAL 18 7.284 -2.075 -10.374 124 HA VAL 18 HA VAL 18 5.464 -2.553 -8.110 125 HB VAL 18 HB VAL 18 4.772 -2.805 -11.042 126 1HG1 VAL 18 2HG1 VAL 18 3.342 -2.587 -8.460 127 2HG1 VAL 18 1HG1 VAL 18 2.691 -1.594 -9.763 128 3HG1 VAL 18 3HG1 VAL 18 2.830 -3.340 -9.971 129 1HG2 VAL 18 1HG2 VAL 18 4.895 -0.276 -9.366 130 2HG2 VAL 18 3HG2 VAL 18 5.965 -0.667 -10.712 131 3HG2 VAL 18 2HG2 VAL 18 4.249 -0.389 -11.003 132 H ALA 19 H ALA 19 3.895 -4.499 -8.407 133 HA ALA 19 HA ALA 19 5.513 -6.879 -9.229 134 1HB ALA 19 1HB ALA 19 4.669 -6.306 -6.687 135 2HB ALA 19 3HB ALA 19 3.344 -7.309 -7.275 136 3HB ALA 19 2HB ALA 19 4.992 -7.934 -7.281 137 H THR 20 H THR 20 2.079 -6.439 -8.338 138 HA THR 20 HA THR 20 1.204 -6.902 -11.091 139 HB THR 20 HB THR 20 0.778 -9.031 -8.973 140 HG1 THR 20 HG1 THR 20 2.044 -10.254 -10.266 141 1HG2 THR 20 1HG2 THR 20 -1.104 -8.330 -10.736 142 2HG2 THR 20 3HG2 THR 20 -0.124 -9.338 -11.799 143 3HG2 THR 20 2HG2 THR 20 -0.806 -10.019 -10.323 144 H TRP 21 H TRP 21 -0.778 -5.941 -11.343 145 HA TRP 21 HA TRP 21 -2.110 -4.886 -8.940 146 1HB TRP 21 2HB TRP 21 -2.163 -4.354 -11.875 147 2HB TRP 21 1HB TRP 21 -3.617 -3.983 -10.953 148 HD1 TRP 21 HD1 TRP 21 -0.101 -2.809 -11.583 149 HE1 TRP 21 HE1 TRP 21 0.334 -0.638 -10.250 150 HE3 TRP 21 HE3 TRP 21 -4.283 -2.700 -8.649 151 HZ2 TRP 21 HZ2 TRP 21 -0.900 0.917 -8.242 152 HZ3 TRP 21 HZ3 TRP 21 -4.628 -0.853 -7.027 153 HH2 TRP 21 HH2 TRP 21 -2.941 0.958 -6.818 154 H HIS 22 H HIS 22 -2.875 -7.006 -8.189 155 HA HIS 22 HA HIS 22 -4.376 -8.910 -9.537 156 1HB HIS 22 2HB HIS 22 -5.568 -7.977 -6.957 157 2HB HIS 22 1HB HIS 22 -5.205 -9.618 -7.498 158 HD1 HIS 22 HD1 HIS 22 -3.544 -6.536 -6.102 159 HD2 HIS 22 HD2 HIS 22 -2.632 -10.540 -6.808 160 HE1 HIS 22 HE1 HIS 22 -1.270 -6.933 -5.102 161 H LYS 23 H LYS 23 -5.831 -6.014 -7.999 162 HA LYS 23 HA LYS 23 -8.180 -6.377 -9.796 163 1HB LYS 23 2HB LYS 23 -7.867 -5.565 -7.061 164 2HB LYS 23 1HB LYS 23 -8.591 -4.236 -7.966 165 1HG LYS 23 2HG LYS 23 -10.326 -5.762 -7.093 166 2HG LYS 23 1HG LYS 23 -10.304 -5.769 -8.857 167 1HD LYS 23 2HD LYS 23 -8.537 -7.755 -8.388 168 2HD LYS 23 1HD LYS 23 -9.542 -7.914 -6.946 169 1HE LYS 23 2HE LYS 23 -10.816 -7.650 -9.661 170 2HE LYS 23 1HE LYS 23 -10.235 -9.217 -9.098 171 1HZ LYS 23 3HZ LYS 23 -11.568 -8.377 -6.954 172 2HZ LYS 23 2HZ LYS 23 -12.484 -7.632 -8.178 173 3HZ LYS 23 1HZ LYS 23 -12.268 -9.318 -8.180 174 H LYS 24 H LYS 24 -9.104 -4.339 -10.729 175 HA LYS 24 HA LYS 24 -6.908 -2.449 -11.482 176 1HB LYS 24 2HB LYS 24 -9.379 -2.702 -13.147 177 2HB LYS 24 1HB LYS 24 -7.719 -2.379 -13.647 178 1HG LYS 24 2HG LYS 24 -7.230 -4.803 -12.872 179 2HG LYS 24 1HG LYS 24 -8.979 -5.021 -12.929 180 1HD LYS 24 2HD LYS 24 -8.920 -4.143 -15.300 181 2HD LYS 24 1HD LYS 24 -7.159 -4.211 -15.211 182 1HE LYS 24 2HE LYS 24 -7.230 -6.610 -14.783 183 2HE LYS 24 1HE LYS 24 -8.993 -6.578 -14.729 184 1HZ LYS 24 1HZ LYS 24 -8.560 -5.451 -17.090 185 2HZ LYS 24 3HZ LYS 24 -7.202 -6.465 -17.014 186 3HZ LYS 24 2HZ LYS 24 -8.762 -7.126 -16.884 187 HA PRO 25 HA PRO 25 -9.315 0.864 -9.909 188 1HB PRO 25 2HB PRO 25 -8.781 2.842 -11.745 189 2HB PRO 25 1HB PRO 25 -7.613 2.288 -10.532 190 1HG PRO 25 2HG PRO 25 -7.689 1.726 -13.462 191 2HG PRO 25 1HG PRO 25 -6.299 1.776 -12.365 192 1HD PRO 25 2HD PRO 25 -7.562 -0.564 -13.313 193 2HD PRO 25 1HD PRO 25 -6.428 -0.478 -11.949 194 H GLY 26 H GLY 26 -11.518 0.362 -10.118 195 1HA GLY 26 2HA GLY 26 -13.371 1.725 -11.457 196 2HA GLY 26 1HA GLY 26 -12.809 0.684 -12.770 197 H GLU 27 H GLU 27 -12.286 -1.325 -10.389 198 HA GLU 27 HA GLU 27 -14.987 -2.542 -10.598 199 1HB GLU 27 2HB GLU 27 -12.348 -3.674 -9.615 200 2HB GLU 27 1HB GLU 27 -13.858 -4.580 -9.722 201 1HG GLU 27 2HG GLU 27 -12.875 -3.132 -12.154 202 2HG GLU 27 1HG GLU 27 -12.111 -4.658 -11.709 203 H ALA 28 H ALA 28 -15.202 -4.029 -8.350 204 HA ALA 28 HA ALA 28 -15.459 -1.945 -6.249 205 1HB ALA 28 1HB ALA 28 -17.441 -3.350 -6.877 206 2HB ALA 28 3HB ALA 28 -16.569 -4.767 -6.290 207 3HB ALA 28 2HB ALA 28 -17.010 -3.477 -5.172 208 H VAL 29 H VAL 29 -14.886 -2.583 -3.991 209 HA VAL 29 HA VAL 29 -12.777 -4.682 -3.848 210 HB VAL 29 HB VAL 29 -12.465 -1.887 -2.714 211 1HG1 VAL 29 3HG1 VAL 29 -11.342 -3.821 -1.524 212 2HG1 VAL 29 2HG1 VAL 29 -10.435 -4.118 -3.008 213 3HG1 VAL 29 1HG1 VAL 29 -10.233 -2.596 -2.141 214 1HG2 VAL 29 2HG2 VAL 29 -12.370 -2.162 -5.278 215 2HG2 VAL 29 1HG2 VAL 29 -10.976 -1.410 -4.503 216 3HG2 VAL 29 3HG2 VAL 29 -10.903 -3.100 -5.000 217 H LYS 30 H LYS 30 -12.464 -5.505 -1.681 218 HA LYS 30 HA LYS 30 -14.615 -4.704 0.239 219 1HB LYS 30 2HB LYS 30 -14.561 -7.098 -1.093 220 2HB LYS 30 1HB LYS 30 -13.681 -7.501 0.381 221 1HG LYS 30 2HG LYS 30 -15.659 -7.668 1.441 222 2HG LYS 30 1HG LYS 30 -15.869 -5.932 1.212 223 1HD LYS 30 2HD LYS 30 -17.287 -6.196 -0.573 224 2HD LYS 30 1HD LYS 30 -16.487 -7.667 -1.124 225 1HE LYS 30 2HE LYS 30 -17.454 -8.783 0.981 226 2HE LYS 30 1HE LYS 30 -18.489 -7.361 1.117 227 1HZ LYS 30 2HZ LYS 30 -19.286 -7.782 -1.132 228 2HZ LYS 30 1HZ LYS 30 -18.314 -9.172 -1.231 229 3HZ LYS 30 3HZ LYS 30 -19.589 -9.109 -0.115 230 H ARG 31 H ARG 31 -13.931 -4.429 2.346 231 HA ARG 31 HA ARG 31 -11.329 -3.858 3.038 232 1HB ARG 31 2HB ARG 31 -13.257 -3.475 4.537 233 2HB ARG 31 1HB ARG 31 -13.361 -5.210 4.839 234 1HG ARG 31 2HG ARG 31 -10.757 -4.824 5.425 235 2HG ARG 31 1HG ARG 31 -11.383 -3.229 5.843 236 1HD ARG 31 2HD ARG 31 -13.006 -5.515 6.798 237 2HD ARG 31 1HD ARG 31 -11.418 -5.350 7.549 238 HE ARG 31 HE ARG 31 -12.140 -3.309 8.542 239 1HH1 ARG 31 1HH2 ARG 31 -14.759 -5.084 7.666 240 2HH1 ARG 31 2HH2 ARG 31 -15.854 -3.758 7.457 241 1HH2 ARG 31 2HH1 ARG 31 -13.377 -1.338 7.646 242 2HH2 ARG 31 1HH1 ARG 31 -15.072 -1.637 7.445 243 H ASP 32 H ASP 32 -9.546 -5.029 3.855 244 HA ASP 32 HA ASP 32 -8.165 -6.901 4.188 245 1HB ASP 32 2HB ASP 32 -10.371 -7.601 5.482 246 2HB ASP 32 1HB ASP 32 -10.535 -8.734 4.139 247 H GLU 33 H GLU 33 -8.770 -5.986 1.540 248 HA GLU 33 HA GLU 33 -8.545 -8.576 0.062 249 1HB GLU 33 2HB GLU 33 -10.705 -7.680 -0.501 250 2HB GLU 33 1HB GLU 33 -10.038 -6.063 -0.733 251 1HG GLU 33 2HG GLU 33 -10.352 -7.040 -2.920 252 2HG GLU 33 1HG GLU 33 -8.618 -7.008 -2.595 253 H LEU 34 H LEU 34 -6.498 -8.701 -0.717 254 HA LEU 34 HA LEU 34 -4.535 -6.773 -0.760 255 1HB LEU 34 2HB LEU 34 -4.201 -9.170 -1.368 256 2HB LEU 34 1HB LEU 34 -4.941 -8.844 -2.936 257 HG LEU 34 HG LEU 34 -3.190 -7.210 -3.454 258 1HD1 LEU 34 2HD1 LEU 34 -2.770 -7.381 -0.600 259 2HD1 LEU 34 1HD1 LEU 34 -1.262 -7.715 -1.451 260 3HD1 LEU 34 3HD1 LEU 34 -2.124 -6.205 -1.744 261 1HD2 LEU 34 3HD2 LEU 34 -2.107 -9.852 -2.423 262 2HD2 LEU 34 2HD2 LEU 34 -2.752 -9.551 -4.036 263 3HD2 LEU 34 1HD2 LEU 34 -1.252 -8.776 -3.528 264 H ILE 35 H ILE 35 -3.626 -5.500 -2.613 265 HA ILE 35 HA ILE 35 -5.711 -4.669 -4.578 266 HB ILE 35 HB ILE 35 -4.043 -2.853 -2.815 267 1HG1 ILE 35 2HG1 ILE 35 -6.149 -3.739 -1.839 268 2HG1 ILE 35 1HG1 ILE 35 -6.246 -2.001 -2.124 269 1HG2 ILE 35 2HG2 ILE 35 -5.450 -2.391 -5.414 270 2HG2 ILE 35 1HG2 ILE 35 -5.530 -1.124 -4.190 271 3HG2 ILE 35 3HG2 ILE 35 -3.966 -1.665 -4.799 272 1HD1 ILE 35 1HD1 ILE 35 -7.083 -3.228 -4.526 273 2HD1 ILE 35 3HD1 ILE 35 -7.888 -4.105 -3.224 274 3HD1 ILE 35 2HD1 ILE 35 -8.088 -2.358 -3.366 275 H VAL 36 H VAL 36 -2.269 -4.357 -3.652 276 HA VAL 36 HA VAL 36 -1.464 -5.072 -6.372 277 HB VAL 36 HB VAL 36 -1.975 -2.647 -6.597 278 1HG1 VAL 36 1HG1 VAL 36 0.178 -2.375 -4.477 279 2HG1 VAL 36 3HG1 VAL 36 -0.523 -1.036 -5.384 280 3HG1 VAL 36 2HG1 VAL 36 -1.528 -1.976 -4.280 281 1HG2 VAL 36 2HG2 VAL 36 -0.089 -3.799 -7.848 282 2HG2 VAL 36 1HG2 VAL 36 0.099 -2.054 -7.671 283 3HG2 VAL 36 3HG2 VAL 36 1.014 -3.150 -6.635 284 H ASP 37 H ASP 37 0.468 -6.129 -6.243 285 HA ASP 37 HA ASP 37 1.859 -6.137 -3.634 286 1HB ASP 37 2HB ASP 37 1.836 -7.881 -6.062 287 2HB ASP 37 1HB ASP 37 3.289 -7.882 -5.062 288 H ILE 38 H ILE 38 4.114 -5.638 -3.442 289 HA ILE 38 HA ILE 38 5.188 -4.007 -5.711 290 HB ILE 38 HB ILE 38 5.694 -3.620 -2.744 291 1HG1 ILE 38 2HG1 ILE 38 4.011 -2.000 -4.685 292 2HG1 ILE 38 1HG1 ILE 38 3.373 -3.047 -3.415 293 1HG2 ILE 38 3HG2 ILE 38 6.856 -2.517 -5.223 294 2HG2 ILE 38 2HG2 ILE 38 6.380 -1.303 -4.036 295 3HG2 ILE 38 1HG2 ILE 38 7.525 -2.569 -3.593 296 1HD1 ILE 38 2HD1 ILE 38 5.309 -1.324 -2.224 297 2HD1 ILE 38 1HD1 ILE 38 4.230 -0.325 -3.197 298 3HD1 ILE 38 3HD1 ILE 38 3.570 -1.367 -1.935 299 H GLU 39 H GLU 39 7.527 -4.095 -5.979 300 HA GLU 39 HA GLU 39 8.792 -6.462 -4.661 301 1HB GLU 39 2HB GLU 39 9.800 -7.118 -6.743 302 2HB GLU 39 1HB GLU 39 8.081 -6.882 -7.062 303 1HG GLU 39 2HG GLU 39 8.484 -4.705 -8.019 304 2HG GLU 39 1HG GLU 39 10.173 -4.739 -7.514 305 H THR 40 H THR 40 11.123 -6.295 -4.441 306 HA THR 40 HA THR 40 12.283 -3.613 -4.990 307 HB THR 40 HB THR 40 12.964 -4.780 -2.350 308 HG1 THR 40 HG1 THR 40 10.428 -3.707 -2.995 309 1HG2 THR 40 2HG2 THR 40 13.502 -2.449 -3.607 310 2HG2 THR 40 1HG2 THR 40 12.048 -1.982 -2.725 311 3HG2 THR 40 3HG2 THR 40 13.449 -2.602 -1.850 312 H ASP 41 H ASP 41 14.750 -3.746 -4.330 313 HA ASP 41 HA ASP 41 16.108 -5.482 -5.976 314 1HB ASP 41 2HB ASP 41 16.877 -3.604 -4.147 315 2HB ASP 41 1HB ASP 41 17.471 -5.081 -3.387 316 H LYS 42 H LYS 42 15.754 -6.078 -2.456 317 HA LYS 42 HA LYS 42 15.525 -8.982 -3.078 318 1HB LYS 42 2HB LYS 42 17.553 -7.642 -1.305 319 2HB LYS 42 1HB LYS 42 17.009 -9.278 -0.940 320 1HG LYS 42 2HG LYS 42 17.494 -9.676 -3.509 321 2HG LYS 42 1HG LYS 42 18.554 -8.281 -3.306 322 1HD LYS 42 2HD LYS 42 19.449 -9.545 -1.217 323 2HD LYS 42 1HD LYS 42 18.698 -10.965 -1.946 324 1HE LYS 42 2HE LYS 42 20.305 -11.128 -3.530 325 2HE LYS 42 1HE LYS 42 20.258 -9.398 -3.866 326 1HZ LYS 42 1HZ LYS 42 21.362 -9.856 -1.309 327 2HZ LYS 42 3HZ LYS 42 22.194 -10.788 -2.455 328 3HZ LYS 42 2HZ LYS 42 22.072 -9.107 -2.659 329 H VAL 43 H VAL 43 13.501 -7.055 -2.319 330 HA VAL 43 HA VAL 43 12.565 -8.393 0.150 331 HB VAL 43 HB VAL 43 12.760 -5.379 -0.144 332 1HG1 VAL 43 1HG1 VAL 43 11.276 -7.183 1.739 333 2HG1 VAL 43 3HG1 VAL 43 11.934 -5.665 2.351 334 3HG1 VAL 43 2HG1 VAL 43 10.769 -5.651 1.028 335 1HG2 VAL 43 1HG2 VAL 43 14.194 -7.444 1.524 336 2HG2 VAL 43 3HG2 VAL 43 14.882 -6.144 0.551 337 3HG2 VAL 43 2HG2 VAL 43 14.067 -5.772 2.070 338 H VAL 44 H VAL 44 10.457 -8.945 -0.136 339 HA VAL 44 HA VAL 44 8.965 -7.617 -2.347 340 HB VAL 44 HB VAL 44 8.068 -10.103 -0.899 341 1HG1 VAL 44 3HG1 VAL 44 6.550 -8.947 -2.504 342 2HG1 VAL 44 2HG1 VAL 44 7.769 -9.147 -3.764 343 3HG1 VAL 44 1HG1 VAL 44 6.997 -10.564 -3.050 344 1HG2 VAL 44 1HG2 VAL 44 10.463 -9.754 -2.542 345 2HG2 VAL 44 3HG2 VAL 44 9.960 -11.144 -1.578 346 3HG2 VAL 44 2HG2 VAL 44 9.356 -10.946 -3.223 347 H MET 45 H MET 45 6.788 -6.892 -1.965 348 HA MET 45 HA MET 45 5.925 -6.760 0.877 349 1HB MET 45 2HB MET 45 6.587 -4.442 -0.911 350 2HB MET 45 1HB MET 45 5.283 -4.273 0.265 351 1HG MET 45 2HG MET 45 7.590 -5.543 1.477 352 2HG MET 45 1HG MET 45 8.036 -3.995 0.758 353 1HE MET 45 1HE MET 45 8.588 -2.675 2.425 354 2HE MET 45 3HE MET 45 7.316 -1.604 1.819 355 3HE MET 45 2HE MET 45 7.516 -1.848 3.552 356 H GLU 46 H GLU 46 3.623 -5.621 0.870 357 HA GLU 46 HA GLU 46 2.122 -6.332 -1.596 358 1HB GLU 46 2HB GLU 46 0.374 -7.427 -0.107 359 2HB GLU 46 1HB GLU 46 1.882 -8.327 -0.279 360 1HG GLU 46 2HG GLU 46 2.379 -8.111 1.917 361 2HG GLU 46 1HG GLU 46 1.963 -6.397 1.922 362 H VAL 47 H VAL 47 0.148 -5.154 -1.809 363 HA VAL 47 HA VAL 47 -0.128 -2.901 0.140 364 HB VAL 47 HB VAL 47 -0.928 -2.929 -2.785 365 1HG1 VAL 47 3HG1 VAL 47 -1.202 -1.031 -0.526 366 2HG1 VAL 47 2HG1 VAL 47 -0.642 -0.327 -2.043 367 3HG1 VAL 47 1HG1 VAL 47 -2.178 -1.192 -1.987 368 1HG2 VAL 47 3HG2 VAL 47 1.506 -1.749 -1.407 369 2HG2 VAL 47 2HG2 VAL 47 1.510 -3.074 -2.570 370 3HG2 VAL 47 1HG2 VAL 47 1.056 -1.450 -3.086 371 H LEU 48 H LEU 48 -1.712 -3.800 1.481 372 HA LEU 48 HA LEU 48 -4.157 -4.905 0.211 373 1HB LEU 48 2HB LEU 48 -3.334 -6.249 2.020 374 2HB LEU 48 1HB LEU 48 -3.158 -4.841 3.068 375 HG LEU 48 HG LEU 48 -5.650 -4.505 2.909 376 1HD1 LEU 48 2HD1 LEU 48 -5.345 -6.518 0.910 377 2HD1 LEU 48 1HD1 LEU 48 -6.334 -7.193 2.203 378 3HD1 LEU 48 3HD1 LEU 48 -6.825 -5.698 1.408 379 1HD2 LEU 48 3HD2 LEU 48 -4.196 -6.140 4.560 380 2HD2 LEU 48 2HD2 LEU 48 -5.911 -5.789 4.773 381 3HD2 LEU 48 1HD2 LEU 48 -5.409 -7.261 3.943 382 H ALA 49 H ALA 49 -6.256 -4.035 0.753 383 HA ALA 49 HA ALA 49 -6.211 -1.121 1.106 384 1HB ALA 49 3HB ALA 49 -7.793 -2.716 -0.385 385 2HB ALA 49 2HB ALA 49 -8.790 -2.610 1.065 386 3HB ALA 49 1HB ALA 49 -8.326 -1.142 0.205 387 H GLU 50 H GLU 50 -7.205 -0.011 2.854 388 HA GLU 50 HA GLU 50 -7.439 -1.649 5.327 389 1HB GLU 50 2HB GLU 50 -6.297 0.891 4.748 390 2HB GLU 50 1HB GLU 50 -7.670 1.170 5.820 391 1HG GLU 50 2HG GLU 50 -6.314 -1.133 6.787 392 2HG GLU 50 1HG GLU 50 -5.088 0.096 6.472 393 H ALA 51 H ALA 51 -9.521 -1.121 3.076 394 HA ALA 51 HA ALA 51 -11.856 -1.286 4.625 395 1HB ALA 51 1HB ALA 51 -10.793 1.383 4.567 396 2HB ALA 51 3HB ALA 51 -12.319 1.357 3.682 397 3HB ALA 51 2HB ALA 51 -12.260 0.803 5.357 398 H ASP 52 H ASP 52 -13.777 -1.290 3.284 399 HA ASP 52 HA ASP 52 -13.278 -2.046 0.559 400 1HB ASP 52 2HB ASP 52 -15.201 -3.048 1.324 401 2HB ASP 52 1HB ASP 52 -15.688 -1.653 2.280 402 H GLY 53 H GLY 53 -14.538 -0.929 -1.275 403 1HA GLY 53 2HA GLY 53 -15.445 1.602 -1.534 404 2HA GLY 53 1HA GLY 53 -13.723 1.911 -1.280 405 H VAL 54 H VAL 54 -13.758 2.806 -3.499 406 HA VAL 54 HA VAL 54 -13.408 0.627 -5.505 407 HB VAL 54 HB VAL 54 -15.001 3.181 -5.831 408 1HG1 VAL 54 1HG1 VAL 54 -13.692 1.388 -7.858 409 2HG1 VAL 54 3HG1 VAL 54 -15.221 2.176 -8.247 410 3HG1 VAL 54 2HG1 VAL 54 -13.806 3.149 -7.841 411 1HG2 VAL 54 3HG2 VAL 54 -15.574 0.221 -5.985 412 2HG2 VAL 54 2HG2 VAL 54 -16.405 1.452 -5.035 413 3HG2 VAL 54 1HG2 VAL 54 -16.622 1.392 -6.784 414 H ILE 55 H ILE 55 -11.430 0.796 -6.436 415 HA ILE 55 HA ILE 55 -9.586 2.867 -5.824 416 HB ILE 55 HB ILE 55 -9.662 0.843 -8.066 417 1HG1 ILE 55 2HG1 ILE 55 -8.316 1.086 -5.372 418 2HG1 ILE 55 1HG1 ILE 55 -9.326 -0.226 -5.977 419 1HG2 ILE 55 2HG2 ILE 55 -7.483 2.817 -7.307 420 2HG2 ILE 55 1HG2 ILE 55 -7.251 1.446 -8.392 421 3HG2 ILE 55 3HG2 ILE 55 -8.352 2.750 -8.842 422 1HD1 ILE 55 1HD1 ILE 55 -7.515 -0.605 -7.746 423 2HD1 ILE 55 3HD1 ILE 55 -6.498 0.464 -6.780 424 3HD1 ILE 55 2HD1 ILE 55 -7.094 -1.046 -6.091 425 H ALA 56 H ALA 56 -8.587 4.366 -7.487 426 HA ALA 56 HA ALA 56 -10.768 5.612 -9.097 427 1HB ALA 56 2HB ALA 56 -9.589 6.982 -7.329 428 2HB ALA 56 1HB ALA 56 -8.115 6.832 -8.285 429 3HB ALA 56 3HB ALA 56 -9.515 7.672 -8.950 430 H GLU 57 H GLU 57 -7.197 5.451 -9.366 431 HA GLU 57 HA GLU 57 -7.282 4.075 -11.908 432 1HB GLU 57 2HB GLU 57 -7.619 6.941 -11.937 433 2HB GLU 57 1HB GLU 57 -6.088 6.515 -12.703 434 1HG GLU 57 2HG GLU 57 -8.531 4.921 -13.390 435 2HG GLU 57 1HG GLU 57 -8.332 6.519 -14.110 436 H ILE 58 H ILE 58 -5.227 3.311 -12.412 437 HA ILE 58 HA ILE 58 -3.105 3.959 -10.448 438 HB ILE 58 HB ILE 58 -3.120 1.851 -12.627 439 1HG1 ILE 58 2HG1 ILE 58 -4.948 1.347 -11.152 440 2HG1 ILE 58 1HG1 ILE 58 -3.605 0.315 -10.648 441 1HG2 ILE 58 3HG2 ILE 58 -0.899 2.560 -11.679 442 2HG2 ILE 58 2HG2 ILE 58 -1.476 2.064 -10.089 443 3HG2 ILE 58 1HG2 ILE 58 -1.293 0.869 -11.373 444 1HD1 ILE 58 3HD1 ILE 58 -3.005 2.048 -8.929 445 2HD1 ILE 58 2HD1 ILE 58 -4.475 2.920 -9.364 446 3HD1 ILE 58 1HD1 ILE 58 -4.582 1.306 -8.662 447 H VAL 59 H VAL 59 -1.194 4.976 -11.027 448 HA VAL 59 HA VAL 59 -1.155 6.247 -13.695 449 HB VAL 59 HB VAL 59 0.824 6.581 -11.425 450 1HG1 VAL 59 3HG1 VAL 59 0.163 8.092 -13.953 451 2HG1 VAL 59 2HG1 VAL 59 0.975 8.881 -12.601 452 3HG1 VAL 59 1HG1 VAL 59 1.733 7.506 -13.402 453 1HG2 VAL 59 2HG2 VAL 59 -1.732 8.107 -12.025 454 2HG2 VAL 59 1HG2 VAL 59 -1.436 7.090 -10.614 455 3HG2 VAL 59 3HG2 VAL 59 -0.528 8.586 -10.829 456 H LYS 60 H LYS 60 0.789 3.988 -11.760 457 HA LYS 60 HA LYS 60 2.541 3.551 -14.114 458 1HB LYS 60 2HB LYS 60 3.584 2.003 -12.115 459 2HB LYS 60 1HB LYS 60 4.086 3.652 -12.454 460 1HG LYS 60 2HG LYS 60 3.614 3.480 -10.088 461 2HG LYS 60 1HG LYS 60 2.336 4.441 -10.830 462 1HD LYS 60 2HD LYS 60 1.195 2.898 -9.430 463 2HD LYS 60 1HD LYS 60 1.038 2.231 -11.055 464 1HE LYS 60 2HE LYS 60 2.121 0.359 -10.437 465 2HE LYS 60 1HE LYS 60 3.498 1.306 -9.873 466 1HZ LYS 60 1HZ LYS 60 1.015 0.882 -8.303 467 2HZ LYS 60 3HZ LYS 60 2.422 -0.047 -8.122 468 3HZ LYS 60 2HZ LYS 60 2.452 1.615 -7.769 469 H ASN 61 H ASN 61 2.998 1.298 -14.726 470 HA ASN 61 HA ASN 61 0.704 -0.512 -14.077 471 1HB ASN 61 2HB ASN 61 2.116 0.116 -16.635 472 2HB ASN 61 1HB ASN 61 1.535 -1.534 -16.399 473 1HD2 ASN 61 2HD2 ASN 61 -1.383 1.363 -16.166 474 2HD2 ASN 61 1HD2 ASN 61 0.105 1.614 -15.369 475 H GLU 62 H GLU 62 1.284 -2.867 -14.216 476 HA GLU 62 HA GLU 62 3.479 -3.525 -12.567 477 1HB GLU 62 2HB GLU 62 2.457 -5.455 -14.639 478 2HB GLU 62 1HB GLU 62 2.946 -5.774 -12.975 479 1HG GLU 62 2HG GLU 62 0.763 -5.658 -12.424 480 2HG GLU 62 1HG GLU 62 0.862 -3.925 -12.739 481 H GLY 63 H GLY 63 5.631 -3.879 -12.977 482 1HA GLY 63 2HA GLY 63 7.470 -4.591 -14.402 483 2HA GLY 63 1HA GLY 63 6.499 -4.152 -15.813 484 H ASP 64 H ASP 64 5.882 -1.666 -13.869 485 HA ASP 64 HA ASP 64 8.005 -0.022 -15.109 486 1HB ASP 64 2HB ASP 64 6.034 1.117 -15.423 487 2HB ASP 64 1HB ASP 64 5.303 0.496 -13.944 488 H THR 65 H THR 65 8.878 1.782 -13.644 489 HA THR 65 HA THR 65 9.802 0.506 -11.115 490 HB THR 65 HB THR 65 11.445 1.385 -12.864 491 HG1 THR 65 HG1 THR 65 12.031 1.044 -10.694 492 1HG2 THR 65 2HG2 THR 65 9.887 3.551 -12.996 493 2HG2 THR 65 1HG2 THR 65 10.982 4.106 -11.729 494 3HG2 THR 65 3HG2 THR 65 11.621 3.640 -13.305 495 H VAL 66 H VAL 66 10.056 2.006 -9.213 496 HA VAL 66 HA VAL 66 7.998 4.174 -9.226 497 HB VAL 66 HB VAL 66 7.282 3.478 -6.987 498 1HG1 VAL 66 3HG1 VAL 66 6.381 2.402 -9.169 499 2HG1 VAL 66 2HG1 VAL 66 7.300 0.980 -8.676 500 3HG1 VAL 66 1HG1 VAL 66 6.011 1.600 -7.643 501 1HG2 VAL 66 1HG2 VAL 66 9.287 1.232 -7.375 502 2HG2 VAL 66 3HG2 VAL 66 9.421 2.549 -6.211 503 3HG2 VAL 66 2HG2 VAL 66 8.142 1.348 -6.039 504 H LEU 67 H LEU 67 8.757 6.068 -8.381 505 HA LEU 67 HA LEU 67 11.446 6.005 -7.102 506 1HB LEU 67 2HB LEU 67 10.017 7.877 -8.859 507 2HB LEU 67 1HB LEU 67 10.812 8.664 -7.495 508 HG LEU 67 HG LEU 67 12.811 7.045 -8.190 509 1HD1 LEU 67 1HD1 LEU 67 11.014 7.218 -10.589 510 2HD1 LEU 67 3HD1 LEU 67 12.761 7.188 -10.824 511 3HD1 LEU 67 2HD1 LEU 67 11.959 5.851 -10.001 512 1HD2 LEU 67 2HD2 LEU 67 12.268 9.736 -8.419 513 2HD2 LEU 67 1HD2 LEU 67 13.813 8.987 -8.822 514 3HD2 LEU 67 3HD2 LEU 67 12.622 9.291 -10.087 515 H SER 68 H SER 68 11.773 7.511 -5.242 516 HA SER 68 HA SER 68 9.870 7.076 -3.172 517 1HB SER 68 2HB SER 68 12.282 7.634 -2.807 518 2HB SER 68 1HB SER 68 11.943 9.285 -3.321 519 HG SER 68 HG SER 68 11.249 7.939 -0.986 520 H GLY 69 H GLY 69 7.822 7.886 -3.267 521 1HA GLY 69 2HA GLY 69 6.348 9.783 -2.903 522 2HA GLY 69 1HA GLY 69 7.525 10.812 -3.722 523 H GLU 70 H GLU 70 6.842 7.744 -5.162 524 HA GLU 70 HA GLU 70 5.710 9.098 -7.509 525 1HB GLU 70 2HB GLU 70 7.352 7.201 -7.687 526 2HB GLU 70 1HB GLU 70 6.112 6.130 -7.034 527 1HG GLU 70 2HG GLU 70 5.433 5.844 -9.171 528 2HG GLU 70 1HG GLU 70 4.784 7.481 -9.065 529 H LEU 71 H LEU 71 3.559 9.138 -8.042 530 HA LEU 71 HA LEU 71 1.640 8.122 -6.065 531 1HB LEU 71 2HB LEU 71 1.393 10.349 -7.228 532 2HB LEU 71 1HB LEU 71 1.076 9.466 -8.722 533 HG LEU 71 HG LEU 71 -0.716 8.209 -7.257 534 1HD1 LEU 71 1HD1 LEU 71 -0.239 10.799 -5.759 535 2HD1 LEU 71 3HD1 LEU 71 -1.717 9.849 -5.603 536 3HD1 LEU 71 2HD1 LEU 71 -0.169 9.160 -5.113 537 1HD2 LEU 71 1HD2 LEU 71 -1.198 9.647 -9.214 538 2HD2 LEU 71 3HD2 LEU 71 -2.385 9.895 -7.934 539 3HD2 LEU 71 2HD2 LEU 71 -1.100 11.075 -8.185 540 H LEU 72 H LEU 72 0.679 6.155 -6.215 541 HA LEU 72 HA LEU 72 0.963 4.654 -8.770 542 1HB LEU 72 2HB LEU 72 -0.113 3.430 -6.252 543 2HB LEU 72 1HB LEU 72 0.863 2.693 -7.523 544 HG LEU 72 HG LEU 72 1.861 4.780 -5.562 545 1HD1 LEU 72 2HD1 LEU 72 1.756 1.816 -5.516 546 2HD1 LEU 72 1HD1 LEU 72 3.308 2.532 -5.078 547 3HD1 LEU 72 3HD1 LEU 72 1.853 2.960 -4.178 548 1HD2 LEU 72 1HD2 LEU 72 2.860 3.759 -8.078 549 2HD2 LEU 72 3HD2 LEU 72 3.540 5.019 -7.049 550 3HD2 LEU 72 2HD2 LEU 72 3.962 3.329 -6.770 551 H GLY 73 H GLY 73 -1.386 6.192 -6.733 552 1HA GLY 73 2HA GLY 73 -3.459 6.384 -8.513 553 2HA GLY 73 1HA GLY 73 -3.672 4.753 -7.866 554 H LYS 74 H LYS 74 -5.713 6.420 -7.347 555 HA LYS 74 HA LYS 74 -5.313 7.108 -4.466 556 1HB LYS 74 2HB LYS 74 -6.780 9.040 -4.736 557 2HB LYS 74 1HB LYS 74 -5.446 9.163 -5.884 558 1HG LYS 74 2HG LYS 74 -6.890 8.195 -7.650 559 2HG LYS 74 1HG LYS 74 -8.229 8.130 -6.502 560 1HD LYS 74 2HD LYS 74 -7.680 10.688 -6.174 561 2HD LYS 74 1HD LYS 74 -6.933 10.523 -7.764 562 1HE LYS 74 2HE LYS 74 -9.020 9.682 -8.704 563 2HE LYS 74 1HE LYS 74 -9.779 9.703 -7.112 564 1HZ LYS 74 1HZ LYS 74 -9.181 12.161 -7.106 565 2HZ LYS 74 3HZ LYS 74 -8.929 11.994 -8.774 566 3HZ LYS 74 2HZ LYS 74 -10.461 11.674 -8.111 567 H LEU 75 H LEU 75 -7.211 6.792 -3.143 568 HA LEU 75 HA LEU 75 -9.046 4.754 -4.279 569 1HB LEU 75 2HB LEU 75 -7.805 4.412 -2.074 570 2HB LEU 75 1HB LEU 75 -8.858 5.654 -1.395 571 HG LEU 75 HG LEU 75 -10.839 4.320 -2.096 572 1HD1 LEU 75 2HD1 LEU 75 -8.666 2.657 -3.268 573 2HD1 LEU 75 1HD1 LEU 75 -10.015 1.789 -2.533 574 3HD1 LEU 75 3HD1 LEU 75 -10.311 2.930 -3.844 575 1HD2 LEU 75 2HD2 LEU 75 -9.409 4.032 0.132 576 2HD2 LEU 75 1HD2 LEU 75 -10.766 2.962 -0.217 577 3HD2 LEU 75 3HD2 LEU 75 -9.117 2.428 -0.539 578 H THR 76 H THR 76 -11.356 4.984 -4.026 579 HA THR 76 HA THR 76 -12.212 7.826 -4.053 580 HB THR 76 HB THR 76 -13.923 5.403 -4.648 581 HG1 THR 76 HG1 THR 76 -13.312 5.794 -6.830 582 1HG2 THR 76 2HG2 THR 76 -14.074 8.363 -5.115 583 2HG2 THR 76 1HG2 THR 76 -14.889 7.268 -6.232 584 3HG2 THR 76 3HG2 THR 76 -15.318 7.263 -4.521 585 H GLU 77 H GLU 77 -14.493 8.151 -3.010 586 HA GLU 77 HA GLU 77 -14.251 7.623 -0.198 587 1HB GLU 77 2HB GLU 77 -16.482 8.682 -1.935 588 2HB GLU 77 1HB GLU 77 -16.707 8.429 -0.204 589 1HG GLU 77 2HG GLU 77 -14.315 9.757 -0.236 590 2HG GLU 77 1HG GLU 77 -15.136 10.493 -1.613 591 H GLY 78 H GLY 78 -16.605 6.746 0.784 592 1HA GLY 78 2HA GLY 78 -16.918 4.025 -0.426 593 2HA GLY 78 1HA GLY 78 -16.938 4.305 1.315 594 H GLY 79 HN GLY 79 -18.551 6.608 1.409 595 1HA GLY 79 2HA GLY 79 -20.937 6.543 -0.095 596 2HA GLY 79 1HA GLY 79 -21.172 5.450 1.270 No H/Q in entry = 596 Start of MODEL 21 1 1H ALA 1 2H ALA 1 -11.174 7.349 1.284 2 2H ALA 1 1H ALA 1 -12.367 8.557 1.343 3 3H ALA 1 3H ALA 1 -12.178 7.621 -0.058 4 HA ALA 1 HA ALA 1 -10.665 8.994 -0.874 5 1HB ALA 1 2HB ALA 1 -12.076 10.426 1.130 6 2HB ALA 1 1HB ALA 1 -10.385 10.909 1.255 7 3HB ALA 1 3HB ALA 1 -11.242 11.085 -0.276 8 H ILE 2 H ILE 2 -8.840 7.600 -0.754 9 HA ILE 2 HA ILE 2 -6.850 8.426 1.292 10 HB ILE 2 HB ILE 2 -7.214 5.510 0.603 11 1HG1 ILE 2 2HG1 ILE 2 -8.331 6.842 3.079 12 2HG1 ILE 2 1HG1 ILE 2 -9.311 6.585 1.635 13 1HG2 ILE 2 2HG2 ILE 2 -5.943 6.986 2.930 14 2HG2 ILE 2 1HG2 ILE 2 -6.000 5.233 2.744 15 3HG2 ILE 2 3HG2 ILE 2 -5.076 6.212 1.603 16 1HD1 ILE 2 1HD1 ILE 2 -7.893 4.161 2.257 17 2HD1 ILE 2 3HD1 ILE 2 -8.752 4.716 3.693 18 3HD1 ILE 2 2HD1 ILE 2 -9.634 4.432 2.192 19 H ASP 3 H ASP 3 -5.279 9.256 -0.014 20 HA ASP 3 HA ASP 3 -4.846 8.393 -2.730 21 1HB ASP 3 2HB ASP 3 -4.229 10.656 -1.761 22 2HB ASP 3 1HB ASP 3 -2.871 9.858 -0.959 23 H ILE 4 H ILE 4 -3.025 7.195 -3.557 24 HA ILE 4 HA ILE 4 -1.688 5.470 -1.508 25 HB ILE 4 HB ILE 4 -2.341 4.566 -4.316 26 1HG1 ILE 4 2HG1 ILE 4 -4.413 5.282 -3.022 27 2HG1 ILE 4 1HG1 ILE 4 -4.387 3.588 -3.516 28 1HG2 ILE 4 2HG2 ILE 4 -1.284 3.376 -1.801 29 2HG2 ILE 4 1HG2 ILE 4 -2.377 2.372 -2.752 30 3HG2 ILE 4 3HG2 ILE 4 -0.894 2.992 -3.477 31 1HD1 ILE 4 2HD1 ILE 4 -3.139 4.124 -0.894 32 2HD1 ILE 4 1HD1 ILE 4 -4.875 4.429 -0.959 33 3HD1 ILE 4 3HD1 ILE 4 -4.243 2.835 -1.373 34 H LYS 5 H LYS 5 0.522 5.297 -1.713 35 HA LYS 5 HA LYS 5 1.794 6.191 -4.243 36 1HB LYS 5 2HB LYS 5 3.479 7.434 -2.636 37 2HB LYS 5 1HB LYS 5 1.987 8.232 -3.134 38 1HG LYS 5 2HG LYS 5 1.693 6.526 -0.753 39 2HG LYS 5 1HG LYS 5 2.777 7.898 -0.524 40 1HD LYS 5 2HD LYS 5 0.708 9.068 -1.886 41 2HD LYS 5 1HD LYS 5 -0.145 7.859 -0.925 42 1HE LYS 5 2HE LYS 5 1.926 9.275 0.592 43 2HE LYS 5 1HE LYS 5 0.660 10.343 -0.013 44 1HZ LYS 5 1HZ LYS 5 -0.591 8.055 0.932 45 2HZ LYS 5 3HZ LYS 5 0.543 8.496 2.112 46 3HZ LYS 5 2HZ LYS 5 -0.633 9.614 1.607 47 H ALA 6 H ALA 6 4.276 5.772 -4.037 48 HA ALA 6 HA ALA 6 4.632 3.000 -3.323 49 1HB ALA 6 1HB ALA 6 6.597 5.176 -4.090 50 2HB ALA 6 3HB ALA 6 7.068 3.500 -3.817 51 3HB ALA 6 2HB ALA 6 5.956 3.900 -5.125 52 HA PRO 7 HA PRO 7 5.933 3.383 0.850 53 1HB PRO 7 2HB PRO 7 7.636 1.229 1.002 54 2HB PRO 7 1HB PRO 7 5.871 1.079 0.949 55 1HG PRO 7 2HG PRO 7 7.865 0.532 -1.199 56 2HG PRO 7 1HG PRO 7 6.251 -0.161 -0.964 57 1HD PRO 7 2HD PRO 7 6.928 1.874 -2.813 58 2HD PRO 7 1HD PRO 7 5.282 1.406 -2.329 59 H THR 8 H THR 8 7.300 5.039 1.438 60 HA THR 8 HA THR 8 9.612 5.919 0.172 61 HB THR 8 HB THR 8 8.975 5.913 3.136 62 HG1 THR 8 HG1 THR 8 8.391 8.069 2.634 63 1HG2 THR 8 1HG2 THR 8 11.074 7.478 1.608 64 2HG2 THR 8 3HG2 THR 8 10.663 7.706 3.307 65 3HG2 THR 8 2HG2 THR 8 11.394 6.193 2.772 66 H PHE 9 H PHE 9 11.586 5.018 -0.160 67 HA PHE 9 HA PHE 9 12.334 2.664 1.521 68 1HB PHE 9 2HB PHE 9 14.039 2.400 -0.479 69 2HB PHE 9 1HB PHE 9 12.361 1.886 -0.676 70 HD1 PHE 9 HD1 PHE 9 14.529 4.925 -1.068 71 HD2 PHE 9 HD2 PHE 9 11.119 2.718 -2.473 72 HE1 PHE 9 HE1 PHE 9 14.250 6.540 -2.931 73 HE2 PHE 9 HE2 PHE 9 10.841 4.333 -4.335 74 HZ PHE 9 HZ PHE 9 12.406 6.244 -4.565 75 HA PRO 10 HA PRO 10 15.695 4.974 3.152 76 1HB PRO 10 2HB PRO 10 17.314 2.871 3.872 77 2HB PRO 10 1HB PRO 10 15.854 3.333 4.764 78 1HG PRO 10 2HG PRO 10 16.281 1.015 2.938 79 2HG PRO 10 1HG PRO 10 15.147 1.186 4.287 80 1HD PRO 10 2HD PRO 10 14.502 1.416 1.539 81 2HD PRO 10 1HD PRO 10 13.468 1.906 2.902 82 H GLU 11 H GLU 11 18.369 4.519 3.066 83 HA GLU 11 HA GLU 11 19.091 5.169 0.361 84 1HB GLU 11 2HB GLU 11 20.454 4.863 2.945 85 2HB GLU 11 1HB GLU 11 21.450 4.388 1.569 86 1HG GLU 11 2HG GLU 11 21.880 6.594 1.314 87 2HG GLU 11 1HG GLU 11 20.236 6.718 0.686 88 H SER 12 H SER 12 19.504 2.209 2.311 89 HA SER 12 HA SER 12 20.978 0.602 0.633 90 1HB SER 12 2HB SER 12 20.336 -0.620 2.462 91 2HB SER 12 1HB SER 12 18.727 0.100 2.504 92 HG SER 12 HG SER 12 19.533 -1.649 0.437 93 H ILE 13 H ILE 13 17.586 1.529 0.212 94 HA ILE 13 HA ILE 13 17.647 0.183 -2.460 95 HB ILE 13 HB ILE 13 15.194 0.976 -0.866 96 1HG1 ILE 13 2HG1 ILE 13 16.654 -0.766 0.260 97 2HG1 ILE 13 1HG1 ILE 13 15.032 -1.323 -0.151 98 1HG2 ILE 13 3HG2 ILE 13 15.701 -0.095 -3.533 99 2HG2 ILE 13 2HG2 ILE 13 14.637 -1.142 -2.594 100 3HG2 ILE 13 1HG2 ILE 13 14.207 0.549 -2.852 101 1HD1 ILE 13 2HD1 ILE 13 16.927 -1.710 -2.343 102 2HD1 ILE 13 1HD1 ILE 13 17.408 -2.569 -0.880 103 3HD1 ILE 13 3HD1 ILE 13 15.825 -2.867 -1.598 104 H ALA 14 H ALA 14 18.146 1.737 -3.947 105 HA ALA 14 HA ALA 14 17.484 4.538 -3.549 106 1HB ALA 14 2HB ALA 14 19.150 3.019 -5.294 107 2HB ALA 14 1HB ALA 14 18.059 3.973 -6.298 108 3HB ALA 14 3HB ALA 14 19.087 4.772 -5.109 109 H ASP 15 H ASP 15 15.574 1.955 -4.356 110 HA ASP 15 HA ASP 15 13.257 3.378 -4.933 111 1HB ASP 15 2HB ASP 15 13.244 2.850 -7.529 112 2HB ASP 15 1HB ASP 15 13.968 4.341 -6.926 113 H GLY 16 H GLY 16 11.794 1.869 -6.592 114 1HA GLY 16 2HA GLY 16 12.436 -0.984 -6.084 115 2HA GLY 16 1HA GLY 16 10.921 -0.357 -5.430 116 H THR 17 H THR 17 10.022 -2.073 -6.934 117 HA THR 17 HA THR 17 9.322 -0.789 -9.501 118 HB THR 17 HB THR 17 10.109 -3.667 -9.669 119 HG1 THR 17 HG1 THR 17 12.210 -3.215 -9.756 120 1HG2 THR 17 2HG2 THR 17 10.269 -1.273 -11.520 121 2HG2 THR 17 1HG2 THR 17 10.781 -2.905 -11.950 122 3HG2 THR 17 3HG2 THR 17 9.085 -2.578 -11.591 123 H VAL 18 H VAL 18 7.166 -1.076 -9.833 124 HA VAL 18 HA VAL 18 5.390 -2.250 -8.069 125 HB VAL 18 HB VAL 18 5.098 -2.222 -11.089 126 1HG1 VAL 18 3HG1 VAL 18 3.224 -2.705 -8.795 127 2HG1 VAL 18 2HG1 VAL 18 2.616 -1.900 -10.242 128 3HG1 VAL 18 1HG1 VAL 18 3.308 -3.519 -10.359 129 1HG2 VAL 18 3HG2 VAL 18 4.513 -0.164 -8.943 130 2HG2 VAL 18 2HG2 VAL 18 5.593 0.008 -10.326 131 3HG2 VAL 18 1HG2 VAL 18 3.849 -0.071 -10.574 132 H ALA 19 H ALA 19 4.173 -4.307 -8.178 133 HA ALA 19 HA ALA 19 5.907 -6.525 -9.189 134 1HB ALA 19 1HB ALA 19 5.394 -6.258 -6.656 135 2HB ALA 19 3HB ALA 19 3.781 -6.836 -7.073 136 3HB ALA 19 2HB ALA 19 5.189 -7.853 -7.378 137 H THR 20 H THR 20 2.455 -6.273 -8.274 138 HA THR 20 HA THR 20 1.607 -6.817 -11.024 139 HB THR 20 HB THR 20 1.354 -8.918 -8.856 140 HG1 THR 20 HG1 THR 20 3.047 -9.544 -9.924 141 1HG2 THR 20 3HG2 THR 20 -0.532 -8.215 -10.871 142 2HG2 THR 20 2HG2 THR 20 0.222 -9.734 -11.354 143 3HG2 THR 20 1HG2 THR 20 -0.572 -9.603 -9.784 144 H TRP 21 H TRP 21 -0.417 -5.953 -11.308 145 HA TRP 21 HA TRP 21 -1.784 -4.865 -8.940 146 1HB TRP 21 2HB TRP 21 -1.861 -4.439 -11.892 147 2HB TRP 21 1HB TRP 21 -3.326 -4.090 -10.979 148 HD1 TRP 21 HD1 TRP 21 0.137 -2.805 -11.669 149 HE1 TRP 21 HE1 TRP 21 0.493 -0.574 -10.415 150 HE3 TRP 21 HE3 TRP 21 -4.027 -2.761 -8.710 151 HZ2 TRP 21 HZ2 TRP 21 -0.790 0.999 -8.451 152 HZ3 TRP 21 HZ3 TRP 21 -4.436 -0.874 -7.148 153 HH2 TRP 21 HH2 TRP 21 -2.822 1.009 -7.015 154 H HIS 22 H HIS 22 -2.547 -6.910 -8.065 155 HA HIS 22 HA HIS 22 -3.935 -8.960 -9.316 156 1HB HIS 22 2HB HIS 22 -5.209 -7.838 -6.841 157 2HB HIS 22 1HB HIS 22 -4.863 -9.520 -7.258 158 HD1 HIS 22 HD1 HIS 22 -3.188 -6.375 -6.032 159 HD2 HIS 22 HD2 HIS 22 -2.300 -10.421 -6.486 160 HE1 HIS 22 HE1 HIS 22 -0.931 -6.730 -4.978 161 H LYS 23 H LYS 23 -5.586 -6.062 -7.993 162 HA LYS 23 HA LYS 23 -7.778 -6.573 -9.951 163 1HB LYS 23 2HB LYS 23 -7.662 -5.509 -7.203 164 2HB LYS 23 1HB LYS 23 -8.702 -4.589 -8.292 165 1HG LYS 23 2HG LYS 23 -10.269 -6.164 -7.846 166 2HG LYS 23 1HG LYS 23 -9.338 -7.198 -8.930 167 1HD LYS 23 2HD LYS 23 -7.993 -7.978 -6.985 168 2HD LYS 23 1HD LYS 23 -9.008 -7.004 -5.921 169 1HE LYS 23 2HE LYS 23 -10.654 -8.547 -5.935 170 2HE LYS 23 1HE LYS 23 -10.602 -8.682 -7.692 171 1HZ LYS 23 3HZ LYS 23 -8.456 -9.881 -6.083 172 2HZ LYS 23 2HZ LYS 23 -9.941 -10.693 -6.224 173 3HZ LYS 23 1HZ LYS 23 -9.032 -10.333 -7.613 174 H LYS 24 H LYS 24 -8.620 -4.735 -11.150 175 HA LYS 24 HA LYS 24 -6.496 -2.756 -11.765 176 1HB LYS 24 2HB LYS 24 -8.682 -4.028 -13.241 177 2HB LYS 24 1HB LYS 24 -8.625 -2.281 -13.489 178 1HG LYS 24 2HG LYS 24 -6.377 -2.362 -14.274 179 2HG LYS 24 1HG LYS 24 -6.155 -4.012 -13.693 180 1HD LYS 24 2HD LYS 24 -8.326 -4.284 -15.360 181 2HD LYS 24 1HD LYS 24 -7.372 -3.057 -16.195 182 1HE LYS 24 2HE LYS 24 -5.393 -4.511 -16.106 183 2HE LYS 24 1HE LYS 24 -6.316 -5.732 -15.231 184 1HZ LYS 24 2HZ LYS 24 -7.050 -4.718 -17.921 185 2HZ LYS 24 1HZ LYS 24 -6.143 -6.130 -17.659 186 3HZ LYS 24 3HZ LYS 24 -7.740 -6.032 -17.095 187 HA PRO 25 HA PRO 25 -8.619 0.619 -9.940 188 1HB PRO 25 2HB PRO 25 -8.163 2.612 -11.780 189 2HB PRO 25 1HB PRO 25 -6.917 1.985 -10.688 190 1HG PRO 25 2HG PRO 25 -7.279 1.486 -13.609 191 2HG PRO 25 1HG PRO 25 -5.795 1.459 -12.641 192 1HD PRO 25 2HD PRO 25 -7.227 -0.812 -13.508 193 2HD PRO 25 1HD PRO 25 -5.979 -0.793 -12.246 194 H GLY 26 H GLY 26 -10.856 0.282 -9.942 195 1HA GLY 26 2HA GLY 26 -12.768 1.709 -11.063 196 2HA GLY 26 1HA GLY 26 -12.345 0.737 -12.479 197 H GLU 27 H GLU 27 -11.709 -1.372 -10.160 198 HA GLU 27 HA GLU 27 -14.378 -2.626 -10.378 199 1HB GLU 27 2HB GLU 27 -11.714 -3.620 -9.330 200 2HB GLU 27 1HB GLU 27 -13.194 -4.579 -9.289 201 1HG GLU 27 2HG GLU 27 -12.412 -3.323 -11.888 202 2HG GLU 27 1HG GLU 27 -11.508 -4.738 -11.347 203 H ALA 28 H ALA 28 -14.665 -4.046 -8.097 204 HA ALA 28 HA ALA 28 -14.984 -1.903 -6.051 205 1HB ALA 28 3HB ALA 28 -16.446 -4.424 -6.709 206 2HB ALA 28 2HB ALA 28 -16.419 -3.912 -5.021 207 3HB ALA 28 1HB ALA 28 -17.083 -2.843 -6.257 208 H VAL 29 H VAL 29 -14.270 -2.269 -3.891 209 HA VAL 29 HA VAL 29 -12.486 -4.637 -3.522 210 HB VAL 29 HB VAL 29 -11.830 -1.933 -2.362 211 1HG1 VAL 29 2HG1 VAL 29 -10.255 -4.435 -3.032 212 2HG1 VAL 29 1HG1 VAL 29 -9.524 -2.935 -2.459 213 3HG1 VAL 29 3HG1 VAL 29 -10.639 -3.825 -1.423 214 1HG2 VAL 29 1HG2 VAL 29 -11.335 -2.977 -5.144 215 2HG2 VAL 29 3HG2 VAL 29 -11.827 -1.361 -4.640 216 3HG2 VAL 29 2HG2 VAL 29 -10.165 -1.896 -4.385 217 H LYS 30 H LYS 30 -12.107 -5.114 -1.177 218 HA LYS 30 HA LYS 30 -14.292 -4.067 0.570 219 1HB LYS 30 2HB LYS 30 -14.670 -6.430 -0.486 220 2HB LYS 30 1HB LYS 30 -13.456 -6.957 0.681 221 1HG LYS 30 2HG LYS 30 -14.781 -6.156 2.532 222 2HG LYS 30 1HG LYS 30 -15.927 -5.377 1.440 223 1HD LYS 30 2HD LYS 30 -15.904 -7.987 0.530 224 2HD LYS 30 1HD LYS 30 -15.763 -8.185 2.277 225 1HE LYS 30 2HE LYS 30 -18.112 -8.119 1.793 226 2HE LYS 30 1HE LYS 30 -17.704 -6.556 2.501 227 1HZ LYS 30 1HZ LYS 30 -17.263 -6.342 -0.226 228 2HZ LYS 30 3HZ LYS 30 -18.761 -7.118 -0.054 229 3HZ LYS 30 2HZ LYS 30 -18.497 -5.610 0.682 230 H ARG 31 H ARG 31 -13.688 -3.792 2.729 231 HA ARG 31 HA ARG 31 -11.099 -3.216 3.455 232 1HB ARG 31 2HB ARG 31 -13.072 -2.800 4.899 233 2HB ARG 31 1HB ARG 31 -13.149 -4.524 5.266 234 1HG ARG 31 2HG ARG 31 -10.802 -4.378 6.148 235 2HG ARG 31 1HG ARG 31 -10.876 -2.630 5.925 236 1HD ARG 31 2HD ARG 31 -11.604 -2.714 8.104 237 2HD ARG 31 1HD ARG 31 -13.157 -2.965 7.307 238 HE ARG 31 HE ARG 31 -11.587 -5.020 8.727 239 1HH1 ARG 31 2HH1 ARG 31 -12.439 -6.423 6.336 240 2HH1 ARG 31 1HH1 ARG 31 -14.058 -6.922 6.697 241 1HH2 ARG 31 1HH2 ARG 31 -14.437 -4.695 9.329 242 2HH2 ARG 31 2HH2 ARG 31 -15.189 -5.943 8.392 243 H ASP 32 H ASP 32 -9.275 -4.367 4.037 244 HA ASP 32 HA ASP 32 -7.905 -6.228 4.490 245 1HB ASP 32 2HB ASP 32 -10.002 -6.830 5.954 246 2HB ASP 32 1HB ASP 32 -10.332 -7.993 4.669 247 H GLU 33 H GLU 33 -8.174 -5.537 1.888 248 HA GLU 33 HA GLU 33 -8.196 -8.185 0.538 249 1HB GLU 33 2HB GLU 33 -10.406 -6.849 0.232 250 2HB GLU 33 1HB GLU 33 -9.445 -5.791 -0.802 251 1HG GLU 33 2HG GLU 33 -9.866 -7.261 -2.466 252 2HG GLU 33 1HG GLU 33 -8.736 -8.342 -1.650 253 H LEU 34 H LEU 34 -6.160 -8.348 -0.265 254 HA LEU 34 HA LEU 34 -4.218 -6.417 -0.522 255 1HB LEU 34 2HB LEU 34 -3.850 -8.835 -0.957 256 2HB LEU 34 1HB LEU 34 -4.683 -8.667 -2.504 257 HG LEU 34 HG LEU 34 -3.005 -7.012 -3.233 258 1HD1 LEU 34 3HD1 LEU 34 -1.726 -7.628 -0.551 259 2HD1 LEU 34 2HD1 LEU 34 -0.975 -6.679 -1.834 260 3HD1 LEU 34 1HD1 LEU 34 -2.432 -6.086 -1.036 261 1HD2 LEU 34 2HD2 LEU 34 -1.968 -9.666 -2.204 262 2HD2 LEU 34 1HD2 LEU 34 -2.523 -9.287 -3.834 263 3HD2 LEU 34 3HD2 LEU 34 -1.012 -8.602 -3.236 264 H ILE 35 H ILE 35 -3.375 -5.282 -2.488 265 HA ILE 35 HA ILE 35 -5.470 -4.667 -4.509 266 HB ILE 35 HB ILE 35 -3.875 -2.431 -3.278 267 1HG1 ILE 35 2HG1 ILE 35 -6.515 -3.553 -2.285 268 2HG1 ILE 35 1HG1 ILE 35 -4.993 -3.523 -1.392 269 1HG2 ILE 35 2HG2 ILE 35 -6.410 -2.735 -4.881 270 2HG2 ILE 35 1HG2 ILE 35 -6.094 -1.264 -3.959 271 3HG2 ILE 35 3HG2 ILE 35 -4.988 -1.756 -5.243 272 1HD1 ILE 35 1HD1 ILE 35 -5.386 -0.874 -2.224 273 2HD1 ILE 35 3HD1 ILE 35 -6.978 -1.423 -1.701 274 3HD1 ILE 35 2HD1 ILE 35 -5.609 -1.507 -0.593 275 H VAL 36 H VAL 36 -2.084 -4.256 -3.486 276 HA VAL 36 HA VAL 36 -1.191 -4.888 -6.202 277 HB VAL 36 HB VAL 36 -1.704 -2.411 -6.248 278 1HG1 VAL 36 2HG1 VAL 36 0.498 -2.433 -4.169 279 2HG1 VAL 36 1HG1 VAL 36 0.040 -0.988 -5.070 280 3HG1 VAL 36 3HG1 VAL 36 -1.129 -1.770 -4.006 281 1HG2 VAL 36 1HG2 VAL 36 0.308 -3.791 -7.418 282 2HG2 VAL 36 3HG2 VAL 36 0.051 -2.067 -7.684 283 3HG2 VAL 36 2HG2 VAL 36 1.251 -2.609 -6.510 284 H ASP 37 H ASP 37 0.880 -5.754 -6.150 285 HA ASP 37 HA ASP 37 2.114 -5.964 -3.453 286 1HB ASP 37 2HB ASP 37 2.179 -7.609 -5.951 287 2HB ASP 37 1HB ASP 37 3.586 -7.663 -4.887 288 H ILE 38 H ILE 38 4.348 -5.467 -3.150 289 HA ILE 38 HA ILE 38 5.417 -3.567 -5.186 290 HB ILE 38 HB ILE 38 6.315 -3.927 -2.313 291 1HG1 ILE 38 2HG1 ILE 38 3.973 -3.258 -2.308 292 2HG1 ILE 38 1HG1 ILE 38 4.960 -1.855 -1.898 293 1HG2 ILE 38 3HG2 ILE 38 7.277 -2.413 -4.563 294 2HG2 ILE 38 2HG2 ILE 38 6.690 -1.300 -3.326 295 3HG2 ILE 38 1HG2 ILE 38 7.932 -2.488 -2.927 296 1HD1 ILE 38 3HD1 ILE 38 4.920 -1.442 -4.503 297 2HD1 ILE 38 2HD1 ILE 38 3.472 -2.445 -4.434 298 3HD1 ILE 38 1HD1 ILE 38 3.549 -0.946 -3.510 299 H GLU 39 H GLU 39 7.443 -3.922 -6.096 300 HA GLU 39 HA GLU 39 8.870 -6.404 -5.228 301 1HB GLU 39 2HB GLU 39 7.574 -6.023 -7.669 302 2HB GLU 39 1HB GLU 39 9.272 -5.710 -8.034 303 1HG GLU 39 2HG GLU 39 9.832 -7.886 -7.783 304 2HG GLU 39 1HG GLU 39 8.906 -8.031 -6.289 305 H THR 40 H THR 40 10.419 -5.218 -4.023 306 HA THR 40 HA THR 40 11.894 -3.041 -5.357 307 HB THR 40 HB THR 40 12.820 -2.572 -3.258 308 HG1 THR 40 HG1 THR 40 13.771 -4.362 -2.589 309 1HG2 THR 40 1HG2 THR 40 10.213 -2.628 -3.362 310 2HG2 THR 40 3HG2 THR 40 10.368 -4.026 -2.300 311 3HG2 THR 40 2HG2 THR 40 10.996 -2.459 -1.791 312 H ASP 41 H ASP 41 14.469 -3.345 -4.650 313 HA ASP 41 HA ASP 41 15.657 -4.976 -6.518 314 1HB ASP 41 2HB ASP 41 17.005 -3.435 -5.244 315 2HB ASP 41 1HB ASP 41 16.656 -4.293 -3.742 316 H LYS 42 H LYS 42 15.352 -5.949 -3.079 317 HA LYS 42 HA LYS 42 14.804 -8.722 -4.001 318 1HB LYS 42 2HB LYS 42 17.108 -7.813 -2.296 319 2HB LYS 42 1HB LYS 42 16.416 -9.417 -2.050 320 1HG LYS 42 2HG LYS 42 16.876 -8.756 -4.878 321 2HG LYS 42 1HG LYS 42 18.352 -8.809 -3.913 322 1HD LYS 42 2HD LYS 42 18.211 -11.056 -3.592 323 2HD LYS 42 1HD LYS 42 16.461 -11.009 -3.375 324 1HE LYS 42 2HE LYS 42 17.453 -10.413 -6.110 325 2HE LYS 42 1HE LYS 42 17.638 -12.079 -5.562 326 1HZ LYS 42 3HZ LYS 42 15.151 -11.548 -4.765 327 2HZ LYS 42 2HZ LYS 42 15.231 -10.579 -6.159 328 3HZ LYS 42 1HZ LYS 42 15.527 -12.249 -6.263 329 H VAL 43 H VAL 43 13.134 -6.635 -2.792 330 HA VAL 43 HA VAL 43 12.383 -8.110 -0.306 331 HB VAL 43 HB VAL 43 12.140 -5.109 -0.613 332 1HG1 VAL 43 3HG1 VAL 43 11.242 -7.070 1.295 333 2HG1 VAL 43 2HG1 VAL 43 12.393 -5.985 2.072 334 3HG1 VAL 43 1HG1 VAL 43 10.956 -5.330 1.288 335 1HG2 VAL 43 3HG2 VAL 43 14.550 -6.167 -0.628 336 2HG2 VAL 43 2HG2 VAL 43 14.207 -4.801 0.434 337 3HG2 VAL 43 1HG2 VAL 43 14.233 -6.440 1.085 338 H VAL 44 H VAL 44 10.477 -9.064 -0.867 339 HA VAL 44 HA VAL 44 8.624 -7.647 -2.693 340 HB VAL 44 HB VAL 44 8.201 -10.368 -1.446 341 1HG1 VAL 44 3HG1 VAL 44 6.793 -8.702 -3.310 342 2HG1 VAL 44 2HG1 VAL 44 7.359 -10.142 -4.157 343 3HG1 VAL 44 1HG1 VAL 44 6.348 -10.304 -2.721 344 1HG2 VAL 44 3HG2 VAL 44 9.933 -9.548 -3.780 345 2HG2 VAL 44 2HG2 VAL 44 10.338 -10.619 -2.438 346 3HG2 VAL 44 1HG2 VAL 44 9.221 -11.159 -3.691 347 H MET 45 H MET 45 6.919 -6.507 -1.908 348 HA MET 45 HA MET 45 6.015 -7.105 0.882 349 1HB MET 45 2HB MET 45 6.521 -4.475 -0.497 350 2HB MET 45 1HB MET 45 5.354 -4.578 0.823 351 1HG MET 45 2HG MET 45 7.793 -5.983 1.510 352 2HG MET 45 1HG MET 45 8.143 -4.314 1.062 353 1HE MET 45 2HE MET 45 7.088 -6.789 3.256 354 2HE MET 45 1HE MET 45 8.056 -5.866 4.403 355 3HE MET 45 3HE MET 45 6.324 -6.089 4.681 356 H GLU 46 H GLU 46 3.721 -5.832 1.108 357 HA GLU 46 HA GLU 46 2.126 -6.408 -1.348 358 1HB GLU 46 2HB GLU 46 1.304 -7.176 1.468 359 2HB GLU 46 1HB GLU 46 0.417 -7.514 -0.019 360 1HG GLU 46 2HG GLU 46 1.672 -9.337 -0.457 361 2HG GLU 46 1HG GLU 46 3.172 -8.456 -0.166 362 H VAL 47 H VAL 47 0.116 -5.190 -1.449 363 HA VAL 47 HA VAL 47 0.030 -2.874 0.442 364 HB VAL 47 HB VAL 47 -0.585 -2.782 -2.526 365 1HG1 VAL 47 1HG1 VAL 47 -1.270 -1.075 -0.366 366 2HG1 VAL 47 3HG1 VAL 47 0.013 -0.263 -1.264 367 3HG1 VAL 47 2HG1 VAL 47 -1.464 -0.756 -2.090 368 1HG2 VAL 47 2HG2 VAL 47 1.911 -2.367 -0.957 369 2HG2 VAL 47 1HG2 VAL 47 1.709 -2.887 -2.630 370 3HG2 VAL 47 3HG2 VAL 47 1.567 -1.179 -2.213 371 H LEU 48 H LEU 48 -1.716 -3.612 1.666 372 HA LEU 48 HA LEU 48 -4.201 -4.321 0.170 373 1HB LEU 48 2HB LEU 48 -3.262 -5.960 1.867 374 2HB LEU 48 1HB LEU 48 -3.637 -4.768 3.111 375 HG LEU 48 HG LEU 48 -5.886 -5.212 1.302 376 1HD1 LEU 48 2HD1 LEU 48 -4.781 -7.490 1.288 377 2HD1 LEU 48 1HD1 LEU 48 -5.023 -7.544 3.033 378 3HD1 LEU 48 3HD1 LEU 48 -6.414 -7.473 1.953 379 1HD2 LEU 48 2HD2 LEU 48 -5.478 -4.304 3.854 380 2HD2 LEU 48 1HD2 LEU 48 -7.044 -4.819 3.228 381 3HD2 LEU 48 3HD2 LEU 48 -6.055 -5.941 4.162 382 H ALA 49 H ALA 49 -6.187 -3.296 0.800 383 HA ALA 49 HA ALA 49 -5.808 -0.546 1.762 384 1HB ALA 49 3HB ALA 49 -8.089 -2.111 0.586 385 2HB ALA 49 2HB ALA 49 -8.416 -0.595 1.427 386 3HB ALA 49 1HB ALA 49 -7.359 -0.610 0.015 387 H GLU 50 H GLU 50 -7.195 0.319 3.529 388 HA GLU 50 HA GLU 50 -7.480 -1.709 5.695 389 1HB GLU 50 2HB GLU 50 -6.423 0.955 5.605 390 2HB GLU 50 1HB GLU 50 -7.816 0.941 6.688 391 1HG GLU 50 2HG GLU 50 -6.651 -1.327 7.515 392 2HG GLU 50 1HG GLU 50 -5.211 -0.491 6.932 393 H ALA 51 H ALA 51 -9.431 -0.839 3.431 394 HA ALA 51 HA ALA 51 -11.842 -1.199 4.909 395 1HB ALA 51 3HB ALA 51 -11.059 1.646 4.284 396 2HB ALA 51 2HB ALA 51 -12.753 1.176 4.415 397 3HB ALA 51 1HB ALA 51 -11.675 0.984 5.798 398 H ASP 52 H ASP 52 -13.803 -0.568 3.424 399 HA ASP 52 HA ASP 52 -13.219 -1.663 0.786 400 1HB ASP 52 2HB ASP 52 -15.288 -2.406 1.461 401 2HB ASP 52 1HB ASP 52 -15.667 -0.923 2.330 402 H GLY 53 H GLY 53 -14.230 -0.491 -1.166 403 1HA GLY 53 2HA GLY 53 -14.810 2.125 -1.555 404 2HA GLY 53 1HA GLY 53 -13.074 2.223 -1.238 405 H VAL 54 H VAL 54 -13.748 3.079 -3.674 406 HA VAL 54 HA VAL 54 -13.094 0.782 -5.476 407 HB VAL 54 HB VAL 54 -14.834 3.209 -5.966 408 1HG1 VAL 54 1HG1 VAL 54 -13.583 1.260 -7.912 409 2HG1 VAL 54 3HG1 VAL 54 -15.023 2.197 -8.309 410 3HG1 VAL 54 2HG1 VAL 54 -13.508 3.023 -7.944 411 1HG2 VAL 54 1HG2 VAL 54 -15.249 0.210 -6.001 412 2HG2 VAL 54 3HG2 VAL 54 -16.062 1.401 -4.985 413 3HG2 VAL 54 2HG2 VAL 54 -16.405 1.334 -6.714 414 H ILE 55 H ILE 55 -11.133 0.989 -6.438 415 HA ILE 55 HA ILE 55 -9.400 3.194 -6.010 416 HB ILE 55 HB ILE 55 -9.327 1.220 -8.312 417 1HG1 ILE 55 2HG1 ILE 55 -9.487 0.257 -5.945 418 2HG1 ILE 55 1HG1 ILE 55 -8.077 -0.233 -6.882 419 1HG2 ILE 55 1HG2 ILE 55 -7.285 3.054 -7.042 420 2HG2 ILE 55 3HG2 ILE 55 -6.819 1.667 -8.028 421 3HG2 ILE 55 2HG2 ILE 55 -7.768 2.974 -8.737 422 1HD1 ILE 55 2HD1 ILE 55 -6.774 1.605 -5.785 423 2HD1 ILE 55 1HD1 ILE 55 -8.176 1.939 -4.768 424 3HD1 ILE 55 3HD1 ILE 55 -7.347 0.386 -4.646 425 H ALA 56 H ALA 56 -8.554 4.695 -7.708 426 HA ALA 56 HA ALA 56 -10.807 5.684 -9.385 427 1HB ALA 56 1HB ALA 56 -8.285 7.003 -8.353 428 2HB ALA 56 3HB ALA 56 -9.351 7.766 -9.533 429 3HB ALA 56 2HB ALA 56 -9.952 7.382 -7.919 430 H GLU 57 H GLU 57 -7.238 5.721 -9.706 431 HA GLU 57 HA GLU 57 -7.352 4.242 -12.217 432 1HB GLU 57 2HB GLU 57 -7.234 7.216 -12.180 433 2HB GLU 57 1HB GLU 57 -6.128 6.398 -13.285 434 1HG GLU 57 2HG GLU 57 -8.382 4.995 -13.790 435 2HG GLU 57 1HG GLU 57 -9.095 6.545 -13.340 436 H ILE 58 H ILE 58 -5.377 3.282 -12.557 437 HA ILE 58 HA ILE 58 -3.207 3.979 -10.666 438 HB ILE 58 HB ILE 58 -3.466 1.676 -12.626 439 1HG1 ILE 58 2HG1 ILE 58 -5.131 1.460 -10.896 440 2HG1 ILE 58 1HG1 ILE 58 -3.802 0.378 -10.468 441 1HG2 ILE 58 2HG2 ILE 58 -1.120 2.352 -12.018 442 2HG2 ILE 58 1HG2 ILE 58 -1.526 2.061 -10.327 443 3HG2 ILE 58 3HG2 ILE 58 -1.550 0.728 -11.481 444 1HD1 ILE 58 3HD1 ILE 58 -2.871 2.251 -9.037 445 2HD1 ILE 58 2HD1 ILE 58 -4.379 3.122 -9.322 446 3HD1 ILE 58 1HD1 ILE 58 -4.400 1.578 -8.469 447 H VAL 59 H VAL 59 -1.582 5.294 -11.326 448 HA VAL 59 HA VAL 59 -1.291 5.882 -14.207 449 HB VAL 59 HB VAL 59 0.304 7.045 -11.913 450 1HG1 VAL 59 3HG1 VAL 59 0.860 7.306 -14.475 451 2HG1 VAL 59 2HG1 VAL 59 -0.488 8.442 -14.452 452 3HG1 VAL 59 1HG1 VAL 59 0.916 8.718 -13.420 453 1HG2 VAL 59 2HG2 VAL 59 -2.445 7.730 -12.962 454 2HG2 VAL 59 1HG2 VAL 59 -1.936 7.502 -11.288 455 3HG2 VAL 59 3HG2 VAL 59 -1.437 8.944 -12.174 456 H LYS 60 H LYS 60 0.133 3.869 -11.831 457 HA LYS 60 HA LYS 60 2.586 3.555 -13.513 458 1HB LYS 60 2HB LYS 60 2.202 3.740 -10.680 459 2HB LYS 60 1HB LYS 60 2.817 2.129 -11.053 460 1HG LYS 60 2HG LYS 60 4.780 3.408 -10.833 461 2HG LYS 60 1HG LYS 60 4.517 3.379 -12.576 462 1HD LYS 60 2HD LYS 60 3.080 5.560 -12.023 463 2HD LYS 60 1HD LYS 60 4.182 5.634 -10.647 464 1HE LYS 60 2HE LYS 60 6.060 5.914 -11.991 465 2HE LYS 60 1HE LYS 60 5.304 5.141 -13.384 466 1HZ LYS 60 1HZ LYS 60 3.751 7.101 -13.414 467 2HZ LYS 60 3HZ LYS 60 4.793 7.851 -12.306 468 3HZ LYS 60 2HZ LYS 60 5.359 7.429 -13.852 469 H ASN 61 H ASN 61 2.702 1.713 -14.699 470 HA ASN 61 HA ASN 61 0.709 -0.419 -14.198 471 1HB ASN 61 2HB ASN 61 2.670 0.045 -16.464 472 2HB ASN 61 1HB ASN 61 1.563 -1.325 -16.379 473 1HD2 ASN 61 2HD2 ASN 61 0.192 2.141 -17.821 474 2HD2 ASN 61 1HD2 ASN 61 1.848 1.781 -17.633 475 H GLU 62 H GLU 62 1.657 -2.739 -14.598 476 HA GLU 62 HA GLU 62 3.611 -3.229 -12.530 477 1HB GLU 62 2HB GLU 62 2.721 -5.148 -14.700 478 2HB GLU 62 1HB GLU 62 3.382 -5.558 -13.117 479 1HG GLU 62 2HG GLU 62 1.439 -4.705 -11.988 480 2HG GLU 62 1HG GLU 62 0.818 -3.990 -13.480 481 H GLY 63 H GLY 63 5.784 -3.928 -12.769 482 1HA GLY 63 2HA GLY 63 7.801 -4.386 -13.964 483 2HA GLY 63 1HA GLY 63 6.962 -4.007 -15.472 484 H ASP 64 H ASP 64 6.038 -1.523 -13.661 485 HA ASP 64 HA ASP 64 8.112 0.234 -14.775 486 1HB ASP 64 2HB ASP 64 6.085 1.287 -15.026 487 2HB ASP 64 1HB ASP 64 5.405 0.585 -13.559 488 H THR 65 H THR 65 8.912 2.037 -13.258 489 HA THR 65 HA THR 65 9.945 0.723 -10.793 490 HB THR 65 HB THR 65 11.508 1.763 -12.527 491 HG1 THR 65 HG1 THR 65 12.267 1.393 -10.477 492 1HG2 THR 65 2HG2 THR 65 9.792 3.858 -12.467 493 2HG2 THR 65 1HG2 THR 65 10.999 4.417 -11.308 494 3HG2 THR 65 3HG2 THR 65 11.480 4.007 -12.954 495 H VAL 66 H VAL 66 10.035 2.039 -8.799 496 HA VAL 66 HA VAL 66 7.853 4.085 -8.708 497 HB VAL 66 HB VAL 66 7.348 3.304 -6.428 498 1HG1 VAL 66 2HG1 VAL 66 7.298 1.393 -8.739 499 2HG1 VAL 66 1HG1 VAL 66 6.762 0.829 -7.157 500 3HG1 VAL 66 3HG1 VAL 66 5.956 2.197 -7.925 501 1HG2 VAL 66 2HG2 VAL 66 9.685 1.490 -7.008 502 2HG2 VAL 66 1HG2 VAL 66 9.387 2.482 -5.581 503 3HG2 VAL 66 3HG2 VAL 66 8.449 1.012 -5.845 504 H LEU 67 H LEU 67 8.156 5.715 -6.970 505 HA LEU 67 HA LEU 67 11.042 6.069 -6.258 506 1HB LEU 67 2HB LEU 67 9.963 7.615 -8.093 507 2HB LEU 67 1HB LEU 67 9.220 8.417 -6.708 508 HG LEU 67 HG LEU 67 12.049 7.888 -6.254 509 1HD1 LEU 67 2HD1 LEU 67 11.403 8.610 -8.903 510 2HD1 LEU 67 1HD1 LEU 67 11.959 10.092 -8.125 511 3HD1 LEU 67 3HD1 LEU 67 12.995 8.665 -8.145 512 1HD2 LEU 67 1HD2 LEU 67 10.314 9.519 -5.153 513 2HD2 LEU 67 3HD2 LEU 67 11.983 10.053 -5.356 514 3HD2 LEU 67 2HD2 LEU 67 10.741 10.589 -6.488 515 H SER 68 H SER 68 11.174 7.823 -4.415 516 HA SER 68 HA SER 68 9.624 6.803 -2.188 517 1HB SER 68 2HB SER 68 11.910 7.584 -1.834 518 2HB SER 68 1HB SER 68 11.481 9.191 -2.411 519 HG SER 68 HG SER 68 10.252 7.901 -0.200 520 H GLY 69 H GLY 69 7.429 7.273 -2.860 521 1HA GLY 69 2HA GLY 69 5.649 8.788 -2.062 522 2HA GLY 69 1HA GLY 69 6.710 10.145 -2.447 523 H GLU 70 H GLU 70 6.576 7.487 -4.672 524 HA GLU 70 HA GLU 70 5.568 9.255 -6.766 525 1HB GLU 70 2HB GLU 70 7.300 7.489 -7.175 526 2HB GLU 70 1HB GLU 70 6.066 6.264 -6.871 527 1HG GLU 70 2HG GLU 70 6.013 6.480 -9.209 528 2HG GLU 70 1HG GLU 70 4.697 7.536 -8.692 529 H LEU 71 H LEU 71 3.424 9.622 -7.036 530 HA LEU 71 HA LEU 71 1.384 8.097 -5.713 531 1HB LEU 71 2HB LEU 71 1.025 10.437 -6.354 532 2HB LEU 71 1HB LEU 71 1.181 10.010 -8.058 533 HG LEU 71 HG LEU 71 -0.812 8.453 -6.505 534 1HD1 LEU 71 3HD1 LEU 71 -1.205 11.372 -7.232 535 2HD1 LEU 71 2HD1 LEU 71 -2.501 10.275 -6.754 536 3HD1 LEU 71 1HD1 LEU 71 -1.224 10.686 -5.607 537 1HD2 LEU 71 1HD2 LEU 71 -0.131 8.907 -9.190 538 2HD2 LEU 71 3HD2 LEU 71 -1.544 8.032 -8.601 539 3HD2 LEU 71 2HD2 LEU 71 -1.662 9.754 -8.965 540 H LEU 72 H LEU 72 0.334 6.268 -6.374 541 HA LEU 72 HA LEU 72 0.875 5.323 -9.161 542 1HB LEU 72 2HB LEU 72 0.234 3.625 -6.733 543 2HB LEU 72 1HB LEU 72 0.727 3.051 -8.326 544 HG LEU 72 HG LEU 72 2.531 5.001 -6.978 545 1HD1 LEU 72 1HD1 LEU 72 1.622 2.738 -5.574 546 2HD1 LEU 72 3HD1 LEU 72 3.205 2.290 -6.208 547 3HD1 LEU 72 2HD1 LEU 72 3.035 3.722 -5.193 548 1HD2 LEU 72 3HD2 LEU 72 2.596 2.908 -9.040 549 2HD2 LEU 72 2HD2 LEU 72 3.627 4.325 -8.848 550 3HD2 LEU 72 1HD2 LEU 72 3.976 2.851 -7.944 551 H GLY 73 H GLY 73 -1.519 6.329 -6.953 552 1HA GLY 73 2HA GLY 73 -3.647 6.340 -8.753 553 2HA GLY 73 1HA GLY 73 -3.728 4.756 -7.973 554 H LYS 74 H LYS 74 -5.784 6.632 -7.628 555 HA LYS 74 HA LYS 74 -5.396 7.380 -4.755 556 1HB LYS 74 2HB LYS 74 -7.040 8.833 -6.854 557 2HB LYS 74 1HB LYS 74 -6.949 9.270 -5.147 558 1HG LYS 74 2HG LYS 74 -4.334 9.246 -5.643 559 2HG LYS 74 1HG LYS 74 -4.884 9.559 -7.290 560 1HD LYS 74 2HD LYS 74 -6.408 11.231 -5.564 561 2HD LYS 74 1HD LYS 74 -4.717 11.395 -5.090 562 1HE LYS 74 2HE LYS 74 -4.404 11.491 -7.756 563 2HE LYS 74 1HE LYS 74 -6.046 12.126 -7.654 564 1HZ LYS 74 1HZ LYS 74 -4.691 13.392 -5.648 565 2HZ LYS 74 3HZ LYS 74 -3.578 13.363 -6.929 566 3HZ LYS 74 2HZ LYS 74 -5.112 14.060 -7.152 567 H LEU 75 H LEU 75 -7.157 6.929 -3.377 568 HA LEU 75 HA LEU 75 -9.072 4.947 -4.457 569 1HB LEU 75 2HB LEU 75 -7.803 4.565 -2.302 570 2HB LEU 75 1HB LEU 75 -8.743 5.878 -1.592 571 HG LEU 75 HG LEU 75 -10.571 4.137 -2.915 572 1HD1 LEU 75 3HD1 LEU 75 -8.467 2.585 -2.490 573 2HD1 LEU 75 2HD1 LEU 75 -9.069 2.588 -0.831 574 3HD1 LEU 75 1HD1 LEU 75 -10.093 1.998 -2.141 575 1HD2 LEU 75 3HD2 LEU 75 -10.290 5.548 -0.505 576 2HD2 LEU 75 2HD2 LEU 75 -11.701 4.622 -1.020 577 3HD2 LEU 75 1HD2 LEU 75 -10.464 3.861 -0.020 578 H THR 76 H THR 76 -11.344 5.232 -4.317 579 HA THR 76 HA THR 76 -12.188 8.077 -3.983 580 HB THR 76 HB THR 76 -12.543 6.764 -6.195 581 HG1 THR 76 HG1 THR 76 -13.521 8.728 -5.821 582 1HG2 THR 76 1HG2 THR 76 -13.745 4.949 -4.525 583 2HG2 THR 76 3HG2 THR 76 -15.129 5.845 -5.148 584 3HG2 THR 76 2HG2 THR 76 -14.021 5.048 -6.264 585 H GLU 77 H GLU 77 -14.939 7.458 -3.822 586 HA GLU 77 HA GLU 77 -15.104 6.826 -0.958 587 1HB GLU 77 2HB GLU 77 -17.307 7.488 -2.937 588 2HB GLU 77 1HB GLU 77 -17.466 7.451 -1.181 589 1HG GLU 77 2HG GLU 77 -16.122 9.358 -0.890 590 2HG GLU 77 1HG GLU 77 -15.390 9.198 -2.488 591 H GLY 78 H GLY 78 -17.102 5.354 -0.352 592 1HA GLY 78 2HA GLY 78 -17.801 3.215 -2.154 593 2HA GLY 78 1HA GLY 78 -16.531 2.698 -1.045 594 H GLY 79 HN GLY 79 -19.542 2.078 -1.304 595 1HA GLY 79 2HA GLY 79 -20.920 1.200 0.466 596 2HA GLY 79 1HA GLY 79 -20.060 2.232 1.610 No H/Q in entry = 596 Start of MODEL 22 1 1H ALA 1 1H ALA 1 -11.018 9.375 2.099 2 2H ALA 1 3H ALA 1 -10.781 10.844 1.284 3 3H ALA 1 2H ALA 1 -12.111 9.861 0.893 4 HA ALA 1 HA ALA 1 -10.825 8.289 -0.192 5 1HB ALA 1 2HB ALA 1 -9.959 11.120 -0.652 6 2HB ALA 1 1HB ALA 1 -9.100 9.831 -1.496 7 3HB ALA 1 3HB ALA 1 -10.838 10.031 -1.726 8 H ILE 2 H ILE 2 -8.809 7.174 -0.447 9 HA ILE 2 HA ILE 2 -6.805 7.825 1.679 10 HB ILE 2 HB ILE 2 -7.275 5.089 0.477 11 1HG1 ILE 2 2HG1 ILE 2 -9.373 5.788 1.508 12 2HG1 ILE 2 1HG1 ILE 2 -8.579 4.620 2.565 13 1HG2 ILE 2 3HG2 ILE 2 -5.729 6.242 2.780 14 2HG2 ILE 2 2HG2 ILE 2 -6.310 4.580 2.874 15 3HG2 ILE 2 1HG2 ILE 2 -5.217 5.059 1.577 16 1HD1 ILE 2 2HD1 ILE 2 -8.243 7.609 2.892 17 2HD1 ILE 2 1HD1 ILE 2 -9.499 6.693 3.725 18 3HD1 ILE 2 3HD1 ILE 2 -7.800 6.342 4.035 19 H ASP 3 H ASP 3 -5.344 9.011 0.433 20 HA ASP 3 HA ASP 3 -4.605 8.428 -2.254 21 1HB ASP 3 2HB ASP 3 -4.108 10.560 -0.967 22 2HB ASP 3 1HB ASP 3 -2.802 9.678 -0.165 23 H ILE 4 H ILE 4 -3.130 6.995 -3.111 24 HA ILE 4 HA ILE 4 -1.680 5.256 -1.156 25 HB ILE 4 HB ILE 4 -2.656 4.610 -3.955 26 1HG1 ILE 4 2HG1 ILE 4 -3.540 3.403 -1.325 27 2HG1 ILE 4 1HG1 ILE 4 -4.357 4.793 -2.041 28 1HG2 ILE 4 3HG2 ILE 4 -0.477 3.534 -2.717 29 2HG2 ILE 4 2HG2 ILE 4 -1.753 2.476 -2.115 30 3HG2 ILE 4 1HG2 ILE 4 -1.496 2.648 -3.851 31 1HD1 ILE 4 3HD1 ILE 4 -4.078 2.963 -4.147 32 2HD1 ILE 4 2HD1 ILE 4 -4.555 1.986 -2.759 33 3HD1 ILE 4 1HD1 ILE 4 -5.562 3.341 -3.272 34 H LYS 5 H LYS 5 0.491 5.549 -1.181 35 HA LYS 5 HA LYS 5 1.745 6.462 -3.741 36 1HB LYS 5 2HB LYS 5 2.730 7.135 -0.956 37 2HB LYS 5 1HB LYS 5 3.291 7.813 -2.486 38 1HG LYS 5 2HG LYS 5 0.890 8.637 -2.831 39 2HG LYS 5 1HG LYS 5 0.622 8.239 -1.133 40 1HD LYS 5 2HD LYS 5 1.291 10.442 -0.913 41 2HD LYS 5 1HD LYS 5 2.860 9.642 -0.814 42 1HE LYS 5 2HE LYS 5 3.491 10.306 -2.934 43 2HE LYS 5 1HE LYS 5 1.831 10.355 -3.527 44 1HZ LYS 5 1HZ LYS 5 2.318 12.231 -1.418 45 2HZ LYS 5 3HZ LYS 5 3.312 12.503 -2.765 46 3HZ LYS 5 2HZ LYS 5 1.622 12.477 -2.949 47 H ALA 6 H ALA 6 4.285 6.022 -3.494 48 HA ALA 6 HA ALA 6 4.509 3.125 -3.054 49 1HB ALA 6 2HB ALA 6 6.105 5.237 -4.392 50 2HB ALA 6 1HB ALA 6 7.031 3.910 -3.690 51 3HB ALA 6 3HB ALA 6 5.786 3.577 -4.896 52 HA PRO 7 HA PRO 7 6.498 3.318 0.852 53 1HB PRO 7 2HB PRO 7 8.283 1.239 0.624 54 2HB PRO 7 1HB PRO 7 6.537 1.013 0.828 55 1HG PRO 7 2HG PRO 7 8.201 0.665 -1.623 56 2HG PRO 7 1HG PRO 7 6.669 -0.110 -1.188 57 1HD PRO 7 2HD PRO 7 6.983 2.045 -2.999 58 2HD PRO 7 1HD PRO 7 5.447 1.479 -2.302 59 H THR 8 H THR 8 7.915 4.942 1.394 60 HA THR 8 HA THR 8 9.998 5.949 -0.213 61 HB THR 8 HB THR 8 9.367 7.339 1.574 62 HG1 THR 8 HG1 THR 8 11.719 6.966 1.324 63 1HG2 THR 8 3HG2 THR 8 9.291 4.777 3.042 64 2HG2 THR 8 2HG2 THR 8 9.827 6.162 3.994 65 3HG2 THR 8 1HG2 THR 8 8.255 6.197 3.197 66 H PHE 9 H PHE 9 12.119 5.349 -0.531 67 HA PHE 9 HA PHE 9 12.957 2.769 0.668 68 1HB PHE 9 2HB PHE 9 14.442 4.348 -1.439 69 2HB PHE 9 1HB PHE 9 14.546 2.618 -1.098 70 HD1 PHE 9 HD2 PHE 9 12.259 1.296 -1.288 71 HD2 PHE 9 HD1 PHE 9 13.066 5.068 -3.182 72 HE1 PHE 9 HE2 PHE 9 10.442 0.863 -2.922 73 HE2 PHE 9 HE1 PHE 9 11.249 4.635 -4.817 74 HZ PHE 9 HZ PHE 9 9.938 2.532 -4.687 75 HA PRO 10 HA PRO 10 15.845 4.687 3.360 76 1HB PRO 10 2HB PRO 10 17.657 2.631 3.584 77 2HB PRO 10 1HB PRO 10 16.069 2.627 4.371 78 1HG PRO 10 2HG PRO 10 16.980 1.102 1.975 79 2HG PRO 10 1HG PRO 10 15.709 0.703 3.142 80 1HD PRO 10 2HD PRO 10 15.307 1.773 0.550 81 2HD PRO 10 1HD PRO 10 14.090 1.679 1.844 82 H GLU 11 H GLU 11 18.446 4.834 3.531 83 HA GLU 11 HA GLU 11 19.351 6.263 1.233 84 1HB GLU 11 2HB GLU 11 21.489 6.380 2.347 85 2HB GLU 11 1HB GLU 11 20.243 6.495 3.590 86 1HG GLU 11 2HG GLU 11 20.467 4.028 3.968 87 2HG GLU 11 1HG GLU 11 21.819 4.019 2.834 88 H SER 12 H SER 12 20.036 2.946 2.348 89 HA SER 12 HA SER 12 21.956 2.107 0.566 90 1HB SER 12 2HB SER 12 20.123 0.833 2.229 91 2HB SER 12 1HB SER 12 19.750 0.191 0.627 92 HG SER 12 HG SER 12 21.535 -0.784 2.018 93 H ILE 13 H ILE 13 18.531 1.447 -0.210 94 HA ILE 13 HA ILE 13 19.213 1.638 -3.082 95 HB ILE 13 HB ILE 13 16.513 0.987 -1.882 96 1HG1 ILE 13 2HG1 ILE 13 17.801 -1.392 -2.656 97 2HG1 ILE 13 1HG1 ILE 13 19.000 -0.502 -1.715 98 1HG2 ILE 13 2HG2 ILE 13 17.825 0.813 -4.553 99 2HG2 ILE 13 1HG2 ILE 13 16.735 -0.500 -4.109 100 3HG2 ILE 13 3HG2 ILE 13 16.145 1.161 -4.146 101 1HD1 ILE 13 2HD1 ILE 13 16.836 -0.100 -0.155 102 2HD1 ILE 13 1HD1 ILE 13 16.396 -1.656 -0.859 103 3HD1 ILE 13 3HD1 ILE 13 17.904 -1.490 0.040 104 H ALA 14 H ALA 14 17.582 2.843 -4.495 105 HA ALA 14 HA ALA 14 16.377 5.186 -3.119 106 1HB ALA 14 2HB ALA 14 18.777 5.239 -4.751 107 2HB ALA 14 1HB ALA 14 17.505 6.224 -5.475 108 3HB ALA 14 3HB ALA 14 18.035 6.543 -3.824 109 H ASP 15 H ASP 15 14.994 3.002 -4.179 110 HA ASP 15 HA ASP 15 13.032 4.159 -5.793 111 1HB ASP 15 2HB ASP 15 13.729 2.904 -8.008 112 2HB ASP 15 1HB ASP 15 14.381 4.505 -7.660 113 H GLY 16 H GLY 16 12.120 2.130 -7.378 114 1HA GLY 16 2HA GLY 16 12.446 -0.488 -6.185 115 2HA GLY 16 1HA GLY 16 10.959 0.288 -5.638 116 H THR 17 H THR 17 10.099 -1.702 -6.876 117 HA THR 17 HA THR 17 9.319 -0.779 -9.572 118 HB THR 17 HB THR 17 10.498 -3.540 -9.148 119 HG1 THR 17 HG1 THR 17 12.333 -2.616 -9.479 120 1HG2 THR 17 1HG2 THR 17 8.691 -2.868 -10.989 121 2HG2 THR 17 3HG2 THR 17 10.120 -2.234 -11.807 122 3HG2 THR 17 2HG2 THR 17 10.036 -3.941 -11.372 123 H VAL 18 H VAL 18 7.160 -1.130 -9.782 124 HA VAL 18 HA VAL 18 5.534 -2.267 -7.798 125 HB VAL 18 HB VAL 18 4.915 -2.270 -10.767 126 1HG1 VAL 18 2HG1 VAL 18 3.313 -2.455 -8.230 127 2HG1 VAL 18 1HG1 VAL 18 2.590 -1.734 -9.667 128 3HG1 VAL 18 3HG1 VAL 18 3.162 -3.401 -9.711 129 1HG2 VAL 18 2HG2 VAL 18 5.687 -0.077 -9.260 130 2HG2 VAL 18 1HG2 VAL 18 4.704 -0.012 -10.722 131 3HG2 VAL 18 3HG2 VAL 18 3.929 -0.035 -9.139 132 H ALA 19 H ALA 19 4.121 -4.298 -8.150 133 HA ALA 19 HA ALA 19 5.892 -6.513 -9.103 134 1HB ALA 19 2HB ALA 19 3.757 -6.518 -6.948 135 2HB ALA 19 1HB ALA 19 4.659 -7.939 -7.473 136 3HB ALA 19 3HB ALA 19 5.500 -6.603 -6.688 137 H THR 20 H THR 20 2.409 -6.376 -8.337 138 HA THR 20 HA THR 20 1.684 -6.716 -11.157 139 HB THR 20 HB THR 20 1.376 -8.976 -9.161 140 HG1 THR 20 HG1 THR 20 2.343 -9.194 -11.774 141 1HG2 THR 20 1HG2 THR 20 0.117 -8.585 -11.889 142 2HG2 THR 20 3HG2 THR 20 0.131 -10.114 -11.010 143 3HG2 THR 20 2HG2 THR 20 -0.728 -8.724 -10.347 144 H TRP 21 H TRP 21 -0.354 -5.886 -11.462 145 HA TRP 21 HA TRP 21 -1.831 -4.990 -9.080 146 1HB TRP 21 2HB TRP 21 -1.818 -4.372 -11.999 147 2HB TRP 21 1HB TRP 21 -3.320 -4.115 -11.117 148 HD1 TRP 21 HD1 TRP 21 0.126 -2.704 -11.611 149 HE1 TRP 21 HE1 TRP 21 0.390 -0.556 -10.200 150 HE3 TRP 21 HE3 TRP 21 -4.119 -2.961 -8.780 151 HZ2 TRP 21 HZ2 TRP 21 -0.987 0.849 -8.174 152 HZ3 TRP 21 HZ3 TRP 21 -4.620 -1.194 -7.109 153 HH2 TRP 21 HH2 TRP 21 -3.059 0.713 -6.802 154 H HIS 22 H HIS 22 -2.559 -7.121 -8.380 155 HA HIS 22 HA HIS 22 -3.866 -9.098 -9.827 156 1HB HIS 22 2HB HIS 22 -5.241 -8.221 -7.313 157 2HB HIS 22 1HB HIS 22 -4.812 -9.849 -7.846 158 HD1 HIS 22 HD1 HIS 22 -3.306 -6.745 -6.330 159 HD2 HIS 22 HD2 HIS 22 -2.244 -10.709 -7.052 160 HE1 HIS 22 HE1 HIS 22 -1.071 -7.095 -5.227 161 H LYS 23 H LYS 23 -5.748 -6.527 -8.189 162 HA LYS 23 HA LYS 23 -7.905 -6.915 -10.168 163 1HB LYS 23 2HB LYS 23 -7.794 -4.968 -7.847 164 2HB LYS 23 1HB LYS 23 -9.228 -5.489 -8.731 165 1HG LYS 23 2HG LYS 23 -8.402 -7.899 -7.993 166 2HG LYS 23 1HG LYS 23 -7.598 -6.986 -6.715 167 1HD LYS 23 2HD LYS 23 -9.636 -7.305 -5.689 168 2HD LYS 23 1HD LYS 23 -10.002 -5.819 -6.567 169 1HE LYS 23 2HE LYS 23 -11.533 -6.866 -7.847 170 2HE LYS 23 1HE LYS 23 -10.393 -8.147 -8.258 171 1HZ LYS 23 1HZ LYS 23 -10.871 -9.015 -5.932 172 2HZ LYS 23 3HZ LYS 23 -12.217 -7.983 -5.939 173 3HZ LYS 23 2HZ LYS 23 -12.086 -9.217 -7.101 174 H LYS 24 H LYS 24 -8.964 -4.451 -10.532 175 HA LYS 24 HA LYS 24 -6.733 -2.775 -11.600 176 1HB LYS 24 2HB LYS 24 -8.547 -2.291 -13.485 177 2HB LYS 24 1HB LYS 24 -7.461 -3.675 -13.610 178 1HG LYS 24 2HG LYS 24 -9.167 -5.138 -12.635 179 2HG LYS 24 1HG LYS 24 -10.250 -3.762 -12.420 180 1HD LYS 24 2HD LYS 24 -10.901 -3.805 -14.585 181 2HD LYS 24 1HD LYS 24 -9.243 -3.986 -15.160 182 1HE LYS 24 2HE LYS 24 -9.513 -6.204 -15.452 183 2HE LYS 24 1HE LYS 24 -10.135 -6.397 -13.813 184 1HZ LYS 24 1HZ LYS 24 -11.862 -5.193 -15.857 185 2HZ LYS 24 3HZ LYS 24 -11.642 -6.875 -15.866 186 3HZ LYS 24 2HZ LYS 24 -12.283 -6.111 -14.490 187 HA PRO 25 HA PRO 25 -8.924 0.611 -9.880 188 1HB PRO 25 2HB PRO 25 -8.361 2.586 -11.708 189 2HB PRO 25 1HB PRO 25 -7.178 1.960 -10.546 190 1HG PRO 25 2HG PRO 25 -7.384 1.445 -13.479 191 2HG PRO 25 1HG PRO 25 -5.956 1.410 -12.432 192 1HD PRO 25 2HD PRO 25 -7.367 -0.851 -13.364 193 2HD PRO 25 1HD PRO 25 -6.180 -0.839 -12.043 194 H GLY 26 H GLY 26 -11.155 0.174 -10.034 195 1HA GLY 26 2HA GLY 26 -12.960 1.683 -11.337 196 2HA GLY 26 1HA GLY 26 -12.526 0.553 -12.625 197 H GLU 27 H GLU 27 -12.049 -1.455 -10.283 198 HA GLU 27 HA GLU 27 -14.836 -2.456 -10.307 199 1HB GLU 27 2HB GLU 27 -12.320 -3.778 -9.243 200 2HB GLU 27 1HB GLU 27 -13.880 -4.555 -9.517 201 1HG GLU 27 2HG GLU 27 -12.543 -3.132 -11.794 202 2HG GLU 27 1HG GLU 27 -11.983 -4.741 -11.339 203 H ALA 28 H ALA 28 -15.278 -3.723 -8.051 204 HA ALA 28 HA ALA 28 -15.274 -1.584 -6.022 205 1HB ALA 28 1HB ALA 28 -17.285 -3.075 -6.582 206 2HB ALA 28 3HB ALA 28 -16.434 -4.361 -5.728 207 3HB ALA 28 2HB ALA 28 -16.901 -2.892 -4.871 208 H VAL 29 H VAL 29 -14.581 -2.065 -3.783 209 HA VAL 29 HA VAL 29 -12.648 -4.303 -3.521 210 HB VAL 29 HB VAL 29 -11.970 -1.400 -2.954 211 1HG1 VAL 29 3HG1 VAL 29 -10.353 -3.945 -2.616 212 2HG1 VAL 29 2HG1 VAL 29 -9.734 -2.309 -2.388 213 3HG1 VAL 29 1HG1 VAL 29 -10.981 -2.939 -1.310 214 1HG2 VAL 29 3HG2 VAL 29 -10.885 -3.363 -5.001 215 2HG2 VAL 29 2HG2 VAL 29 -11.917 -1.977 -5.355 216 3HG2 VAL 29 1HG2 VAL 29 -10.285 -1.726 -4.736 217 H LYS 30 H LYS 30 -12.150 -4.777 -1.262 218 HA LYS 30 HA LYS 30 -13.875 -3.398 0.732 219 1HB LYS 30 2HB LYS 30 -14.982 -5.518 -0.227 220 2HB LYS 30 1HB LYS 30 -13.719 -6.413 0.618 221 1HG LYS 30 2HG LYS 30 -14.412 -5.073 2.708 222 2HG LYS 30 1HG LYS 30 -15.861 -4.642 1.798 223 1HD LYS 30 2HD LYS 30 -16.072 -7.200 1.363 224 2HD LYS 30 1HD LYS 30 -14.958 -7.364 2.720 225 1HE LYS 30 2HE LYS 30 -16.472 -6.191 4.194 226 2HE LYS 30 1HE LYS 30 -17.533 -5.774 2.848 227 1HZ LYS 30 1HZ LYS 30 -17.222 -8.516 2.763 228 2HZ LYS 30 3HZ LYS 30 -17.470 -8.143 4.398 229 3HZ LYS 30 2HZ LYS 30 -18.608 -7.655 3.236 230 H ARG 31 H ARG 31 -12.944 -3.327 2.785 231 HA ARG 31 HA ARG 31 -10.220 -3.391 3.162 232 1HB ARG 31 2HB ARG 31 -12.138 -2.732 4.808 233 2HB ARG 31 1HB ARG 31 -11.997 -4.398 5.371 234 1HG ARG 31 2HG ARG 31 -9.354 -3.470 5.179 235 2HG ARG 31 1HG ARG 31 -10.257 -2.140 5.904 236 1HD ARG 31 2HD ARG 31 -10.009 -4.981 6.896 237 2HD ARG 31 1HD ARG 31 -9.590 -3.491 7.741 238 HE ARG 31 HE ARG 31 -12.335 -3.305 7.211 239 1HH1 ARG 31 1HH2 ARG 31 -10.462 -3.900 9.784 240 2HH1 ARG 31 2HH2 ARG 31 -11.484 -5.066 10.556 241 1HH2 ARG 31 2HH1 ARG 31 -13.546 -5.474 7.799 242 2HH2 ARG 31 1HH1 ARG 31 -13.231 -5.957 9.432 243 H ASP 32 H ASP 32 -8.711 -4.956 3.982 244 HA ASP 32 HA ASP 32 -7.801 -7.106 4.244 245 1HB ASP 32 2HB ASP 32 -9.972 -7.348 5.654 246 2HB ASP 32 1HB ASP 32 -10.600 -8.224 4.258 247 H GLU 33 H GLU 33 -8.181 -6.020 1.641 248 HA GLU 33 HA GLU 33 -8.434 -8.555 0.105 249 1HB GLU 33 2HB GLU 33 -10.583 -7.244 -0.057 250 2HB GLU 33 1HB GLU 33 -9.662 -5.939 -0.807 251 1HG GLU 33 2HG GLU 33 -9.700 -6.985 -2.799 252 2HG GLU 33 1HG GLU 33 -9.032 -8.453 -2.084 253 H LEU 34 H LEU 34 -6.400 -8.773 -0.712 254 HA LEU 34 HA LEU 34 -4.395 -6.910 -0.986 255 1HB LEU 34 2HB LEU 34 -4.133 -9.328 -1.488 256 2HB LEU 34 1HB LEU 34 -5.006 -9.090 -3.002 257 HG LEU 34 HG LEU 34 -3.290 -7.500 -3.759 258 1HD1 LEU 34 2HD1 LEU 34 -2.622 -7.520 -0.966 259 2HD1 LEU 34 1HD1 LEU 34 -1.206 -8.018 -1.891 260 3HD1 LEU 34 3HD1 LEU 34 -1.987 -6.475 -2.237 261 1HD2 LEU 34 1HD2 LEU 34 -2.387 -10.221 -2.807 262 2HD2 LEU 34 3HD2 LEU 34 -2.836 -9.727 -4.439 263 3HD2 LEU 34 2HD2 LEU 34 -1.317 -9.171 -3.735 264 H ILE 35 H ILE 35 -3.565 -5.788 -2.982 265 HA ILE 35 HA ILE 35 -5.652 -5.088 -4.961 266 HB ILE 35 HB ILE 35 -4.267 -3.060 -3.183 267 1HG1 ILE 35 2HG1 ILE 35 -7.176 -3.827 -3.588 268 2HG1 ILE 35 1HG1 ILE 35 -6.213 -4.097 -2.134 269 1HG2 ILE 35 3HG2 ILE 35 -4.902 -2.759 -5.861 270 2HG2 ILE 35 2HG2 ILE 35 -6.328 -2.118 -5.045 271 3HG2 ILE 35 1HG2 ILE 35 -4.735 -1.443 -4.699 272 1HD1 ILE 35 3HD1 ILE 35 -5.867 -1.582 -2.030 273 2HD1 ILE 35 2HD1 ILE 35 -7.083 -1.442 -3.299 274 3HD1 ILE 35 1HD1 ILE 35 -7.519 -2.122 -1.732 275 H VAL 36 H VAL 36 -2.307 -4.561 -3.842 276 HA VAL 36 HA VAL 36 -1.320 -5.095 -6.545 277 HB VAL 36 HB VAL 36 -1.933 -2.698 -6.696 278 1HG1 VAL 36 2HG1 VAL 36 -1.628 -2.255 -4.237 279 2HG1 VAL 36 1HG1 VAL 36 0.115 -2.303 -4.496 280 3HG1 VAL 36 3HG1 VAL 36 -0.859 -1.056 -5.275 281 1HG2 VAL 36 3HG2 VAL 36 0.712 -3.833 -7.075 282 2HG2 VAL 36 2HG2 VAL 36 -0.163 -2.692 -8.096 283 3HG2 VAL 36 1HG2 VAL 36 0.814 -2.102 -6.751 284 H ASP 37 H ASP 37 0.747 -5.919 -6.426 285 HA ASP 37 HA ASP 37 1.960 -6.056 -3.723 286 1HB ASP 37 2HB ASP 37 2.181 -7.646 -6.246 287 2HB ASP 37 1HB ASP 37 3.573 -7.623 -5.161 288 H ILE 38 H ILE 38 4.367 -5.748 -3.584 289 HA ILE 38 HA ILE 38 5.349 -3.764 -5.594 290 HB ILE 38 HB ILE 38 5.922 -3.605 -2.626 291 1HG1 ILE 38 2HG1 ILE 38 3.900 -1.969 -4.185 292 2HG1 ILE 38 1HG1 ILE 38 3.460 -3.350 -3.180 293 1HG2 ILE 38 1HG2 ILE 38 7.479 -2.504 -4.267 294 2HG2 ILE 38 3HG2 ILE 38 6.119 -1.532 -4.830 295 3HG2 ILE 38 2HG2 ILE 38 6.691 -1.371 -3.170 296 1HD1 ILE 38 2HD1 ILE 38 5.191 -1.242 -1.961 297 2HD1 ILE 38 1HD1 ILE 38 3.483 -0.866 -2.197 298 3HD1 ILE 38 3HD1 ILE 38 3.953 -2.251 -1.210 299 H GLU 39 H GLU 39 7.709 -3.696 -5.767 300 HA GLU 39 HA GLU 39 9.037 -6.149 -4.686 301 1HB GLU 39 2HB GLU 39 8.536 -5.459 -7.420 302 2HB GLU 39 1HB GLU 39 10.275 -5.369 -7.137 303 1HG GLU 39 2HG GLU 39 8.794 -7.713 -6.018 304 2HG GLU 39 1HG GLU 39 9.101 -7.680 -7.754 305 H THR 40 H THR 40 11.005 -5.770 -3.735 306 HA THR 40 HA THR 40 12.206 -3.059 -4.128 307 HB THR 40 HB THR 40 11.056 -3.516 -1.866 308 HG1 THR 40 HG1 THR 40 12.536 -1.855 -2.107 309 1HG2 THR 40 1HG2 THR 40 12.177 -5.876 -1.843 310 2HG2 THR 40 3HG2 THR 40 13.581 -5.012 -1.217 311 3HG2 THR 40 2HG2 THR 40 12.056 -4.974 -0.333 312 H ASP 41 H ASP 41 14.556 -3.526 -2.656 313 HA ASP 41 HA ASP 41 16.337 -4.591 -4.456 314 1HB ASP 41 2HB ASP 41 16.947 -3.476 -2.298 315 2HB ASP 41 1HB ASP 41 16.558 -4.977 -1.458 316 H LYS 42 H LYS 42 15.353 -6.525 -1.607 317 HA LYS 42 HA LYS 42 15.060 -8.883 -3.394 318 1HB LYS 42 2HB LYS 42 16.976 -8.611 -1.081 319 2HB LYS 42 1HB LYS 42 16.353 -10.190 -1.561 320 1HG LYS 42 2HG LYS 42 17.507 -10.197 -3.547 321 2HG LYS 42 1HG LYS 42 17.395 -8.446 -3.737 322 1HD LYS 42 2HD LYS 42 19.446 -8.184 -2.852 323 2HD LYS 42 1HD LYS 42 18.952 -9.043 -1.392 324 1HE LYS 42 2HE LYS 42 20.636 -10.447 -2.157 325 2HE LYS 42 1HE LYS 42 19.232 -11.175 -2.937 326 1HZ LYS 42 1HZ LYS 42 19.915 -9.299 -4.714 327 2HZ LYS 42 3HZ LYS 42 21.441 -9.711 -4.099 328 3HZ LYS 42 2HZ LYS 42 20.450 -10.910 -4.782 329 H VAL 43 H VAL 43 12.938 -7.529 -2.288 330 HA VAL 43 HA VAL 43 11.821 -9.581 -0.508 331 HB VAL 43 HB VAL 43 12.156 -6.702 0.384 332 1HG1 VAL 43 3HG1 VAL 43 10.438 -8.954 1.445 333 2HG1 VAL 43 2HG1 VAL 43 10.915 -7.580 2.442 334 3HG1 VAL 43 1HG1 VAL 43 9.934 -7.324 0.999 335 1HG2 VAL 43 1HG2 VAL 43 13.164 -9.378 1.374 336 2HG2 VAL 43 3HG2 VAL 43 14.112 -7.962 0.917 337 3HG2 VAL 43 2HG2 VAL 43 13.154 -7.942 2.398 338 H VAL 44 H VAL 44 9.840 -9.951 -1.367 339 HA VAL 44 HA VAL 44 8.550 -7.845 -2.989 340 HB VAL 44 HB VAL 44 7.779 -10.731 -2.454 341 1HG1 VAL 44 2HG1 VAL 44 6.364 -8.488 -3.701 342 2HG1 VAL 44 1HG1 VAL 44 6.524 -9.877 -4.774 343 3HG1 VAL 44 3HG1 VAL 44 5.748 -10.063 -3.201 344 1HG2 VAL 44 1HG2 VAL 44 9.826 -9.713 -4.020 345 2HG2 VAL 44 3HG2 VAL 44 9.056 -11.284 -4.246 346 3HG2 VAL 44 2HG2 VAL 44 8.503 -9.888 -5.171 347 H MET 45 H MET 45 7.178 -6.451 -2.003 348 HA MET 45 HA MET 45 5.916 -7.256 0.563 349 1HB MET 45 2HB MET 45 6.186 -4.584 -0.841 350 2HB MET 45 1HB MET 45 5.266 -4.812 0.646 351 1HG MET 45 2HG MET 45 7.698 -6.060 1.177 352 2HG MET 45 1HG MET 45 8.154 -4.616 0.272 353 1HE MET 45 2HE MET 45 6.287 -6.254 2.876 354 2HE MET 45 1HE MET 45 7.457 -5.685 4.064 355 3HE MET 45 3HE MET 45 5.797 -5.075 4.091 356 H GLU 46 H GLU 46 3.605 -5.818 0.590 357 HA GLU 46 HA GLU 46 2.102 -6.406 -1.887 358 1HB GLU 46 2HB GLU 46 0.339 -7.604 -0.453 359 2HB GLU 46 1HB GLU 46 1.814 -8.506 -0.801 360 1HG GLU 46 2HG GLU 46 2.702 -7.508 1.422 361 2HG GLU 46 1HG GLU 46 1.010 -7.144 1.764 362 H VAL 47 H VAL 47 -0.077 -5.421 -1.818 363 HA VAL 47 HA VAL 47 -0.344 -3.330 0.301 364 HB VAL 47 HB VAL 47 -0.811 -2.962 -2.674 365 1HG1 VAL 47 2HG1 VAL 47 -1.179 -1.130 -0.289 366 2HG1 VAL 47 1HG1 VAL 47 -1.131 -0.554 -1.955 367 3HG1 VAL 47 3HG1 VAL 47 -2.412 -1.650 -1.438 368 1HG2 VAL 47 1HG2 VAL 47 1.536 -2.716 -1.043 369 2HG2 VAL 47 3HG2 VAL 47 1.355 -2.350 -2.759 370 3HG2 VAL 47 2HG2 VAL 47 1.038 -1.104 -1.552 371 H LEU 48 H LEU 48 -2.141 -4.005 1.393 372 HA LEU 48 HA LEU 48 -4.383 -5.222 -0.117 373 1HB LEU 48 2HB LEU 48 -3.319 -5.530 2.514 374 2HB LEU 48 1HB LEU 48 -4.969 -4.926 2.670 375 HG LEU 48 HG LEU 48 -5.332 -6.779 0.726 376 1HD1 LEU 48 3HD1 LEU 48 -2.736 -7.278 1.420 377 2HD1 LEU 48 2HD1 LEU 48 -3.592 -8.372 2.506 378 3HD1 LEU 48 1HD1 LEU 48 -3.831 -8.494 0.764 379 1HD2 LEU 48 3HD2 LEU 48 -6.398 -6.430 3.075 380 2HD2 LEU 48 2HD2 LEU 48 -6.425 -8.052 2.384 381 3HD2 LEU 48 1HD2 LEU 48 -5.232 -7.639 3.615 382 H ALA 49 H ALA 49 -6.645 -4.455 0.704 383 HA ALA 49 HA ALA 49 -6.821 -1.599 0.162 384 1HB ALA 49 3HB ALA 49 -8.531 -3.292 -0.585 385 2HB ALA 49 2HB ALA 49 -9.012 -3.473 1.102 386 3HB ALA 49 1HB ALA 49 -9.221 -1.923 0.286 387 H GLU 50 H GLU 50 -7.102 0.041 1.639 388 HA GLU 50 HA GLU 50 -6.906 -0.708 4.505 389 1HB GLU 50 2HB GLU 50 -5.881 1.430 2.893 390 2HB GLU 50 1HB GLU 50 -6.906 2.120 4.152 391 1HG GLU 50 2HG GLU 50 -5.167 -0.042 5.119 392 2HG GLU 50 1HG GLU 50 -4.279 1.351 4.499 393 H ALA 51 H ALA 51 -9.385 -0.472 2.502 394 HA ALA 51 HA ALA 51 -11.418 -0.172 4.364 395 1HB ALA 51 1HB ALA 51 -10.270 2.438 3.510 396 2HB ALA 51 3HB ALA 51 -12.030 2.332 3.566 397 3HB ALA 51 2HB ALA 51 -11.080 2.004 5.015 398 H ASP 52 H ASP 52 -13.399 -0.503 3.351 399 HA ASP 52 HA ASP 52 -13.470 -1.336 0.660 400 1HB ASP 52 2HB ASP 52 -15.305 -2.109 1.810 401 2HB ASP 52 1HB ASP 52 -15.524 -0.608 2.703 402 H GLY 53 H GLY 53 -14.935 -0.258 -1.040 403 1HA GLY 53 2HA GLY 53 -15.760 2.201 -1.517 404 2HA GLY 53 1HA GLY 53 -14.047 2.574 -1.296 405 H VAL 54 H VAL 54 -13.960 3.290 -3.532 406 HA VAL 54 HA VAL 54 -13.718 0.994 -5.423 407 HB VAL 54 HB VAL 54 -15.119 3.635 -5.908 408 1HG1 VAL 54 3HG1 VAL 54 -13.650 1.884 -7.741 409 2HG1 VAL 54 2HG1 VAL 54 -15.331 2.119 -8.221 410 3HG1 VAL 54 1HG1 VAL 54 -14.273 3.513 -8.004 411 1HG2 VAL 54 2HG2 VAL 54 -15.987 1.013 -5.200 412 2HG2 VAL 54 1HG2 VAL 54 -16.985 2.409 -5.605 413 3HG2 VAL 54 3HG2 VAL 54 -16.472 1.295 -6.872 414 H ILE 55 H ILE 55 -11.766 1.012 -6.440 415 HA ILE 55 HA ILE 55 -9.730 2.881 -5.839 416 HB ILE 55 HB ILE 55 -9.970 1.173 -8.335 417 1HG1 ILE 55 2HG1 ILE 55 -10.241 0.002 -6.075 418 2HG1 ILE 55 1HG1 ILE 55 -8.925 -0.584 -7.093 419 1HG2 ILE 55 2HG2 ILE 55 -7.716 2.645 -6.983 420 2HG2 ILE 55 1HG2 ILE 55 -7.391 1.219 -7.967 421 3HG2 ILE 55 3HG2 ILE 55 -8.159 2.633 -8.689 422 1HD1 ILE 55 1HD1 ILE 55 -8.594 1.475 -4.892 423 2HD1 ILE 55 3HD1 ILE 55 -8.240 -0.244 -4.708 424 3HD1 ILE 55 2HD1 ILE 55 -7.306 0.733 -5.842 425 H ALA 56 H ALA 56 -8.712 4.470 -7.307 426 HA ALA 56 HA ALA 56 -10.788 5.929 -8.860 427 1HB ALA 56 2HB ALA 56 -8.089 6.785 -7.776 428 2HB ALA 56 1HB ALA 56 -9.127 7.817 -8.761 429 3HB ALA 56 3HB ALA 56 -9.674 7.271 -7.176 430 H GLU 57 H GLU 57 -7.250 5.452 -9.200 431 HA GLU 57 HA GLU 57 -7.459 4.224 -11.794 432 1HB GLU 57 2HB GLU 57 -8.186 6.623 -12.270 433 2HB GLU 57 1HB GLU 57 -6.539 7.106 -11.865 434 1HG GLU 57 2HG GLU 57 -5.652 6.183 -13.765 435 2HG GLU 57 1HG GLU 57 -6.818 4.859 -13.790 436 H ILE 58 H ILE 58 -5.526 3.215 -12.175 437 HA ILE 58 HA ILE 58 -3.277 3.851 -10.361 438 HB ILE 58 HB ILE 58 -3.584 1.610 -12.385 439 1HG1 ILE 58 2HG1 ILE 58 -5.277 1.350 -10.692 440 2HG1 ILE 58 1HG1 ILE 58 -3.963 0.247 -10.270 441 1HG2 ILE 58 2HG2 ILE 58 -1.239 2.275 -11.680 442 2HG2 ILE 58 1HG2 ILE 58 -1.690 1.838 -10.033 443 3HG2 ILE 58 3HG2 ILE 58 -1.684 0.612 -11.300 444 1HD1 ILE 58 1HD1 ILE 58 -3.049 2.063 -8.763 445 2HD1 ILE 58 3HD1 ILE 58 -4.534 2.966 -9.062 446 3HD1 ILE 58 2HD1 ILE 58 -4.603 1.401 -8.252 447 H VAL 59 H VAL 59 -1.590 5.079 -11.044 448 HA VAL 59 HA VAL 59 -1.437 5.819 -13.900 449 HB VAL 59 HB VAL 59 0.285 6.768 -11.592 450 1HG1 VAL 59 1HG1 VAL 59 1.059 7.101 -14.002 451 2HG1 VAL 59 3HG1 VAL 59 -0.356 8.132 -14.216 452 3HG1 VAL 59 2HG1 VAL 59 0.888 8.573 -13.045 453 1HG2 VAL 59 2HG2 VAL 59 -2.477 7.439 -12.435 454 2HG2 VAL 59 1HG2 VAL 59 -1.703 7.634 -10.864 455 3HG2 VAL 59 3HG2 VAL 59 -1.421 8.819 -12.139 456 H LYS 60 H LYS 60 0.518 4.173 -11.433 457 HA LYS 60 HA LYS 60 2.575 3.549 -13.478 458 1HB LYS 60 2HB LYS 60 2.564 3.872 -10.618 459 2HB LYS 60 1HB LYS 60 3.157 2.260 -11.016 460 1HG LYS 60 2HG LYS 60 5.072 3.700 -11.043 461 2HG LYS 60 1HG LYS 60 4.675 3.375 -12.731 462 1HD LYS 60 2HD LYS 60 3.132 5.578 -12.249 463 2HD LYS 60 1HD LYS 60 4.523 5.906 -11.213 464 1HE LYS 60 2HE LYS 60 5.815 6.394 -12.992 465 2HE LYS 60 1HE LYS 60 5.385 4.878 -13.782 466 1HZ LYS 60 3HZ LYS 60 3.369 6.989 -13.732 467 2HZ LYS 60 2HZ LYS 60 4.698 7.209 -14.768 468 3HZ LYS 60 1HZ LYS 60 3.705 5.839 -14.933 469 H ASN 61 H ASN 61 2.587 1.604 -14.509 470 HA ASN 61 HA ASN 61 0.566 -0.404 -13.746 471 1HB ASN 61 2HB ASN 61 2.514 -0.229 -16.063 472 2HB ASN 61 1HB ASN 61 1.383 -1.562 -15.832 473 1HD2 ASN 61 2HD2 ASN 61 0.063 1.827 -17.532 474 2HD2 ASN 61 1HD2 ASN 61 1.717 1.494 -17.278 475 H GLU 62 H GLU 62 1.163 -2.657 -13.379 476 HA GLU 62 HA GLU 62 3.383 -2.967 -11.592 477 1HB GLU 62 2HB GLU 62 2.871 -5.461 -11.914 478 2HB GLU 62 1HB GLU 62 1.550 -4.462 -11.304 479 1HG GLU 62 2HG GLU 62 0.286 -5.089 -13.054 480 2HG GLU 62 1HG GLU 62 1.456 -4.342 -14.148 481 H GLY 63 H GLY 63 5.426 -3.885 -11.939 482 1HA GLY 63 2HA GLY 63 7.089 -5.041 -13.263 483 2HA GLY 63 1HA GLY 63 6.104 -4.749 -14.702 484 H ASP 64 H ASP 64 5.829 -1.874 -13.433 485 HA ASP 64 HA ASP 64 8.173 -0.822 -14.900 486 1HB ASP 64 2HB ASP 64 6.364 0.419 -15.587 487 2HB ASP 64 1HB ASP 64 5.517 0.254 -14.050 488 H THR 65 H THR 65 9.202 1.184 -13.843 489 HA THR 65 HA THR 65 9.925 0.432 -11.056 490 HB THR 65 HB THR 65 11.249 2.241 -13.096 491 HG1 THR 65 HG1 THR 65 12.593 0.609 -13.322 492 1HG2 THR 65 3HG2 THR 65 11.398 2.312 -10.229 493 2HG2 THR 65 2HG2 THR 65 12.939 1.742 -10.871 494 3HG2 THR 65 1HG2 THR 65 12.281 3.291 -11.401 495 H VAL 66 H VAL 66 9.562 1.827 -9.337 496 HA VAL 66 HA VAL 66 8.074 4.340 -9.989 497 HB VAL 66 HB VAL 66 6.872 4.079 -7.919 498 1HG1 VAL 66 1HG1 VAL 66 6.214 2.639 -9.905 499 2HG1 VAL 66 3HG1 VAL 66 7.070 1.309 -9.127 500 3HG1 VAL 66 2HG1 VAL 66 5.672 2.040 -8.339 501 1HG2 VAL 66 2HG2 VAL 66 9.172 2.410 -7.268 502 2HG2 VAL 66 1HG2 VAL 66 8.014 3.184 -6.185 503 3HG2 VAL 66 3HG2 VAL 66 7.654 1.602 -6.876 504 H LEU 67 H LEU 67 8.211 5.450 -7.390 505 HA LEU 67 HA LEU 67 11.097 5.640 -6.750 506 1HB LEU 67 2HB LEU 67 9.497 7.729 -8.106 507 2HB LEU 67 1HB LEU 67 10.449 8.288 -6.730 508 HG LEU 67 HG LEU 67 11.930 6.449 -8.465 509 1HD1 LEU 67 3HD1 LEU 67 10.940 9.097 -9.567 510 2HD1 LEU 67 2HD1 LEU 67 12.246 8.145 -10.274 511 3HD1 LEU 67 1HD1 LEU 67 10.606 7.496 -10.227 512 1HD2 LEU 67 1HD2 LEU 67 12.302 8.864 -6.847 513 2HD2 LEU 67 3HD2 LEU 67 13.449 7.579 -7.219 514 3HD2 LEU 67 2HD2 LEU 67 13.216 8.909 -8.354 515 H SER 68 H SER 68 11.356 7.157 -4.772 516 HA SER 68 HA SER 68 9.562 6.246 -2.706 517 1HB SER 68 2HB SER 68 11.759 6.698 -1.974 518 2HB SER 68 1HB SER 68 11.815 8.247 -2.809 519 HG SER 68 HG SER 68 11.425 8.762 -0.728 520 H GLY 69 H GLY 69 7.464 6.971 -2.812 521 1HA GLY 69 2HA GLY 69 5.928 8.733 -2.108 522 2HA GLY 69 1HA GLY 69 7.071 9.924 -2.730 523 H GLU 70 H GLU 70 6.769 7.276 -4.818 524 HA GLU 70 HA GLU 70 5.522 8.902 -6.866 525 1HB GLU 70 2HB GLU 70 7.187 7.073 -7.317 526 2HB GLU 70 1HB GLU 70 5.950 5.900 -6.863 527 1HG GLU 70 2HG GLU 70 5.817 6.064 -9.237 528 2HG GLU 70 1HG GLU 70 4.461 7.013 -8.627 529 H LEU 71 H LEU 71 3.368 9.176 -7.184 530 HA LEU 71 HA LEU 71 1.439 7.784 -5.514 531 1HB LEU 71 2HB LEU 71 1.090 10.124 -6.226 532 2HB LEU 71 1HB LEU 71 1.007 9.599 -7.907 533 HG LEU 71 HG LEU 71 -0.794 7.998 -6.341 534 1HD1 LEU 71 3HD1 LEU 71 -0.591 10.198 -4.935 535 2HD1 LEU 71 2HD1 LEU 71 -1.535 10.912 -6.242 536 3HD1 LEU 71 1HD1 LEU 71 -2.195 9.568 -5.310 537 1HD2 LEU 71 1HD2 LEU 71 -0.742 8.726 -8.845 538 2HD2 LEU 71 3HD2 LEU 71 -2.309 8.586 -8.047 539 3HD2 LEU 71 2HD2 LEU 71 -1.573 10.173 -8.278 540 H LEU 72 H LEU 72 0.622 5.801 -5.959 541 HA LEU 72 HA LEU 72 0.902 4.729 -8.712 542 1HB LEU 72 2HB LEU 72 -0.156 3.185 -6.352 543 2HB LEU 72 1HB LEU 72 0.702 2.582 -7.770 544 HG LEU 72 HG LEU 72 1.976 4.431 -5.739 545 1HD1 LEU 72 2HD1 LEU 72 1.174 1.830 -5.232 546 2HD1 LEU 72 1HD1 LEU 72 2.843 1.629 -5.764 547 3HD1 LEU 72 3HD1 LEU 72 2.474 2.677 -4.395 548 1HD2 LEU 72 1HD2 LEU 72 2.813 4.035 -8.208 549 2HD2 LEU 72 3HD2 LEU 72 3.973 4.014 -6.879 550 3HD2 LEU 72 2HD2 LEU 72 3.384 2.497 -7.559 551 H GLY 73 H GLY 73 -1.494 5.913 -6.498 552 1HA GLY 73 2HA GLY 73 -3.532 6.240 -8.375 553 2HA GLY 73 1HA GLY 73 -3.778 4.619 -7.718 554 H LYS 74 H LYS 74 -5.799 6.294 -7.206 555 HA LYS 74 HA LYS 74 -5.373 7.061 -4.347 556 1HB LYS 74 2HB LYS 74 -6.363 8.657 -6.596 557 2HB LYS 74 1HB LYS 74 -7.478 8.640 -5.229 558 1HG LYS 74 2HG LYS 74 -5.756 9.410 -3.722 559 2HG LYS 74 1HG LYS 74 -4.517 9.225 -4.965 560 1HD LYS 74 2HD LYS 74 -6.886 11.013 -5.455 561 2HD LYS 74 1HD LYS 74 -5.512 11.602 -4.520 562 1HE LYS 74 2HE LYS 74 -4.445 10.286 -6.795 563 2HE LYS 74 1HE LYS 74 -5.749 11.323 -7.373 564 1HZ LYS 74 1HZ LYS 74 -3.716 12.304 -5.466 565 2HZ LYS 74 3HZ LYS 74 -3.454 12.352 -7.140 566 3HZ LYS 74 2HZ LYS 74 -4.756 13.207 -6.461 567 H LEU 75 H LEU 75 -6.898 6.252 -2.944 568 HA LEU 75 HA LEU 75 -8.932 4.437 -4.084 569 1HB LEU 75 2HB LEU 75 -7.474 3.768 -2.137 570 2HB LEU 75 1HB LEU 75 -8.304 4.988 -1.169 571 HG LEU 75 HG LEU 75 -10.301 3.451 -2.500 572 1HD1 LEU 75 3HD1 LEU 75 -7.921 1.920 -1.775 573 2HD1 LEU 75 2HD1 LEU 75 -9.360 1.354 -0.925 574 3HD1 LEU 75 1HD1 LEU 75 -9.343 1.413 -2.688 575 1HD2 LEU 75 1HD2 LEU 75 -10.102 4.668 -0.161 576 2HD2 LEU 75 3HD2 LEU 75 -11.166 3.273 -0.343 577 3HD2 LEU 75 2HD2 LEU 75 -9.573 3.077 0.389 578 H THR 76 H THR 76 -11.132 4.828 -3.989 579 HA THR 76 HA THR 76 -11.934 7.548 -3.105 580 HB THR 76 HB THR 76 -13.643 5.528 -4.570 581 HG1 THR 76 HG1 THR 76 -12.922 6.796 -6.434 582 1HG2 THR 76 3HG2 THR 76 -13.723 8.490 -4.049 583 2HG2 THR 76 2HG2 THR 76 -14.551 7.808 -5.450 584 3HG2 THR 76 1HG2 THR 76 -14.997 7.292 -3.823 585 H GLU 77 H GLU 77 -14.227 7.606 -2.082 586 HA GLU 77 HA GLU 77 -14.176 5.800 0.238 587 1HB GLU 77 2HB GLU 77 -16.166 7.986 -0.442 588 2HB GLU 77 1HB GLU 77 -15.928 7.227 1.133 589 1HG GLU 77 2HG GLU 77 -14.529 8.975 1.526 590 2HG GLU 77 1HG GLU 77 -13.384 8.059 0.545 591 H GLY 78 H GLY 78 -16.822 6.810 -1.962 592 1HA GLY 78 2HA GLY 78 -17.847 4.828 -3.252 593 2HA GLY 78 1HA GLY 78 -17.930 4.048 -1.671 594 H GLY 79 HN GLY 79 -19.732 5.772 -3.855 595 1HA GLY 79 2HA GLY 79 -21.982 6.481 -3.621 596 2HA GLY 79 1HA GLY 79 -21.847 6.228 -1.880 No H/Q in entry = 596 Start of MODEL 23 1 1H ALA 1 2H ALA 1 -8.617 9.841 0.574 2 2H ALA 1 1H ALA 1 -9.558 8.897 -0.479 3 3H ALA 1 3H ALA 1 -10.296 10.087 0.477 4 HA ALA 1 HA ALA 1 -10.101 8.877 2.417 5 1HB ALA 1 1HB ALA 1 -11.527 7.825 0.460 6 2HB ALA 1 3HB ALA 1 -10.293 6.565 0.511 7 3HB ALA 1 2HB ALA 1 -11.260 6.911 1.945 8 H ILE 2 H ILE 2 -8.303 6.936 -0.008 9 HA ILE 2 HA ILE 2 -6.136 6.634 2.022 10 HB ILE 2 HB ILE 2 -7.148 4.389 0.254 11 1HG1 ILE 2 2HG1 ILE 2 -7.575 4.768 3.234 12 2HG1 ILE 2 1HG1 ILE 2 -8.798 5.135 2.017 13 1HG2 ILE 2 1HG2 ILE 2 -5.064 4.655 2.418 14 2HG2 ILE 2 3HG2 ILE 2 -5.801 3.093 2.061 15 3HG2 ILE 2 2HG2 ILE 2 -4.898 3.949 0.811 16 1HD1 ILE 2 2HD1 ILE 2 -7.915 2.575 1.339 17 2HD1 ILE 2 1HD1 ILE 2 -7.994 2.550 3.101 18 3HD1 ILE 2 3HD1 ILE 2 -9.425 2.971 2.160 19 H ASP 3 H ASP 3 -4.595 7.875 0.989 20 HA ASP 3 HA ASP 3 -4.263 7.842 -1.902 21 1HB ASP 3 2HB ASP 3 -3.665 9.856 -0.702 22 2HB ASP 3 1HB ASP 3 -2.552 8.959 0.337 23 H ILE 4 H ILE 4 -3.301 6.189 -2.969 24 HA ILE 4 HA ILE 4 -1.463 4.397 -1.478 25 HB ILE 4 HB ILE 4 -2.324 3.991 -4.334 26 1HG1 ILE 4 2HG1 ILE 4 -3.939 3.510 -1.816 27 2HG1 ILE 4 1HG1 ILE 4 -4.413 4.444 -3.236 28 1HG2 ILE 4 3HG2 ILE 4 -0.775 2.558 -2.489 29 2HG2 ILE 4 2HG2 ILE 4 -2.326 1.718 -2.520 30 3HG2 ILE 4 1HG2 ILE 4 -1.419 1.950 -4.015 31 1HD1 ILE 4 3HD1 ILE 4 -4.004 2.169 -4.501 32 2HD1 ILE 4 2HD1 ILE 4 -4.237 1.468 -2.899 33 3HD1 ILE 4 1HD1 ILE 4 -5.517 2.432 -3.634 34 H LYS 5 H LYS 5 0.520 5.463 -1.438 35 HA LYS 5 HA LYS 5 1.665 6.192 -4.106 36 1HB LYS 5 2HB LYS 5 1.262 7.985 -2.182 37 2HB LYS 5 1HB LYS 5 2.779 7.325 -1.568 38 1HG LYS 5 2HG LYS 5 4.000 8.257 -3.238 39 2HG LYS 5 1HG LYS 5 2.796 7.855 -4.464 40 1HD LYS 5 2HD LYS 5 2.758 10.218 -4.380 41 2HD LYS 5 1HD LYS 5 1.372 9.735 -3.401 42 1HE LYS 5 2HE LYS 5 2.685 9.999 -1.354 43 2HE LYS 5 1HE LYS 5 4.119 10.400 -2.300 44 1HZ LYS 5 1HZ LYS 5 2.660 12.239 -3.275 45 2HZ LYS 5 3HZ LYS 5 1.646 11.971 -1.942 46 3HZ LYS 5 2HZ LYS 5 3.259 12.451 -1.699 47 H ALA 6 H ALA 6 4.082 5.911 -4.196 48 HA ALA 6 HA ALA 6 4.823 3.268 -3.358 49 1HB ALA 6 1HB ALA 6 6.149 5.548 -4.728 50 2HB ALA 6 3HB ALA 6 7.218 4.393 -3.931 51 3HB ALA 6 2HB ALA 6 6.097 3.843 -5.176 52 HA PRO 7 HA PRO 7 6.479 4.003 0.637 53 1HB PRO 7 2HB PRO 7 8.473 2.110 0.685 54 2HB PRO 7 1HB PRO 7 6.750 1.720 0.814 55 1HG PRO 7 2HG PRO 7 8.588 1.351 -1.505 56 2HG PRO 7 1HG PRO 7 7.116 0.459 -1.087 57 1HD PRO 7 2HD PRO 7 7.327 2.483 -3.057 58 2HD PRO 7 1HD PRO 7 5.814 1.816 -2.399 59 H THR 8 H THR 8 7.874 5.563 1.393 60 HA THR 8 HA THR 8 9.788 6.872 -0.226 61 HB THR 8 HB THR 8 8.861 7.886 1.816 62 HG1 THR 8 HG1 THR 8 11.040 8.384 0.996 63 1HG2 THR 8 3HG2 THR 8 9.549 5.398 2.950 64 2HG2 THR 8 2HG2 THR 8 10.575 6.592 3.746 65 3HG2 THR 8 1HG2 THR 8 8.822 6.779 3.771 66 H PHE 9 H PHE 9 11.560 5.888 -1.084 67 HA PHE 9 HA PHE 9 12.803 3.581 0.154 68 1HB PHE 9 2HB PHE 9 13.961 5.322 -2.036 69 2HB PHE 9 1HB PHE 9 14.328 3.625 -1.704 70 HD1 PHE 9 HD1 PHE 9 11.909 2.232 -1.410 71 HD2 PHE 9 HD2 PHE 9 12.694 5.595 -3.968 72 HE1 PHE 9 HE1 PHE 9 10.047 1.537 -2.895 73 HE2 PHE 9 HE2 PHE 9 10.832 4.900 -5.452 74 HZ PHE 9 HZ PHE 9 9.508 2.870 -4.916 75 HA PRO 10 HA PRO 10 15.410 6.058 2.792 76 1HB PRO 10 2HB PRO 10 16.667 3.926 3.988 77 2HB PRO 10 1HB PRO 10 15.044 4.481 4.434 78 1HG PRO 10 2HG PRO 10 15.838 2.073 2.865 79 2HG PRO 10 1HG PRO 10 14.386 2.347 3.842 80 1HD PRO 10 2HD PRO 10 14.539 2.488 1.016 81 2HD PRO 10 1HD PRO 10 13.192 3.065 2.024 82 H GLU 11 H GLU 11 18.001 5.143 3.492 83 HA GLU 11 HA GLU 11 19.477 5.823 1.086 84 1HB GLU 11 2HB GLU 11 20.479 4.771 3.752 85 2HB GLU 11 1HB GLU 11 21.472 5.514 2.497 86 1HG GLU 11 2HG GLU 11 19.239 7.234 3.076 87 2HG GLU 11 1HG GLU 11 20.062 6.823 4.581 88 H SER 12 H SER 12 19.419 2.873 3.123 89 HA SER 12 HA SER 12 21.035 1.193 1.662 90 1HB SER 12 2HB SER 12 19.724 0.585 3.735 91 2HB SER 12 1HB SER 12 18.314 0.355 2.699 92 HG SER 12 HG SER 12 19.478 -1.593 3.050 93 H ILE 13 H ILE 13 17.618 1.927 0.936 94 HA ILE 13 HA ILE 13 17.831 0.426 -1.604 95 HB ILE 13 HB ILE 13 15.465 2.036 -0.623 96 1HG1 ILE 13 2HG1 ILE 13 16.176 -0.855 -0.021 97 2HG1 ILE 13 1HG1 ILE 13 16.148 0.463 1.152 98 1HG2 ILE 13 1HG2 ILE 13 16.045 0.169 -2.823 99 2HG2 ILE 13 3HG2 ILE 13 14.579 -0.224 -1.925 100 3HG2 ILE 13 2HG2 ILE 13 14.756 1.364 -2.672 101 1HD1 ILE 13 3HD1 ILE 13 13.659 0.686 0.020 102 2HD1 ILE 13 2HD1 ILE 13 13.909 -1.060 -0.013 103 3HD1 ILE 13 1HD1 ILE 13 14.001 -0.185 1.516 104 H ALA 14 H ALA 14 17.104 1.547 -3.635 105 HA ALA 14 HA ALA 14 17.522 4.486 -3.615 106 1HB ALA 14 3HB ALA 14 19.078 2.565 -5.376 107 2HB ALA 14 2HB ALA 14 19.127 4.324 -5.492 108 3HB ALA 14 1HB ALA 14 19.746 3.518 -4.050 109 H ASP 15 H ASP 15 15.460 2.191 -4.302 110 HA ASP 15 HA ASP 15 13.902 3.616 -6.153 111 1HB ASP 15 2HB ASP 15 14.347 1.935 -8.147 112 2HB ASP 15 1HB ASP 15 15.353 3.371 -7.954 113 H GLY 16 H GLY 16 12.514 1.742 -7.520 114 1HA GLY 16 2HA GLY 16 12.127 -0.707 -5.995 115 2HA GLY 16 1HA GLY 16 10.858 0.481 -5.695 116 H THR 17 H THR 17 10.021 -1.817 -6.837 117 HA THR 17 HA THR 17 9.236 -0.911 -9.539 118 HB THR 17 HB THR 17 10.556 -3.591 -9.013 119 HG1 THR 17 HG1 THR 17 11.989 -2.731 -10.647 120 1HG2 THR 17 2HG2 THR 17 8.550 -3.564 -10.595 121 2HG2 THR 17 1HG2 THR 17 9.517 -2.525 -11.643 122 3HG2 THR 17 3HG2 THR 17 10.064 -4.161 -11.275 123 H VAL 18 H VAL 18 7.071 -1.230 -9.718 124 HA VAL 18 HA VAL 18 5.437 -2.337 -7.735 125 HB VAL 18 HB VAL 18 4.840 -2.396 -10.708 126 1HG1 VAL 18 3HG1 VAL 18 3.219 -2.573 -8.184 127 2HG1 VAL 18 2HG1 VAL 18 2.501 -1.859 -9.628 128 3HG1 VAL 18 1HG1 VAL 18 3.082 -3.524 -9.663 129 1HG2 VAL 18 1HG2 VAL 18 5.522 -0.178 -9.122 130 2HG2 VAL 18 3HG2 VAL 18 4.726 -0.141 -10.695 131 3HG2 VAL 18 2HG2 VAL 18 3.761 -0.147 -9.218 132 H ALA 19 H ALA 19 4.030 -4.375 -8.031 133 HA ALA 19 HA ALA 19 5.802 -6.614 -8.919 134 1HB ALA 19 3HB ALA 19 4.780 -6.193 -6.415 135 2HB ALA 19 2HB ALA 19 3.547 -7.240 -7.117 136 3HB ALA 19 1HB ALA 19 5.225 -7.778 -7.048 137 H THR 20 H THR 20 2.302 -6.382 -8.234 138 HA THR 20 HA THR 20 1.627 -6.823 -11.048 139 HB THR 20 HB THR 20 1.179 -9.008 -8.992 140 HG1 THR 20 HG1 THR 20 3.039 -9.544 -9.813 141 1HG2 THR 20 1HG2 THR 20 -0.571 -8.295 -10.975 142 2HG2 THR 20 3HG2 THR 20 0.448 -9.466 -11.811 143 3HG2 THR 20 2HG2 THR 20 -0.402 -9.931 -10.337 144 H TRP 21 H TRP 21 -0.355 -5.906 -11.407 145 HA TRP 21 HA TRP 21 -1.893 -4.983 -9.075 146 1HB TRP 21 2HB TRP 21 -1.757 -4.351 -11.988 147 2HB TRP 21 1HB TRP 21 -3.283 -4.059 -11.161 148 HD1 TRP 21 HD1 TRP 21 0.229 -2.757 -11.496 149 HE1 TRP 21 HE1 TRP 21 0.495 -0.621 -10.067 150 HE3 TRP 21 HE3 TRP 21 -4.155 -2.874 -8.874 151 HZ2 TRP 21 HZ2 TRP 21 -0.930 0.827 -8.105 152 HZ3 TRP 21 HZ3 TRP 21 -4.677 -1.094 -7.223 153 HH2 TRP 21 HH2 TRP 21 -3.069 0.757 -6.835 154 H HIS 22 H HIS 22 -2.676 -7.107 -8.422 155 HA HIS 22 HA HIS 22 -3.980 -9.047 -9.914 156 1HB HIS 22 2HB HIS 22 -5.435 -8.166 -7.452 157 2HB HIS 22 1HB HIS 22 -4.982 -9.794 -7.966 158 HD1 HIS 22 HD1 HIS 22 -3.541 -6.683 -6.397 159 HD2 HIS 22 HD2 HIS 22 -2.452 -10.651 -7.059 160 HE1 HIS 22 HE1 HIS 22 -1.354 -7.030 -5.200 161 H LYS 23 H LYS 23 -5.821 -6.384 -8.370 162 HA LYS 23 HA LYS 23 -7.906 -6.736 -10.450 163 1HB LYS 23 2HB LYS 23 -7.791 -5.544 -7.723 164 2HB LYS 23 1HB LYS 23 -8.914 -4.806 -8.866 165 1HG LYS 23 2HG LYS 23 -10.182 -6.510 -7.817 166 2HG LYS 23 1HG LYS 23 -9.703 -7.209 -9.364 167 1HD LYS 23 2HD LYS 23 -8.250 -8.702 -8.398 168 2HD LYS 23 1HD LYS 23 -7.829 -7.601 -7.085 169 1HE LYS 23 2HE LYS 23 -10.130 -7.982 -6.130 170 2HE LYS 23 1HE LYS 23 -10.371 -9.228 -7.356 171 1HZ LYS 23 2HZ LYS 23 -7.909 -9.722 -6.185 172 2HZ LYS 23 1HZ LYS 23 -8.981 -9.403 -4.907 173 3HZ LYS 23 3HZ LYS 23 -9.333 -10.633 -6.019 174 H LYS 24 H LYS 24 -8.957 -4.267 -10.760 175 HA LYS 24 HA LYS 24 -6.681 -2.529 -11.616 176 1HB LYS 24 2HB LYS 24 -8.795 -3.768 -13.252 177 2HB LYS 24 1HB LYS 24 -8.612 -2.032 -13.508 178 1HG LYS 24 2HG LYS 24 -6.625 -2.291 -14.555 179 2HG LYS 24 1HG LYS 24 -6.042 -3.424 -13.335 180 1HD LYS 24 2HD LYS 24 -6.491 -5.182 -14.668 181 2HD LYS 24 1HD LYS 24 -8.152 -4.636 -14.901 182 1HE LYS 24 2HE LYS 24 -5.724 -3.674 -16.441 183 2HE LYS 24 1HE LYS 24 -7.003 -4.716 -17.061 184 1HZ LYS 24 1HZ LYS 24 -8.434 -2.676 -16.146 185 2HZ LYS 24 3HZ LYS 24 -7.015 -1.853 -16.575 186 3HZ LYS 24 2HZ LYS 24 -7.853 -2.764 -17.740 187 HA PRO 25 HA PRO 25 -8.990 0.794 -9.927 188 1HB PRO 25 2HB PRO 25 -8.484 2.803 -11.735 189 2HB PRO 25 1HB PRO 25 -7.284 2.205 -10.574 190 1HG PRO 25 2HG PRO 25 -7.469 1.703 -13.512 191 2HG PRO 25 1HG PRO 25 -6.041 1.718 -12.465 192 1HD PRO 25 2HD PRO 25 -7.353 -0.594 -13.408 193 2HD PRO 25 1HD PRO 25 -6.185 -0.539 -12.072 194 H GLY 26 H GLY 26 -11.145 1.365 -9.960 195 1HA GLY 26 2HA GLY 26 -13.015 2.400 -11.255 196 2HA GLY 26 1HA GLY 26 -12.535 1.374 -12.612 197 H GLU 27 H GLU 27 -12.030 -0.686 -10.243 198 HA GLU 27 HA GLU 27 -14.769 -1.816 -10.439 199 1HB GLU 27 2HB GLU 27 -12.283 -3.138 -9.321 200 2HB GLU 27 1HB GLU 27 -13.778 -3.922 -9.831 201 1HG GLU 27 2HG GLU 27 -11.949 -2.358 -11.675 202 2HG GLU 27 1HG GLU 27 -11.954 -4.116 -11.530 203 H ALA 28 H ALA 28 -15.089 -3.284 -8.228 204 HA ALA 28 HA ALA 28 -15.267 -1.234 -6.104 205 1HB ALA 28 2HB ALA 28 -17.121 -2.960 -6.871 206 2HB ALA 28 1HB ALA 28 -16.267 -4.041 -5.771 207 3HB ALA 28 3HB ALA 28 -16.954 -2.533 -5.168 208 H VAL 29 H VAL 29 -14.848 -2.160 -3.789 209 HA VAL 29 HA VAL 29 -12.542 -4.035 -3.769 210 HB VAL 29 HB VAL 29 -12.416 -1.473 -2.186 211 1HG1 VAL 29 3HG1 VAL 29 -10.847 -3.817 -2.392 212 2HG1 VAL 29 2HG1 VAL 29 -9.936 -2.544 -3.203 213 3HG1 VAL 29 1HG1 VAL 29 -10.443 -2.334 -1.528 214 1HG2 VAL 29 2HG2 VAL 29 -11.586 -1.956 -5.059 215 2HG2 VAL 29 1HG2 VAL 29 -12.618 -0.669 -4.435 216 3HG2 VAL 29 3HG2 VAL 29 -10.891 -0.669 -4.073 217 H LYS 30 H LYS 30 -12.187 -4.982 -1.646 218 HA LYS 30 HA LYS 30 -14.420 -4.524 0.285 219 1HB LYS 30 2HB LYS 30 -13.722 -6.968 -1.177 220 2HB LYS 30 1HB LYS 30 -13.791 -7.207 0.569 221 1HG LYS 30 2HG LYS 30 -15.988 -5.584 -0.577 222 2HG LYS 30 1HG LYS 30 -15.982 -7.287 -1.038 223 1HD LYS 30 2HD LYS 30 -15.393 -7.132 1.754 224 2HD LYS 30 1HD LYS 30 -16.818 -6.141 1.442 225 1HE LYS 30 2HE LYS 30 -16.713 -8.799 0.104 226 2HE LYS 30 1HE LYS 30 -16.982 -8.793 1.846 227 1HZ LYS 30 1HZ LYS 30 -18.606 -6.814 0.918 228 2HZ LYS 30 3HZ LYS 30 -18.746 -8.020 -0.268 229 3HZ LYS 30 2HZ LYS 30 -19.096 -8.382 1.355 230 H ARG 31 H ARG 31 -13.666 -4.169 2.321 231 HA ARG 31 HA ARG 31 -11.040 -3.798 3.051 232 1HB ARG 31 2HB ARG 31 -12.891 -3.232 4.544 233 2HB ARG 31 1HB ARG 31 -13.244 -4.942 4.790 234 1HG ARG 31 2HG ARG 31 -11.095 -5.291 5.861 235 2HG ARG 31 1HG ARG 31 -10.596 -3.641 5.486 236 1HD ARG 31 2HD ARG 31 -11.861 -2.731 7.161 237 2HD ARG 31 1HD ARG 31 -13.149 -3.921 6.975 238 HE ARG 31 HE ARG 31 -11.188 -4.081 8.966 239 1HH1 ARG 31 2HH1 ARG 31 -13.348 -6.010 7.345 240 2HH1 ARG 31 1HH1 ARG 31 -12.532 -7.509 7.643 241 1HH2 ARG 31 1HH2 ARG 31 -9.682 -6.009 8.926 242 2HH2 ARG 31 2HH2 ARG 31 -10.456 -7.508 8.539 243 H ASP 32 H ASP 32 -9.302 -5.091 3.594 244 HA ASP 32 HA ASP 32 -8.085 -7.062 4.041 245 1HB ASP 32 2HB ASP 32 -10.350 -7.573 5.348 246 2HB ASP 32 1HB ASP 32 -10.566 -8.732 4.035 247 H GLU 33 H GLU 33 -8.841 -6.116 1.369 248 HA GLU 33 HA GLU 33 -8.728 -8.735 -0.074 249 1HB GLU 33 2HB GLU 33 -10.884 -7.443 -0.393 250 2HB GLU 33 1HB GLU 33 -9.927 -6.174 -1.159 251 1HG GLU 33 2HG GLU 33 -9.854 -7.321 -3.093 252 2HG GLU 33 1HG GLU 33 -9.225 -8.747 -2.270 253 H LEU 34 H LEU 34 -6.709 -8.964 -0.898 254 HA LEU 34 HA LEU 34 -4.662 -7.129 -1.030 255 1HB LEU 34 2HB LEU 34 -4.442 -9.542 -1.607 256 2HB LEU 34 1HB LEU 34 -5.229 -9.218 -3.153 257 HG LEU 34 HG LEU 34 -3.436 -7.661 -3.767 258 1HD1 LEU 34 3HD1 LEU 34 -2.307 -8.405 -1.051 259 2HD1 LEU 34 2HD1 LEU 34 -1.432 -7.495 -2.283 260 3HD1 LEU 34 1HD1 LEU 34 -2.882 -6.813 -1.547 261 1HD2 LEU 34 1HD2 LEU 34 -2.609 -10.410 -2.814 262 2HD2 LEU 34 3HD2 LEU 34 -3.001 -9.899 -4.456 263 3HD2 LEU 34 2HD2 LEU 34 -1.503 -9.358 -3.698 264 H ILE 35 H ILE 35 -3.871 -5.668 -2.654 265 HA ILE 35 HA ILE 35 -5.875 -4.924 -4.742 266 HB ILE 35 HB ILE 35 -4.336 -3.100 -2.877 267 1HG1 ILE 35 2HG1 ILE 35 -7.273 -3.587 -3.454 268 2HG1 ILE 35 1HG1 ILE 35 -6.420 -3.875 -1.937 269 1HG2 ILE 35 3HG2 ILE 35 -5.043 -2.677 -5.620 270 2HG2 ILE 35 2HG2 ILE 35 -6.080 -1.661 -4.618 271 3HG2 ILE 35 1HG2 ILE 35 -4.326 -1.530 -4.488 272 1HD1 ILE 35 1HD1 ILE 35 -5.937 -1.171 -2.632 273 2HD1 ILE 35 3HD1 ILE 35 -7.663 -1.449 -2.863 274 3HD1 ILE 35 2HD1 ILE 35 -6.918 -1.777 -1.299 275 H VAL 36 H VAL 36 -2.473 -4.593 -3.695 276 HA VAL 36 HA VAL 36 -1.550 -5.248 -6.383 277 HB VAL 36 HB VAL 36 -2.091 -2.886 -6.729 278 1HG1 VAL 36 2HG1 VAL 36 -1.948 -2.277 -4.294 279 2HG1 VAL 36 1HG1 VAL 36 -0.191 -2.325 -4.433 280 3HG1 VAL 36 3HG1 VAL 36 -1.117 -1.140 -5.356 281 1HG2 VAL 36 2HG2 VAL 36 0.862 -3.502 -6.424 282 2HG2 VAL 36 1HG2 VAL 36 -0.116 -3.648 -7.885 283 3HG2 VAL 36 3HG2 VAL 36 0.254 -2.054 -7.227 284 H ASP 37 H ASP 37 0.603 -5.934 -6.327 285 HA ASP 37 HA ASP 37 1.828 -6.008 -3.615 286 1HB ASP 37 2HB ASP 37 2.000 -7.731 -6.059 287 2HB ASP 37 1HB ASP 37 3.386 -7.683 -4.969 288 H ILE 38 H ILE 38 4.238 -5.727 -3.535 289 HA ILE 38 HA ILE 38 5.212 -3.876 -5.673 290 HB ILE 38 HB ILE 38 5.417 -3.567 -2.668 291 1HG1 ILE 38 2HG1 ILE 38 4.676 -1.353 -4.509 292 2HG1 ILE 38 1HG1 ILE 38 3.505 -2.663 -4.360 293 1HG2 ILE 38 2HG2 ILE 38 6.933 -2.154 -4.881 294 2HG2 ILE 38 1HG2 ILE 38 6.840 -1.562 -3.222 295 3HG2 ILE 38 3HG2 ILE 38 7.619 -3.107 -3.565 296 1HD1 ILE 38 1HD1 ILE 38 4.745 -1.350 -1.937 297 2HD1 ILE 38 3HD1 ILE 38 3.277 -0.724 -2.689 298 3HD1 ILE 38 2HD1 ILE 38 3.295 -2.353 -2.012 299 H GLU 39 H GLU 39 7.633 -3.757 -5.719 300 HA GLU 39 HA GLU 39 8.922 -6.195 -4.576 301 1HB GLU 39 2HB GLU 39 9.073 -5.202 -7.435 302 2HB GLU 39 1HB GLU 39 10.187 -6.391 -6.759 303 1HG GLU 39 2HG GLU 39 7.270 -6.888 -6.386 304 2HG GLU 39 1HG GLU 39 7.931 -7.125 -8.004 305 H THR 40 H THR 40 11.198 -5.946 -4.186 306 HA THR 40 HA THR 40 12.304 -3.214 -4.588 307 HB THR 40 HB THR 40 13.033 -4.339 -1.991 308 HG1 THR 40 HG1 THR 40 11.052 -4.169 -1.053 309 1HG2 THR 40 2HG2 THR 40 12.531 -1.799 -3.286 310 2HG2 THR 40 1HG2 THR 40 11.709 -1.873 -1.727 311 3HG2 THR 40 3HG2 THR 40 13.451 -2.136 -1.820 312 H ASP 41 H ASP 41 14.744 -3.388 -3.595 313 HA ASP 41 HA ASP 41 16.291 -4.876 -5.316 314 1HB ASP 41 2HB ASP 41 16.979 -3.204 -3.424 315 2HB ASP 41 1HB ASP 41 17.160 -4.661 -2.446 316 H LYS 42 H LYS 42 15.773 -5.969 -1.942 317 HA LYS 42 HA LYS 42 15.519 -8.749 -2.992 318 1HB LYS 42 2HB LYS 42 17.208 -7.967 -0.597 319 2HB LYS 42 1HB LYS 42 17.020 -9.587 -1.269 320 1HG LYS 42 2HG LYS 42 17.795 -8.005 -3.448 321 2HG LYS 42 1HG LYS 42 18.801 -7.448 -2.110 322 1HD LYS 42 2HD LYS 42 19.095 -10.033 -1.657 323 2HD LYS 42 1HD LYS 42 18.650 -10.170 -3.358 324 1HE LYS 42 2HE LYS 42 20.800 -9.712 -3.857 325 2HE LYS 42 1HE LYS 42 20.501 -8.071 -3.282 326 1HZ LYS 42 3HZ LYS 42 20.938 -9.925 -1.147 327 2HZ LYS 42 2HZ LYS 42 22.261 -9.850 -2.208 328 3HZ LYS 42 1HZ LYS 42 21.691 -8.438 -1.456 329 H VAL 43 H VAL 43 13.414 -7.031 -2.148 330 HA VAL 43 HA VAL 43 12.360 -8.652 0.081 331 HB VAL 43 HB VAL 43 12.717 -5.648 0.224 332 1HG1 VAL 43 2HG1 VAL 43 10.741 -7.470 1.523 333 2HG1 VAL 43 1HG1 VAL 43 11.475 -6.221 2.530 334 3HG1 VAL 43 3HG1 VAL 43 10.580 -5.771 1.079 335 1HG2 VAL 43 3HG2 VAL 43 13.557 -7.979 1.975 336 2HG2 VAL 43 2HG2 VAL 43 14.615 -6.902 1.063 337 3HG2 VAL 43 1HG2 VAL 43 13.716 -6.288 2.451 338 H VAL 44 H VAL 44 10.261 -9.125 -0.373 339 HA VAL 44 HA VAL 44 8.919 -7.554 -2.511 340 HB VAL 44 HB VAL 44 9.103 -10.084 -2.642 341 1HG1 VAL 44 3HG1 VAL 44 8.383 -10.039 -0.028 342 2HG1 VAL 44 2HG1 VAL 44 6.809 -10.311 -0.773 343 3HG1 VAL 44 1HG1 VAL 44 8.132 -11.437 -1.073 344 1HG2 VAL 44 1HG2 VAL 44 7.288 -8.544 -3.709 345 2HG2 VAL 44 3HG2 VAL 44 6.990 -10.282 -3.663 346 3HG2 VAL 44 2HG2 VAL 44 6.218 -9.223 -2.483 347 H MET 45 H MET 45 7.139 -6.305 -2.067 348 HA MET 45 HA MET 45 6.107 -6.393 0.741 349 1HB MET 45 2HB MET 45 6.515 -4.121 -1.198 350 2HB MET 45 1HB MET 45 5.350 -3.979 0.120 351 1HG MET 45 2HG MET 45 7.527 -4.995 1.435 352 2HG MET 45 1HG MET 45 8.299 -3.987 0.211 353 1HE MET 45 2HE MET 45 9.343 -2.592 1.378 354 2HE MET 45 1HE MET 45 8.545 -1.149 0.757 355 3HE MET 45 3HE MET 45 8.803 -1.343 2.497 356 H GLU 46 H GLU 46 3.773 -5.050 0.523 357 HA GLU 46 HA GLU 46 2.236 -6.040 -1.781 358 1HB GLU 46 2HB GLU 46 0.574 -7.122 -0.089 359 2HB GLU 46 1HB GLU 46 2.020 -8.027 -0.539 360 1HG GLU 46 2HG GLU 46 3.155 -7.364 1.483 361 2HG GLU 46 1HG GLU 46 1.866 -6.233 1.896 362 H VAL 47 H VAL 47 -0.073 -5.264 -1.624 363 HA VAL 47 HA VAL 47 -0.361 -2.936 0.220 364 HB VAL 47 HB VAL 47 -0.989 -2.929 -2.748 365 1HG1 VAL 47 2HG1 VAL 47 -2.497 -1.599 -1.157 366 2HG1 VAL 47 1HG1 VAL 47 -1.078 -0.613 -0.806 367 3HG1 VAL 47 3HG1 VAL 47 -1.721 -0.680 -2.447 368 1HG2 VAL 47 3HG2 VAL 47 1.452 -2.511 -1.400 369 2HG2 VAL 47 2HG2 VAL 47 1.083 -2.096 -3.075 370 3HG2 VAL 47 1HG2 VAL 47 0.851 -0.901 -1.797 371 H LEU 48 H LEU 48 -2.011 -3.737 1.480 372 HA LEU 48 HA LEU 48 -4.278 -5.126 0.171 373 1HB LEU 48 2HB LEU 48 -3.033 -5.233 2.757 374 2HB LEU 48 1HB LEU 48 -4.729 -4.793 2.961 375 HG LEU 48 HG LEU 48 -4.423 -7.253 2.957 376 1HD1 LEU 48 3HD1 LEU 48 -5.838 -6.138 0.515 377 2HD1 LEU 48 2HD1 LEU 48 -6.098 -7.747 1.189 378 3HD1 LEU 48 1HD1 LEU 48 -6.533 -6.318 2.126 379 1HD2 LEU 48 2HD2 LEU 48 -3.089 -6.591 0.349 380 2HD2 LEU 48 1HD2 LEU 48 -2.588 -7.729 1.600 381 3HD2 LEU 48 3HD2 LEU 48 -3.918 -8.138 0.517 382 H ALA 49 H ALA 49 -6.522 -4.441 0.934 383 HA ALA 49 HA ALA 49 -6.767 -1.533 0.576 384 1HB ALA 49 2HB ALA 49 -8.546 -3.888 0.395 385 2HB ALA 49 1HB ALA 49 -9.316 -2.423 1.004 386 3HB ALA 49 3HB ALA 49 -8.527 -2.414 -0.574 387 H GLU 50 H GLU 50 -7.303 -0.090 2.184 388 HA GLU 50 HA GLU 50 -7.412 -1.166 4.948 389 1HB GLU 50 2HB GLU 50 -6.326 1.196 3.720 390 2HB GLU 50 1HB GLU 50 -7.505 1.674 4.943 391 1HG GLU 50 2HG GLU 50 -6.189 -0.327 6.253 392 2HG GLU 50 1HG GLU 50 -4.886 0.346 5.273 393 H ALA 51 H ALA 51 -9.642 -0.773 2.689 394 HA ALA 51 HA ALA 51 -11.891 -0.754 4.326 395 1HB ALA 51 1HB ALA 51 -10.677 1.829 4.293 396 2HB ALA 51 3HB ALA 51 -12.192 1.938 3.395 397 3HB ALA 51 2HB ALA 51 -12.192 1.352 5.059 398 H ASP 52 H ASP 52 -13.754 -0.997 3.065 399 HA ASP 52 HA ASP 52 -13.442 -1.568 0.302 400 1HB ASP 52 2HB ASP 52 -15.319 -2.597 1.142 401 2HB ASP 52 1HB ASP 52 -15.754 -1.232 2.163 402 H GLY 53 H GLY 53 -14.803 -0.400 -1.426 403 1HA GLY 53 2HA GLY 53 -15.738 2.113 -1.594 404 2HA GLY 53 1HA GLY 53 -14.020 2.455 -1.363 405 H VAL 54 H VAL 54 -14.033 3.406 -3.532 406 HA VAL 54 HA VAL 54 -13.869 1.303 -5.651 407 HB VAL 54 HB VAL 54 -15.093 4.068 -5.816 408 1HG1 VAL 54 1HG1 VAL 54 -13.597 3.648 -7.759 409 2HG1 VAL 54 3HG1 VAL 54 -14.462 2.144 -8.076 410 3HG1 VAL 54 2HG1 VAL 54 -15.296 3.690 -8.231 411 1HG2 VAL 54 3HG2 VAL 54 -16.548 2.216 -5.040 412 2HG2 VAL 54 2HG2 VAL 54 -17.047 2.805 -6.625 413 3HG2 VAL 54 1HG2 VAL 54 -16.141 1.299 -6.490 414 H ILE 55 H ILE 55 -11.902 1.280 -6.631 415 HA ILE 55 HA ILE 55 -9.809 3.081 -5.870 416 HB ILE 55 HB ILE 55 -9.930 1.344 -8.352 417 1HG1 ILE 55 2HG1 ILE 55 -10.472 0.194 -6.129 418 2HG1 ILE 55 1HG1 ILE 55 -9.100 -0.462 -7.022 419 1HG2 ILE 55 2HG2 ILE 55 -7.803 2.842 -6.887 420 2HG2 ILE 55 1HG2 ILE 55 -7.374 1.271 -7.562 421 3HG2 ILE 55 3HG2 ILE 55 -7.981 2.549 -8.617 422 1HD1 ILE 55 2HD1 ILE 55 -8.881 1.569 -4.780 423 2HD1 ILE 55 1HD1 ILE 55 -8.606 -0.163 -4.595 424 3HD1 ILE 55 3HD1 ILE 55 -7.541 0.794 -5.625 425 H ALA 56 H ALA 56 -8.705 4.647 -7.259 426 HA ALA 56 HA ALA 56 -10.636 6.111 -8.972 427 1HB ALA 56 2HB ALA 56 -8.620 6.899 -7.138 428 2HB ALA 56 1HB ALA 56 -8.079 7.418 -8.734 429 3HB ALA 56 3HB ALA 56 -9.646 7.945 -8.119 430 H GLU 57 H GLU 57 -7.100 5.600 -9.205 431 HA GLU 57 HA GLU 57 -7.248 4.213 -11.724 432 1HB GLU 57 2HB GLU 57 -6.248 6.101 -13.096 433 2HB GLU 57 1HB GLU 57 -7.946 6.313 -12.667 434 1HG GLU 57 2HG GLU 57 -6.658 7.438 -10.507 435 2HG GLU 57 1HG GLU 57 -5.602 7.886 -11.848 436 H ILE 58 H ILE 58 -5.212 3.388 -12.255 437 HA ILE 58 HA ILE 58 -3.071 3.960 -10.284 438 HB ILE 58 HB ILE 58 -3.182 1.829 -12.439 439 1HG1 ILE 58 2HG1 ILE 58 -5.012 1.423 -10.934 440 2HG1 ILE 58 1HG1 ILE 58 -3.707 0.338 -10.439 441 1HG2 ILE 58 3HG2 ILE 58 -0.954 2.622 -11.312 442 2HG2 ILE 58 2HG2 ILE 58 -1.562 1.749 -9.906 443 3HG2 ILE 58 1HG2 ILE 58 -1.289 0.895 -11.425 444 1HD1 ILE 58 1HD1 ILE 58 -3.007 2.104 -8.766 445 2HD1 ILE 58 3HD1 ILE 58 -4.490 2.973 -9.162 446 3HD1 ILE 58 2HD1 ILE 58 -4.574 1.367 -8.439 447 H VAL 59 H VAL 59 -1.305 5.156 -10.830 448 HA VAL 59 HA VAL 59 -1.104 6.153 -13.605 449 HB VAL 59 HB VAL 59 0.483 6.853 -11.114 450 1HG1 VAL 59 2HG1 VAL 59 1.710 7.251 -13.239 451 2HG1 VAL 59 1HG1 VAL 59 0.354 8.215 -13.822 452 3HG1 VAL 59 3HG1 VAL 59 1.289 8.760 -12.429 453 1HG2 VAL 59 2HG2 VAL 59 -1.865 8.159 -12.519 454 2HG2 VAL 59 1HG2 VAL 59 -1.808 7.561 -10.860 455 3HG2 VAL 59 3HG2 VAL 59 -0.876 8.987 -11.317 456 H LYS 60 H LYS 60 0.563 3.996 -11.398 457 HA LYS 60 HA LYS 60 2.679 3.575 -13.466 458 1HB LYS 60 2HB LYS 60 2.944 4.024 -10.748 459 2HB LYS 60 1HB LYS 60 3.072 2.269 -10.867 460 1HG LYS 60 2HG LYS 60 5.233 2.625 -11.436 461 2HG LYS 60 1HG LYS 60 4.604 3.141 -13.001 462 1HD LYS 60 2HD LYS 60 4.280 5.376 -11.349 463 2HD LYS 60 1HD LYS 60 5.864 4.730 -10.915 464 1HE LYS 60 2HE LYS 60 5.938 4.525 -13.642 465 2HE LYS 60 1HE LYS 60 4.968 5.983 -13.435 466 1HZ LYS 60 2HZ LYS 60 7.154 5.987 -11.638 467 2HZ LYS 60 1HZ LYS 60 7.713 5.758 -13.226 468 3HZ LYS 60 3HZ LYS 60 6.764 7.112 -12.850 469 H ASN 61 H ASN 61 2.732 1.625 -14.508 470 HA ASN 61 HA ASN 61 0.628 -0.334 -13.880 471 1HB ASN 61 2HB ASN 61 2.756 -0.279 -16.043 472 2HB ASN 61 1HB ASN 61 1.482 -1.492 -15.919 473 1HD2 ASN 61 2HD2 ASN 61 0.534 2.299 -17.174 474 2HD2 ASN 61 1HD2 ASN 61 2.037 2.008 -16.421 475 H GLU 62 H GLU 62 1.124 -2.605 -13.486 476 HA GLU 62 HA GLU 62 3.255 -2.976 -11.581 477 1HB GLU 62 2HB GLU 62 2.603 -5.451 -11.872 478 2HB GLU 62 1HB GLU 62 1.345 -4.360 -11.292 479 1HG GLU 62 2HG GLU 62 0.060 -4.843 -13.074 480 2HG GLU 62 1HG GLU 62 1.352 -4.337 -14.168 481 H GLY 63 H GLY 63 5.267 -3.954 -11.852 482 1HA GLY 63 2HA GLY 63 6.919 -5.230 -13.070 483 2HA GLY 63 1HA GLY 63 5.962 -5.012 -14.540 484 H ASP 64 H ASP 64 5.784 -2.049 -13.395 485 HA ASP 64 HA ASP 64 8.178 -1.168 -14.911 486 1HB ASP 64 2HB ASP 64 6.421 0.056 -15.751 487 2HB ASP 64 1HB ASP 64 5.524 0.028 -14.233 488 H THR 65 H THR 65 9.223 0.890 -13.978 489 HA THR 65 HA THR 65 9.981 0.287 -11.186 490 HB THR 65 HB THR 65 11.671 0.820 -13.008 491 HG1 THR 65 HG1 THR 65 12.649 2.534 -11.523 492 1HG2 THR 65 1HG2 THR 65 10.434 3.561 -12.656 493 2HG2 THR 65 3HG2 THR 65 11.980 3.272 -13.453 494 3HG2 THR 65 2HG2 THR 65 10.497 2.609 -14.139 495 H VAL 66 H VAL 66 10.009 2.015 -9.553 496 HA VAL 66 HA VAL 66 7.994 4.159 -10.095 497 HB VAL 66 HB VAL 66 7.485 3.853 -7.553 498 1HG1 VAL 66 3HG1 VAL 66 6.593 2.234 -9.893 499 2HG1 VAL 66 2HG1 VAL 66 6.058 1.705 -8.299 500 3HG1 VAL 66 1HG1 VAL 66 5.667 3.328 -8.867 501 1HG2 VAL 66 3HG2 VAL 66 8.670 1.151 -8.272 502 2HG2 VAL 66 2HG2 VAL 66 9.357 2.299 -7.124 503 3HG2 VAL 66 1HG2 VAL 66 7.811 1.526 -6.779 504 H LEU 67 H LEU 67 8.182 5.691 -7.915 505 HA LEU 67 HA LEU 67 11.069 6.139 -7.355 506 1HB LEU 67 2HB LEU 67 9.341 7.822 -9.011 507 2HB LEU 67 1HB LEU 67 10.057 8.711 -7.666 508 HG LEU 67 HG LEU 67 11.836 6.874 -9.205 509 1HD1 LEU 67 3HD1 LEU 67 10.326 8.382 -10.767 510 2HD1 LEU 67 2HD1 LEU 67 11.414 9.662 -10.230 511 3HD1 LEU 67 1HD1 LEU 67 12.059 8.250 -11.069 512 1HD2 LEU 67 1HD2 LEU 67 12.004 9.155 -7.382 513 2HD2 LEU 67 3HD2 LEU 67 13.224 7.942 -7.771 514 3HD2 LEU 67 2HD2 LEU 67 13.029 9.358 -8.803 515 H SER 68 H SER 68 11.150 8.122 -5.698 516 HA SER 68 HA SER 68 9.648 7.278 -3.383 517 1HB SER 68 2HB SER 68 11.952 8.432 -3.446 518 2HB SER 68 1HB SER 68 11.061 9.935 -3.667 519 HG SER 68 HG SER 68 10.642 9.892 -1.617 520 H GLY 69 H GLY 69 7.599 7.857 -2.862 521 1HA GLY 69 2HA GLY 69 5.677 9.208 -2.649 522 2HA GLY 69 1HA GLY 69 6.602 10.551 -3.324 523 H GLU 70 H GLU 70 6.560 7.571 -5.090 524 HA GLU 70 HA GLU 70 5.330 8.877 -7.377 525 1HB GLU 70 2HB GLU 70 7.045 7.167 -7.716 526 2HB GLU 70 1HB GLU 70 6.052 5.972 -6.882 527 1HG GLU 70 2HG GLU 70 5.835 5.728 -9.324 528 2HG GLU 70 1HG GLU 70 4.302 6.226 -8.611 529 H LEU 71 H LEU 71 3.171 9.362 -7.115 530 HA LEU 71 HA LEU 71 1.303 7.833 -5.602 531 1HB LEU 71 2HB LEU 71 0.825 10.140 -6.236 532 2HB LEU 71 1HB LEU 71 0.849 9.704 -7.946 533 HG LEU 71 HG LEU 71 -0.958 7.903 -6.836 534 1HD1 LEU 71 2HD1 LEU 71 -0.704 9.965 -4.978 535 2HD1 LEU 71 1HD1 LEU 71 -2.136 10.408 -5.907 536 3HD1 LEU 71 3HD1 LEU 71 -2.058 8.842 -5.099 537 1HD2 LEU 71 1HD2 LEU 71 -0.857 9.844 -8.842 538 2HD2 LEU 71 3HD2 LEU 71 -2.188 8.725 -8.547 539 3HD2 LEU 71 2HD2 LEU 71 -2.219 10.338 -7.837 540 H LEU 72 H LEU 72 1.048 5.676 -6.063 541 HA LEU 72 HA LEU 72 1.048 4.731 -8.845 542 1HB LEU 72 2HB LEU 72 0.396 3.170 -6.331 543 2HB LEU 72 1HB LEU 72 0.881 2.518 -7.896 544 HG LEU 72 HG LEU 72 2.763 4.493 -6.790 545 1HD1 LEU 72 1HD1 LEU 72 1.717 2.488 -5.041 546 2HD1 LEU 72 3HD1 LEU 72 3.368 2.034 -5.465 547 3HD1 LEU 72 2HD1 LEU 72 3.045 3.609 -4.741 548 1HD2 LEU 72 3HD2 LEU 72 2.743 1.925 -8.287 549 2HD2 LEU 72 2HD2 LEU 72 3.708 3.377 -8.557 550 3HD2 LEU 72 1HD2 LEU 72 4.169 2.234 -7.296 551 H GLY 73 H GLY 73 -1.242 5.986 -6.677 552 1HA GLY 73 2HA GLY 73 -3.426 6.061 -8.329 553 2HA GLY 73 1HA GLY 73 -3.521 4.429 -7.657 554 H LYS 74 H LYS 74 -5.543 6.266 -7.110 555 HA LYS 74 HA LYS 74 -5.050 6.833 -4.214 556 1HB LYS 74 2HB LYS 74 -6.310 8.520 -6.346 557 2HB LYS 74 1HB LYS 74 -6.935 8.637 -4.701 558 1HG LYS 74 2HG LYS 74 -4.610 9.053 -3.890 559 2HG LYS 74 1HG LYS 74 -4.060 9.058 -5.566 560 1HD LYS 74 2HD LYS 74 -6.369 10.820 -4.963 561 2HD LYS 74 1HD LYS 74 -4.828 11.302 -4.251 562 1HE LYS 74 2HE LYS 74 -3.755 11.234 -6.449 563 2HE LYS 74 1HE LYS 74 -5.254 10.666 -7.186 564 1HZ LYS 74 2HZ LYS 74 -5.164 13.187 -5.652 565 2HZ LYS 74 1HZ LYS 74 -4.732 13.146 -7.295 566 3HZ LYS 74 3HZ LYS 74 -6.295 12.692 -6.818 567 H LEU 75 H LEU 75 -6.888 6.489 -2.831 568 HA LEU 75 HA LEU 75 -8.832 4.555 -3.977 569 1HB LEU 75 2HB LEU 75 -7.474 4.037 -1.878 570 2HB LEU 75 1HB LEU 75 -8.448 5.259 -1.059 571 HG LEU 75 HG LEU 75 -10.101 3.414 -2.594 572 1HD1 LEU 75 3HD1 LEU 75 -7.868 2.243 -1.286 573 2HD1 LEU 75 2HD1 LEU 75 -9.280 1.907 -0.284 574 3HD1 LEU 75 1HD1 LEU 75 -9.264 1.417 -1.979 575 1HD2 LEU 75 2HD2 LEU 75 -10.571 5.082 -0.607 576 2HD2 LEU 75 1HD2 LEU 75 -11.464 3.563 -0.703 577 3HD2 LEU 75 3HD2 LEU 75 -10.092 3.712 0.397 578 H THR 76 H THR 76 -11.113 4.832 -3.585 579 HA THR 76 HA THR 76 -11.865 7.689 -3.156 580 HB THR 76 HB THR 76 -13.563 5.530 -4.428 581 HG1 THR 76 HG1 THR 76 -11.842 7.419 -5.658 582 1HG2 THR 76 2HG2 THR 76 -13.704 8.503 -4.095 583 2HG2 THR 76 1HG2 THR 76 -14.409 7.775 -5.539 584 3HG2 THR 76 3HG2 THR 76 -14.983 7.298 -3.941 585 H GLU 77 H GLU 77 -14.184 7.874 -2.189 586 HA GLU 77 HA GLU 77 -14.154 6.507 0.379 587 1HB GLU 77 2HB GLU 77 -15.865 8.577 -0.943 588 2HB GLU 77 1HB GLU 77 -16.527 7.709 0.442 589 1HG GLU 77 2HG GLU 77 -14.428 8.293 1.712 590 2HG GLU 77 1HG GLU 77 -13.964 9.322 0.357 591 H GLY 78 H GLY 78 -16.330 5.490 1.148 592 1HA GLY 78 2HA GLY 78 -17.072 3.448 -0.876 593 2HA GLY 78 1HA GLY 78 -17.363 3.325 0.861 594 H GLY 79 HN GLY 79 -19.600 2.739 0.087 595 1HA GLY 79 2HA GLY 79 -21.662 4.232 0.691 596 2HA GLY 79 1HA GLY 79 -21.182 5.120 -0.757 No H/Q in entry = 596 Start of MODEL 24 1 1H ALA 1 3H ALA 1 -10.372 11.285 1.261 2 2H ALA 1 2H ALA 1 -11.046 11.844 -0.196 3 3H ALA 1 1H ALA 1 -12.020 11.042 0.943 4 HA ALA 1 HA ALA 1 -11.579 9.101 0.010 5 1HB ALA 1 2HB ALA 1 -10.782 11.015 -1.887 6 2HB ALA 1 1HB ALA 1 -9.478 9.828 -1.856 7 3HB ALA 1 3HB ALA 1 -11.132 9.313 -2.189 8 H ILE 2 H ILE 2 -9.178 7.998 -1.050 9 HA ILE 2 HA ILE 2 -7.248 8.278 1.206 10 HB ILE 2 HB ILE 2 -8.196 5.626 0.081 11 1HG1 ILE 2 2HG1 ILE 2 -9.919 6.879 1.442 12 2HG1 ILE 2 1HG1 ILE 2 -9.423 5.340 2.148 13 1HG2 ILE 2 3HG2 ILE 2 -5.876 6.380 1.522 14 2HG2 ILE 2 2HG2 ILE 2 -6.927 5.548 2.668 15 3HG2 ILE 2 1HG2 ILE 2 -6.439 4.744 1.177 16 1HD1 ILE 2 3HD1 ILE 2 -7.745 7.613 2.967 17 2HD1 ILE 2 2HD1 ILE 2 -9.426 7.746 3.484 18 3HD1 ILE 2 1HD1 ILE 2 -8.470 6.339 3.948 19 H ASP 3 H ASP 3 -5.441 8.989 0.161 20 HA ASP 3 HA ASP 3 -4.863 8.056 -2.581 21 1HB ASP 3 2HB ASP 3 -4.550 10.466 -1.805 22 2HB ASP 3 1HB ASP 3 -3.173 9.889 -0.861 23 H ILE 4 H ILE 4 -3.433 6.436 -3.014 24 HA ILE 4 HA ILE 4 -1.871 5.341 -0.720 25 HB ILE 4 HB ILE 4 -2.689 4.086 -3.358 26 1HG1 ILE 4 2HG1 ILE 4 -3.559 2.656 -1.048 27 2HG1 ILE 4 1HG1 ILE 4 -3.983 4.352 -0.811 28 1HG2 ILE 4 3HG2 ILE 4 -0.834 3.225 -1.167 29 2HG2 ILE 4 2HG2 ILE 4 -1.816 2.003 -1.976 30 3HG2 ILE 4 1HG2 ILE 4 -0.691 2.991 -2.909 31 1HD1 ILE 4 2HD1 ILE 4 -4.588 3.797 -3.505 32 2HD1 ILE 4 1HD1 ILE 4 -5.183 2.411 -2.592 33 3HD1 ILE 4 3HD1 ILE 4 -5.736 4.036 -2.188 34 H LYS 5 H LYS 5 0.321 5.554 -0.751 35 HA LYS 5 HA LYS 5 1.630 6.143 -3.372 36 1HB LYS 5 2HB LYS 5 2.105 7.506 -0.707 37 2HB LYS 5 1HB LYS 5 3.166 7.685 -2.105 38 1HG LYS 5 2HG LYS 5 1.565 8.850 -3.340 39 2HG LYS 5 1HG LYS 5 0.220 8.182 -2.413 40 1HD LYS 5 2HD LYS 5 0.492 10.497 -1.760 41 2HD LYS 5 1HD LYS 5 1.038 9.486 -0.421 42 1HE LYS 5 2HE LYS 5 3.343 9.831 -0.985 43 2HE LYS 5 1HE LYS 5 2.920 10.576 -2.526 44 1HZ LYS 5 1HZ LYS 5 1.873 11.759 -0.056 45 2HZ LYS 5 3HZ LYS 5 3.499 12.031 -0.455 46 3HZ LYS 5 2HZ LYS 5 2.272 12.506 -1.530 47 H ALA 6 H ALA 6 4.159 5.917 -2.994 48 HA ALA 6 HA ALA 6 4.548 3.211 -1.911 49 1HB ALA 6 1HB ALA 6 5.857 4.917 -3.852 50 2HB ALA 6 3HB ALA 6 7.033 4.275 -2.704 51 3HB ALA 6 2HB ALA 6 6.010 3.174 -3.626 52 HA PRO 7 HA PRO 7 6.324 4.483 1.895 53 1HB PRO 7 2HB PRO 7 7.980 2.336 2.350 54 2HB PRO 7 1HB PRO 7 6.219 2.271 2.534 55 1HG PRO 7 2HG PRO 7 7.921 1.144 0.360 56 2HG PRO 7 1HG PRO 7 6.332 0.609 0.931 57 1HD PRO 7 2HD PRO 7 6.829 2.132 -1.404 58 2HD PRO 7 1HD PRO 7 5.243 1.872 -0.642 59 H THR 8 H THR 8 8.033 5.811 2.453 60 HA THR 8 HA THR 8 9.984 6.708 0.698 61 HB THR 8 HB THR 8 10.854 6.436 3.533 62 HG1 THR 8 HG1 THR 8 9.219 7.567 4.323 63 1HG2 THR 8 2HG2 THR 8 11.747 7.923 1.525 64 2HG2 THR 8 1HG2 THR 8 10.453 9.001 2.048 65 3HG2 THR 8 3HG2 THR 8 11.731 8.547 3.174 66 H PHE 9 H PHE 9 11.479 5.529 -0.392 67 HA PHE 9 HA PHE 9 12.335 2.910 0.391 68 1HB PHE 9 2HB PHE 9 13.423 4.932 -1.576 69 2HB PHE 9 1HB PHE 9 14.184 3.354 -1.336 70 HD1 PHE 9 HD1 PHE 9 12.969 1.272 -1.885 71 HD2 PHE 9 HD2 PHE 9 11.270 5.141 -2.664 72 HE1 PHE 9 HE1 PHE 9 11.281 0.231 -3.375 73 HE2 PHE 9 HE2 PHE 9 9.581 4.100 -4.154 74 HZ PHE 9 HZ PHE 9 9.586 1.644 -4.509 75 HA PRO 10 HA PRO 10 15.492 3.898 3.285 76 1HB PRO 10 2HB PRO 10 16.905 1.545 3.124 77 2HB PRO 10 1HB PRO 10 15.353 1.699 3.965 78 1HG PRO 10 2HG PRO 10 15.941 0.426 1.334 79 2HG PRO 10 1HG PRO 10 14.634 0.083 2.478 80 1HD PRO 10 2HD PRO 10 14.397 1.595 0.096 81 2HD PRO 10 1HD PRO 10 13.201 1.519 1.410 82 H GLU 11 H GLU 11 18.023 3.777 3.402 83 HA GLU 11 HA GLU 11 19.102 5.168 1.128 84 1HB GLU 11 2HB GLU 11 19.935 5.401 3.486 85 2HB GLU 11 1HB GLU 11 20.633 3.786 3.352 86 1HG GLU 11 2HG GLU 11 22.248 4.460 1.825 87 2HG GLU 11 1HG GLU 11 21.278 5.811 1.239 88 H SER 12 H SER 12 19.848 1.907 2.423 89 HA SER 12 HA SER 12 21.601 0.975 0.519 90 1HB SER 12 2HB SER 12 20.766 -0.379 2.427 91 2HB SER 12 1HB SER 12 19.225 -0.579 1.590 92 HG SER 12 HG SER 12 20.498 -1.500 -0.159 93 H ILE 13 H ILE 13 18.072 1.239 0.164 94 HA ILE 13 HA ILE 13 18.285 0.326 -2.648 95 HB ILE 13 HB ILE 13 15.784 1.199 -1.186 96 1HG1 ILE 13 2HG1 ILE 13 17.088 -0.606 0.040 97 2HG1 ILE 13 1HG1 ILE 13 15.466 -1.077 -0.470 98 1HG2 ILE 13 1HG2 ILE 13 16.413 0.202 -3.823 99 2HG2 ILE 13 3HG2 ILE 13 15.360 -0.940 -2.987 100 3HG2 ILE 13 2HG2 ILE 13 14.858 0.739 -3.187 101 1HD1 ILE 13 3HD1 ILE 13 17.347 -1.603 -2.595 102 2HD1 ILE 13 2HD1 ILE 13 17.898 -2.370 -1.105 103 3HD1 ILE 13 1HD1 ILE 13 16.295 -2.735 -1.745 104 H ALA 14 H ALA 14 17.552 1.679 -4.397 105 HA ALA 14 HA ALA 14 17.410 4.587 -3.711 106 1HB ALA 14 3HB ALA 14 19.389 3.228 -5.257 107 2HB ALA 14 2HB ALA 14 18.443 4.231 -6.356 108 3HB ALA 14 1HB ALA 14 19.242 4.960 -4.963 109 H ASP 15 H ASP 15 15.570 2.150 -4.684 110 HA ASP 15 HA ASP 15 13.518 3.703 -5.829 111 1HB ASP 15 2HB ASP 15 13.800 2.657 -8.242 112 2HB ASP 15 1HB ASP 15 14.639 4.151 -7.819 113 H GLY 16 H GLY 16 12.160 2.003 -7.437 114 1HA GLY 16 2HA GLY 16 12.362 -0.751 -6.431 115 2HA GLY 16 1HA GLY 16 10.933 0.130 -5.889 116 H THR 17 H THR 17 10.098 -1.867 -7.262 117 HA THR 17 HA THR 17 9.299 -0.741 -9.873 118 HB THR 17 HB THR 17 10.043 -3.581 -10.082 119 HG1 THR 17 HG1 THR 17 12.072 -1.611 -9.904 120 1HG2 THR 17 2HG2 THR 17 10.551 -1.072 -11.700 121 2HG2 THR 17 1HG2 THR 17 11.071 -2.681 -12.199 122 3HG2 THR 17 3HG2 THR 17 9.353 -2.325 -12.026 123 H VAL 18 H VAL 18 7.153 -1.135 -10.161 124 HA VAL 18 HA VAL 18 5.453 -2.271 -8.299 125 HB VAL 18 HB VAL 18 5.105 -2.447 -11.309 126 1HG1 VAL 18 1HG1 VAL 18 3.217 -2.661 -8.958 127 2HG1 VAL 18 3HG1 VAL 18 2.647 -2.238 -10.573 128 3HG1 VAL 18 2HG1 VAL 18 3.430 -3.794 -10.293 129 1HG2 VAL 18 1HG2 VAL 18 5.282 -0.194 -9.536 130 2HG2 VAL 18 3HG2 VAL 18 4.954 -0.199 -11.269 131 3HG2 VAL 18 2HG2 VAL 18 3.623 -0.325 -10.119 132 H ALA 19 H ALA 19 4.210 -4.380 -8.453 133 HA ALA 19 HA ALA 19 6.058 -6.584 -9.278 134 1HB ALA 19 1HB ALA 19 5.695 -6.324 -6.796 135 2HB ALA 19 3HB ALA 19 3.988 -6.671 -7.066 136 3HB ALA 19 2HB ALA 19 5.205 -7.895 -7.431 137 H THR 20 H THR 20 2.612 -6.462 -8.335 138 HA THR 20 HA THR 20 1.748 -7.124 -11.050 139 HB THR 20 HB THR 20 1.617 -9.188 -8.833 140 HG1 THR 20 HG1 THR 20 2.760 -10.409 -10.350 141 1HG2 THR 20 2HG2 THR 20 -0.178 -8.672 -11.046 142 2HG2 THR 20 1HG2 THR 20 0.598 -10.245 -11.230 143 3HG2 THR 20 3HG2 THR 20 -0.311 -9.877 -9.764 144 H TRP 21 H TRP 21 -0.246 -6.216 -11.289 145 HA TRP 21 HA TRP 21 -1.682 -5.309 -8.886 146 1HB TRP 21 2HB TRP 21 -1.718 -4.705 -11.807 147 2HB TRP 21 1HB TRP 21 -3.208 -4.449 -10.904 148 HD1 TRP 21 HD1 TRP 21 0.258 -3.066 -11.410 149 HE1 TRP 21 HE1 TRP 21 0.527 -0.900 -10.026 150 HE3 TRP 21 HE3 TRP 21 -4.019 -3.240 -8.617 151 HZ2 TRP 21 HZ2 TRP 21 -0.855 0.547 -8.035 152 HZ3 TRP 21 HZ3 TRP 21 -4.518 -1.445 -6.976 153 HH2 TRP 21 HH2 TRP 21 -2.941 0.450 -6.681 154 H HIS 22 H HIS 22 -2.442 -7.379 -8.126 155 HA HIS 22 HA HIS 22 -3.723 -9.420 -9.495 156 1HB HIS 22 2HB HIS 22 -5.120 -8.406 -7.039 157 2HB HIS 22 1HB HIS 22 -4.726 -10.066 -7.497 158 HD1 HIS 22 HD1 HIS 22 -3.162 -6.936 -6.102 159 HD2 HIS 22 HD2 HIS 22 -2.174 -10.944 -6.665 160 HE1 HIS 22 HE1 HIS 22 -0.938 -7.284 -4.979 161 H LYS 23 H LYS 23 -5.475 -6.570 -8.197 162 HA LYS 23 HA LYS 23 -7.595 -7.111 -10.228 163 1HB LYS 23 2HB LYS 23 -7.784 -5.265 -7.837 164 2HB LYS 23 1HB LYS 23 -9.107 -5.901 -8.814 165 1HG LYS 23 2HG LYS 23 -8.564 -8.191 -8.057 166 2HG LYS 23 1HG LYS 23 -7.253 -7.548 -7.067 167 1HD LYS 23 2HD LYS 23 -8.671 -6.786 -5.460 168 2HD LYS 23 1HD LYS 23 -9.862 -6.237 -6.640 169 1HE LYS 23 2HE LYS 23 -11.079 -8.008 -5.888 170 2HE LYS 23 1HE LYS 23 -10.031 -8.945 -6.954 171 1HZ LYS 23 3HZ LYS 23 -8.527 -9.307 -5.100 172 2HZ LYS 23 2HZ LYS 23 -9.539 -8.406 -4.074 173 3HZ LYS 23 1HZ LYS 23 -10.081 -9.878 -4.729 174 H LYS 24 H LYS 24 -8.731 -4.847 -10.798 175 HA LYS 24 HA LYS 24 -6.525 -2.978 -11.574 176 1HB LYS 24 2HB LYS 24 -8.630 -4.266 -13.138 177 2HB LYS 24 1HB LYS 24 -8.640 -2.512 -13.324 178 1HG LYS 24 2HG LYS 24 -5.990 -2.934 -13.506 179 2HG LYS 24 1HG LYS 24 -6.559 -4.489 -14.115 180 1HD LYS 24 2HD LYS 24 -8.201 -2.569 -15.348 181 2HD LYS 24 1HD LYS 24 -6.569 -1.904 -15.427 182 1HE LYS 24 2HE LYS 24 -7.367 -4.693 -16.312 183 2HE LYS 24 1HE LYS 24 -7.053 -3.332 -17.389 184 1HZ LYS 24 3HZ LYS 24 -4.833 -3.290 -15.977 185 2HZ LYS 24 2HZ LYS 24 -5.187 -4.945 -15.832 186 3HZ LYS 24 1HZ LYS 24 -4.999 -4.245 -17.368 187 HA PRO 25 HA PRO 25 -8.769 0.291 -9.702 188 1HB PRO 25 2HB PRO 25 -8.328 2.346 -11.475 189 2HB PRO 25 1HB PRO 25 -7.088 1.718 -10.375 190 1HG PRO 25 2HG PRO 25 -7.378 1.296 -13.316 191 2HG PRO 25 1HG PRO 25 -5.914 1.277 -12.319 192 1HD PRO 25 2HD PRO 25 -7.274 -1.003 -13.280 193 2HD PRO 25 1HD PRO 25 -6.050 -0.990 -11.993 194 H GLY 26 H GLY 26 -10.905 0.970 -9.657 195 1HA GLY 26 2HA GLY 26 -12.846 1.972 -10.803 196 2HA GLY 26 1HA GLY 26 -12.387 1.066 -12.250 197 H GLU 27 H GLU 27 -11.792 -1.129 -9.986 198 HA GLU 27 HA GLU 27 -14.464 -2.367 -10.305 199 1HB GLU 27 2HB GLU 27 -11.931 -3.546 -9.123 200 2HB GLU 27 1HB GLU 27 -13.384 -4.428 -9.595 201 1HG GLU 27 2HG GLU 27 -12.767 -3.029 -11.893 202 2HG GLU 27 1HG GLU 27 -11.174 -3.446 -11.260 203 H ALA 28 H ALA 28 -14.846 -3.883 -8.146 204 HA ALA 28 HA ALA 28 -15.001 -1.895 -5.928 205 1HB ALA 28 2HB ALA 28 -16.823 -3.896 -6.994 206 2HB ALA 28 1HB ALA 28 -16.571 -4.119 -5.263 207 3HB ALA 28 3HB ALA 28 -17.153 -2.572 -5.879 208 H VAL 29 H VAL 29 -14.322 -2.503 -3.822 209 HA VAL 29 HA VAL 29 -13.074 -5.166 -3.482 210 HB VAL 29 HB VAL 29 -11.032 -3.916 -2.471 211 1HG1 VAL 29 3HG1 VAL 29 -11.660 -4.863 -5.088 212 2HG1 VAL 29 2HG1 VAL 29 -10.669 -3.416 -5.268 213 3HG1 VAL 29 1HG1 VAL 29 -10.077 -4.777 -4.316 214 1HG2 VAL 29 3HG2 VAL 29 -12.616 -1.727 -3.385 215 2HG2 VAL 29 2HG2 VAL 29 -11.016 -1.670 -2.645 216 3HG2 VAL 29 1HG2 VAL 29 -11.173 -1.794 -4.397 217 H LYS 30 H LYS 30 -12.313 -5.385 -1.118 218 HA LYS 30 HA LYS 30 -13.973 -3.682 0.687 219 1HB LYS 30 2HB LYS 30 -14.867 -6.098 0.077 220 2HB LYS 30 1HB LYS 30 -13.663 -6.609 1.260 221 1HG LYS 30 2HG LYS 30 -14.653 -5.103 2.936 222 2HG LYS 30 1HG LYS 30 -15.847 -4.564 1.755 223 1HD LYS 30 2HD LYS 30 -16.844 -6.744 1.639 224 2HD LYS 30 1HD LYS 30 -15.521 -7.464 2.557 225 1HE LYS 30 2HE LYS 30 -16.969 -7.195 4.308 226 2HE LYS 30 1HE LYS 30 -16.310 -5.560 4.312 227 1HZ LYS 30 1HZ LYS 30 -18.214 -5.310 2.482 228 2HZ LYS 30 3HZ LYS 30 -18.919 -6.510 3.452 229 3HZ LYS 30 2HZ LYS 30 -18.473 -5.020 4.136 230 H ARG 31 H ARG 31 -13.011 -3.255 2.692 231 HA ARG 31 HA ARG 31 -10.279 -3.094 2.977 232 1HB ARG 31 2HB ARG 31 -12.555 -3.123 4.828 233 2HB ARG 31 1HB ARG 31 -11.048 -3.662 5.571 234 1HG ARG 31 2HG ARG 31 -9.938 -1.609 4.603 235 2HG ARG 31 1HG ARG 31 -11.540 -1.048 4.124 236 1HD ARG 31 2HD ARG 31 -11.658 -0.118 6.184 237 2HD ARG 31 1HD ARG 31 -11.904 -1.761 6.775 238 HE ARG 31 HE ARG 31 -9.480 -0.176 7.094 239 1HH1 ARG 31 1HH1 ARG 31 -8.672 -3.943 7.015 240 2HH1 ARG 31 2HH1 ARG 31 -9.258 -3.027 5.668 241 1HH2 ARG 31 1HH2 ARG 31 -9.400 -1.482 9.346 242 2HH2 ARG 31 2HH2 ARG 31 -8.751 -3.069 9.098 243 H ASP 32 H ASP 32 -8.659 -4.418 4.004 244 HA ASP 32 HA ASP 32 -7.610 -6.444 4.574 245 1HB ASP 32 2HB ASP 32 -9.681 -6.657 6.064 246 2HB ASP 32 1HB ASP 32 -10.380 -7.644 4.780 247 H GLU 33 H GLU 33 -8.008 -5.769 1.853 248 HA GLU 33 HA GLU 33 -8.105 -8.503 0.685 249 1HB GLU 33 2HB GLU 33 -10.308 -7.107 0.400 250 2HB GLU 33 1HB GLU 33 -9.372 -6.216 -0.802 251 1HG GLU 33 2HG GLU 33 -9.199 -8.036 -2.220 252 2HG GLU 33 1HG GLU 33 -9.317 -9.205 -0.905 253 H LEU 34 H LEU 34 -6.155 -8.765 -0.280 254 HA LEU 34 HA LEU 34 -4.172 -6.907 -0.711 255 1HB LEU 34 2HB LEU 34 -3.917 -9.351 -1.096 256 2HB LEU 34 1HB LEU 34 -4.828 -9.189 -2.598 257 HG LEU 34 HG LEU 34 -3.136 -7.637 -3.476 258 1HD1 LEU 34 3HD1 LEU 34 -1.754 -8.155 -0.826 259 2HD1 LEU 34 2HD1 LEU 34 -1.033 -7.296 -2.187 260 3HD1 LEU 34 1HD1 LEU 34 -2.437 -6.620 -1.361 261 1HD2 LEU 34 2HD2 LEU 34 -2.193 -10.298 -2.398 262 2HD2 LEU 34 1HD2 LEU 34 -2.684 -9.897 -4.044 263 3HD2 LEU 34 3HD2 LEU 34 -1.153 -9.294 -3.409 264 H ILE 35 H ILE 35 -3.413 -5.881 -2.781 265 HA ILE 35 HA ILE 35 -5.535 -5.319 -4.759 266 HB ILE 35 HB ILE 35 -4.223 -3.170 -3.069 267 1HG1 ILE 35 2HG1 ILE 35 -7.120 -3.991 -3.462 268 2HG1 ILE 35 1HG1 ILE 35 -6.155 -4.286 -2.015 269 1HG2 ILE 35 3HG2 ILE 35 -4.472 -2.701 -5.583 270 2HG2 ILE 35 2HG2 ILE 35 -6.213 -2.766 -5.308 271 3HG2 ILE 35 1HG2 ILE 35 -5.237 -1.549 -4.487 272 1HD1 ILE 35 1HD1 ILE 35 -6.747 -1.536 -3.146 273 2HD1 ILE 35 3HD1 ILE 35 -7.623 -2.273 -1.804 274 3HD1 ILE 35 2HD1 ILE 35 -5.908 -1.892 -1.636 275 H VAL 36 H VAL 36 -2.209 -4.630 -3.674 276 HA VAL 36 HA VAL 36 -1.223 -5.214 -6.374 277 HB VAL 36 HB VAL 36 -1.858 -2.834 -6.570 278 1HG1 VAL 36 3HG1 VAL 36 0.081 -2.456 -4.267 279 2HG1 VAL 36 2HG1 VAL 36 -0.702 -1.159 -5.170 280 3HG1 VAL 36 1HG1 VAL 36 -1.669 -2.252 -4.179 281 1HG2 VAL 36 2HG2 VAL 36 0.189 -3.741 -7.711 282 2HG2 VAL 36 1HG2 VAL 36 0.290 -2.015 -7.365 283 3HG2 VAL 36 3HG2 VAL 36 1.150 -3.170 -6.347 284 H ASP 37 H ASP 37 0.956 -5.825 -6.319 285 HA ASP 37 HA ASP 37 2.181 -5.871 -3.595 286 1HB ASP 37 2HB ASP 37 2.258 -7.739 -5.936 287 2HB ASP 37 1HB ASP 37 3.659 -7.675 -4.865 288 H ILE 38 H ILE 38 4.369 -5.226 -3.366 289 HA ILE 38 HA ILE 38 5.377 -3.564 -5.627 290 HB ILE 38 HB ILE 38 6.221 -3.542 -2.714 291 1HG1 ILE 38 2HG1 ILE 38 4.515 -1.484 -4.124 292 2HG1 ILE 38 1HG1 ILE 38 3.796 -2.860 -3.284 293 1HG2 ILE 38 3HG2 ILE 38 6.989 -2.021 -5.169 294 2HG2 ILE 38 2HG2 ILE 38 6.911 -1.137 -3.644 295 3HG2 ILE 38 1HG2 ILE 38 7.986 -2.527 -3.806 296 1HD1 ILE 38 1HD1 ILE 38 5.229 -2.156 -1.264 297 2HD1 ILE 38 3HD1 ILE 38 5.479 -0.637 -2.123 298 3HD1 ILE 38 2HD1 ILE 38 3.851 -1.129 -1.660 299 H GLU 39 H GLU 39 7.590 -3.773 -6.275 300 HA GLU 39 HA GLU 39 8.990 -6.201 -5.240 301 1HB GLU 39 2HB GLU 39 7.836 -5.915 -7.806 302 2HB GLU 39 1HB GLU 39 9.578 -5.757 -8.031 303 1HG GLU 39 2HG GLU 39 8.820 -7.906 -6.172 304 2HG GLU 39 1HG GLU 39 8.233 -8.151 -7.818 305 H THR 40 H THR 40 10.587 -5.089 -4.114 306 HA THR 40 HA THR 40 12.017 -2.884 -5.481 307 HB THR 40 HB THR 40 11.297 -2.804 -3.021 308 HG1 THR 40 HG1 THR 40 13.266 -1.791 -2.457 309 1HG2 THR 40 2HG2 THR 40 12.028 -5.132 -2.506 310 2HG2 THR 40 1HG2 THR 40 13.702 -4.625 -2.734 311 3HG2 THR 40 3HG2 THR 40 12.744 -3.939 -1.421 312 H ASP 41 H ASP 41 14.578 -3.143 -4.569 313 HA ASP 41 HA ASP 41 15.893 -4.771 -6.349 314 1HB ASP 41 2HB ASP 41 16.708 -3.169 -4.305 315 2HB ASP 41 1HB ASP 41 17.132 -4.755 -3.660 316 H LYS 42 H LYS 42 15.183 -5.743 -2.969 317 HA LYS 42 HA LYS 42 14.759 -8.513 -3.920 318 1HB LYS 42 2HB LYS 42 16.729 -7.888 -1.703 319 2HB LYS 42 1HB LYS 42 16.355 -9.476 -2.373 320 1HG LYS 42 2HG LYS 42 17.227 -8.750 -4.570 321 2HG LYS 42 1HG LYS 42 17.624 -7.173 -3.885 322 1HD LYS 42 2HD LYS 42 18.695 -9.319 -2.247 323 2HD LYS 42 1HD LYS 42 19.272 -9.441 -3.909 324 1HE LYS 42 2HE LYS 42 20.802 -8.014 -2.686 325 2HE LYS 42 1HE LYS 42 19.885 -7.005 -3.805 326 1HZ LYS 42 3HZ LYS 42 18.480 -7.235 -1.376 327 2HZ LYS 42 2HZ LYS 42 20.073 -6.744 -1.047 328 3HZ LYS 42 1HZ LYS 42 19.106 -5.840 -2.111 329 H VAL 43 H VAL 43 12.773 -6.856 -3.023 330 HA VAL 43 HA VAL 43 11.943 -8.234 -0.559 331 HB VAL 43 HB VAL 43 11.735 -5.238 -0.526 332 1HG1 VAL 43 1HG1 VAL 43 11.720 -7.507 1.458 333 2HG1 VAL 43 3HG1 VAL 43 12.037 -5.855 1.988 334 3HG1 VAL 43 2HG1 VAL 43 10.506 -6.251 1.207 335 1HG2 VAL 43 2HG2 VAL 43 14.131 -6.858 0.399 336 2HG2 VAL 43 1HG2 VAL 43 14.120 -5.714 -0.943 337 3HG2 VAL 43 3HG2 VAL 43 13.880 -5.141 0.707 338 H VAL 44 H VAL 44 10.053 -9.026 -1.402 339 HA VAL 44 HA VAL 44 8.394 -7.312 -3.144 340 HB VAL 44 HB VAL 44 8.052 -10.179 -2.211 341 1HG1 VAL 44 2HG1 VAL 44 5.897 -9.008 -2.700 342 2HG1 VAL 44 1HG1 VAL 44 6.504 -8.631 -4.311 343 3HG1 VAL 44 3HG1 VAL 44 6.240 -10.309 -3.840 344 1HG2 VAL 44 1HG2 VAL 44 9.650 -8.957 -4.250 345 2HG2 VAL 44 3HG2 VAL 44 9.450 -10.676 -3.907 346 3HG2 VAL 44 2HG2 VAL 44 8.361 -9.869 -5.036 347 H MET 45 H MET 45 7.224 -5.822 -1.994 348 HA MET 45 HA MET 45 6.105 -6.556 0.640 349 1HB MET 45 2HB MET 45 6.457 -4.025 -0.915 350 2HB MET 45 1HB MET 45 5.169 -4.084 0.289 351 1HG MET 45 2HG MET 45 6.699 -4.568 2.052 352 2HG MET 45 1HG MET 45 8.002 -4.929 0.919 353 1HE MET 45 1HE MET 45 5.835 -2.811 2.679 354 2HE MET 45 3HE MET 45 6.788 -1.360 3.017 355 3HE MET 45 2HE MET 45 5.646 -1.375 1.676 356 H GLU 46 H GLU 46 3.715 -5.632 0.919 357 HA GLU 46 HA GLU 46 2.103 -6.419 -1.468 358 1HB GLU 46 2HB GLU 46 1.169 -7.136 1.292 359 2HB GLU 46 1HB GLU 46 0.772 -7.893 -0.252 360 1HG GLU 46 2HG GLU 46 3.301 -8.519 -0.328 361 2HG GLU 46 1HG GLU 46 3.269 -8.191 1.404 362 H VAL 47 H VAL 47 0.033 -5.372 -1.584 363 HA VAL 47 HA VAL 47 -0.316 -3.113 0.345 364 HB VAL 47 HB VAL 47 -0.778 -3.064 -2.653 365 1HG1 VAL 47 2HG1 VAL 47 -1.769 -1.425 -0.458 366 2HG1 VAL 47 1HG1 VAL 47 -0.829 -0.472 -1.606 367 3HG1 VAL 47 3HG1 VAL 47 -2.222 -1.399 -2.164 368 1HG2 VAL 47 2HG2 VAL 47 1.560 -2.628 -1.083 369 2HG2 VAL 47 1HG2 VAL 47 1.351 -2.344 -2.811 370 3HG2 VAL 47 3HG2 VAL 47 1.013 -1.053 -1.659 371 H LEU 48 H LEU 48 -2.092 -3.741 1.504 372 HA LEU 48 HA LEU 48 -4.300 -5.158 0.134 373 1HB LEU 48 2HB LEU 48 -3.270 -5.044 2.825 374 2HB LEU 48 1HB LEU 48 -4.980 -4.613 2.830 375 HG LEU 48 HG LEU 48 -5.413 -6.662 1.420 376 1HD1 LEU 48 2HD1 LEU 48 -2.932 -6.762 0.721 377 2HD1 LEU 48 1HD1 LEU 48 -2.651 -7.523 2.287 378 3HD1 LEU 48 3HD1 LEU 48 -3.718 -8.293 1.112 379 1HD2 LEU 48 1HD2 LEU 48 -4.922 -6.419 4.207 380 2HD2 LEU 48 3HD2 LEU 48 -5.940 -7.609 3.396 381 3HD2 LEU 48 2HD2 LEU 48 -4.241 -7.966 3.705 382 H ALA 49 H ALA 49 -6.584 -4.345 1.001 383 HA ALA 49 HA ALA 49 -6.814 -1.566 0.095 384 1HB ALA 49 3HB ALA 49 -8.453 -3.441 -0.471 385 2HB ALA 49 2HB ALA 49 -9.022 -3.320 1.193 386 3HB ALA 49 1HB ALA 49 -9.178 -1.940 0.105 387 H GLU 50 H GLU 50 -6.754 0.149 1.459 388 HA GLU 50 HA GLU 50 -6.930 -0.346 4.373 389 1HB GLU 50 2HB GLU 50 -5.456 1.443 2.729 390 2HB GLU 50 1HB GLU 50 -6.540 2.425 3.715 391 1HG GLU 50 2HG GLU 50 -5.055 0.191 5.041 392 2HG GLU 50 1HG GLU 50 -4.171 1.665 4.646 393 H ALA 51 H ALA 51 -9.226 -0.106 2.230 394 HA ALA 51 HA ALA 51 -11.246 0.832 3.957 395 1HB ALA 51 1HB ALA 51 -9.736 2.983 3.143 396 2HB ALA 51 3HB ALA 51 -11.034 2.976 1.949 397 3HB ALA 51 2HB ALA 51 -11.417 3.079 3.667 398 H ASP 52 H ASP 52 -13.041 -0.107 3.111 399 HA ASP 52 HA ASP 52 -13.101 -1.286 0.525 400 1HB ASP 52 2HB ASP 52 -14.661 -2.263 1.904 401 2HB ASP 52 1HB ASP 52 -15.106 -0.744 2.673 402 H GLY 53 H GLY 53 -14.869 -0.690 -1.124 403 1HA GLY 53 2HA GLY 53 -16.215 1.408 -1.842 404 2HA GLY 53 1HA GLY 53 -14.677 2.252 -1.630 405 H VAL 54 H VAL 54 -14.237 2.788 -3.765 406 HA VAL 54 HA VAL 54 -13.670 0.488 -5.569 407 HB VAL 54 HB VAL 54 -15.332 2.931 -6.231 408 1HG1 VAL 54 2HG1 VAL 54 -13.658 1.166 -7.957 409 2HG1 VAL 54 1HG1 VAL 54 -15.257 1.600 -8.561 410 3HG1 VAL 54 3HG1 VAL 54 -14.089 2.863 -8.169 411 1HG2 VAL 54 1HG2 VAL 54 -16.108 0.480 -5.338 412 2HG2 VAL 54 3HG2 VAL 54 -17.085 1.473 -6.420 413 3HG2 VAL 54 2HG2 VAL 54 -16.074 0.186 -7.077 414 H ILE 55 H ILE 55 -11.707 0.715 -6.558 415 HA ILE 55 HA ILE 55 -9.953 2.865 -5.860 416 HB ILE 55 HB ILE 55 -9.699 0.973 -8.215 417 1HG1 ILE 55 2HG1 ILE 55 -10.151 -0.100 -5.935 418 2HG1 ILE 55 1HG1 ILE 55 -8.657 -0.589 -6.732 419 1HG2 ILE 55 3HG2 ILE 55 -7.803 2.743 -6.678 420 2HG2 ILE 55 2HG2 ILE 55 -7.213 1.319 -7.535 421 3HG2 ILE 55 1HG2 ILE 55 -8.019 2.612 -8.423 422 1HD1 ILE 55 1HD1 ILE 55 -8.487 1.795 -4.964 423 2HD1 ILE 55 3HD1 ILE 55 -8.733 0.242 -4.164 424 3HD1 ILE 55 2HD1 ILE 55 -7.329 0.487 -5.204 425 H ALA 56 H ALA 56 -8.843 4.242 -7.617 426 HA ALA 56 HA ALA 56 -10.972 5.369 -9.384 427 1HB ALA 56 3HB ALA 56 -9.248 6.601 -7.525 428 2HB ALA 56 2HB ALA 56 -8.630 7.051 -9.114 429 3HB ALA 56 1HB ALA 56 -10.305 7.405 -8.686 430 H GLU 57 H GLU 57 -7.387 5.279 -9.398 431 HA GLU 57 HA GLU 57 -7.311 3.852 -11.928 432 1HB GLU 57 2HB GLU 57 -7.604 6.695 -12.015 433 2HB GLU 57 1HB GLU 57 -5.968 6.300 -12.542 434 1HG GLU 57 2HG GLU 57 -6.857 5.784 -14.550 435 2HG GLU 57 1HG GLU 57 -7.568 4.369 -13.773 436 H ILE 58 H ILE 58 -5.244 3.026 -12.278 437 HA ILE 58 HA ILE 58 -3.273 3.588 -10.134 438 HB ILE 58 HB ILE 58 -3.345 1.439 -12.275 439 1HG1 ILE 58 2HG1 ILE 58 -5.083 1.047 -10.662 440 2HG1 ILE 58 1HG1 ILE 58 -3.741 -0.017 -10.222 441 1HG2 ILE 58 3HG2 ILE 58 -1.044 2.070 -11.547 442 2HG2 ILE 58 2HG2 ILE 58 -1.512 1.750 -9.877 443 3HG2 ILE 58 1HG2 ILE 58 -1.482 0.433 -11.052 444 1HD1 ILE 58 3HD1 ILE 58 -2.968 1.715 -8.591 445 2HD1 ILE 58 2HD1 ILE 58 -4.408 2.662 -8.966 446 3HD1 ILE 58 1HD1 ILE 58 -4.567 1.077 -8.210 447 H VAL 59 H VAL 59 -1.554 4.894 -10.533 448 HA VAL 59 HA VAL 59 -1.075 5.802 -13.304 449 HB VAL 59 HB VAL 59 0.316 6.658 -10.748 450 1HG1 VAL 59 3HG1 VAL 59 0.999 7.136 -13.368 451 2HG1 VAL 59 2HG1 VAL 59 -0.022 8.527 -13.001 452 3HG1 VAL 59 1HG1 VAL 59 1.404 8.196 -12.018 453 1HG2 VAL 59 1HG2 VAL 59 -2.369 7.197 -11.780 454 2HG2 VAL 59 3HG2 VAL 59 -1.684 7.568 -10.198 455 3HG2 VAL 59 2HG2 VAL 59 -1.431 8.673 -11.549 456 H LYS 60 H LYS 60 0.166 3.492 -11.104 457 HA LYS 60 HA LYS 60 2.721 3.334 -12.651 458 1HB LYS 60 2HB LYS 60 2.145 3.171 -9.843 459 2HB LYS 60 1HB LYS 60 2.787 1.618 -10.380 460 1HG LYS 60 2HG LYS 60 4.788 2.689 -10.031 461 2HG LYS 60 1HG LYS 60 4.491 3.250 -11.678 462 1HD LYS 60 2HD LYS 60 3.644 4.745 -9.179 463 2HD LYS 60 1HD LYS 60 5.093 5.108 -10.119 464 1HE LYS 60 2HE LYS 60 3.494 5.292 -12.144 465 2HE LYS 60 1HE LYS 60 2.205 5.388 -10.944 466 1HZ LYS 60 1HZ LYS 60 4.145 7.113 -10.057 467 2HZ LYS 60 3HZ LYS 60 4.084 7.375 -11.732 468 3HZ LYS 60 2HZ LYS 60 2.675 7.535 -10.797 469 H ASN 61 H ASN 61 2.998 1.576 -13.954 470 HA ASN 61 HA ASN 61 0.965 -0.599 -13.763 471 1HB ASN 61 2HB ASN 61 2.841 0.021 -16.062 472 2HB ASN 61 1HB ASN 61 1.461 -1.078 -16.084 473 1HD2 ASN 61 2HD2 ASN 61 0.824 2.752 -16.981 474 2HD2 ASN 61 1HD2 ASN 61 2.356 2.003 -17.002 475 H GLU 62 H GLU 62 1.829 -2.826 -14.302 476 HA GLU 62 HA GLU 62 4.035 -3.470 -12.572 477 1HB GLU 62 2HB GLU 62 2.852 -5.207 -14.757 478 2HB GLU 62 1HB GLU 62 3.728 -5.749 -13.326 479 1HG GLU 62 2HG GLU 62 1.969 -5.050 -11.865 480 2HG GLU 62 1HG GLU 62 1.165 -4.150 -13.156 481 H GLY 63 H GLY 63 6.193 -3.760 -13.051 482 1HA GLY 63 2HA GLY 63 8.058 -4.210 -14.513 483 2HA GLY 63 1HA GLY 63 7.027 -3.832 -15.898 484 H ASP 64 H ASP 64 6.452 -1.505 -13.596 485 HA ASP 64 HA ASP 64 8.359 0.345 -14.946 486 1HB ASP 64 2HB ASP 64 6.309 1.331 -15.279 487 2HB ASP 64 1HB ASP 64 5.608 0.640 -13.817 488 H THR 65 H THR 65 9.060 2.202 -13.446 489 HA THR 65 HA THR 65 10.082 0.968 -10.938 490 HB THR 65 HB THR 65 11.637 2.077 -12.629 491 HG1 THR 65 HG1 THR 65 12.849 2.311 -10.951 492 1HG2 THR 65 2HG2 THR 65 9.747 4.167 -12.318 493 2HG2 THR 65 1HG2 THR 65 11.260 4.741 -11.616 494 3HG2 THR 65 3HG2 THR 65 11.219 4.182 -13.289 495 H VAL 66 H VAL 66 10.059 2.302 -8.954 496 HA VAL 66 HA VAL 66 7.887 4.352 -8.938 497 HB VAL 66 HB VAL 66 7.234 3.397 -6.669 498 1HG1 VAL 66 1HG1 VAL 66 6.812 2.125 -9.332 499 2HG1 VAL 66 3HG1 VAL 66 6.256 1.227 -7.919 500 3HG1 VAL 66 2HG1 VAL 66 5.637 2.849 -8.232 501 1HG2 VAL 66 3HG2 VAL 66 9.542 1.915 -7.000 502 2HG2 VAL 66 2HG2 VAL 66 8.262 1.546 -5.845 503 3HG2 VAL 66 1HG2 VAL 66 8.283 0.752 -7.419 504 H LEU 67 H LEU 67 8.493 6.194 -7.886 505 HA LEU 67 HA LEU 67 11.116 6.185 -6.503 506 1HB LEU 67 2HB LEU 67 9.515 8.143 -7.978 507 2HB LEU 67 1HB LEU 67 10.152 8.789 -6.466 508 HG LEU 67 HG LEU 67 12.242 7.277 -7.638 509 1HD1 LEU 67 2HD1 LEU 67 10.814 9.105 -9.589 510 2HD1 LEU 67 1HD1 LEU 67 12.472 8.544 -9.806 511 3HD1 LEU 67 3HD1 LEU 67 11.142 7.384 -9.791 512 1HD2 LEU 67 2HD2 LEU 67 12.016 9.576 -6.284 513 2HD2 LEU 67 1HD2 LEU 67 13.429 9.227 -7.279 514 3HD2 LEU 67 3HD2 LEU 67 12.139 10.251 -7.908 515 H SER 68 H SER 68 11.216 7.598 -4.463 516 HA SER 68 HA SER 68 9.490 6.525 -2.466 517 1HB SER 68 2HB SER 68 11.711 7.435 -1.931 518 2HB SER 68 1HB SER 68 11.176 9.047 -2.397 519 HG SER 68 HG SER 68 9.788 9.073 -0.681 520 H GLY 69 H GLY 69 7.477 7.144 -1.814 521 1HA GLY 69 2HA GLY 69 5.565 8.490 -1.531 522 2HA GLY 69 1HA GLY 69 6.538 9.881 -2.009 523 H GLU 70 H GLU 70 6.340 7.046 -4.049 524 HA GLU 70 HA GLU 70 5.265 8.683 -6.225 525 1HB GLU 70 2HB GLU 70 7.007 6.896 -6.558 526 2HB GLU 70 1HB GLU 70 5.771 5.694 -6.179 527 1HG GLU 70 2HG GLU 70 5.158 5.740 -8.344 528 2HG GLU 70 1HG GLU 70 4.601 7.396 -8.093 529 H LEU 71 H LEU 71 3.145 8.763 -6.848 530 HA LEU 71 HA LEU 71 1.145 7.420 -5.201 531 1HB LEU 71 2HB LEU 71 0.797 9.716 -6.086 532 2HB LEU 71 1HB LEU 71 0.795 9.065 -7.726 533 HG LEU 71 HG LEU 71 -1.063 7.844 -5.726 534 1HD1 LEU 71 3HD1 LEU 71 -1.270 10.608 -6.886 535 2HD1 LEU 71 2HD1 LEU 71 -2.735 9.657 -6.648 536 3HD1 LEU 71 1HD1 LEU 71 -1.701 10.043 -5.272 537 1HD2 LEU 71 1HD2 LEU 71 -0.554 7.545 -8.441 538 2HD2 LEU 71 3HD2 LEU 71 -1.996 6.976 -7.600 539 3HD2 LEU 71 2HD2 LEU 71 -2.008 8.543 -8.411 540 H LEU 72 H LEU 72 0.409 5.394 -5.596 541 HA LEU 72 HA LEU 72 0.924 4.194 -8.264 542 1HB LEU 72 2HB LEU 72 -0.128 2.833 -5.768 543 2HB LEU 72 1HB LEU 72 0.554 2.062 -7.200 544 HG LEU 72 HG LEU 72 2.229 4.068 -5.743 545 1HD1 LEU 72 1HD1 LEU 72 1.053 1.957 -4.355 546 2HD1 LEU 72 3HD1 LEU 72 2.641 1.335 -4.803 547 3HD1 LEU 72 2HD1 LEU 72 2.509 2.829 -3.875 548 1HD2 LEU 72 2HD2 LEU 72 2.522 2.132 -7.830 549 2HD2 LEU 72 1HD2 LEU 72 3.738 3.242 -7.198 550 3HD2 LEU 72 3HD2 LEU 72 3.549 1.641 -6.483 551 H GLY 73 H GLY 73 -1.672 5.307 -6.217 552 1HA GLY 73 2HA GLY 73 -3.582 5.428 -8.292 553 2HA GLY 73 1HA GLY 73 -3.828 3.886 -7.465 554 H LYS 74 H LYS 74 -5.712 6.071 -7.470 555 HA LYS 74 HA LYS 74 -5.586 6.915 -4.603 556 1HB LYS 74 2HB LYS 74 -6.055 8.420 -6.971 557 2HB LYS 74 1HB LYS 74 -7.579 8.358 -6.085 558 1HG LYS 74 2HG LYS 74 -5.475 8.781 -4.196 559 2HG LYS 74 1HG LYS 74 -5.275 9.943 -5.508 560 1HD LYS 74 2HD LYS 74 -7.978 9.467 -4.261 561 2HD LYS 74 1HD LYS 74 -6.833 10.600 -3.542 562 1HE LYS 74 2HE LYS 74 -7.331 10.815 -6.479 563 2HE LYS 74 1HE LYS 74 -8.594 11.387 -5.389 564 1HZ LYS 74 1HZ LYS 74 -5.814 12.181 -4.886 565 2HZ LYS 74 3HZ LYS 74 -6.673 12.960 -6.124 566 3HZ LYS 74 2HZ LYS 74 -7.255 13.007 -4.528 567 H LEU 75 H LEU 75 -7.686 6.930 -3.465 568 HA LEU 75 HA LEU 75 -9.405 4.690 -4.410 569 1HB LEU 75 2HB LEU 75 -8.343 4.719 -2.072 570 2HB LEU 75 1HB LEU 75 -9.490 6.004 -1.688 571 HG LEU 75 HG LEU 75 -11.354 4.498 -2.384 572 1HD1 LEU 75 2HD1 LEU 75 -9.018 2.684 -2.906 573 2HD1 LEU 75 1HD1 LEU 75 -10.557 1.985 -2.404 574 3HD1 LEU 75 3HD1 LEU 75 -10.464 2.947 -3.879 575 1HD2 LEU 75 2HD2 LEU 75 -10.446 4.666 0.001 576 2HD2 LEU 75 1HD2 LEU 75 -11.353 3.199 -0.371 577 3HD2 LEU 75 3HD2 LEU 75 -9.590 3.158 -0.319 578 H THR 76 H THR 76 -11.773 4.952 -4.157 579 HA THR 76 HA THR 76 -12.607 7.648 -5.009 580 HB THR 76 HB THR 76 -13.420 5.384 -5.990 581 HG1 THR 76 HG1 THR 76 -15.687 6.454 -5.918 582 1HG2 THR 76 2HG2 THR 76 -14.048 4.642 -3.565 583 2HG2 THR 76 1HG2 THR 76 -15.507 5.593 -3.844 584 3HG2 THR 76 3HG2 THR 76 -15.130 4.228 -4.895 585 H GLU 77 H GLU 77 -15.236 7.512 -3.983 586 HA GLU 77 HA GLU 77 -14.818 8.737 -1.393 587 1HB GLU 77 2HB GLU 77 -17.316 7.931 -2.902 588 2HB GLU 77 1HB GLU 77 -17.360 8.738 -1.335 589 1HG GLU 77 2HG GLU 77 -15.987 9.815 -3.816 590 2HG GLU 77 1HG GLU 77 -17.544 10.364 -3.195 591 H GLY 78 H GLY 78 -17.404 6.390 -1.738 592 1HA GLY 78 2HA GLY 78 -17.411 4.139 -0.790 593 2HA GLY 78 1HA GLY 78 -16.052 4.609 0.233 594 H GLY 79 HN GLY 79 -17.310 7.206 0.925 595 1HA GLY 79 2HA GLY 79 -19.617 6.254 2.563 596 2HA GLY 79 1HA GLY 79 -18.295 7.134 3.330 No H/Q in entry = 596 Start of MODEL 25 1 1H ALA 1 3H ALA 1 -11.466 8.271 1.155 2 2H ALA 1 2H ALA 1 -11.255 9.916 1.526 3 3H ALA 1 1H ALA 1 -12.333 9.449 0.297 4 HA ALA 1 HA ALA 1 -10.534 8.652 -1.062 5 1HB ALA 1 2HB ALA 1 -10.127 11.430 0.082 6 2HB ALA 1 1HB ALA 1 -9.339 10.842 -1.382 7 3HB ALA 1 3HB ALA 1 -11.095 10.998 -1.327 8 H ILE 2 H ILE 2 -9.049 7.113 -0.422 9 HA ILE 2 HA ILE 2 -6.993 7.934 1.581 10 HB ILE 2 HB ILE 2 -7.405 5.128 0.551 11 1HG1 ILE 2 2HG1 ILE 2 -8.762 6.273 3.002 12 2HG1 ILE 2 1HG1 ILE 2 -9.567 6.202 1.434 13 1HG2 ILE 2 3HG2 ILE 2 -6.044 6.477 2.850 14 2HG2 ILE 2 2HG2 ILE 2 -6.694 4.857 3.102 15 3HG2 ILE 2 1HG2 ILE 2 -5.486 5.137 1.847 16 1HD1 ILE 2 3HD1 ILE 2 -8.487 3.657 1.723 17 2HD1 ILE 2 2HD1 ILE 2 -9.047 4.054 3.347 18 3HD1 ILE 2 1HD1 ILE 2 -10.174 4.097 1.991 19 H ASP 3 H ASP 3 -5.317 8.871 0.472 20 HA ASP 3 HA ASP 3 -4.584 8.038 -2.219 21 1HB ASP 3 2HB ASP 3 -4.272 10.369 -1.183 22 2HB ASP 3 1HB ASP 3 -2.878 9.683 -0.341 23 H ILE 4 H ILE 4 -3.228 6.386 -2.732 24 HA ILE 4 HA ILE 4 -1.677 5.129 -0.518 25 HB ILE 4 HB ILE 4 -2.173 3.957 -3.261 26 1HG1 ILE 4 2HG1 ILE 4 -3.868 3.543 -0.780 27 2HG1 ILE 4 1HG1 ILE 4 -4.328 4.606 -2.109 28 1HG2 ILE 4 3HG2 ILE 4 -1.503 2.804 -0.537 29 2HG2 ILE 4 2HG2 ILE 4 -1.884 1.833 -1.958 30 3HG2 ILE 4 1HG2 ILE 4 -0.447 2.856 -1.948 31 1HD1 ILE 4 1HD1 ILE 4 -3.731 1.645 -2.378 32 2HD1 ILE 4 3HD1 ILE 4 -5.346 2.354 -2.342 33 3HD1 ILE 4 2HD1 ILE 4 -4.252 2.719 -3.676 34 H LYS 5 H LYS 5 0.501 5.400 -0.504 35 HA LYS 5 HA LYS 5 1.860 6.019 -3.089 36 1HB LYS 5 2HB LYS 5 3.359 7.570 -1.712 37 2HB LYS 5 1HB LYS 5 1.719 8.148 -2.013 38 1HG LYS 5 2HG LYS 5 1.055 7.836 0.177 39 2HG LYS 5 1HG LYS 5 2.191 6.512 0.443 40 1HD LYS 5 2HD LYS 5 4.022 7.982 0.724 41 2HD LYS 5 1HD LYS 5 3.158 9.334 -0.007 42 1HE LYS 5 2HE LYS 5 1.660 8.345 2.247 43 2HE LYS 5 1HE LYS 5 3.317 8.689 2.744 44 1HZ LYS 5 2HZ LYS 5 2.164 10.680 1.007 45 2HZ LYS 5 1HZ LYS 5 1.373 10.532 2.503 46 3HZ LYS 5 3HZ LYS 5 3.034 10.871 2.454 47 H ALA 6 H ALA 6 4.186 5.475 -3.044 48 HA ALA 6 HA ALA 6 4.655 2.969 -1.646 49 1HB ALA 6 3HB ALA 6 6.014 4.590 -3.704 50 2HB ALA 6 2HB ALA 6 7.104 3.698 -2.643 51 3HB ALA 6 1HB ALA 6 5.870 2.838 -3.565 52 HA PRO 7 HA PRO 7 6.782 4.471 1.884 53 1HB PRO 7 2HB PRO 7 8.675 2.505 2.218 54 2HB PRO 7 1HB PRO 7 6.956 2.280 2.581 55 1HG PRO 7 2HG PRO 7 8.537 1.248 0.272 56 2HG PRO 7 1HG PRO 7 7.071 0.586 1.013 57 1HD PRO 7 2HD PRO 7 7.186 2.071 -1.396 58 2HD PRO 7 1HD PRO 7 5.715 1.687 -0.471 59 H THR 8 H THR 8 9.220 4.772 2.711 60 HA THR 8 HA THR 8 10.609 6.252 0.560 61 HB THR 8 HB THR 8 11.908 6.230 3.179 62 HG1 THR 8 HG1 THR 8 9.431 7.511 3.172 63 1HG2 THR 8 1HG2 THR 8 10.831 8.230 1.212 64 2HG2 THR 8 3HG2 THR 8 11.322 8.753 2.823 65 3HG2 THR 8 2HG2 THR 8 12.493 7.986 1.750 66 H PHE 9 H PHE 9 12.342 5.402 -0.486 67 HA PHE 9 HA PHE 9 13.375 2.783 0.330 68 1HB PHE 9 2HB PHE 9 14.308 4.617 -1.902 69 2HB PHE 9 1HB PHE 9 14.699 2.903 -1.719 70 HD1 PHE 9 HD2 PHE 9 11.980 5.326 -2.417 71 HD2 PHE 9 HD1 PHE 9 13.114 1.182 -2.295 72 HE1 PHE 9 HE2 PHE 9 9.898 4.720 -3.624 73 HE2 PHE 9 HE1 PHE 9 11.032 0.577 -3.501 74 HZ PHE 9 HZ PHE 9 9.424 2.346 -4.166 75 HA PRO 10 HA PRO 10 16.879 4.253 2.525 76 1HB PRO 10 2HB PRO 10 18.578 2.132 2.106 77 2HB PRO 10 1HB PRO 10 17.196 2.075 3.214 78 1HG PRO 10 2HG PRO 10 17.490 0.841 0.514 79 2HG PRO 10 1HG PRO 10 16.475 0.335 1.875 80 1HD PRO 10 2HD PRO 10 15.593 1.737 -0.422 81 2HD PRO 10 1HD PRO 10 14.675 1.516 1.085 82 H GLU 11 H GLU 11 19.360 4.558 2.192 83 HA GLU 11 HA GLU 11 19.799 6.013 -0.245 84 1HB GLU 11 2HB GLU 11 22.159 6.148 0.539 85 2HB GLU 11 1HB GLU 11 21.010 6.571 1.810 86 1HG GLU 11 2HG GLU 11 21.143 4.015 2.398 87 2HG GLU 11 1HG GLU 11 22.667 4.083 1.511 88 H SER 12 H SER 12 21.028 2.852 0.891 89 HA SER 12 HA SER 12 22.683 2.115 -1.178 90 1HB SER 12 2HB SER 12 22.556 0.110 -0.158 91 2HB SER 12 1HB SER 12 21.268 0.766 0.852 92 HG SER 12 HG SER 12 20.730 -1.161 -0.392 93 H ILE 13 H ILE 13 19.119 1.802 -1.211 94 HA ILE 13 HA ILE 13 19.215 1.165 -4.098 95 HB ILE 13 HB ILE 13 16.726 1.543 -2.427 96 1HG1 ILE 13 2HG1 ILE 13 18.110 -1.111 -2.794 97 2HG1 ILE 13 1HG1 ILE 13 18.519 -0.067 -1.432 98 1HG2 ILE 13 1HG2 ILE 13 17.398 0.602 -5.109 99 2HG2 ILE 13 3HG2 ILE 13 16.455 -0.584 -4.207 100 3HG2 ILE 13 2HG2 ILE 13 15.828 1.048 -4.440 101 1HD1 ILE 13 3HD1 ILE 13 15.721 -0.075 -1.495 102 2HD1 ILE 13 2HD1 ILE 13 16.177 -1.747 -1.818 103 3HD1 ILE 13 1HD1 ILE 13 16.745 -0.945 -0.353 104 H ALA 14 H ALA 14 17.658 2.414 -5.539 105 HA ALA 14 HA ALA 14 17.445 5.271 -4.690 106 1HB ALA 14 1HB ALA 14 18.569 4.158 -7.268 107 2HB ALA 14 3HB ALA 14 18.012 5.825 -7.124 108 3HB ALA 14 2HB ALA 14 19.350 5.254 -6.127 109 H ASP 15 H ASP 15 15.672 2.704 -5.310 110 HA ASP 15 HA ASP 15 13.268 4.015 -5.882 111 1HB ASP 15 2HB ASP 15 13.102 3.153 -8.375 112 2HB ASP 15 1HB ASP 15 13.844 4.715 -8.028 113 H GLY 16 H GLY 16 11.791 2.236 -7.303 114 1HA GLY 16 2HA GLY 16 12.518 -0.483 -6.356 115 2HA GLY 16 1HA GLY 16 10.984 0.198 -5.812 116 H THR 17 H THR 17 10.080 -1.716 -7.003 117 HA THR 17 HA THR 17 9.415 -0.906 -9.766 118 HB THR 17 HB THR 17 10.711 -3.556 -9.067 119 HG1 THR 17 HG1 THR 17 12.349 -2.429 -9.721 120 1HG2 THR 17 3HG2 THR 17 9.266 -2.661 -11.572 121 2HG2 THR 17 2HG2 THR 17 10.322 -4.071 -11.500 122 3HG2 THR 17 1HG2 THR 17 8.849 -4.022 -10.533 123 H VAL 18 H VAL 18 7.259 -1.233 -10.064 124 HA VAL 18 HA VAL 18 5.510 -2.164 -8.084 125 HB VAL 18 HB VAL 18 5.067 -2.389 -11.077 126 1HG1 VAL 18 1HG1 VAL 18 3.434 -3.516 -9.480 127 2HG1 VAL 18 3HG1 VAL 18 3.063 -1.907 -8.861 128 3HG1 VAL 18 2HG1 VAL 18 2.732 -2.301 -10.549 129 1HG2 VAL 18 3HG2 VAL 18 4.654 -0.068 -9.164 130 2HG2 VAL 18 2HG2 VAL 18 5.804 -0.130 -10.499 131 3HG2 VAL 18 1HG2 VAL 18 4.071 -0.109 -10.828 132 H ALA 19 H ALA 19 4.346 -4.188 -7.863 133 HA ALA 19 HA ALA 19 5.989 -6.516 -8.722 134 1HB ALA 19 2HB ALA 19 3.786 -6.312 -6.645 135 2HB ALA 19 1HB ALA 19 4.748 -7.753 -6.977 136 3HB ALA 19 3HB ALA 19 5.517 -6.313 -6.309 137 H THR 20 H THR 20 2.499 -6.291 -8.034 138 HA THR 20 HA THR 20 1.794 -6.835 -10.821 139 HB THR 20 HB THR 20 1.483 -8.975 -8.695 140 HG1 THR 20 HG1 THR 20 3.413 -9.194 -9.671 141 1HG2 THR 20 3HG2 THR 20 -0.552 -8.568 -10.189 142 2HG2 THR 20 2HG2 THR 20 0.464 -9.080 -11.537 143 3HG2 THR 20 1HG2 THR 20 0.120 -10.198 -10.218 144 H TRP 21 H TRP 21 -0.203 -5.953 -11.166 145 HA TRP 21 HA TRP 21 -1.735 -5.027 -8.831 146 1HB TRP 21 2HB TRP 21 -1.642 -4.435 -11.753 147 2HB TRP 21 1HB TRP 21 -3.166 -4.163 -10.914 148 HD1 TRP 21 HD1 TRP 21 0.294 -2.769 -11.335 149 HE1 TRP 21 HE1 TRP 21 0.536 -0.617 -9.924 150 HE3 TRP 21 HE3 TRP 21 -4.012 -3.000 -8.596 151 HZ2 TRP 21 HZ2 TRP 21 -0.880 0.800 -7.932 152 HZ3 TRP 21 HZ3 TRP 21 -4.541 -1.227 -6.941 153 HH2 TRP 21 HH2 TRP 21 -2.980 0.675 -6.605 154 H HIS 22 H HIS 22 -2.495 -7.140 -8.127 155 HA HIS 22 HA HIS 22 -3.776 -9.127 -9.584 156 1HB HIS 22 2HB HIS 22 -5.210 -8.218 -7.114 157 2HB HIS 22 1HB HIS 22 -4.766 -9.854 -7.617 158 HD1 HIS 22 HD1 HIS 22 -3.305 -6.731 -6.095 159 HD2 HIS 22 HD2 HIS 22 -2.215 -10.698 -6.752 160 HE1 HIS 22 HE1 HIS 22 -1.098 -7.064 -4.932 161 H LYS 23 H LYS 23 -5.572 -6.390 -8.118 162 HA LYS 23 HA LYS 23 -7.731 -6.843 -10.101 163 1HB LYS 23 2HB LYS 23 -7.600 -4.938 -7.742 164 2HB LYS 23 1HB LYS 23 -9.026 -5.266 -8.727 165 1HG LYS 23 2HG LYS 23 -7.529 -7.427 -7.226 166 2HG LYS 23 1HG LYS 23 -8.905 -6.561 -6.543 167 1HD LYS 23 2HD LYS 23 -10.349 -7.846 -7.693 168 2HD LYS 23 1HD LYS 23 -9.543 -7.454 -9.212 169 1HE LYS 23 2HE LYS 23 -7.786 -9.181 -8.605 170 2HE LYS 23 1HE LYS 23 -8.837 -9.671 -7.275 171 1HZ LYS 23 2HZ LYS 23 -10.348 -9.484 -9.642 172 2HZ LYS 23 1HZ LYS 23 -8.984 -10.455 -9.937 173 3HZ LYS 23 3HZ LYS 23 -10.050 -10.851 -8.678 174 H LYS 24 H LYS 24 -8.755 -4.380 -10.539 175 HA LYS 24 HA LYS 24 -6.482 -2.753 -11.597 176 1HB LYS 24 2HB LYS 24 -8.897 -3.820 -13.027 177 2HB LYS 24 1HB LYS 24 -8.218 -2.270 -13.525 178 1HG LYS 24 2HG LYS 24 -6.473 -4.709 -13.183 179 2HG LYS 24 1HG LYS 24 -7.316 -4.387 -14.699 180 1HD LYS 24 2HD LYS 24 -5.680 -2.217 -13.416 181 2HD LYS 24 1HD LYS 24 -4.882 -3.468 -14.368 182 1HE LYS 24 2HE LYS 24 -6.978 -2.800 -16.002 183 2HE LYS 24 1HE LYS 24 -6.606 -1.246 -15.256 184 1HZ LYS 24 1HZ LYS 24 -4.179 -1.930 -15.803 185 2HZ LYS 24 3HZ LYS 24 -4.909 -2.952 -16.943 186 3HZ LYS 24 2HZ LYS 24 -5.165 -1.274 -17.020 187 HA PRO 25 HA PRO 25 -8.638 0.693 -9.946 188 1HB PRO 25 2HB PRO 25 -7.969 2.638 -11.770 189 2HB PRO 25 1HB PRO 25 -6.838 1.990 -10.570 190 1HG PRO 25 2HG PRO 25 -6.971 1.463 -13.504 191 2HG PRO 25 1HG PRO 25 -5.576 1.391 -12.414 192 1HD PRO 25 2HD PRO 25 -7.032 -0.831 -13.379 193 2HD PRO 25 1HD PRO 25 -5.875 -0.851 -12.032 194 H GLY 26 H GLY 26 -10.877 0.483 -10.109 195 1HA GLY 26 2HA GLY 26 -12.650 1.921 -11.400 196 2HA GLY 26 1HA GLY 26 -12.135 0.934 -12.773 197 H GLU 27 H GLU 27 -11.745 -1.194 -10.428 198 HA GLU 27 HA GLU 27 -14.496 -2.276 -10.759 199 1HB GLU 27 2HB GLU 27 -13.528 -4.422 -10.102 200 2HB GLU 27 1HB GLU 27 -12.555 -3.712 -11.390 201 1HG GLU 27 2HG GLU 27 -10.744 -3.462 -10.045 202 2HG GLU 27 1HG GLU 27 -11.721 -2.900 -8.687 203 H ALA 28 H ALA 28 -14.820 -3.866 -8.599 204 HA ALA 28 HA ALA 28 -14.833 -1.905 -6.348 205 1HB ALA 28 1HB ALA 28 -16.977 -3.094 -7.336 206 2HB ALA 28 3HB ALA 28 -16.440 -4.439 -6.330 207 3HB ALA 28 2HB ALA 28 -16.808 -2.880 -5.593 208 H VAL 29 H VAL 29 -14.155 -2.611 -4.255 209 HA VAL 29 HA VAL 29 -12.722 -5.232 -4.198 210 HB VAL 29 HB VAL 29 -10.856 -4.211 -3.028 211 1HG1 VAL 29 3HG1 VAL 29 -11.195 -4.002 -5.628 212 2HG1 VAL 29 2HG1 VAL 29 -11.378 -2.284 -5.275 213 3HG1 VAL 29 1HG1 VAL 29 -9.883 -3.117 -4.849 214 1HG2 VAL 29 2HG2 VAL 29 -12.662 -1.797 -3.069 215 2HG2 VAL 29 1HG2 VAL 29 -11.807 -2.512 -1.702 216 3HG2 VAL 29 3HG2 VAL 29 -10.915 -1.605 -2.924 217 H LYS 30 H LYS 30 -11.899 -5.278 -1.605 218 HA LYS 30 HA LYS 30 -14.155 -4.466 0.123 219 1HB LYS 30 2HB LYS 30 -13.732 -7.199 -0.854 220 2HB LYS 30 1HB LYS 30 -13.797 -7.097 0.906 221 1HG LYS 30 2HG LYS 30 -15.927 -5.869 0.767 222 2HG LYS 30 1HG LYS 30 -15.864 -5.948 -0.994 223 1HD LYS 30 2HD LYS 30 -15.726 -8.495 -0.720 224 2HD LYS 30 1HD LYS 30 -16.195 -8.229 0.960 225 1HE LYS 30 2HE LYS 30 -17.805 -6.950 -1.226 226 2HE LYS 30 1HE LYS 30 -18.049 -8.660 -0.865 227 1HZ LYS 30 2HZ LYS 30 -17.924 -7.002 1.478 228 2HZ LYS 30 1HZ LYS 30 -19.213 -6.598 0.446 229 3HZ LYS 30 3HZ LYS 30 -19.068 -8.179 1.042 230 H ARG 31 H ARG 31 -13.364 -3.888 2.101 231 HA ARG 31 HA ARG 31 -10.706 -3.596 2.743 232 1HB ARG 31 2HB ARG 31 -12.673 -2.779 4.099 233 2HB ARG 31 1HB ARG 31 -12.799 -4.403 4.778 234 1HG ARG 31 2HG ARG 31 -10.131 -3.884 5.117 235 2HG ARG 31 1HG ARG 31 -10.829 -2.279 5.338 236 1HD ARG 31 2HD ARG 31 -12.036 -4.666 6.720 237 2HD ARG 31 1HD ARG 31 -10.639 -3.844 7.413 238 HE ARG 31 HE ARG 31 -12.005 -1.869 7.722 239 1HH1 ARG 31 2HH1 ARG 31 -13.827 -1.935 5.437 240 2HH1 ARG 31 1HH1 ARG 31 -15.321 -2.477 6.126 241 1HH2 ARG 31 1HH2 ARG 31 -13.849 -3.710 9.013 242 2HH2 ARG 31 2HH2 ARG 31 -15.333 -3.482 8.151 243 H ASP 32 H ASP 32 -9.086 -4.877 3.681 244 HA ASP 32 HA ASP 32 -8.021 -6.845 4.423 245 1HB ASP 32 2HB ASP 32 -10.363 -7.080 5.639 246 2HB ASP 32 1HB ASP 32 -10.621 -8.337 4.429 247 H GLU 33 H GLU 33 -8.371 -6.204 1.644 248 HA GLU 33 HA GLU 33 -8.214 -8.959 0.527 249 1HB GLU 33 2HB GLU 33 -10.479 -7.723 0.098 250 2HB GLU 33 1HB GLU 33 -9.542 -6.764 -1.048 251 1HG GLU 33 2HG GLU 33 -10.036 -8.440 -2.506 252 2HG GLU 33 1HG GLU 33 -8.727 -9.294 -1.691 253 H LEU 34 H LEU 34 -6.282 -9.158 -0.487 254 HA LEU 34 HA LEU 34 -4.315 -7.254 -0.764 255 1HB LEU 34 2HB LEU 34 -4.026 -9.672 -1.280 256 2HB LEU 34 1HB LEU 34 -4.893 -9.428 -2.797 257 HG LEU 34 HG LEU 34 -3.195 -7.864 -3.571 258 1HD1 LEU 34 2HD1 LEU 34 -2.534 -7.835 -0.736 259 2HD1 LEU 34 1HD1 LEU 34 -1.103 -8.117 -1.726 260 3HD1 LEU 34 3HD1 LEU 34 -2.092 -6.682 -1.996 261 1HD2 LEU 34 1HD2 LEU 34 -2.202 -10.493 -2.460 262 2HD2 LEU 34 3HD2 LEU 34 -2.631 -10.102 -4.125 263 3HD2 LEU 34 2HD2 LEU 34 -1.156 -9.444 -3.417 264 H ILE 35 H ILE 35 -3.676 -5.777 -2.421 265 HA ILE 35 HA ILE 35 -5.737 -5.228 -4.510 266 HB ILE 35 HB ILE 35 -4.297 -3.115 -2.882 267 1HG1 ILE 35 2HG1 ILE 35 -5.980 -4.423 -1.568 268 2HG1 ILE 35 1HG1 ILE 35 -6.443 -2.735 -1.784 269 1HG2 ILE 35 1HG2 ILE 35 -5.988 -3.116 -5.296 270 2HG2 ILE 35 3HG2 ILE 35 -6.501 -1.970 -4.057 271 3HG2 ILE 35 2HG2 ILE 35 -4.865 -1.889 -4.711 272 1HD1 ILE 35 3HD1 ILE 35 -7.442 -4.143 -4.034 273 2HD1 ILE 35 2HD1 ILE 35 -7.858 -5.100 -2.612 274 3HD1 ILE 35 1HD1 ILE 35 -8.370 -3.416 -2.723 275 H VAL 36 H VAL 36 -2.383 -4.680 -3.433 276 HA VAL 36 HA VAL 36 -1.411 -5.175 -6.139 277 HB VAL 36 HB VAL 36 -2.040 -2.848 -6.429 278 1HG1 VAL 36 2HG1 VAL 36 -2.134 -2.260 -4.027 279 2HG1 VAL 36 1HG1 VAL 36 -0.374 -2.330 -3.946 280 3HG1 VAL 36 3HG1 VAL 36 -1.164 -1.099 -4.933 281 1HG2 VAL 36 1HG2 VAL 36 0.928 -3.263 -5.967 282 2HG2 VAL 36 3HG2 VAL 36 0.051 -3.436 -7.488 283 3HG2 VAL 36 2HG2 VAL 36 0.258 -1.840 -6.764 284 H ASP 37 H ASP 37 0.837 -5.610 -6.135 285 HA ASP 37 HA ASP 37 2.036 -5.765 -3.405 286 1HB ASP 37 2HB ASP 37 2.248 -7.448 -5.868 287 2HB ASP 37 1HB ASP 37 3.656 -7.348 -4.812 288 H ILE 38 H ILE 38 4.302 -5.179 -3.187 289 HA ILE 38 HA ILE 38 5.257 -3.356 -5.362 290 HB ILE 38 HB ILE 38 5.662 -3.026 -2.373 291 1HG1 ILE 38 2HG1 ILE 38 3.310 -2.635 -3.228 292 2HG1 ILE 38 1HG1 ILE 38 4.070 -1.215 -2.509 293 1HG2 ILE 38 3HG2 ILE 38 6.560 -1.505 -4.813 294 2HG2 ILE 38 2HG2 ILE 38 6.357 -0.679 -3.268 295 3HG2 ILE 38 1HG2 ILE 38 7.509 -2.007 -3.414 296 1HD1 ILE 38 1HD1 ILE 38 4.571 -1.547 -5.400 297 2HD1 ILE 38 3HD1 ILE 38 2.889 -1.231 -4.975 298 3HD1 ILE 38 2HD1 ILE 38 4.149 -0.097 -4.490 299 H GLU 39 H GLU 39 7.517 -3.390 -5.768 300 HA GLU 39 HA GLU 39 8.909 -5.768 -4.615 301 1HB GLU 39 2HB GLU 39 8.501 -5.196 -7.234 302 2HB GLU 39 1HB GLU 39 10.048 -4.386 -6.982 303 1HG GLU 39 2HG GLU 39 11.128 -6.359 -6.988 304 2HG GLU 39 1HG GLU 39 10.095 -6.959 -5.689 305 H THR 40 H THR 40 10.185 -5.126 -2.935 306 HA THR 40 HA THR 40 11.515 -2.473 -3.074 307 HB THR 40 HB THR 40 11.950 -2.752 -0.711 308 HG1 THR 40 HG1 THR 40 11.214 -4.778 0.252 309 1HG2 THR 40 2HG2 THR 40 9.220 -3.430 -1.725 310 2HG2 THR 40 1HG2 THR 40 9.515 -3.514 0.012 311 3HG2 THR 40 3HG2 THR 40 9.767 -1.998 -0.853 312 H ASP 41 H ASP 41 13.651 -3.408 -1.236 313 HA ASP 41 HA ASP 41 15.768 -3.821 -2.945 314 1HB ASP 41 2HB ASP 41 15.571 -3.729 -0.267 315 2HB ASP 41 1HB ASP 41 15.827 -5.464 -0.462 316 H LYS 42 H LYS 42 14.429 -6.596 -1.124 317 HA LYS 42 HA LYS 42 14.462 -8.196 -3.621 318 1HB LYS 42 2HB LYS 42 16.102 -8.767 -1.149 319 2HB LYS 42 1HB LYS 42 15.640 -10.048 -2.271 320 1HG LYS 42 2HG LYS 42 16.583 -8.368 -4.083 321 2HG LYS 42 1HG LYS 42 17.477 -7.719 -2.706 322 1HD LYS 42 2HD LYS 42 18.572 -9.787 -2.303 323 2HD LYS 42 1HD LYS 42 17.443 -10.675 -3.327 324 1HE LYS 42 2HE LYS 42 18.368 -8.948 -5.159 325 2HE LYS 42 1HE LYS 42 19.776 -8.984 -4.096 326 1HZ LYS 42 1HZ LYS 42 19.137 -11.585 -4.274 327 2HZ LYS 42 3HZ LYS 42 18.717 -11.040 -5.824 328 3HZ LYS 42 2HZ LYS 42 20.298 -10.812 -5.244 329 H VAL 43 H VAL 43 12.450 -7.130 -1.621 330 HA VAL 43 HA VAL 43 11.121 -9.749 -1.114 331 HB VAL 43 HB VAL 43 11.143 -7.439 0.850 332 1HG1 VAL 43 1HG1 VAL 43 9.943 -10.211 0.830 333 2HG1 VAL 43 3HG1 VAL 43 10.236 -9.340 2.336 334 3HG1 VAL 43 2HG1 VAL 43 9.136 -8.672 1.130 335 1HG2 VAL 43 3HG2 VAL 43 12.632 -10.085 0.882 336 2HG2 VAL 43 2HG2 VAL 43 13.358 -8.483 0.750 337 3HG2 VAL 43 1HG2 VAL 43 12.546 -8.963 2.240 338 H VAL 44 H VAL 44 9.038 -9.744 -1.844 339 HA VAL 44 HA VAL 44 7.947 -7.200 -2.882 340 HB VAL 44 HB VAL 44 6.519 -9.838 -3.051 341 1HG1 VAL 44 1HG1 VAL 44 5.546 -7.683 -3.919 342 2HG1 VAL 44 3HG1 VAL 44 6.897 -7.591 -5.049 343 3HG1 VAL 44 2HG1 VAL 44 5.747 -8.924 -5.156 344 1HG2 VAL 44 2HG2 VAL 44 9.160 -9.138 -4.208 345 2HG2 VAL 44 1HG2 VAL 44 8.456 -10.724 -3.890 346 3HG2 VAL 44 3HG2 VAL 44 7.993 -9.827 -5.337 347 H MET 45 H MET 45 6.894 -5.995 -1.364 348 HA MET 45 HA MET 45 5.558 -7.249 0.917 349 1HB MET 45 2HB MET 45 5.941 -4.420 -0.041 350 2HB MET 45 1HB MET 45 4.787 -4.775 1.245 351 1HG MET 45 2HG MET 45 6.932 -6.198 2.114 352 2HG MET 45 1HG MET 45 7.748 -4.873 1.286 353 1HE MET 45 3HE MET 45 7.850 -5.789 4.127 354 2HE MET 45 2HE MET 45 7.279 -4.647 5.341 355 3HE MET 45 1HE MET 45 6.186 -5.882 4.721 356 H GLU 46 H GLU 46 3.223 -6.746 1.381 357 HA GLU 46 HA GLU 46 1.645 -6.913 -1.151 358 1HB GLU 46 2HB GLU 46 0.628 -7.669 1.588 359 2HB GLU 46 1HB GLU 46 0.045 -8.207 0.012 360 1HG GLU 46 2HG GLU 46 1.434 -9.973 0.090 361 2HG GLU 46 1HG GLU 46 2.818 -8.885 0.217 362 H VAL 47 H VAL 47 -0.149 -5.538 -1.420 363 HA VAL 47 HA VAL 47 -0.381 -3.352 0.612 364 HB VAL 47 HB VAL 47 -0.999 -3.095 -2.340 365 1HG1 VAL 47 2HG1 VAL 47 -0.499 -1.112 -0.100 366 2HG1 VAL 47 1HG1 VAL 47 -0.701 -0.671 -1.796 367 3HG1 VAL 47 3HG1 VAL 47 -2.034 -1.414 -0.913 368 1HG2 VAL 47 1HG2 VAL 47 1.399 -3.706 -1.970 369 2HG2 VAL 47 3HG2 VAL 47 1.205 -2.070 -2.602 370 3HG2 VAL 47 2HG2 VAL 47 1.554 -2.319 -0.891 371 H LEU 48 H LEU 48 -2.183 -4.042 1.751 372 HA LEU 48 HA LEU 48 -4.540 -5.029 0.259 373 1HB LEU 48 2HB LEU 48 -3.490 -5.353 2.928 374 2HB LEU 48 1HB LEU 48 -5.150 -4.760 3.009 375 HG LEU 48 HG LEU 48 -5.626 -6.583 1.198 376 1HD1 LEU 48 2HD1 LEU 48 -3.130 -7.036 0.946 377 2HD1 LEU 48 1HD1 LEU 48 -3.201 -7.809 2.530 378 3HD1 LEU 48 3HD1 LEU 48 -4.141 -8.461 1.188 379 1HD2 LEU 48 3HD2 LEU 48 -6.283 -6.499 3.701 380 2HD2 LEU 48 2HD2 LEU 48 -6.289 -8.077 2.914 381 3HD2 LEU 48 1HD2 LEU 48 -4.940 -7.616 3.953 382 H ALA 49 H ALA 49 -6.627 -3.991 0.483 383 HA ALA 49 HA ALA 49 -6.463 -1.091 0.450 384 1HB ALA 49 2HB ALA 49 -8.146 -2.832 -0.727 385 2HB ALA 49 1HB ALA 49 -9.109 -2.436 0.697 386 3HB ALA 49 3HB ALA 49 -8.597 -1.158 -0.404 387 H GLU 50 H GLU 50 -7.059 0.341 2.064 388 HA GLU 50 HA GLU 50 -7.407 -0.804 4.761 389 1HB GLU 50 2HB GLU 50 -6.277 1.590 3.679 390 2HB GLU 50 1HB GLU 50 -7.579 2.048 4.776 391 1HG GLU 50 2HG GLU 50 -6.101 -0.100 5.967 392 2HG GLU 50 1HG GLU 50 -4.964 1.146 5.454 393 H ALA 51 H ALA 51 -9.525 -0.520 2.432 394 HA ALA 51 HA ALA 51 -11.842 -0.477 4.003 395 1HB ALA 51 1HB ALA 51 -10.722 2.169 3.627 396 2HB ALA 51 3HB ALA 51 -12.319 2.065 2.885 397 3HB ALA 51 2HB ALA 51 -12.113 1.681 4.595 398 H ASP 52 H ASP 52 -13.742 -0.664 2.696 399 HA ASP 52 HA ASP 52 -13.184 -1.386 -0.078 400 1HB ASP 52 2HB ASP 52 -14.785 -2.812 0.752 401 2HB ASP 52 1HB ASP 52 -15.509 -1.588 1.787 402 H GLY 53 H GLY 53 -14.774 -0.530 -1.793 403 1HA GLY 53 2HA GLY 53 -16.236 1.726 -1.921 404 2HA GLY 53 1HA GLY 53 -14.626 2.423 -1.714 405 H VAL 54 H VAL 54 -14.225 3.254 -3.745 406 HA VAL 54 HA VAL 54 -14.115 1.269 -5.968 407 HB VAL 54 HB VAL 54 -15.350 4.033 -6.042 408 1HG1 VAL 54 1HG1 VAL 54 -14.059 2.408 -8.164 409 2HG1 VAL 54 3HG1 VAL 54 -15.636 3.087 -8.569 410 3HG1 VAL 54 2HG1 VAL 54 -14.317 4.150 -8.081 411 1HG2 VAL 54 3HG2 VAL 54 -16.410 1.453 -5.687 412 2HG2 VAL 54 2HG2 VAL 54 -17.312 2.918 -6.076 413 3HG2 VAL 54 1HG2 VAL 54 -16.748 1.860 -7.369 414 H ILE 55 H ILE 55 -12.115 1.279 -6.870 415 HA ILE 55 HA ILE 55 -10.067 3.094 -6.021 416 HB ILE 55 HB ILE 55 -10.090 1.383 -8.522 417 1HG1 ILE 55 2HG1 ILE 55 -10.689 0.202 -6.331 418 2HG1 ILE 55 1HG1 ILE 55 -9.283 -0.429 -7.186 419 1HG2 ILE 55 1HG2 ILE 55 -8.003 2.833 -6.931 420 2HG2 ILE 55 3HG2 ILE 55 -7.565 1.319 -7.724 421 3HG2 ILE 55 2HG2 ILE 55 -8.165 2.675 -8.680 422 1HD1 ILE 55 1HD1 ILE 55 -8.698 1.753 -5.282 423 2HD1 ILE 55 3HD1 ILE 55 -9.277 0.259 -4.543 424 3HD1 ILE 55 2HD1 ILE 55 -7.836 0.241 -5.560 425 H ALA 56 H ALA 56 -8.866 4.592 -7.484 426 HA ALA 56 HA ALA 56 -10.784 6.052 -9.238 427 1HB ALA 56 1HB ALA 56 -9.636 7.235 -7.296 428 2HB ALA 56 3HB ALA 56 -8.127 7.054 -8.190 429 3HB ALA 56 2HB ALA 56 -9.446 8.008 -8.870 430 H GLU 57 H GLU 57 -7.227 5.615 -9.193 431 HA GLU 57 HA GLU 57 -7.177 4.336 -11.784 432 1HB GLU 57 2HB GLU 57 -7.472 7.140 -11.839 433 2HB GLU 57 1HB GLU 57 -5.775 6.834 -12.209 434 1HG GLU 57 2HG GLU 57 -6.381 5.316 -14.004 435 2HG GLU 57 1HG GLU 57 -8.088 5.429 -13.575 436 H ILE 58 H ILE 58 -5.144 3.437 -12.131 437 HA ILE 58 HA ILE 58 -3.171 3.865 -9.961 438 HB ILE 58 HB ILE 58 -3.284 1.804 -12.185 439 1HG1 ILE 58 2HG1 ILE 58 -5.059 1.400 -10.617 440 2HG1 ILE 58 1HG1 ILE 58 -3.756 0.285 -10.190 441 1HG2 ILE 58 2HG2 ILE 58 -0.977 2.341 -11.388 442 2HG2 ILE 58 1HG2 ILE 58 -1.487 1.947 -9.746 443 3HG2 ILE 58 3HG2 ILE 58 -1.470 0.695 -10.988 444 1HD1 ILE 58 3HD1 ILE 58 -2.957 2.034 -8.528 445 2HD1 ILE 58 2HD1 ILE 58 -4.465 2.897 -8.834 446 3HD1 ILE 58 1HD1 ILE 58 -4.502 1.278 -8.136 447 H VAL 59 H VAL 59 -1.283 4.960 -10.298 448 HA VAL 59 HA VAL 59 -0.824 6.113 -12.980 449 HB VAL 59 HB VAL 59 0.501 6.575 -10.293 450 1HG1 VAL 59 2HG1 VAL 59 2.112 6.862 -12.154 451 2HG1 VAL 59 1HG1 VAL 59 0.986 7.964 -12.946 452 3HG1 VAL 59 3HG1 VAL 59 1.712 8.406 -11.401 453 1HG2 VAL 59 2HG2 VAL 59 -1.534 8.028 -11.976 454 2HG2 VAL 59 1HG2 VAL 59 -1.607 7.626 -10.262 455 3HG2 VAL 59 3HG2 VAL 59 -0.536 8.911 -10.821 456 H LYS 60 H LYS 60 0.763 3.936 -10.670 457 HA LYS 60 HA LYS 60 2.971 3.486 -12.597 458 1HB LYS 60 2HB LYS 60 2.672 3.307 -9.734 459 2HB LYS 60 1HB LYS 60 3.221 1.755 -10.369 460 1HG LYS 60 2HG LYS 60 5.164 3.145 -9.884 461 2HG LYS 60 1HG LYS 60 5.014 2.953 -11.632 462 1HD LYS 60 2HD LYS 60 3.474 5.234 -10.710 463 2HD LYS 60 1HD LYS 60 5.165 5.376 -10.222 464 1HE LYS 60 2HE LYS 60 4.439 4.570 -13.033 465 2HE LYS 60 1HE LYS 60 4.487 6.271 -12.568 466 1HZ LYS 60 3HZ LYS 60 6.770 4.778 -11.672 467 2HZ LYS 60 2HZ LYS 60 6.616 4.799 -13.364 468 3HZ LYS 60 1HZ LYS 60 6.700 6.259 -12.497 469 H ASN 61 H ASN 61 2.877 1.803 -14.001 470 HA ASN 61 HA ASN 61 0.711 -0.183 -13.700 471 1HB ASN 61 2HB ASN 61 2.621 0.572 -15.898 472 2HB ASN 61 1HB ASN 61 1.775 -0.974 -15.960 473 1HD2 ASN 61 2HD2 ASN 61 -0.286 2.488 -16.618 474 2HD2 ASN 61 1HD2 ASN 61 1.346 2.531 -16.124 475 H GLU 62 H GLU 62 1.471 -2.527 -14.413 476 HA GLU 62 HA GLU 62 3.367 -3.402 -12.390 477 1HB GLU 62 2HB GLU 62 2.243 -5.056 -14.663 478 2HB GLU 62 1HB GLU 62 2.827 -5.627 -13.100 479 1HG GLU 62 2HG GLU 62 0.977 -4.664 -11.943 480 2HG GLU 62 1HG GLU 62 0.496 -3.718 -13.355 481 H GLY 63 H GLY 63 5.388 -4.494 -12.817 482 1HA GLY 63 2HA GLY 63 7.432 -4.805 -13.931 483 2HA GLY 63 1HA GLY 63 6.527 -4.707 -15.446 484 H ASP 64 H ASP 64 6.062 -2.031 -13.369 485 HA ASP 64 HA ASP 64 7.824 -0.405 -15.141 486 1HB ASP 64 2HB ASP 64 5.764 0.599 -15.337 487 2HB ASP 64 1HB ASP 64 5.237 0.099 -13.731 488 H THR 65 H THR 65 8.731 1.591 -13.959 489 HA THR 65 HA THR 65 10.003 0.622 -11.443 490 HB THR 65 HB THR 65 10.813 3.042 -13.066 491 HG1 THR 65 HG1 THR 65 11.988 0.496 -13.293 492 1HG2 THR 65 1HG2 THR 65 11.997 1.370 -10.879 493 2HG2 THR 65 3HG2 THR 65 13.074 2.159 -12.030 494 3HG2 THR 65 2HG2 THR 65 11.969 3.125 -11.052 495 H VAL 66 H VAL 66 9.732 1.732 -9.520 496 HA VAL 66 HA VAL 66 7.928 4.119 -9.623 497 HB VAL 66 HB VAL 66 7.026 3.453 -7.498 498 1HG1 VAL 66 2HG1 VAL 66 6.650 2.008 -9.765 499 2HG1 VAL 66 1HG1 VAL 66 7.221 0.739 -8.681 500 3HG1 VAL 66 3HG1 VAL 66 5.793 1.683 -8.258 501 1HG2 VAL 66 3HG2 VAL 66 9.475 1.752 -7.450 502 2HG2 VAL 66 2HG2 VAL 66 8.705 2.649 -6.141 503 3HG2 VAL 66 1HG2 VAL 66 8.035 1.104 -6.664 504 H LEU 67 H LEU 67 8.251 5.506 -7.534 505 HA LEU 67 HA LEU 67 11.132 5.572 -6.767 506 1HB LEU 67 2HB LEU 67 9.470 7.831 -7.893 507 2HB LEU 67 1HB LEU 67 10.916 8.131 -6.928 508 HG LEU 67 HG LEU 67 11.420 6.112 -8.955 509 1HD1 LEU 67 1HD1 LEU 67 9.843 8.456 -9.736 510 2HD1 LEU 67 3HD1 LEU 67 11.365 8.332 -10.618 511 3HD1 LEU 67 2HD1 LEU 67 10.214 6.996 -10.655 512 1HD2 LEU 67 2HD2 LEU 67 12.988 7.668 -7.582 513 2HD2 LEU 67 1HD2 LEU 67 13.384 7.382 -9.276 514 3HD2 LEU 67 3HD2 LEU 67 12.597 8.886 -8.796 515 H SER 68 H SER 68 11.188 7.617 -5.031 516 HA SER 68 HA SER 68 9.697 6.626 -2.771 517 1HB SER 68 2HB SER 68 11.834 8.468 -3.227 518 2HB SER 68 1HB SER 68 10.598 9.293 -2.282 519 HG SER 68 HG SER 68 11.035 8.035 -0.651 520 H GLY 69 H GLY 69 7.944 7.642 -1.670 521 1HA GLY 69 2HA GLY 69 5.840 8.691 -1.651 522 2HA GLY 69 1HA GLY 69 6.729 10.093 -2.250 523 H GLU 70 H GLU 70 6.560 7.082 -4.047 524 HA GLU 70 HA GLU 70 5.417 8.508 -6.332 525 1HB GLU 70 2HB GLU 70 7.115 6.820 -6.755 526 2HB GLU 70 1HB GLU 70 6.158 5.597 -5.919 527 1HG GLU 70 2HG GLU 70 5.811 5.302 -8.293 528 2HG GLU 70 1HG GLU 70 4.331 5.984 -7.614 529 H LEU 71 H LEU 71 3.251 8.861 -6.411 530 HA LEU 71 HA LEU 71 1.347 7.424 -4.807 531 1HB LEU 71 2HB LEU 71 0.850 9.681 -5.561 532 2HB LEU 71 1HB LEU 71 0.975 9.184 -7.248 533 HG LEU 71 HG LEU 71 -0.864 7.395 -6.145 534 1HD1 LEU 71 2HD1 LEU 71 -0.820 9.852 -4.611 535 2HD1 LEU 71 1HD1 LEU 71 -2.364 9.676 -5.446 536 3HD1 LEU 71 3HD1 LEU 71 -1.799 8.406 -4.361 537 1HD2 LEU 71 1HD2 LEU 71 -1.018 9.851 -7.876 538 2HD2 LEU 71 3HD2 LEU 71 -1.240 8.160 -8.326 539 3HD2 LEU 71 2HD2 LEU 71 -2.498 9.005 -7.424 540 H LEU 72 H LEU 72 0.686 5.366 -5.160 541 HA LEU 72 HA LEU 72 1.073 4.141 -7.814 542 1HB LEU 72 2HB LEU 72 -0.197 2.805 -5.425 543 2HB LEU 72 1HB LEU 72 0.709 2.064 -6.746 544 HG LEU 72 HG LEU 72 1.988 4.049 -4.863 545 1HD1 LEU 72 3HD1 LEU 72 1.532 1.089 -4.534 546 2HD1 LEU 72 2HD1 LEU 72 2.954 1.859 -3.832 547 3HD1 LEU 72 1HD1 LEU 72 1.339 2.374 -3.343 548 1HD2 LEU 72 2HD2 LEU 72 2.936 3.261 -7.176 549 2HD2 LEU 72 1HD2 LEU 72 4.010 3.283 -5.777 550 3HD2 LEU 72 3HD2 LEU 72 3.299 1.764 -6.320 551 H GLY 73 H GLY 73 -1.523 5.355 -5.799 552 1HA GLY 73 2HA GLY 73 -3.369 5.593 -7.934 553 2HA GLY 73 1HA GLY 73 -3.713 4.067 -7.110 554 H LYS 74 H LYS 74 -5.677 5.950 -7.023 555 HA LYS 74 HA LYS 74 -5.510 6.925 -4.201 556 1HB LYS 74 2HB LYS 74 -6.658 8.323 -6.628 557 2HB LYS 74 1HB LYS 74 -7.041 8.809 -4.976 558 1HG LYS 74 2HG LYS 74 -4.521 8.956 -4.580 559 2HG LYS 74 1HG LYS 74 -4.336 8.812 -6.329 560 1HD LYS 74 2HD LYS 74 -6.291 10.751 -6.084 561 2HD LYS 74 1HD LYS 74 -5.217 11.109 -4.732 562 1HE LYS 74 2HE LYS 74 -3.662 11.952 -6.124 563 2HE LYS 74 1HE LYS 74 -3.661 10.470 -7.079 564 1HZ LYS 74 2HZ LYS 74 -5.785 11.349 -8.095 565 2HZ LYS 74 1HZ LYS 74 -5.395 12.846 -7.391 566 3HZ LYS 74 3HZ LYS 74 -4.351 12.149 -8.533 567 H LEU 75 H LEU 75 -7.237 6.327 -2.941 568 HA LEU 75 HA LEU 75 -9.322 4.662 -4.220 569 1HB LEU 75 2HB LEU 75 -8.075 4.006 -2.080 570 2HB LEU 75 1HB LEU 75 -9.020 5.254 -1.269 571 HG LEU 75 HG LEU 75 -10.797 3.685 -2.873 572 1HD1 LEU 75 2HD1 LEU 75 -8.951 2.113 -1.053 573 2HD1 LEU 75 1HD1 LEU 75 -10.490 1.503 -1.663 574 3HD1 LEU 75 3HD1 LEU 75 -9.182 1.877 -2.785 575 1HD2 LEU 75 1HD2 LEU 75 -10.371 3.963 0.119 576 2HD2 LEU 75 3HD2 LEU 75 -11.457 4.928 -0.882 577 3HD2 LEU 75 2HD2 LEU 75 -11.789 3.216 -0.619 578 H THR 76 H THR 76 -11.553 5.158 -4.075 579 HA THR 76 HA THR 76 -12.115 8.034 -3.547 580 HB THR 76 HB THR 76 -13.973 6.041 -4.858 581 HG1 THR 76 HG1 THR 76 -12.853 6.203 -6.623 582 1HG2 THR 76 1HG2 THR 76 -13.764 9.029 -4.637 583 2HG2 THR 76 3HG2 THR 76 -14.585 8.305 -6.020 584 3HG2 THR 76 2HG2 THR 76 -15.168 7.993 -4.385 585 H GLU 77 H GLU 77 -14.411 8.407 -2.612 586 HA GLU 77 HA GLU 77 -14.556 7.279 -0.008 587 1HB GLU 77 2HB GLU 77 -16.605 8.715 -1.710 588 2HB GLU 77 1HB GLU 77 -16.937 8.214 -0.050 589 1HG GLU 77 2HG GLU 77 -14.389 9.676 -0.486 590 2HG GLU 77 1HG GLU 77 -15.867 10.621 -0.671 591 H GLY 78 H GLY 78 -17.121 6.838 -2.459 592 1HA GLY 78 2HA GLY 78 -17.464 4.393 -3.180 593 2HA GLY 78 1HA GLY 78 -17.410 4.037 -1.453 594 H GLY 79 HN GLY 79 -19.644 3.626 -3.352 595 1HA GLY 79 2HA GLY 79 -21.719 4.962 -1.731 596 2HA GLY 79 1HA GLY 79 -21.743 5.312 -3.460 No H/Q in entry = 596
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