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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 | bmrb_id | cing | stage | position | program | type |
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11580 |
1rq8 ![]() ![]() |
5763 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -7.081 6.576 2.311 2 2H MET 1 2HT MET 1 -7.261 5.584 0.943 3 3H MET 1 3HT MET 1 -8.625 6.297 1.666 4 HA MET 1 HA MET 1 -7.690 8.525 1.093 5 1HB MET 1 2HB MET 1 -5.658 6.597 0.014 6 2HB MET 1 1HB MET 1 -5.887 8.143 -0.805 7 1HG MET 1 2HG MET 1 -5.807 8.849 1.879 8 2HG MET 1 1HG MET 1 -4.596 7.573 1.759 9 1HE MET 1 1HE MET 1 -5.471 11.089 -0.582 10 2HE MET 1 2HE MET 1 -4.571 11.778 0.767 11 3HE MET 1 3HE MET 1 -5.946 10.722 1.082 12 H LEU 2 H LEU 2 -7.677 5.678 -1.099 13 HA LEU 2 HA LEU 2 -9.235 7.128 -3.128 14 1HB LEU 2 2HB LEU 2 -7.407 5.428 -3.547 15 2HB LEU 2 1HB LEU 2 -8.551 4.205 -2.983 16 HG LEU 2 HG LEU 2 -9.627 6.098 -4.989 17 1HD1 LEU 2 1HD1 LEU 2 -7.486 4.048 -5.662 18 2HD1 LEU 2 2HD1 LEU 2 -7.436 5.780 -5.992 19 3HD1 LEU 2 3HD1 LEU 2 -8.579 4.750 -6.855 20 1HD2 LEU 2 1HD2 LEU 2 -10.671 4.020 -3.881 21 2HD2 LEU 2 2HD2 LEU 2 -9.645 3.093 -4.974 22 3HD2 LEU 2 3HD2 LEU 2 -10.849 4.202 -5.620 23 H THR 3 H THR 3 -11.239 6.662 -3.798 24 HA THR 3 HA THR 3 -12.968 5.186 -1.877 25 HB THR 3 HB THR 3 -12.750 7.895 -2.628 26 HG1 THR 3 HG1 THR 3 -13.459 7.646 -0.670 27 1HG2 THR 3 1HG2 THR 3 -14.885 8.507 -3.524 28 2HG2 THR 3 2HG2 THR 3 -15.501 6.864 -3.357 29 3HG2 THR 3 3HG2 THR 3 -14.270 7.224 -4.567 30 H GLY 4 H GLY 4 -15.059 4.503 -2.977 31 1HA GLY 4 2HA GLY 4 -14.696 2.675 -5.011 32 2HA GLY 4 1HA GLY 4 -16.242 3.467 -4.732 33 H LYS 5 H LYS 5 -16.340 5.781 -5.745 34 HA LYS 5 HA LYS 5 -16.207 5.604 -8.530 35 1HB LYS 5 2HB LYS 5 -16.379 8.113 -8.417 36 2HB LYS 5 1HB LYS 5 -17.514 7.263 -7.368 37 1HG LYS 5 2HG LYS 5 -16.147 7.674 -5.431 38 2HG LYS 5 1HG LYS 5 -14.832 8.305 -6.422 39 1HD LYS 5 2HD LYS 5 -15.981 10.209 -5.518 40 2HD LYS 5 1HD LYS 5 -16.453 10.098 -7.215 41 1HE LYS 5 2HE LYS 5 -18.533 8.914 -6.556 42 2HE LYS 5 1HE LYS 5 -18.070 9.078 -4.850 43 1HZ LYS 5 1HZ LYS 5 -18.670 11.223 -6.799 44 2HZ LYS 5 2HZ LYS 5 -17.787 11.530 -5.380 45 3HZ LYS 5 3HZ LYS 5 -19.382 10.952 -5.285 46 H GLN 6 H GLN 6 -13.570 6.619 -6.342 47 HA GLN 6 HA GLN 6 -11.917 7.728 -8.449 48 1HB GLN 6 2HB GLN 6 -11.306 6.601 -5.704 49 2HB GLN 6 1HB GLN 6 -10.216 7.624 -6.642 50 1HG GLN 6 2HG GLN 6 -11.921 9.424 -6.631 51 2HG GLN 6 1HG GLN 6 -12.981 8.402 -5.659 52 1HE2 GLN 6 1HE2 GLN 6 -12.738 10.302 -4.061 53 2HE2 GLN 6 2HE2 GLN 6 -11.400 10.279 -3.016 54 H LYS 7 H LYS 7 -12.273 4.550 -6.944 55 HA LYS 7 HA LYS 7 -9.989 3.237 -8.077 56 1HB LYS 7 2HB LYS 7 -11.216 2.278 -6.250 57 2HB LYS 7 1HB LYS 7 -12.740 2.372 -7.133 58 1HG LYS 7 2HG LYS 7 -10.567 0.821 -8.426 59 2HG LYS 7 1HG LYS 7 -11.284 0.104 -6.984 60 1HD LYS 7 2HD LYS 7 -13.148 -0.457 -8.111 61 2HD LYS 7 1HD LYS 7 -13.334 1.189 -8.720 62 1HE LYS 7 2HE LYS 7 -11.804 0.752 -10.550 63 2HE LYS 7 1HE LYS 7 -11.410 -0.848 -9.897 64 1HZ LYS 7 1HZ LYS 7 -13.982 0.102 -11.006 65 2HZ LYS 7 2HZ LYS 7 -13.918 -1.231 -9.955 66 3HZ LYS 7 3HZ LYS 7 -13.091 -1.275 -11.440 67 H ARG 8 H ARG 8 -13.390 3.411 -9.249 68 HA ARG 8 HA ARG 8 -13.047 1.803 -11.538 69 1HB ARG 8 2HB ARG 8 -15.093 3.055 -10.372 70 2HB ARG 8 1HB ARG 8 -14.784 4.238 -11.643 71 1HG ARG 8 2HG ARG 8 -14.837 2.313 -13.298 72 2HG ARG 8 1HG ARG 8 -15.432 1.301 -11.981 73 1HD ARG 8 2HD ARG 8 -16.821 3.910 -12.495 74 2HD ARG 8 1HD ARG 8 -17.155 2.540 -13.573 75 HE ARG 8 HE ARG 8 -17.468 2.411 -10.595 76 1HH1 ARG 8 1HH2 ARG 8 -17.495 0.529 -13.360 77 2HH1 ARG 8 2HH2 ARG 8 -19.069 -0.149 -13.104 78 1HH2 ARG 8 1HH1 ARG 8 -19.828 1.946 -10.446 79 2HH2 ARG 8 2HH1 ARG 8 -20.389 0.654 -11.453 80 H TYR 9 H TYR 9 -12.887 5.392 -11.382 81 HA TYR 9 HA TYR 9 -12.113 5.884 -14.061 82 1HB TYR 9 2HB TYR 9 -11.686 7.205 -11.392 83 2HB TYR 9 1HB TYR 9 -10.895 7.875 -12.820 84 HD1 TYR 9 HD1 TYR 9 -12.080 9.277 -14.288 85 HD2 TYR 9 HD2 TYR 9 -14.250 6.769 -11.557 86 HE1 TYR 9 HE1 TYR 9 -14.198 10.372 -14.966 87 HE2 TYR 9 HE2 TYR 9 -16.369 7.866 -12.236 88 HH TYR 9 HH TYR 9 -16.997 9.271 -14.720 89 H LEU 10 H LEU 10 -10.033 5.635 -11.202 90 HA LEU 10 HA LEU 10 -7.567 5.718 -12.652 91 1HB LEU 10 2HB LEU 10 -8.532 5.766 -10.006 92 2HB LEU 10 1HB LEU 10 -7.410 4.405 -10.086 93 HG LEU 10 HG LEU 10 -6.729 7.070 -11.292 94 1HD1 LEU 10 1HD1 LEU 10 -7.285 7.258 -8.814 95 2HD1 LEU 10 2HD1 LEU 10 -5.639 7.718 -9.250 96 3HD1 LEU 10 3HD1 LEU 10 -5.955 6.148 -8.518 97 1HD2 LEU 10 1HD2 LEU 10 -5.297 4.566 -10.411 98 2HD2 LEU 10 2HD2 LEU 10 -4.417 6.072 -10.671 99 3HD2 LEU 10 3HD2 LEU 10 -5.295 5.320 -12.004 100 H ARG 11 H ARG 11 -9.518 2.990 -11.449 101 HA ARG 11 HA ARG 11 -7.696 0.889 -11.740 102 1HB ARG 11 2HB ARG 11 -9.892 0.534 -10.844 103 2HB ARG 11 1HB ARG 11 -10.664 1.144 -12.306 104 1HG ARG 11 2HG ARG 11 -8.849 -1.202 -12.614 105 2HG ARG 11 1HG ARG 11 -10.402 -1.485 -11.825 106 1HD ARG 11 2HD ARG 11 -11.297 -0.023 -13.885 107 2HD ARG 11 1HD ARG 11 -9.839 -0.686 -14.649 108 HE ARG 11 HE ARG 11 -11.072 -2.828 -13.290 109 1HH1 ARG 11 1HH1 ARG 11 -12.804 -0.571 -15.034 110 2HH1 ARG 11 2HH1 ARG 11 -13.377 -1.670 -16.243 111 1HH2 ARG 11 1HH2 ARG 11 -11.359 -4.288 -15.196 112 2HH2 ARG 11 2HH2 ARG 11 -12.557 -3.774 -16.337 113 H SER 12 H SER 12 -9.578 2.566 -14.243 114 HA SER 12 HA SER 12 -8.740 0.832 -16.421 115 1HB SER 12 2HB SER 12 -9.703 3.692 -16.603 116 2HB SER 12 1HB SER 12 -9.981 2.376 -17.741 117 HG SER 12 HG SER 12 -11.444 1.506 -16.392 118 H LEU 13 H LEU 13 -7.616 3.921 -15.050 119 HA LEU 13 HA LEU 13 -5.765 4.692 -17.055 120 1HB LEU 13 2HB LEU 13 -5.935 4.956 -14.054 121 2HB LEU 13 1HB LEU 13 -4.611 5.684 -14.948 122 HG LEU 13 HG LEU 13 -7.004 6.908 -14.411 123 1HD1 LEU 13 1HD1 LEU 13 -4.704 7.322 -16.178 124 2HD1 LEU 13 2HD1 LEU 13 -5.500 8.451 -15.082 125 3HD1 LEU 13 3HD1 LEU 13 -6.148 8.189 -16.702 126 1HD2 LEU 13 1HD2 LEU 13 -7.157 5.953 -17.288 127 2HD2 LEU 13 2HD2 LEU 13 -8.213 7.149 -16.542 128 3HD2 LEU 13 3HD2 LEU 13 -8.252 5.476 -15.991 129 H ALA 14 H ALA 14 -5.168 2.646 -14.174 130 HA ALA 14 HA ALA 14 -2.402 2.095 -14.941 131 1HB ALA 14 1HB ALA 14 -2.648 1.845 -12.686 132 2HB ALA 14 2HB ALA 14 -3.145 0.206 -13.097 133 3HB ALA 14 3HB ALA 14 -4.362 1.452 -12.818 134 H HIS 15 H HIS 15 -5.413 0.840 -16.019 135 HA HIS 15 HA HIS 15 -4.749 -1.939 -16.342 136 1HB HIS 15 2HB HIS 15 -6.947 -0.330 -16.583 137 2HB HIS 15 1HB HIS 15 -6.586 -0.671 -18.276 138 HD1 HIS 15 HD1 HIS 15 -6.233 -3.336 -18.820 139 HD2 HIS 15 HD2 HIS 15 -8.267 -2.404 -15.302 140 HE1 HIS 15 HE1 HIS 15 -7.450 -5.442 -18.117 141 H ASN 16 H ASN 16 -4.578 0.809 -18.652 142 HA ASN 16 HA ASN 16 -3.421 -0.917 -20.731 143 1HB ASN 16 2HB ASN 16 -4.957 1.311 -20.710 144 2HB ASN 16 1HB ASN 16 -3.369 2.047 -20.928 145 1HD2 ASN 16 1HD2 ASN 16 -2.188 -0.163 -22.442 146 2HD2 ASN 16 2HD2 ASN 16 -2.946 -0.189 -23.960 147 H ILE 17 H ILE 17 -2.082 0.443 -17.991 148 HA ILE 17 HA ILE 17 0.430 1.301 -19.262 149 HB ILE 17 HB ILE 17 0.051 1.130 -16.323 150 1HG1 ILE 17 2HG1 ILE 17 -1.517 2.953 -18.176 151 2HG1 ILE 17 1HG1 ILE 17 -2.120 1.975 -16.845 152 1HG2 ILE 17 1HG2 ILE 17 1.130 3.428 -16.639 153 2HG2 ILE 17 2HG2 ILE 17 1.268 2.985 -18.335 154 3HG2 ILE 17 3HG2 ILE 17 2.078 2.021 -17.101 155 1HD1 ILE 17 1HD1 ILE 17 -0.261 4.339 -16.501 156 2HD1 ILE 17 2HD1 ILE 17 -1.057 3.427 -15.220 157 3HD1 ILE 17 3HD1 ILE 17 -2.012 4.419 -16.319 158 H ASP 18 H ASP 18 2.476 0.444 -18.154 159 HA ASP 18 HA ASP 18 2.219 -2.515 -17.806 160 1HB ASP 18 2HB ASP 18 3.854 -0.780 -19.381 161 2HB ASP 18 1HB ASP 18 4.902 -1.643 -18.255 162 HA PRO 19 HA PRO 19 3.742 -2.034 -13.642 163 1HB PRO 19 2HB PRO 19 4.477 -4.629 -13.209 164 2HB PRO 19 1HB PRO 19 2.788 -4.093 -13.208 165 1HG PRO 19 2HG PRO 19 4.287 -5.578 -15.264 166 2HG PRO 19 1HG PRO 19 2.570 -5.630 -14.847 167 1HD PRO 19 2HD PRO 19 3.665 -4.309 -17.032 168 2HD PRO 19 1HD PRO 19 2.048 -4.031 -16.353 169 H ILE 20 H ILE 20 5.760 -1.471 -12.853 170 HA ILE 20 HA ILE 20 8.125 -2.306 -14.473 171 HB ILE 20 HB ILE 20 9.194 -0.252 -13.815 172 1HG1 ILE 20 2HG1 ILE 20 8.221 -0.228 -11.469 173 2HG1 ILE 20 1HG1 ILE 20 8.371 1.331 -12.269 174 1HG2 ILE 20 1HG2 ILE 20 8.089 0.648 -15.527 175 2HG2 ILE 20 2HG2 ILE 20 6.873 1.221 -14.387 176 3HG2 ILE 20 3HG2 ILE 20 6.668 -0.340 -15.182 177 1HD1 ILE 20 1HD1 ILE 20 6.217 1.565 -11.561 178 2HD1 ILE 20 2HD1 ILE 20 5.935 -0.171 -11.494 179 3HD1 ILE 20 3HD1 ILE 20 5.850 0.672 -13.033 180 H PHE 21 H PHE 21 6.641 -2.593 -11.413 181 HA PHE 21 HA PHE 21 9.140 -3.757 -10.242 182 1HB PHE 21 2HB PHE 21 7.379 -3.585 -8.152 183 2HB PHE 21 1HB PHE 21 8.541 -2.328 -8.541 184 HD1 PHE 21 HD1 PHE 21 5.105 -3.404 -9.673 185 HD2 PHE 21 HD2 PHE 21 7.727 -0.177 -8.645 186 HE1 PHE 21 HE1 PHE 21 3.283 -1.781 -10.063 187 HE2 PHE 21 HE2 PHE 21 5.887 1.438 -9.013 188 HZ PHE 21 HZ PHE 21 3.677 0.637 -9.744 189 H GLN 22 H GLN 22 9.064 -5.991 -9.843 190 HA GLN 22 HA GLN 22 6.392 -7.317 -10.214 191 1HB GLN 22 2HB GLN 22 8.048 -7.444 -12.119 192 2HB GLN 22 1HB GLN 22 9.115 -8.350 -11.045 193 1HG GLN 22 2HG GLN 22 7.570 -10.151 -10.856 194 2HG GLN 22 1HG GLN 22 6.258 -9.196 -11.549 195 1HE2 GLN 22 1HE2 GLN 22 7.370 -8.123 -13.845 196 2HE2 GLN 22 2HE2 GLN 22 7.886 -9.356 -14.889 197 H ILE 23 H ILE 23 5.802 -8.644 -8.558 198 HA ILE 23 HA ILE 23 7.727 -9.190 -6.389 199 HB ILE 23 HB ILE 23 4.917 -8.728 -6.694 200 1HG1 ILE 23 2HG1 ILE 23 6.416 -9.384 -4.165 201 2HG1 ILE 23 1HG1 ILE 23 6.622 -7.860 -5.029 202 1HG2 ILE 23 1HG2 ILE 23 5.569 -11.472 -5.621 203 2HG2 ILE 23 2HG2 ILE 23 4.220 -10.961 -6.622 204 3HG2 ILE 23 3HG2 ILE 23 4.244 -10.549 -4.922 205 1HD1 ILE 23 1HD1 ILE 23 4.909 -7.804 -3.160 206 2HD1 ILE 23 2HD1 ILE 23 3.928 -8.902 -4.131 207 3HD1 ILE 23 3HD1 ILE 23 4.308 -7.289 -4.736 208 H GLY 24 H GLY 24 8.410 -11.281 -5.812 209 1HA GLY 24 2HA GLY 24 8.565 -13.220 -7.938 210 2HA GLY 24 1HA GLY 24 9.063 -13.495 -6.267 211 H LYS 25 H LYS 25 8.004 -15.676 -6.732 212 HA LYS 25 HA LYS 25 5.049 -15.617 -6.810 213 1HB LYS 25 2HB LYS 25 6.899 -17.996 -6.534 214 2HB LYS 25 1HB LYS 25 5.257 -17.980 -7.170 215 1HG LYS 25 2HG LYS 25 6.045 -17.593 -9.241 216 2HG LYS 25 1HG LYS 25 6.838 -16.121 -8.684 217 1HD LYS 25 2HD LYS 25 8.872 -17.106 -8.613 218 2HD LYS 25 1HD LYS 25 8.232 -18.564 -7.854 219 1HE LYS 25 2HE LYS 25 7.621 -19.519 -9.946 220 2HE LYS 25 1HE LYS 25 7.775 -17.964 -10.788 221 1HZ LYS 25 1HZ LYS 25 10.138 -17.944 -10.178 222 2HZ LYS 25 2HZ LYS 25 9.754 -19.280 -11.154 223 3HZ LYS 25 3HZ LYS 25 9.974 -19.481 -9.482 224 H GLY 26 H GLY 26 7.616 -15.971 -4.480 225 1HA GLY 26 2HA GLY 26 6.394 -17.466 -2.442 226 2HA GLY 26 1HA GLY 26 7.513 -16.136 -2.136 227 H GLY 27 H GLY 27 5.975 -14.023 -3.238 228 1HA GLY 27 2HA GLY 27 3.360 -13.616 -2.713 229 2HA GLY 27 1HA GLY 27 4.010 -13.684 -1.071 230 H ILE 28 H ILE 28 4.182 -11.594 -0.356 231 HA ILE 28 HA ILE 28 5.178 -9.549 -2.290 232 HB ILE 28 HB ILE 28 3.667 -9.452 0.339 233 1HG1 ILE 28 2HG1 ILE 28 3.006 -8.503 -2.462 234 2HG1 ILE 28 1HG1 ILE 28 2.405 -9.983 -1.726 235 1HG2 ILE 28 1HG2 ILE 28 5.451 -7.478 -0.731 236 2HG2 ILE 28 2HG2 ILE 28 4.409 -7.351 0.685 237 3HG2 ILE 28 3HG2 ILE 28 3.802 -6.883 -0.902 238 1HD1 ILE 28 1HD1 ILE 28 1.044 -8.836 -0.222 239 2HD1 ILE 28 2HD1 ILE 28 0.947 -7.801 -1.647 240 3HD1 ILE 28 3HD1 ILE 28 2.017 -7.367 -0.313 241 H ASN 29 H ASN 29 7.366 -9.228 -2.132 242 HA ASN 29 HA ASN 29 8.701 -9.717 0.495 243 1HB ASN 29 2HB ASN 29 9.215 -10.502 -2.137 244 2HB ASN 29 1HB ASN 29 10.397 -9.230 -1.831 245 1HD2 ASN 29 1HD2 ASN 29 9.898 -12.542 -1.469 246 2HD2 ASN 29 2HD2 ASN 29 11.024 -12.840 -0.234 247 H GLU 30 H GLU 30 9.685 -7.980 1.575 248 HA GLU 30 HA GLU 30 9.069 -5.290 0.919 249 1HB GLU 30 2HB GLU 30 9.796 -5.994 3.143 250 2HB GLU 30 1HB GLU 30 11.375 -6.464 2.508 251 1HG GLU 30 2HG GLU 30 11.914 -4.168 1.946 252 2HG GLU 30 1HG GLU 30 10.274 -3.639 2.324 253 H ASN 31 H ASN 31 11.989 -7.222 0.152 254 HA ASN 31 HA ASN 31 13.617 -5.244 -1.004 255 1HB ASN 31 2HB ASN 31 13.093 -8.159 -1.415 256 2HB ASN 31 1HB ASN 31 14.069 -7.339 -2.634 257 1HD2 ASN 31 1HD2 ASN 31 16.115 -8.245 -2.022 258 2HD2 ASN 31 2HD2 ASN 31 16.845 -7.930 -0.522 259 H MET 32 H MET 32 10.885 -7.014 -2.420 260 HA MET 32 HA MET 32 11.041 -5.748 -5.015 261 1HB MET 32 2HB MET 32 9.491 -7.714 -3.600 262 2HB MET 32 1HB MET 32 8.386 -6.567 -4.360 263 1HG MET 32 2HG MET 32 8.739 -7.587 -6.329 264 2HG MET 32 1HG MET 32 10.420 -7.072 -6.260 265 1HE MET 32 1HE MET 32 12.014 -10.066 -6.854 266 2HE MET 32 2HE MET 32 11.405 -8.501 -7.389 267 3HE MET 32 3HE MET 32 10.521 -9.970 -7.799 268 H ILE 33 H ILE 33 9.318 -5.069 -1.966 269 HA ILE 33 HA ILE 33 7.802 -2.856 -3.045 270 HB ILE 33 HB ILE 33 8.605 -3.577 -0.216 271 1HG1 ILE 33 2HG1 ILE 33 6.044 -4.024 -1.790 272 2HG1 ILE 33 1HG1 ILE 33 7.230 -5.271 -1.404 273 1HG2 ILE 33 1HG2 ILE 33 7.173 -1.283 -1.388 274 2HG2 ILE 33 2HG2 ILE 33 7.844 -1.471 0.231 275 3HG2 ILE 33 3HG2 ILE 33 6.244 -2.114 -0.139 276 1HD1 ILE 33 1HD1 ILE 33 5.161 -5.016 0.149 277 2HD1 ILE 33 2HD1 ILE 33 6.004 -3.600 0.776 278 3HD1 ILE 33 3HD1 ILE 33 6.750 -5.195 0.892 279 H LYS 34 H LYS 34 11.008 -3.236 -1.623 280 HA LYS 34 HA LYS 34 11.631 -0.572 -0.952 281 1HB LYS 34 2HB LYS 34 13.224 -2.844 -2.171 282 2HB LYS 34 1HB LYS 34 13.984 -1.339 -1.656 283 1HG LYS 34 2HG LYS 34 12.201 -2.321 0.402 284 2HG LYS 34 1HG LYS 34 13.374 -3.563 -0.039 285 1HD LYS 34 2HD LYS 34 14.693 -2.435 1.454 286 2HD LYS 34 1HD LYS 34 15.010 -1.411 0.052 287 1HE LYS 34 2HE LYS 34 12.577 -0.748 1.644 288 2HE LYS 34 1HE LYS 34 14.147 -0.383 2.388 289 1HZ LYS 34 1HZ LYS 34 13.416 1.440 0.967 290 2HZ LYS 34 2HZ LYS 34 13.315 0.385 -0.361 291 3HZ LYS 34 3HZ LYS 34 14.821 0.721 0.348 292 H GLN 35 H GLN 35 11.731 -2.273 -4.067 293 HA GLN 35 HA GLN 35 12.574 0.057 -5.615 294 1HB GLN 35 2HB GLN 35 11.850 -2.786 -5.994 295 2HB GLN 35 1HB GLN 35 11.463 -1.746 -7.366 296 1HG GLN 35 2HG GLN 35 13.825 -0.837 -7.214 297 2HG GLN 35 1HG GLN 35 14.161 -2.117 -6.046 298 1HE2 GLN 35 1HE2 GLN 35 14.650 -4.180 -6.878 299 2HE2 GLN 35 2HE2 GLN 35 14.512 -4.605 -8.516 300 H ILE 36 H ILE 36 9.486 -1.746 -5.217 301 HA ILE 36 HA ILE 36 7.787 -0.164 -6.818 302 HB ILE 36 HB ILE 36 7.308 -1.454 -4.124 303 1HG1 ILE 36 2HG1 ILE 36 6.521 -2.549 -6.801 304 2HG1 ILE 36 1HG1 ILE 36 8.164 -2.796 -6.203 305 1HG2 ILE 36 1HG2 ILE 36 5.351 -0.288 -4.307 306 2HG2 ILE 36 2HG2 ILE 36 4.935 -1.592 -5.419 307 3HG2 ILE 36 3HG2 ILE 36 5.536 -0.057 -6.046 308 1HD1 ILE 36 1HD1 ILE 36 6.225 -3.334 -4.125 309 2HD1 ILE 36 2HD1 ILE 36 7.464 -4.397 -4.792 310 3HD1 ILE 36 3HD1 ILE 36 5.880 -4.300 -5.559 311 H ASP 37 H ASP 37 8.818 0.254 -3.453 312 HA ASP 37 HA ASP 37 7.305 2.421 -2.595 313 1HB ASP 37 2HB ASP 37 9.929 1.203 -2.040 314 2HB ASP 37 1HB ASP 37 9.800 2.886 -1.534 315 H ASP 38 H ASP 38 10.577 2.645 -4.056 316 HA ASP 38 HA ASP 38 10.502 5.505 -4.416 317 1HB ASP 38 2HB ASP 38 12.478 3.855 -4.316 318 2HB ASP 38 1HB ASP 38 12.111 3.486 -6.002 319 H THR 39 H THR 39 9.713 2.752 -6.498 320 HA THR 39 HA THR 39 9.338 4.116 -8.983 321 HB THR 39 HB THR 39 7.856 1.743 -7.861 322 HG1 THR 39 HG1 THR 39 10.426 2.015 -9.026 323 1HG2 THR 39 1HG2 THR 39 7.783 1.102 -10.191 324 2HG2 THR 39 2HG2 THR 39 8.669 2.533 -10.666 325 3HG2 THR 39 3HG2 THR 39 7.040 2.672 -9.998 326 H LEU 40 H LEU 40 6.896 3.164 -6.522 327 HA LEU 40 HA LEU 40 4.756 4.628 -7.831 328 1HB LEU 40 2HB LEU 40 3.480 3.887 -5.893 329 2HB LEU 40 1HB LEU 40 4.542 2.573 -6.395 330 HG LEU 40 HG LEU 40 6.209 3.675 -4.664 331 1HD1 LEU 40 1HD1 LEU 40 5.337 5.382 -3.488 332 2HD1 LEU 40 2HD1 LEU 40 4.148 4.265 -2.816 333 3HD1 LEU 40 3HD1 LEU 40 3.776 5.172 -4.281 334 1HD2 LEU 40 1HD2 LEU 40 5.734 1.583 -3.921 335 2HD2 LEU 40 2HD2 LEU 40 4.052 1.696 -4.440 336 3HD2 LEU 40 3HD2 LEU 40 4.540 2.366 -2.883 337 H GLU 41 H GLU 41 7.034 5.323 -5.221 338 HA GLU 41 HA GLU 41 5.772 7.635 -4.127 339 1HB GLU 41 2HB GLU 41 7.614 6.474 -3.055 340 2HB GLU 41 1HB GLU 41 8.667 6.781 -4.436 341 1HG GLU 41 2HG GLU 41 8.830 9.084 -3.957 342 2HG GLU 41 1HG GLU 41 7.398 9.061 -2.926 343 H ASN 42 H ASN 42 7.442 7.119 -7.138 344 HA ASN 42 HA ASN 42 7.867 10.019 -7.595 345 1HB ASN 42 2HB ASN 42 9.576 8.358 -8.224 346 2HB ASN 42 1HB ASN 42 8.406 7.531 -9.255 347 1HD2 ASN 42 1HD2 ASN 42 10.824 9.921 -9.265 348 2HD2 ASN 42 2HD2 ASN 42 10.418 10.672 -10.732 349 H ARG 43 H ARG 43 5.951 7.311 -8.921 350 HA ARG 43 HA ARG 43 4.456 9.191 -10.678 351 1HB ARG 43 2HB ARG 43 5.292 6.442 -10.700 352 2HB ARG 43 1HB ARG 43 3.533 6.495 -10.827 353 1HG ARG 43 2HG ARG 43 3.571 7.646 -12.838 354 2HG ARG 43 1HG ARG 43 5.130 8.398 -12.497 355 1HD ARG 43 2HD ARG 43 5.583 5.587 -12.576 356 2HD ARG 43 1HD ARG 43 4.617 6.006 -14.005 357 HE ARG 43 HE ARG 43 6.807 7.878 -13.445 358 1HH1 ARG 43 1HH2 ARG 43 5.379 6.771 -16.059 359 2HH1 ARG 43 2HH2 ARG 43 6.759 6.076 -16.843 360 1HH2 ARG 43 1HH1 ARG 43 8.769 6.218 -14.021 361 2HH2 ARG 43 2HH1 ARG 43 8.675 5.761 -15.689 362 H GLU 44 H GLU 44 1.966 8.543 -10.756 363 HA GLU 44 HA GLU 44 0.973 8.639 -7.935 364 1HB GLU 44 2HB GLU 44 0.097 9.695 -10.606 365 2HB GLU 44 1HB GLU 44 -1.118 9.449 -9.351 366 1HG GLU 44 2HG GLU 44 -0.212 11.747 -9.266 367 2HG GLU 44 1HG GLU 44 0.192 10.851 -7.801 368 H LEU 45 H LEU 45 0.549 6.969 -11.038 369 HA LEU 45 HA LEU 45 -1.364 5.066 -9.732 370 1HB LEU 45 2HB LEU 45 -2.125 6.263 -11.744 371 2HB LEU 45 1HB LEU 45 -0.722 5.672 -12.633 372 HG LEU 45 HG LEU 45 -1.482 3.366 -12.429 373 1HD1 LEU 45 1HD1 LEU 45 -2.621 2.878 -10.532 374 2HD1 LEU 45 2HD1 LEU 45 -4.046 3.468 -11.385 375 3HD1 LEU 45 3HD1 LEU 45 -3.147 4.547 -10.318 376 1HD2 LEU 45 1HD2 LEU 45 -3.113 5.496 -13.602 377 2HD2 LEU 45 2HD2 LEU 45 -4.078 4.074 -13.207 378 3HD2 LEU 45 3HD2 LEU 45 -2.682 3.924 -14.274 379 H ILE 46 H ILE 46 -0.587 3.018 -9.298 380 HA ILE 46 HA ILE 46 1.857 2.154 -10.793 381 HB ILE 46 HB ILE 46 2.231 0.873 -8.492 382 1HG1 ILE 46 2HG1 ILE 46 1.032 3.420 -7.431 383 2HG1 ILE 46 1HG1 ILE 46 0.010 2.001 -7.660 384 1HG2 ILE 46 1HG2 ILE 46 3.285 3.117 -9.768 385 2HG2 ILE 46 2HG2 ILE 46 4.017 2.236 -8.429 386 3HG2 ILE 46 3HG2 ILE 46 3.013 3.649 -8.109 387 1HD1 ILE 46 1HD1 ILE 46 1.658 2.522 -5.453 388 2HD1 ILE 46 2HD1 ILE 46 2.518 1.288 -6.375 389 3HD1 ILE 46 3HD1 ILE 46 0.866 0.993 -5.834 390 H LYS 47 H LYS 47 1.550 0.375 -11.893 391 HA LYS 47 HA LYS 47 -0.599 -1.571 -11.111 392 1HB LYS 47 2HB LYS 47 0.139 -2.378 -13.589 393 2HB LYS 47 1HB LYS 47 -1.072 -1.127 -13.348 394 1HG LYS 47 2HG LYS 47 1.840 -0.386 -13.596 395 2HG LYS 47 1HG LYS 47 0.878 -0.706 -15.036 396 1HD LYS 47 2HD LYS 47 -0.653 1.059 -14.533 397 2HD LYS 47 1HD LYS 47 -0.021 1.251 -12.905 398 1HE LYS 47 2HE LYS 47 1.925 1.576 -15.147 399 2HE LYS 47 1HE LYS 47 0.746 2.873 -14.886 400 1HZ LYS 47 1HZ LYS 47 2.565 1.705 -12.855 401 2HZ LYS 47 2HZ LYS 47 1.325 2.815 -12.511 402 3HZ LYS 47 3HZ LYS 47 2.632 3.276 -13.491 403 H VAL 48 H VAL 48 0.502 -3.149 -9.803 404 HA VAL 48 HA VAL 48 3.342 -3.687 -10.444 405 HB VAL 48 HB VAL 48 1.586 -4.639 -8.142 406 1HG1 VAL 48 1HG1 VAL 48 4.462 -4.070 -7.837 407 2HG1 VAL 48 2HG1 VAL 48 4.042 -5.452 -8.850 408 3HG1 VAL 48 3HG1 VAL 48 3.486 -5.381 -7.176 409 1HG2 VAL 48 1HG2 VAL 48 3.439 -2.376 -7.677 410 2HG2 VAL 48 2HG2 VAL 48 1.826 -2.662 -7.027 411 3HG2 VAL 48 3HG2 VAL 48 2.017 -1.982 -8.639 412 H HIS 49 H HIS 49 4.086 -5.802 -10.905 413 HA HIS 49 HA HIS 49 1.999 -7.785 -11.714 414 1HB HIS 49 2HB HIS 49 3.875 -6.887 -13.223 415 2HB HIS 49 1HB HIS 49 4.988 -7.814 -12.217 416 HD1 HIS 49 HD1 HIS 49 4.482 -10.468 -12.093 417 HD2 HIS 49 HD2 HIS 49 2.571 -8.394 -15.162 418 HE1 HIS 49 HE1 HIS 49 3.699 -12.211 -13.755 419 H VAL 50 H VAL 50 1.506 -8.999 -9.867 420 HA VAL 50 HA VAL 50 3.737 -9.940 -8.117 421 HB VAL 50 HB VAL 50 0.707 -9.928 -7.883 422 1HG1 VAL 50 1HG1 VAL 50 0.834 -11.209 -6.018 423 2HG1 VAL 50 2HG1 VAL 50 2.276 -10.372 -5.442 424 3HG1 VAL 50 3HG1 VAL 50 2.425 -11.687 -6.607 425 1HG2 VAL 50 1HG2 VAL 50 1.530 -8.384 -5.878 426 2HG2 VAL 50 2HG2 VAL 50 1.334 -7.730 -7.505 427 3HG2 VAL 50 3HG2 VAL 50 2.937 -8.178 -6.922 428 H LEU 51 H LEU 51 4.277 -12.078 -7.961 429 HA LEU 51 HA LEU 51 3.092 -13.847 -9.976 430 1HB LEU 51 2HB LEU 51 5.634 -13.388 -8.662 431 2HB LEU 51 1HB LEU 51 5.241 -15.095 -8.778 432 HG LEU 51 HG LEU 51 6.478 -14.436 -10.769 433 1HD1 LEU 51 1HD1 LEU 51 4.258 -15.885 -10.859 434 2HD1 LEU 51 2HD1 LEU 51 5.078 -15.404 -12.346 435 3HD1 LEU 51 3HD1 LEU 51 3.662 -14.510 -11.790 436 1HD2 LEU 51 1HD2 LEU 51 4.283 -12.459 -11.390 437 2HD2 LEU 51 2HD2 LEU 51 5.878 -12.593 -12.130 438 3HD2 LEU 51 3HD2 LEU 51 5.719 -11.990 -10.481 439 H GLN 52 H GLN 52 1.712 -13.346 -7.328 440 HA GLN 52 HA GLN 52 2.044 -15.610 -5.608 441 1HB GLN 52 2HB GLN 52 0.457 -13.281 -5.809 442 2HB GLN 52 1HB GLN 52 -0.673 -14.630 -5.694 443 1HG GLN 52 2HG GLN 52 1.598 -14.004 -3.785 444 2HG GLN 52 1HG GLN 52 -0.128 -13.893 -3.446 445 1HE2 GLN 52 1HE2 GLN 52 -1.215 -16.234 -4.273 446 2HE2 GLN 52 2HE2 GLN 52 -0.459 -17.574 -3.556 447 H ASN 53 H ASN 53 0.685 -15.387 -8.757 448 HA ASN 53 HA ASN 53 -0.320 -17.011 -10.132 449 1HB ASN 53 2HB ASN 53 0.130 -18.896 -7.799 450 2HB ASN 53 1HB ASN 53 0.004 -19.311 -9.504 451 1HD2 ASN 53 1HD2 ASN 53 2.283 -19.035 -7.139 452 2HD2 ASN 53 2HD2 ASN 53 3.623 -18.571 -8.072 453 H ASN 54 H ASN 54 -1.376 -17.797 -6.776 454 HA ASN 54 HA ASN 54 -4.031 -18.529 -7.475 455 1HB ASN 54 2HB ASN 54 -2.431 -17.947 -5.117 456 2HB ASN 54 1HB ASN 54 -4.088 -17.381 -4.912 457 1HD2 ASN 54 1HD2 ASN 54 -5.846 -19.035 -5.339 458 2HD2 ASN 54 2HD2 ASN 54 -5.506 -20.673 -5.054 459 H PHE 55 H PHE 55 -5.982 -17.320 -7.500 460 HA PHE 55 HA PHE 55 -5.694 -14.492 -8.242 461 1HB PHE 55 2HB PHE 55 -7.782 -16.632 -8.258 462 2HB PHE 55 1HB PHE 55 -8.325 -14.955 -8.335 463 HD1 PHE 55 HD1 PHE 55 -6.628 -17.664 -10.102 464 HD2 PHE 55 HD2 PHE 55 -7.572 -13.476 -10.188 465 HE1 PHE 55 HE1 PHE 55 -6.035 -17.582 -12.508 466 HE2 PHE 55 HE2 PHE 55 -6.979 -13.392 -12.594 467 HZ PHE 55 HZ PHE 55 -6.209 -15.444 -13.755 468 H ASP 56 H ASP 56 -7.686 -16.243 -5.803 469 HA ASP 56 HA ASP 56 -8.485 -13.865 -4.433 470 1HB ASP 56 2HB ASP 56 -8.540 -16.800 -4.013 471 2HB ASP 56 1HB ASP 56 -8.789 -15.796 -2.585 472 H ASP 57 H ASP 57 -5.617 -15.680 -4.343 473 HA ASP 57 HA ASP 57 -4.734 -14.781 -1.698 474 1HB ASP 57 2HB ASP 57 -4.099 -16.933 -2.927 475 2HB ASP 57 1HB ASP 57 -3.095 -15.929 -3.973 476 H LYS 58 H LYS 58 -4.070 -13.955 -5.099 477 HA LYS 58 HA LYS 58 -2.053 -12.004 -4.740 478 1HB LYS 58 2HB LYS 58 -4.052 -12.821 -6.720 479 2HB LYS 58 1HB LYS 58 -3.698 -11.095 -6.799 480 1HG LYS 58 2HG LYS 58 -1.288 -11.585 -6.942 481 2HG LYS 58 1HG LYS 58 -1.632 -13.314 -6.852 482 1HD LYS 58 2HD LYS 58 -3.251 -12.102 -8.912 483 2HD LYS 58 1HD LYS 58 -1.552 -11.709 -9.176 484 1HE LYS 58 2HE LYS 58 -1.086 -13.837 -9.812 485 2HE LYS 58 1HE LYS 58 -1.909 -14.503 -8.387 486 1HZ LYS 58 1HZ LYS 58 -3.126 -13.612 -10.940 487 2HZ LYS 58 2HZ LYS 58 -4.040 -13.855 -9.528 488 3HZ LYS 58 3HZ LYS 58 -3.200 -15.153 -10.234 489 H LYS 59 H LYS 59 -5.575 -11.785 -4.417 490 HA LYS 59 HA LYS 59 -5.764 -8.941 -4.072 491 1HB LYS 59 2HB LYS 59 -7.659 -10.414 -4.581 492 2HB LYS 59 1HB LYS 59 -7.424 -11.279 -3.061 493 1HG LYS 59 2HG LYS 59 -7.692 -8.891 -1.990 494 2HG LYS 59 1HG LYS 59 -8.490 -8.509 -3.516 495 1HD LYS 59 2HD LYS 59 -10.358 -9.557 -2.835 496 2HD LYS 59 1HD LYS 59 -9.451 -11.047 -2.571 497 1HE LYS 59 2HE LYS 59 -10.226 -10.603 -0.403 498 2HE LYS 59 1HE LYS 59 -8.656 -9.775 -0.369 499 1HZ LYS 59 1HZ LYS 59 -9.885 -7.795 -1.297 500 2HZ LYS 59 2HZ LYS 59 -10.220 -8.178 0.324 501 3HZ LYS 59 3HZ LYS 59 -11.324 -8.597 -0.896 502 H GLU 60 H GLU 60 -5.503 -11.641 -1.728 503 HA GLU 60 HA GLU 60 -5.502 -10.162 0.683 504 1HB GLU 60 2HB GLU 60 -5.181 -12.767 -0.123 505 2HB GLU 60 1HB GLU 60 -3.558 -12.384 0.451 506 1HG GLU 60 2HG GLU 60 -4.558 -11.546 2.584 507 2HG GLU 60 1HG GLU 60 -6.140 -12.079 2.011 508 H LEU 61 H LEU 61 -2.832 -10.879 -1.573 509 HA LEU 61 HA LEU 61 -0.681 -9.779 -0.095 510 1HB LEU 61 2HB LEU 61 -1.374 -10.285 -2.948 511 2HB LEU 61 1HB LEU 61 -0.015 -9.200 -2.647 512 HG LEU 61 HG LEU 61 0.894 -10.964 -1.059 513 1HD1 LEU 61 1HD1 LEU 61 -1.233 -12.175 -0.746 514 2HD1 LEU 61 2HD1 LEU 61 0.026 -13.250 -1.354 515 3HD1 LEU 61 3HD1 LEU 61 -1.216 -12.640 -2.447 516 1HD2 LEU 61 1HD2 LEU 61 0.566 -11.970 -3.896 517 2HD2 LEU 61 2HD2 LEU 61 1.947 -12.188 -2.823 518 3HD2 LEU 61 3HD2 LEU 61 1.598 -10.597 -3.498 519 H ALA 62 H ALA 62 -3.071 -8.187 -2.230 520 HA ALA 62 HA ALA 62 -1.976 -5.560 -2.181 521 1HB ALA 62 1HB ALA 62 -4.924 -5.959 -1.966 522 2HB ALA 62 2HB ALA 62 -4.103 -6.739 -3.319 523 3HB ALA 62 3HB ALA 62 -4.006 -4.989 -3.118 524 H GLU 63 H GLU 63 -3.768 -7.419 0.210 525 HA GLU 63 HA GLU 63 -4.497 -5.314 1.980 526 1HB GLU 63 2HB GLU 63 -4.826 -7.999 1.880 527 2HB GLU 63 1HB GLU 63 -3.541 -7.900 3.085 528 1HG GLU 63 2HG GLU 63 -5.837 -6.025 3.393 529 2HG GLU 63 1HG GLU 63 -6.133 -7.726 3.755 530 H THR 64 H THR 64 -1.621 -7.123 1.506 531 HA THR 64 HA THR 64 -0.110 -5.731 3.635 532 HB THR 64 HB THR 64 0.634 -7.807 1.545 533 HG1 THR 64 HG1 THR 64 -0.449 -8.992 2.892 534 1HG2 THR 64 1HG2 THR 64 2.373 -7.942 3.741 535 2HG2 THR 64 2HG2 THR 64 2.238 -6.223 3.369 536 3HG2 THR 64 3HG2 THR 64 2.760 -7.357 2.122 537 H LEU 65 H LEU 65 -0.230 -5.909 0.079 538 HA LEU 65 HA LEU 65 2.008 -4.134 -0.388 539 1HB LEU 65 2HB LEU 65 -0.078 -5.580 -1.847 540 2HB LEU 65 1HB LEU 65 0.286 -4.018 -2.580 541 HG LEU 65 HG LEU 65 2.301 -6.175 -1.904 542 1HD1 LEU 65 1HD1 LEU 65 2.594 -6.119 -4.435 543 2HD1 LEU 65 2HD1 LEU 65 1.100 -5.184 -4.493 544 3HD1 LEU 65 3HD1 LEU 65 1.086 -6.828 -3.856 545 1HD2 LEU 65 1HD2 LEU 65 2.643 -3.390 -2.130 546 2HD2 LEU 65 2HD2 LEU 65 3.228 -4.074 -3.646 547 3HD2 LEU 65 3HD2 LEU 65 3.905 -4.621 -2.113 548 H SER 66 H SER 66 -1.547 -3.651 -0.595 549 HA SER 66 HA SER 66 -1.484 -0.849 -1.100 550 1HB SER 66 2HB SER 66 -3.366 -2.716 -1.060 551 2HB SER 66 1HB SER 66 -3.608 -2.134 0.585 552 HG SER 66 HG SER 66 -3.662 0.021 -0.435 553 H GLU 67 H GLU 67 -1.817 -2.593 2.031 554 HA GLU 67 HA GLU 67 -1.916 -0.265 3.683 555 1HB GLU 67 2HB GLU 67 -0.999 -3.123 4.095 556 2HB GLU 67 1HB GLU 67 -1.117 -1.964 5.421 557 1HG GLU 67 2HG GLU 67 -3.440 -2.468 3.560 558 2HG GLU 67 1HG GLU 67 -3.170 -3.467 4.987 559 H ALA 68 H ALA 68 0.826 -2.090 2.356 560 HA ALA 68 HA ALA 68 2.805 -0.550 3.895 561 1HB ALA 68 1HB ALA 68 4.334 -1.897 2.308 562 2HB ALA 68 2HB ALA 68 2.853 -2.659 1.728 563 3HB ALA 68 3HB ALA 68 3.326 -2.823 3.418 564 H THR 69 H THR 69 1.495 -0.588 0.597 565 HA THR 69 HA THR 69 3.401 1.366 -0.436 566 HB THR 69 HB THR 69 1.810 1.290 -2.384 567 HG1 THR 69 HG1 THR 69 -0.088 0.404 -2.154 568 1HG2 THR 69 1HG2 THR 69 1.970 -1.308 -2.611 569 2HG2 THR 69 2HG2 THR 69 2.846 -1.218 -1.082 570 3HG2 THR 69 3HG2 THR 69 3.462 -0.372 -2.501 571 H ARG 70 H ARG 70 0.923 1.739 1.776 572 HA ARG 70 HA ARG 70 -0.381 3.599 2.444 573 1HB ARG 70 2HB ARG 70 1.985 4.440 2.528 574 2HB ARG 70 1HB ARG 70 1.797 5.022 0.873 575 1HG ARG 70 2HG ARG 70 0.238 6.662 1.490 576 2HG ARG 70 1HG ARG 70 -0.170 5.842 2.997 577 1HD ARG 70 2HD ARG 70 2.553 6.333 3.274 578 2HD ARG 70 1HD ARG 70 1.942 7.801 2.483 579 HE ARG 70 HE ARG 70 0.243 7.953 4.300 580 1HH1 ARG 70 1HH1 ARG 70 0.269 5.276 5.460 581 2HH1 ARG 70 2HH1 ARG 70 1.303 5.439 6.839 582 1HH2 ARG 70 1HH2 ARG 70 2.723 8.411 5.757 583 2HH2 ARG 70 2HH2 ARG 70 2.691 7.214 7.008 584 H SER 71 H SER 71 -0.819 2.292 -0.238 585 HA SER 71 HA SER 71 -2.169 4.573 -1.641 586 1HB SER 71 2HB SER 71 -1.087 1.996 -2.798 587 2HB SER 71 1HB SER 71 -1.599 3.428 -3.686 588 HG SER 71 HG SER 71 0.702 2.971 -2.151 589 H GLU 72 H GLU 72 -3.879 3.308 -3.283 590 HA GLU 72 HA GLU 72 -5.401 1.363 -1.577 591 1HB GLU 72 2HB GLU 72 -6.020 4.054 -2.356 592 2HB GLU 72 1HB GLU 72 -7.163 2.966 -3.145 593 1HG GLU 72 2HG GLU 72 -6.522 2.986 -0.179 594 2HG GLU 72 1HG GLU 72 -7.982 3.652 -0.914 595 H LEU 73 H LEU 73 -5.824 -0.517 -2.700 596 HA LEU 73 HA LEU 73 -5.122 -0.997 -5.387 597 1HB LEU 73 2HB LEU 73 -6.187 -2.319 -3.125 598 2HB LEU 73 1HB LEU 73 -7.318 -2.635 -4.432 599 HG LEU 73 HG LEU 73 -4.415 -3.321 -4.228 600 1HD1 LEU 73 1HD1 LEU 73 -6.352 -4.858 -3.540 601 2HD1 LEU 73 2HD1 LEU 73 -5.264 -5.545 -4.747 602 3HD1 LEU 73 3HD1 LEU 73 -6.823 -4.885 -5.238 603 1HD2 LEU 73 1HD2 LEU 73 -5.958 -2.654 -6.677 604 2HD2 LEU 73 2HD2 LEU 73 -5.101 -4.192 -6.740 605 3HD2 LEU 73 3HD2 LEU 73 -4.217 -2.702 -6.441 606 H VAL 74 H VAL 74 -6.142 0.259 -7.056 607 HA VAL 74 HA VAL 74 -9.031 0.745 -6.934 608 HB VAL 74 HB VAL 74 -8.628 1.471 -9.355 609 1HG1 VAL 74 1HG1 VAL 74 -6.582 2.954 -7.877 610 2HG1 VAL 74 2HG1 VAL 74 -8.072 2.720 -6.963 611 3HG1 VAL 74 3HG1 VAL 74 -8.121 3.506 -8.539 612 1HG2 VAL 74 1HG2 VAL 74 -6.525 1.432 -10.293 613 2HG2 VAL 74 2HG2 VAL 74 -6.478 -0.067 -9.364 614 3HG2 VAL 74 3HG2 VAL 74 -5.714 1.391 -8.729 615 H GLN 75 H GLN 75 -6.820 -1.726 -8.101 616 HA GLN 75 HA GLN 75 -8.744 -3.749 -8.167 617 1HB GLN 75 2HB GLN 75 -8.859 -1.971 -10.443 618 2HB GLN 75 1HB GLN 75 -8.506 -3.619 -10.967 619 1HG GLN 75 2HG GLN 75 -10.611 -3.356 -8.897 620 2HG GLN 75 1HG GLN 75 -11.024 -2.718 -10.487 621 1HE2 GLN 75 1HE2 GLN 75 -11.624 -4.233 -12.070 622 2HE2 GLN 75 2HE2 GLN 75 -11.441 -5.912 -11.908 623 H VAL 76 H VAL 76 -8.197 -5.671 -9.348 624 HA VAL 76 HA VAL 76 -5.228 -5.966 -9.520 625 HB VAL 76 HB VAL 76 -7.451 -7.220 -8.011 626 1HG1 VAL 76 1HG1 VAL 76 -6.196 -9.387 -7.770 627 2HG1 VAL 76 2HG1 VAL 76 -5.092 -8.862 -9.042 628 3HG1 VAL 76 3HG1 VAL 76 -6.792 -9.146 -9.413 629 1HG2 VAL 76 1HG2 VAL 76 -5.927 -6.000 -6.717 630 2HG2 VAL 76 2HG2 VAL 76 -4.530 -6.608 -7.602 631 3HG2 VAL 76 3HG2 VAL 76 -5.389 -7.663 -6.481 632 H ILE 77 H ILE 77 -4.615 -6.696 -11.558 633 HA ILE 77 HA ILE 77 -6.683 -8.040 -13.240 634 HB ILE 77 HB ILE 77 -4.421 -6.121 -13.641 635 1HG1 ILE 77 2HG1 ILE 77 -6.116 -5.172 -15.245 636 2HG1 ILE 77 1HG1 ILE 77 -7.217 -6.460 -14.755 637 1HG2 ILE 77 1HG2 ILE 77 -3.598 -7.563 -15.248 638 2HG2 ILE 77 2HG2 ILE 77 -4.807 -6.699 -16.197 639 3HG2 ILE 77 3HG2 ILE 77 -5.173 -8.297 -15.547 640 1HD1 ILE 77 1HD1 ILE 77 -6.002 -5.025 -12.494 641 2HD1 ILE 77 2HD1 ILE 77 -7.688 -5.462 -12.773 642 3HD1 ILE 77 3HD1 ILE 77 -7.019 -4.009 -13.516 643 H GLY 78 H GLY 78 -6.331 -10.236 -12.728 644 1HA GLY 78 2HA GLY 78 -5.208 -12.297 -12.598 645 2HA GLY 78 1HA GLY 78 -4.328 -11.703 -14.005 646 H SER 79 H SER 79 -2.162 -11.544 -13.739 647 HA SER 79 HA SER 79 -1.001 -11.785 -11.036 648 1HB SER 79 2HB SER 79 0.531 -11.438 -13.597 649 2HB SER 79 1HB SER 79 0.925 -12.432 -12.198 650 HG SER 79 HG SER 79 -0.090 -13.332 -14.322 651 H MET 80 H MET 80 -2.294 -9.201 -12.370 652 HA MET 80 HA MET 80 0.002 -7.406 -11.695 653 1HB MET 80 2HB MET 80 -2.229 -7.221 -13.729 654 2HB MET 80 1HB MET 80 -1.221 -5.837 -13.304 655 1HG MET 80 2HG MET 80 0.210 -6.580 -14.889 656 2HG MET 80 1HG MET 80 0.635 -7.848 -13.739 657 1HE MET 80 1HE MET 80 0.881 -7.497 -16.594 658 2HE MET 80 2HE MET 80 -0.382 -8.042 -17.694 659 3HE MET 80 3HE MET 80 0.793 -9.197 -17.074 660 H ILE 81 H ILE 81 -0.430 -5.786 -10.177 661 HA ILE 81 HA ILE 81 -3.207 -5.727 -9.057 662 HB ILE 81 HB ILE 81 -0.489 -5.061 -7.865 663 1HG1 ILE 81 2HG1 ILE 81 -2.415 -7.348 -7.339 664 2HG1 ILE 81 1HG1 ILE 81 -0.909 -7.478 -8.247 665 1HG2 ILE 81 1HG2 ILE 81 -2.955 -5.405 -6.216 666 2HG2 ILE 81 2HG2 ILE 81 -2.763 -3.883 -7.085 667 3HG2 ILE 81 3HG2 ILE 81 -1.541 -4.394 -5.921 668 1HD1 ILE 81 1HD1 ILE 81 -1.255 -6.836 -5.314 669 2HD1 ILE 81 2HD1 ILE 81 0.262 -6.560 -6.171 670 3HD1 ILE 81 3HD1 ILE 81 -0.389 -8.194 -6.031 671 H VAL 82 H VAL 82 -4.274 -3.800 -9.145 672 HA VAL 82 HA VAL 82 -2.873 -1.446 -10.337 673 HB VAL 82 HB VAL 82 -5.871 -2.051 -10.067 674 1HG1 VAL 82 1HG1 VAL 82 -4.759 -0.532 -12.355 675 2HG1 VAL 82 2HG1 VAL 82 -4.567 0.272 -10.798 676 3HG1 VAL 82 3HG1 VAL 82 -6.171 -0.196 -11.361 677 1HG2 VAL 82 1HG2 VAL 82 -4.723 -3.867 -11.301 678 2HG2 VAL 82 2HG2 VAL 82 -3.904 -2.685 -12.319 679 3HG2 VAL 82 3HG2 VAL 82 -5.653 -2.871 -12.421 680 H ILE 83 H ILE 83 -2.185 -0.071 -8.725 681 HA ILE 83 HA ILE 83 -4.125 0.550 -6.515 682 HB ILE 83 HB ILE 83 -1.106 0.233 -6.421 683 1HG1 ILE 83 2HG1 ILE 83 -3.257 -1.514 -5.189 684 2HG1 ILE 83 1HG1 ILE 83 -2.476 -1.877 -6.727 685 1HG2 ILE 83 1HG2 ILE 83 -1.432 1.639 -4.664 686 2HG2 ILE 83 2HG2 ILE 83 -1.893 0.144 -3.852 687 3HG2 ILE 83 3HG2 ILE 83 -3.135 1.221 -4.493 688 1HD1 ILE 83 1HD1 ILE 83 -0.380 -2.226 -5.718 689 2HD1 ILE 83 2HD1 ILE 83 -1.508 -2.964 -4.580 690 3HD1 ILE 83 3HD1 ILE 83 -0.841 -1.364 -4.250 691 H TYR 84 H TYR 84 -3.914 2.688 -5.630 692 HA TYR 84 HA TYR 84 -2.484 4.630 -7.409 693 1HB TYR 84 2HB TYR 84 -4.851 4.778 -7.772 694 2HB TYR 84 1HB TYR 84 -5.190 4.692 -6.044 695 HD1 TYR 84 HD1 TYR 84 -5.802 6.695 -5.042 696 HD2 TYR 84 HD2 TYR 84 -3.044 6.770 -8.336 697 HE1 TYR 84 HE1 TYR 84 -5.683 9.166 -4.887 698 HE2 TYR 84 HE2 TYR 84 -2.925 9.242 -8.179 699 HH TYR 84 HH TYR 84 -4.021 10.969 -5.528 700 H ARG 85 H ARG 85 -0.766 5.335 -6.225 701 HA ARG 85 HA ARG 85 -0.777 5.425 -3.307 702 1HB ARG 85 2HB ARG 85 1.510 6.199 -3.621 703 2HB ARG 85 1HB ARG 85 1.195 4.890 -4.759 704 1HG ARG 85 2HG ARG 85 2.167 6.438 -6.185 705 2HG ARG 85 1HG ARG 85 0.472 6.899 -6.342 706 1HD ARG 85 2HD ARG 85 1.198 8.986 -5.764 707 2HD ARG 85 1HD ARG 85 1.277 8.338 -4.114 708 HE ARG 85 HE ARG 85 3.634 7.770 -5.783 709 1HH1 ARG 85 1HH2 ARG 85 3.668 7.877 -2.780 710 2HH1 ARG 85 2HH2 ARG 85 4.445 9.396 -2.483 711 1HH2 ARG 85 1HH1 ARG 85 3.959 10.580 -5.706 712 2HH2 ARG 85 2HH1 ARG 85 4.611 10.924 -4.138 713 H GLU 86 H GLU 86 -0.949 7.254 -2.012 714 HA GLU 86 HA GLU 86 -2.655 9.324 -2.438 715 1HB GLU 86 2HB GLU 86 -1.549 10.413 -0.607 716 2HB GLU 86 1HB GLU 86 -1.292 8.684 -0.385 717 1HG GLU 86 2HG GLU 86 0.879 9.238 -1.877 718 2HG GLU 86 1HG GLU 86 0.661 10.814 -1.117 719 H SER 87 H SER 87 -2.179 11.746 -2.726 720 HA SER 87 HA SER 87 -0.629 12.097 -5.209 721 1HB SER 87 2HB SER 87 -2.548 13.847 -3.645 722 2HB SER 87 1HB SER 87 -1.826 14.300 -5.186 723 HG SER 87 HG SER 87 -3.116 12.952 -6.185 724 H LYS 88 H LYS 88 1.093 13.519 -5.374 725 HA LYS 88 HA LYS 88 1.914 15.021 -2.971 726 1HB LYS 88 2HB LYS 88 2.880 12.546 -3.241 727 2HB LYS 88 1HB LYS 88 3.956 13.333 -4.397 728 1HG LYS 88 2HG LYS 88 5.156 14.313 -2.757 729 2HG LYS 88 1HG LYS 88 3.701 14.863 -1.924 730 1HD LYS 88 2HD LYS 88 4.478 13.362 -0.353 731 2HD LYS 88 1HD LYS 88 3.507 12.265 -1.337 732 1HE LYS 88 2HE LYS 88 5.347 11.094 -1.956 733 2HE LYS 88 1HE LYS 88 6.194 12.579 -2.437 734 1HZ LYS 88 1HZ LYS 88 6.880 12.986 -0.260 735 2HZ LYS 88 2HZ LYS 88 7.115 11.313 -0.441 736 3HZ LYS 88 3HZ LYS 88 5.764 11.896 0.407 737 H GLU 89 H GLU 89 2.716 13.981 -6.267 738 HA GLU 89 HA GLU 89 3.621 16.746 -6.939 739 1HB GLU 89 2HB GLU 89 4.234 13.961 -7.800 740 2HB GLU 89 1HB GLU 89 4.229 15.175 -9.079 741 1HG GLU 89 2HG GLU 89 5.721 16.584 -7.546 742 2HG GLU 89 1HG GLU 89 5.917 15.127 -6.572 743 H ASN 90 H ASN 90 2.116 17.922 -7.998 744 HA ASN 90 HA ASN 90 -0.479 17.086 -8.707 745 1HB ASN 90 2HB ASN 90 0.496 19.417 -8.339 746 2HB ASN 90 1HB ASN 90 1.088 19.333 -9.999 747 1HD2 ASN 90 1HD2 ASN 90 -1.519 20.413 -8.190 748 2HD2 ASN 90 2HD2 ASN 90 -2.708 20.403 -9.401 749 H LYS 91 H LYS 91 -0.046 15.071 -9.888 750 HA LYS 91 HA LYS 91 0.894 15.375 -12.697 751 1HB LYS 91 2HB LYS 91 1.020 13.380 -10.669 752 2HB LYS 91 1HB LYS 91 -0.029 12.740 -11.935 753 1HG LYS 91 2HG LYS 91 2.665 13.991 -12.516 754 2HG LYS 91 1HG LYS 91 2.452 12.262 -12.240 755 1HD LYS 91 2HD LYS 91 0.620 12.406 -14.069 756 2HD LYS 91 1HD LYS 91 1.362 13.951 -14.486 757 1HE LYS 91 2HE LYS 91 3.015 11.428 -14.230 758 2HE LYS 91 1HE LYS 91 2.250 11.899 -15.761 759 1HZ LYS 91 1HZ LYS 91 3.260 14.142 -15.416 760 2HZ LYS 91 2HZ LYS 91 4.386 12.907 -15.720 761 3HZ LYS 91 3HZ LYS 91 4.162 13.487 -14.139 762 H GLU 92 H GLU 92 -0.634 14.588 -14.424 763 HA GLU 92 HA GLU 92 -3.305 15.584 -14.069 764 1HB GLU 92 2HB GLU 92 -1.857 15.221 -16.186 765 2HB GLU 92 1HB GLU 92 -2.415 13.549 -16.123 766 1HG GLU 92 2HG GLU 92 -4.778 14.847 -15.818 767 2HG GLU 92 1HG GLU 92 -3.909 16.014 -16.816 768 H ILE 93 H ILE 93 -3.710 14.349 -12.014 769 HA ILE 93 HA ILE 93 -4.521 11.506 -12.434 770 HB ILE 93 HB ILE 93 -3.514 13.232 -10.178 771 1HG1 ILE 93 2HG1 ILE 93 -1.990 11.820 -11.547 772 2HG1 ILE 93 1HG1 ILE 93 -2.005 11.345 -9.849 773 1HG2 ILE 93 1HG2 ILE 93 -5.517 11.066 -9.905 774 2HG2 ILE 93 2HG2 ILE 93 -5.094 12.360 -8.782 775 3HG2 ILE 93 3HG2 ILE 93 -4.102 10.903 -8.866 776 1HD1 ILE 93 1HD1 ILE 93 -2.181 9.284 -10.985 777 2HD1 ILE 93 2HD1 ILE 93 -3.279 9.943 -12.198 778 3HD1 ILE 93 3HD1 ILE 93 -3.852 9.650 -10.558 779 H GLU 94 H GLU 94 -6.654 10.909 -12.014 780 HA GLU 94 HA GLU 94 -8.596 13.123 -11.424 781 1HB GLU 94 2HB GLU 94 -10.238 11.395 -12.344 782 2HB GLU 94 1HB GLU 94 -9.101 12.068 -13.509 783 1HG GLU 94 2HG GLU 94 -8.141 9.662 -12.094 784 2HG GLU 94 1HG GLU 94 -9.531 9.393 -13.146 785 H LEU 95 H LEU 95 -10.232 12.698 -9.840 786 HA LEU 95 HA LEU 95 -10.398 10.171 -8.516 787 1HB LEU 95 2HB LEU 95 -8.156 11.621 -7.867 788 2HB LEU 95 1HB LEU 95 -9.269 12.110 -6.590 789 HG LEU 95 HG LEU 95 -9.751 9.506 -6.477 790 1HD1 LEU 95 1HD1 LEU 95 -7.462 8.368 -6.830 791 2HD1 LEU 95 2HD1 LEU 95 -7.065 9.771 -7.824 792 3HD1 LEU 95 3HD1 LEU 95 -8.417 8.729 -8.268 793 1HD2 LEU 95 1HD2 LEU 95 -7.869 9.345 -4.795 794 2HD2 LEU 95 2HD2 LEU 95 -8.897 10.764 -4.591 795 3HD2 LEU 95 3HD2 LEU 95 -7.315 10.922 -5.355 796 HA PRO 96 HA PRO 96 -13.719 13.405 -7.809 797 1HB PRO 96 2HB PRO 96 -15.759 11.976 -8.940 798 2HB PRO 96 1HB PRO 96 -14.728 13.091 -9.860 799 1HG PRO 96 2HG PRO 96 -14.570 10.125 -9.632 800 2HG PRO 96 1HG PRO 96 -14.373 11.158 -11.058 801 1HD PRO 96 2HD PRO 96 -12.267 10.099 -9.736 802 2HD PRO 96 1HD PRO 96 -12.190 11.683 -10.542 Start of MODEL 2 1 1H MET 1 1HT MET 1 -6.867 9.519 0.421 2 2H MET 1 2HT MET 1 -7.413 9.142 1.985 3 3H MET 1 3HT MET 1 -8.517 9.641 0.795 4 HA MET 1 HA MET 1 -6.903 7.157 0.532 5 1HB MET 1 2HB MET 1 -9.605 7.729 1.770 6 2HB MET 1 1HB MET 1 -9.106 6.113 1.274 7 1HG MET 1 2HG MET 1 -7.757 5.860 3.075 8 2HG MET 1 1HG MET 1 -7.080 7.478 2.897 9 1HE MET 1 1HE MET 1 -9.201 9.596 3.191 10 2HE MET 1 2HE MET 1 -7.654 9.429 4.013 11 3HE MET 1 3HE MET 1 -9.102 9.789 4.947 12 H LEU 2 H LEU 2 -8.640 5.639 -0.728 13 HA LEU 2 HA LEU 2 -9.686 7.276 -2.999 14 1HB LEU 2 2HB LEU 2 -7.648 5.854 -3.422 15 2HB LEU 2 1HB LEU 2 -8.656 4.445 -3.079 16 HG LEU 2 HG LEU 2 -9.772 6.407 -5.009 17 1HD1 LEU 2 1HD1 LEU 2 -7.374 6.265 -5.677 18 2HD1 LEU 2 2HD1 LEU 2 -8.438 5.514 -6.864 19 3HD1 LEU 2 3HD1 LEU 2 -7.516 4.508 -5.745 20 1HD2 LEU 2 1HD2 LEU 2 -10.579 4.047 -4.113 21 2HD2 LEU 2 2HD2 LEU 2 -9.528 3.461 -5.401 22 3HD2 LEU 2 3HD2 LEU 2 -10.867 4.540 -5.777 23 H THR 3 H THR 3 -11.588 6.723 -3.916 24 HA THR 3 HA THR 3 -13.283 4.848 -2.325 25 HB THR 3 HB THR 3 -13.303 7.622 -2.633 26 HG1 THR 3 HG1 THR 3 -15.484 6.037 -1.788 27 1HG2 THR 3 1HG2 THR 3 -15.557 8.087 -3.583 28 2HG2 THR 3 2HG2 THR 3 -15.674 6.400 -4.086 29 3HG2 THR 3 3HG2 THR 3 -14.449 7.448 -4.797 30 H GLY 4 H GLY 4 -15.222 4.100 -3.624 31 1HA GLY 4 2HA GLY 4 -14.522 2.653 -5.903 32 2HA GLY 4 1HA GLY 4 -16.180 3.137 -5.552 33 H LYS 5 H LYS 5 -16.145 5.846 -5.880 34 HA LYS 5 HA LYS 5 -16.340 6.244 -8.665 35 1HB LYS 5 2HB LYS 5 -17.240 7.615 -6.730 36 2HB LYS 5 1HB LYS 5 -15.633 8.324 -6.584 37 1HG LYS 5 2HG LYS 5 -16.041 9.731 -8.289 38 2HG LYS 5 1HG LYS 5 -16.493 8.388 -9.340 39 1HD LYS 5 2HD LYS 5 -18.766 8.409 -8.472 40 2HD LYS 5 1HD LYS 5 -18.338 9.645 -7.288 41 1HE LYS 5 2HE LYS 5 -18.667 11.292 -8.808 42 2HE LYS 5 1HE LYS 5 -17.605 10.486 -9.980 43 1HZ LYS 5 1HZ LYS 5 -19.833 10.510 -10.848 44 2HZ LYS 5 2HZ LYS 5 -20.450 9.827 -9.419 45 3HZ LYS 5 3HZ LYS 5 -19.432 8.917 -10.432 46 H GLN 6 H GLN 6 -13.614 7.136 -6.493 47 HA GLN 6 HA GLN 6 -11.952 8.194 -8.594 48 1HB GLN 6 2HB GLN 6 -11.349 6.996 -5.871 49 2HB GLN 6 1HB GLN 6 -10.246 8.019 -6.794 50 1HG GLN 6 2HG GLN 6 -11.692 9.912 -6.602 51 2HG GLN 6 1HG GLN 6 -13.032 8.920 -6.024 52 1HE2 GLN 6 1HE2 GLN 6 -13.287 9.823 -3.917 53 2HE2 GLN 6 2HE2 GLN 6 -12.066 9.798 -2.740 54 H LYS 7 H LYS 7 -12.281 5.041 -7.029 55 HA LYS 7 HA LYS 7 -10.124 3.629 -8.229 56 1HB LYS 7 2HB LYS 7 -11.426 2.714 -6.423 57 2HB LYS 7 1HB LYS 7 -12.930 2.898 -7.322 58 1HG LYS 7 2HG LYS 7 -12.175 1.220 -8.954 59 2HG LYS 7 1HG LYS 7 -10.656 1.049 -8.077 60 1HD LYS 7 2HD LYS 7 -13.412 0.476 -6.945 61 2HD LYS 7 1HD LYS 7 -12.249 -0.745 -7.463 62 1HE LYS 7 2HE LYS 7 -11.329 -0.683 -5.395 63 2HE LYS 7 1HE LYS 7 -10.880 1.010 -5.677 64 1HZ LYS 7 1HZ LYS 7 -13.640 0.232 -4.952 65 2HZ LYS 7 2HZ LYS 7 -12.917 1.768 -4.858 66 3HZ LYS 7 3HZ LYS 7 -12.473 0.549 -3.762 67 H ARG 8 H ARG 8 -13.431 4.302 -9.409 68 HA ARG 8 HA ARG 8 -13.403 2.685 -11.734 69 1HB ARG 8 2HB ARG 8 -15.199 4.211 -10.547 70 2HB ARG 8 1HB ARG 8 -14.610 5.445 -11.662 71 1HG ARG 8 2HG ARG 8 -15.301 4.247 -13.559 72 2HG ARG 8 1HG ARG 8 -15.349 2.713 -12.689 73 1HD ARG 8 2HD ARG 8 -17.176 4.288 -11.296 74 2HD ARG 8 1HD ARG 8 -17.455 4.719 -12.995 75 HE ARG 8 HE ARG 8 -17.717 1.996 -11.845 76 1HH1 ARG 8 1HH2 ARG 8 -19.976 3.141 -13.333 77 2HH1 ARG 8 2HH2 ARG 8 -19.787 2.473 -14.920 78 1HH2 ARG 8 1HH1 ARG 8 -16.484 1.544 -14.427 79 2HH2 ARG 8 2HH1 ARG 8 -17.811 1.570 -15.539 80 H TYR 9 H TYR 9 -12.593 6.166 -11.482 81 HA TYR 9 HA TYR 9 -11.615 6.499 -14.146 82 1HB TYR 9 2HB TYR 9 -10.952 7.862 -11.517 83 2HB TYR 9 1HB TYR 9 -10.520 8.501 -13.103 84 HD1 TYR 9 HD1 TYR 9 -12.707 8.248 -14.826 85 HD2 TYR 9 HD2 TYR 9 -12.810 8.907 -10.582 86 HE1 TYR 9 HE1 TYR 9 -14.965 9.250 -15.036 87 HE2 TYR 9 HE2 TYR 9 -15.070 9.909 -10.794 88 HH TYR 9 HH TYR 9 -16.445 10.707 -13.863 89 H LEU 10 H LEU 10 -9.934 5.782 -11.104 90 HA LEU 10 HA LEU 10 -7.319 5.756 -12.344 91 1HB LEU 10 2HB LEU 10 -8.479 5.924 -9.798 92 2HB LEU 10 1HB LEU 10 -7.524 4.435 -9.772 93 HG LEU 10 HG LEU 10 -6.509 7.099 -10.776 94 1HD1 LEU 10 1HD1 LEU 10 -6.529 5.823 -8.083 95 2HD1 LEU 10 2HD1 LEU 10 -6.498 7.533 -8.516 96 3HD1 LEU 10 3HD1 LEU 10 -5.022 6.576 -8.595 97 1HD2 LEU 10 1HD2 LEU 10 -4.302 5.780 -10.440 98 2HD2 LEU 10 2HD2 LEU 10 -5.308 5.330 -11.818 99 3HD2 LEU 10 3HD2 LEU 10 -5.327 4.346 -10.355 100 H ARG 11 H ARG 11 -9.394 3.131 -11.022 101 HA ARG 11 HA ARG 11 -7.648 0.993 -11.448 102 1HB ARG 11 2HB ARG 11 -9.619 -0.375 -11.368 103 2HB ARG 11 1HB ARG 11 -9.981 1.048 -10.398 104 1HG ARG 11 2HG ARG 11 -11.865 1.176 -11.663 105 2HG ARG 11 1HG ARG 11 -10.806 1.851 -12.899 106 1HD ARG 11 2HD ARG 11 -10.384 -0.507 -13.715 107 2HD ARG 11 1HD ARG 11 -11.652 -1.049 -12.597 108 HE ARG 11 HE ARG 11 -12.869 1.029 -13.927 109 1HH1 ARG 11 1HH1 ARG 11 -12.515 -2.214 -14.377 110 2HH1 ARG 11 2HH1 ARG 11 -12.764 -2.213 -16.091 111 1HH2 ARG 11 1HH2 ARG 11 -12.593 1.239 -16.381 112 2HH2 ARG 11 2HH2 ARG 11 -12.808 -0.256 -17.226 113 H SER 12 H SER 12 -9.445 2.883 -13.797 114 HA SER 12 HA SER 12 -9.043 1.021 -16.026 115 1HB SER 12 2HB SER 12 -10.972 2.568 -15.778 116 2HB SER 12 1HB SER 12 -9.873 3.938 -15.911 117 HG SER 12 HG SER 12 -10.993 3.114 -17.892 118 H LEU 13 H LEU 13 -7.540 4.084 -14.924 119 HA LEU 13 HA LEU 13 -5.841 4.592 -17.131 120 1HB LEU 13 2HB LEU 13 -5.658 5.002 -14.146 121 2HB LEU 13 1HB LEU 13 -4.371 5.552 -15.205 122 HG LEU 13 HG LEU 13 -6.662 6.978 -14.506 123 1HD1 LEU 13 1HD1 LEU 13 -4.284 7.555 -15.516 124 2HD1 LEU 13 2HD1 LEU 13 -5.630 8.685 -15.663 125 3HD1 LEU 13 3HD1 LEU 13 -5.197 7.649 -17.021 126 1HD2 LEU 13 1HD2 LEU 13 -7.898 7.347 -16.580 127 2HD2 LEU 13 2HD2 LEU 13 -7.994 5.642 -16.147 128 3HD2 LEU 13 3HD2 LEU 13 -6.897 6.168 -17.423 129 H ALA 14 H ALA 14 -5.168 2.641 -14.220 130 HA ALA 14 HA ALA 14 -2.540 1.840 -14.716 131 1HB ALA 14 1HB ALA 14 -3.019 0.505 -12.964 132 2HB ALA 14 2HB ALA 14 -4.320 -0.312 -13.831 133 3HB ALA 14 3HB ALA 14 -4.629 1.223 -13.020 134 H HIS 15 H HIS 15 -5.516 0.748 -16.290 135 HA HIS 15 HA HIS 15 -4.704 -1.677 -17.461 136 1HB HIS 15 2HB HIS 15 -6.909 -0.166 -17.475 137 2HB HIS 15 1HB HIS 15 -6.280 0.302 -19.054 138 HD1 HIS 15 HD1 HIS 15 -7.078 -1.167 -20.889 139 HD2 HIS 15 HD2 HIS 15 -6.829 -3.245 -17.284 140 HE1 HIS 15 HE1 HIS 15 -7.862 -3.527 -21.367 141 H ASN 16 H ASN 16 -3.589 1.548 -18.184 142 HA ASN 16 HA ASN 16 -2.264 0.522 -20.673 143 1HB ASN 16 2HB ASN 16 -4.007 2.493 -20.557 144 2HB ASN 16 1HB ASN 16 -2.627 3.422 -19.972 145 1HD2 ASN 16 1HD2 ASN 16 -1.283 4.286 -21.565 146 2HD2 ASN 16 2HD2 ASN 16 -1.249 3.777 -23.184 147 H ILE 17 H ILE 17 -1.686 1.706 -17.468 148 HA ILE 17 HA ILE 17 0.946 2.807 -17.967 149 HB ILE 17 HB ILE 17 -0.191 1.806 -15.353 150 1HG1 ILE 17 2HG1 ILE 17 -1.006 4.157 -17.054 151 2HG1 ILE 17 1HG1 ILE 17 -2.019 3.063 -16.132 152 1HG2 ILE 17 1HG2 ILE 17 1.046 3.971 -14.651 153 2HG2 ILE 17 2HG2 ILE 17 1.819 3.834 -16.226 154 3HG2 ILE 17 3HG2 ILE 17 1.981 2.538 -15.043 155 1HD1 ILE 17 1HD1 ILE 17 -2.002 5.258 -15.065 156 2HD1 ILE 17 2HD1 ILE 17 -0.240 5.233 -14.987 157 3HD1 ILE 17 3HD1 ILE 17 -1.182 4.092 -14.026 158 H ASP 18 H ASP 18 2.782 1.734 -16.522 159 HA ASP 18 HA ASP 18 2.917 -1.124 -17.339 160 1HB ASP 18 2HB ASP 18 4.980 1.026 -16.817 161 2HB ASP 18 1HB ASP 18 5.409 -0.657 -17.127 162 HA PRO 19 HA PRO 19 2.992 -2.525 -13.164 163 1HB PRO 19 2HB PRO 19 4.744 -4.623 -13.372 164 2HB PRO 19 1HB PRO 19 3.060 -4.689 -13.933 165 1HG PRO 19 2HG PRO 19 5.551 -4.163 -15.498 166 2HG PRO 19 1HG PRO 19 4.172 -5.206 -15.894 167 1HD PRO 19 2HD PRO 19 4.419 -2.777 -16.988 168 2HD PRO 19 1HD PRO 19 2.825 -3.417 -16.519 169 H ILE 20 H ILE 20 3.971 -1.089 -11.810 170 HA ILE 20 HA ILE 20 6.434 0.150 -11.930 171 HB ILE 20 HB ILE 20 4.473 0.403 -10.349 172 1HG1 ILE 20 2HG1 ILE 20 7.351 0.573 -9.457 173 2HG1 ILE 20 1HG1 ILE 20 6.269 1.854 -10.001 174 1HG2 ILE 20 1HG2 ILE 20 5.990 -1.691 -8.775 175 2HG2 ILE 20 2HG2 ILE 20 4.448 -1.959 -9.588 176 3HG2 ILE 20 3HG2 ILE 20 4.549 -0.824 -8.244 177 1HD1 ILE 20 1HD1 ILE 20 5.928 0.294 -7.434 178 2HD1 ILE 20 2HD1 ILE 20 4.919 1.628 -7.985 179 3HD1 ILE 20 3HD1 ILE 20 6.603 1.917 -7.549 180 H PHE 21 H PHE 21 5.833 -3.029 -10.382 181 HA PHE 21 HA PHE 21 8.566 -3.895 -11.033 182 1HB PHE 21 2HB PHE 21 7.551 -3.246 -8.271 183 2HB PHE 21 1HB PHE 21 8.868 -4.399 -8.503 184 HD1 PHE 21 HD1 PHE 21 8.213 -1.136 -7.795 185 HD2 PHE 21 HD2 PHE 21 10.638 -3.459 -10.439 186 HE1 PHE 21 HE1 PHE 21 9.746 0.778 -8.045 187 HE2 PHE 21 HE2 PHE 21 12.186 -1.532 -10.712 188 HZ PHE 21 HZ PHE 21 11.728 0.600 -9.517 189 H GLN 22 H GLN 22 8.839 -6.237 -10.496 190 HA GLN 22 HA GLN 22 6.205 -7.633 -10.557 191 1HB GLN 22 2HB GLN 22 7.565 -9.486 -11.481 192 2HB GLN 22 1HB GLN 22 7.806 -7.997 -12.392 193 1HG GLN 22 2HG GLN 22 9.691 -7.984 -10.263 194 2HG GLN 22 1HG GLN 22 9.765 -9.578 -11.014 195 1HE2 GLN 22 1HE2 GLN 22 9.069 -6.364 -12.485 196 2HE2 GLN 22 2HE2 GLN 22 10.337 -6.439 -13.609 197 H ILE 23 H ILE 23 5.549 -8.795 -8.814 198 HA ILE 23 HA ILE 23 7.252 -8.988 -6.426 199 HB ILE 23 HB ILE 23 4.432 -9.171 -7.235 200 1HG1 ILE 23 2HG1 ILE 23 5.355 -7.339 -5.917 201 2HG1 ILE 23 1HG1 ILE 23 4.113 -8.187 -4.996 202 1HG2 ILE 23 1HG2 ILE 23 3.586 -10.707 -5.654 203 2HG2 ILE 23 2HG2 ILE 23 5.108 -10.776 -4.770 204 3HG2 ILE 23 3HG2 ILE 23 4.961 -11.566 -6.329 205 1HD1 ILE 23 1HD1 ILE 23 7.041 -8.055 -4.543 206 2HD1 ILE 23 2HD1 ILE 23 6.281 -9.620 -4.257 207 3HD1 ILE 23 3HD1 ILE 23 5.726 -8.196 -3.377 208 H GLY 24 H GLY 24 8.112 -10.945 -5.602 209 1HA GLY 24 2HA GLY 24 8.505 -13.108 -7.522 210 2HA GLY 24 1HA GLY 24 9.108 -13.077 -5.864 211 H LYS 25 H LYS 25 7.990 -15.433 -6.828 212 HA LYS 25 HA LYS 25 5.155 -15.577 -6.153 213 1HB LYS 25 2HB LYS 25 6.185 -16.977 -7.872 214 2HB LYS 25 1HB LYS 25 7.275 -17.678 -6.674 215 1HG LYS 25 2HG LYS 25 5.222 -18.451 -5.405 216 2HG LYS 25 1HG LYS 25 4.263 -17.954 -6.800 217 1HD LYS 25 2HD LYS 25 5.546 -19.469 -8.245 218 2HD LYS 25 1HD LYS 25 6.539 -19.952 -6.870 219 1HE LYS 25 2HE LYS 25 4.419 -20.730 -5.716 220 2HE LYS 25 1HE LYS 25 3.569 -20.454 -7.250 221 1HZ LYS 25 1HZ LYS 25 4.570 -22.757 -6.878 222 2HZ LYS 25 2HZ LYS 25 6.078 -22.017 -7.131 223 3HZ LYS 25 3HZ LYS 25 4.901 -21.995 -8.357 224 H GLY 26 H GLY 26 8.200 -16.252 -4.487 225 1HA GLY 26 2HA GLY 26 7.320 -17.857 -2.364 226 2HA GLY 26 1HA GLY 26 8.598 -16.652 -2.203 227 H GLY 27 H GLY 27 6.922 -14.372 -2.824 228 1HA GLY 27 2HA GLY 27 4.577 -13.883 -1.591 229 2HA GLY 27 1HA GLY 27 5.640 -14.063 -0.190 230 H ILE 28 H ILE 28 4.427 -11.567 -0.737 231 HA ILE 28 HA ILE 28 6.082 -9.859 -2.329 232 HB ILE 28 HB ILE 28 4.080 -9.537 -0.098 233 1HG1 ILE 28 2HG1 ILE 28 3.883 -8.102 -2.675 234 2HG1 ILE 28 1HG1 ILE 28 3.853 -9.859 -2.787 235 1HG2 ILE 28 1HG2 ILE 28 5.785 -7.345 -1.312 236 2HG2 ILE 28 2HG2 ILE 28 5.551 -7.704 0.399 237 3HG2 ILE 28 3HG2 ILE 28 4.227 -7.029 -0.549 238 1HD1 ILE 28 1HD1 ILE 28 1.582 -8.752 -2.485 239 2HD1 ILE 28 2HD1 ILE 28 2.113 -8.306 -0.862 240 3HD1 ILE 28 3HD1 ILE 28 1.972 -10.007 -1.307 241 H ASN 29 H ASN 29 8.215 -9.499 -1.930 242 HA ASN 29 HA ASN 29 9.232 -9.631 0.876 243 1HB ASN 29 2HB ASN 29 10.068 -10.719 -1.519 244 2HB ASN 29 1HB ASN 29 11.113 -9.306 -1.368 245 1HD2 ASN 29 1HD2 ASN 29 12.229 -9.090 0.864 246 2HD2 ASN 29 2HD2 ASN 29 12.714 -10.527 1.629 247 H GLU 30 H GLU 30 10.225 -7.797 1.817 248 HA GLU 30 HA GLU 30 9.493 -5.188 1.070 249 1HB GLU 30 2HB GLU 30 10.451 -5.841 3.246 250 2HB GLU 30 1HB GLU 30 12.007 -6.155 2.476 251 1HG GLU 30 2HG GLU 30 12.358 -3.864 1.980 252 2HG GLU 30 1HG GLU 30 10.661 -3.462 2.243 253 H ASN 31 H ASN 31 12.179 -7.164 -0.111 254 HA ASN 31 HA ASN 31 13.796 -5.196 -1.339 255 1HB ASN 31 2HB ASN 31 13.004 -7.931 -2.402 256 2HB ASN 31 1HB ASN 31 14.485 -7.053 -2.784 257 1HD2 ASN 31 1HD2 ASN 31 14.728 -9.608 -1.654 258 2HD2 ASN 31 2HD2 ASN 31 15.285 -9.476 -0.056 259 H MET 32 H MET 32 10.947 -6.915 -2.634 260 HA MET 32 HA MET 32 10.841 -5.512 -5.141 261 1HB MET 32 2HB MET 32 9.218 -7.359 -3.509 262 2HB MET 32 1HB MET 32 8.267 -6.305 -4.558 263 1HG MET 32 2HG MET 32 8.738 -7.754 -6.225 264 2HG MET 32 1HG MET 32 10.378 -7.112 -6.181 265 1HE MET 32 1HE MET 32 11.134 -10.841 -6.549 266 2HE MET 32 2HE MET 32 11.404 -9.198 -7.126 267 3HE MET 32 3HE MET 32 9.810 -9.929 -7.290 268 H ILE 33 H ILE 33 9.338 -4.940 -1.948 269 HA ILE 33 HA ILE 33 7.760 -2.683 -2.822 270 HB ILE 33 HB ILE 33 8.783 -3.509 -0.094 271 1HG1 ILE 33 2HG1 ILE 33 6.117 -3.927 -1.493 272 2HG1 ILE 33 1HG1 ILE 33 7.332 -5.176 -1.218 273 1HG2 ILE 33 1HG2 ILE 33 6.740 -2.080 0.603 274 2HG2 ILE 33 2HG2 ILE 33 6.809 -1.409 -1.026 275 3HG2 ILE 33 3HG2 ILE 33 8.175 -1.206 0.068 276 1HD1 ILE 33 1HD1 ILE 33 6.926 -3.968 1.287 277 2HD1 ILE 33 2HD1 ILE 33 6.376 -5.565 0.779 278 3HD1 ILE 33 3HD1 ILE 33 5.315 -4.168 0.596 279 H LYS 34 H LYS 34 11.059 -3.061 -1.567 280 HA LYS 34 HA LYS 34 11.668 -0.382 -0.919 281 1HB LYS 34 2HB LYS 34 13.175 -2.729 -2.058 282 2HB LYS 34 1HB LYS 34 13.997 -1.178 -1.876 283 1HG LYS 34 2HG LYS 34 12.489 -1.779 0.513 284 2HG LYS 34 1HG LYS 34 13.571 -3.119 0.128 285 1HD LYS 34 2HD LYS 34 15.492 -1.737 0.187 286 2HD LYS 34 1HD LYS 34 14.534 -0.259 0.082 287 1HE LYS 34 2HE LYS 34 13.683 -1.763 2.391 288 2HE LYS 34 1HE LYS 34 15.441 -1.531 2.448 289 1HZ LYS 34 1HZ LYS 34 14.954 0.832 1.728 290 2HZ LYS 34 2HZ LYS 34 14.543 0.436 3.328 291 3HZ LYS 34 3HZ LYS 34 13.336 0.530 2.134 292 H GLN 35 H GLN 35 11.682 -2.059 -4.038 293 HA GLN 35 HA GLN 35 12.484 0.258 -5.606 294 1HB GLN 35 2HB GLN 35 11.939 -2.570 -5.888 295 2HB GLN 35 1HB GLN 35 11.114 -1.681 -7.163 296 1HG GLN 35 2HG GLN 35 13.055 -1.196 -8.212 297 2HG GLN 35 1HG GLN 35 13.820 -0.688 -6.706 298 1HE2 GLN 35 1HE2 GLN 35 12.435 -3.919 -7.431 299 2HE2 GLN 35 2HE2 GLN 35 13.901 -4.756 -7.259 300 H ILE 36 H ILE 36 9.394 -1.534 -5.242 301 HA ILE 36 HA ILE 36 7.675 0.170 -6.697 302 HB ILE 36 HB ILE 36 7.255 -1.397 -4.139 303 1HG1 ILE 36 2HG1 ILE 36 6.646 -2.110 -7.014 304 2HG1 ILE 36 1HG1 ILE 36 8.100 -2.632 -6.163 305 1HG2 ILE 36 1HG2 ILE 36 5.068 -0.816 -6.101 306 2HG2 ILE 36 2HG2 ILE 36 5.498 0.432 -4.933 307 3HG2 ILE 36 3HG2 ILE 36 4.959 -1.150 -4.374 308 1HD1 ILE 36 1HD1 ILE 36 6.913 -4.008 -4.707 309 2HD1 ILE 36 2HD1 ILE 36 5.996 -4.197 -6.201 310 3HD1 ILE 36 3HD1 ILE 36 5.408 -3.117 -4.935 311 H ASP 37 H ASP 37 8.887 0.403 -3.400 312 HA ASP 37 HA ASP 37 7.306 2.459 -2.344 313 1HB ASP 37 2HB ASP 37 8.921 1.106 -1.102 314 2HB ASP 37 1HB ASP 37 10.254 1.838 -1.997 315 H ASP 38 H ASP 38 10.442 2.763 -4.065 316 HA ASP 38 HA ASP 38 10.344 5.673 -4.121 317 1HB ASP 38 2HB ASP 38 12.246 3.725 -4.336 318 2HB ASP 38 1HB ASP 38 12.053 4.184 -6.028 319 H THR 39 H THR 39 9.484 3.092 -6.415 320 HA THR 39 HA THR 39 9.063 4.992 -8.618 321 HB THR 39 HB THR 39 8.366 2.066 -8.311 322 HG1 THR 39 HG1 THR 39 10.652 3.402 -9.329 323 1HG2 THR 39 1HG2 THR 39 7.309 3.474 -10.197 324 2HG2 THR 39 2HG2 THR 39 8.161 2.001 -10.661 325 3HG2 THR 39 3HG2 THR 39 8.942 3.571 -10.856 326 H LEU 40 H LEU 40 7.134 3.582 -6.072 327 HA LEU 40 HA LEU 40 4.565 4.253 -7.364 328 1HB LEU 40 2HB LEU 40 4.721 2.292 -5.926 329 2HB LEU 40 1HB LEU 40 5.391 3.262 -4.614 330 HG LEU 40 HG LEU 40 2.732 4.048 -5.734 331 1HD1 LEU 40 1HD1 LEU 40 2.651 2.183 -3.450 332 2HD1 LEU 40 2HD1 LEU 40 3.114 1.436 -4.979 333 3HD1 LEU 40 3HD1 LEU 40 1.581 2.297 -4.846 334 1HD2 LEU 40 1HD2 LEU 40 2.704 4.186 -2.983 335 2HD2 LEU 40 2HD2 LEU 40 3.152 5.516 -4.050 336 3HD2 LEU 40 3HD2 LEU 40 4.401 4.488 -3.348 337 H GLU 41 H GLU 41 6.464 5.354 -4.547 338 HA GLU 41 HA GLU 41 4.799 7.480 -3.705 339 1HB GLU 41 2HB GLU 41 6.685 6.583 -2.435 340 2HB GLU 41 1HB GLU 41 7.814 7.111 -3.683 341 1HG GLU 41 2HG GLU 41 6.869 9.487 -3.249 342 2HG GLU 41 1HG GLU 41 6.222 8.803 -1.757 343 H ASN 42 H ASN 42 7.328 7.390 -6.211 344 HA ASN 42 HA ASN 42 7.313 10.221 -6.773 345 1HB ASN 42 2HB ASN 42 8.371 7.692 -7.894 346 2HB ASN 42 1HB ASN 42 8.168 8.999 -9.062 347 1HD2 ASN 42 1HD2 ASN 42 10.703 8.736 -8.960 348 2HD2 ASN 42 2HD2 ASN 42 11.504 9.701 -7.816 349 H ARG 43 H ARG 43 5.638 7.435 -8.293 350 HA ARG 43 HA ARG 43 4.115 9.309 -10.034 351 1HB ARG 43 2HB ARG 43 5.018 6.537 -10.055 352 2HB ARG 43 1HB ARG 43 3.308 6.662 -10.471 353 1HG ARG 43 2HG ARG 43 4.210 8.688 -11.963 354 2HG ARG 43 1HG ARG 43 5.693 7.733 -11.910 355 1HD ARG 43 2HD ARG 43 3.994 5.742 -12.478 356 2HD ARG 43 1HD ARG 43 3.073 7.082 -13.191 357 HE ARG 43 HE ARG 43 5.952 7.020 -13.835 358 1HH1 ARG 43 1HH2 ARG 43 3.057 7.878 -15.083 359 2HH1 ARG 43 2HH2 ARG 43 3.226 7.069 -16.606 360 1HH2 ARG 43 1HH1 ARG 43 6.039 5.285 -15.644 361 2HH2 ARG 43 2HH1 ARG 43 4.916 5.602 -16.923 362 H GLU 44 H GLU 44 1.680 8.498 -10.288 363 HA GLU 44 HA GLU 44 0.518 8.453 -7.535 364 1HB GLU 44 2HB GLU 44 -0.172 9.570 -10.200 365 2HB GLU 44 1HB GLU 44 -1.534 9.001 -9.234 366 1HG GLU 44 2HG GLU 44 -1.436 10.968 -8.135 367 2HG GLU 44 1HG GLU 44 0.068 10.395 -7.414 368 H LEU 45 H LEU 45 0.093 6.960 -10.761 369 HA LEU 45 HA LEU 45 -1.417 4.720 -9.466 370 1HB LEU 45 2HB LEU 45 -2.542 6.005 -11.245 371 2HB LEU 45 1HB LEU 45 -1.208 5.654 -12.342 372 HG LEU 45 HG LEU 45 -1.700 3.260 -12.262 373 1HD1 LEU 45 1HD1 LEU 45 -3.288 4.100 -9.928 374 2HD1 LEU 45 2HD1 LEU 45 -2.544 2.541 -10.285 375 3HD1 LEU 45 3HD1 LEU 45 -4.108 2.954 -10.987 376 1HD2 LEU 45 1HD2 LEU 45 -3.643 5.292 -13.063 377 2HD2 LEU 45 2HD2 LEU 45 -4.415 3.745 -12.711 378 3HD2 LEU 45 3HD2 LEU 45 -3.133 3.837 -13.913 379 H ILE 46 H ILE 46 -0.335 2.804 -9.289 380 HA ILE 46 HA ILE 46 1.835 2.241 -11.260 381 HB ILE 46 HB ILE 46 3.040 1.200 -9.197 382 1HG1 ILE 46 2HG1 ILE 46 2.521 2.715 -7.131 383 2HG1 ILE 46 1HG1 ILE 46 0.939 2.925 -7.868 384 1HG2 ILE 46 1HG2 ILE 46 4.379 3.023 -9.278 385 2HG2 ILE 46 2HG2 ILE 46 3.072 4.124 -8.837 386 3HG2 ILE 46 3HG2 ILE 46 3.252 3.591 -10.510 387 1HD1 ILE 46 1HD1 ILE 46 0.303 0.791 -7.396 388 2HD1 ILE 46 2HD1 ILE 46 1.593 0.863 -6.199 389 3HD1 ILE 46 3HD1 ILE 46 1.894 0.133 -7.774 390 H LYS 47 H LYS 47 1.567 0.273 -12.172 391 HA LYS 47 HA LYS 47 -0.433 -1.581 -11.030 392 1HB LYS 47 2HB LYS 47 1.269 -1.984 -13.501 393 2HB LYS 47 1HB LYS 47 -0.314 -2.661 -13.161 394 1HG LYS 47 2HG LYS 47 -1.396 -0.581 -13.544 395 2HG LYS 47 1HG LYS 47 0.125 0.313 -13.475 396 1HD LYS 47 2HD LYS 47 -0.559 0.033 -15.813 397 2HD LYS 47 1HD LYS 47 0.903 -0.893 -15.502 398 1HE LYS 47 2HE LYS 47 -0.253 -2.954 -15.496 399 2HE LYS 47 1HE LYS 47 -1.826 -2.170 -15.248 400 1HZ LYS 47 1HZ LYS 47 -0.102 -1.971 -17.661 401 2HZ LYS 47 2HZ LYS 47 -1.503 -1.044 -17.409 402 3HZ LYS 47 3HZ LYS 47 -1.613 -2.733 -17.558 403 H VAL 48 H VAL 48 0.240 -3.605 -10.049 404 HA VAL 48 HA VAL 48 3.187 -4.039 -10.016 405 HB VAL 48 HB VAL 48 1.031 -4.128 -7.895 406 1HG1 VAL 48 1HG1 VAL 48 2.193 -6.113 -7.427 407 2HG1 VAL 48 2HG1 VAL 48 2.977 -4.908 -6.404 408 3HG1 VAL 48 3HG1 VAL 48 3.742 -5.422 -7.907 409 1HG2 VAL 48 1HG2 VAL 48 2.185 -2.367 -6.928 410 2HG2 VAL 48 2HG2 VAL 48 2.562 -2.077 -8.627 411 3HG2 VAL 48 3HG2 VAL 48 3.737 -2.885 -7.589 412 H HIS 49 H HIS 49 3.765 -6.053 -10.763 413 HA HIS 49 HA HIS 49 1.666 -8.033 -11.391 414 1HB HIS 49 2HB HIS 49 3.486 -7.381 -12.959 415 2HB HIS 49 1HB HIS 49 4.671 -8.016 -11.818 416 HD1 HIS 49 HD1 HIS 49 5.491 -10.115 -12.929 417 HD2 HIS 49 HD2 HIS 49 1.333 -9.842 -12.997 418 HE1 HIS 49 HE1 HIS 49 4.645 -12.314 -13.856 419 H VAL 50 H VAL 50 1.156 -9.635 -9.957 420 HA VAL 50 HA VAL 50 3.098 -10.333 -7.791 421 HB VAL 50 HB VAL 50 0.107 -10.616 -8.184 422 1HG1 VAL 50 1HG1 VAL 50 0.364 -12.509 -6.922 423 2HG1 VAL 50 2HG1 VAL 50 0.469 -11.341 -5.606 424 3HG1 VAL 50 3HG1 VAL 50 1.942 -12.013 -6.308 425 1HG2 VAL 50 1HG2 VAL 50 0.381 -9.317 -5.878 426 2HG2 VAL 50 2HG2 VAL 50 0.466 -8.462 -7.417 427 3HG2 VAL 50 3HG2 VAL 50 1.949 -8.899 -6.568 428 H LEU 51 H LEU 51 4.023 -12.261 -7.708 429 HA LEU 51 HA LEU 51 3.661 -14.096 -9.919 430 1HB LEU 51 2HB LEU 51 5.572 -13.411 -7.869 431 2HB LEU 51 1HB LEU 51 5.456 -15.147 -8.105 432 HG LEU 51 HG LEU 51 7.150 -14.180 -9.617 433 1HD1 LEU 51 1HD1 LEU 51 6.542 -15.718 -11.149 434 2HD1 LEU 51 2HD1 LEU 51 5.177 -14.730 -11.668 435 3HD1 LEU 51 3HD1 LEU 51 4.992 -15.850 -10.319 436 1HD2 LEU 51 1HD2 LEU 51 5.685 -12.831 -11.547 437 2HD2 LEU 51 2HD2 LEU 51 6.704 -12.069 -10.326 438 3HD2 LEU 51 3HD2 LEU 51 4.975 -12.254 -10.042 439 H GLN 52 H GLN 52 1.387 -13.994 -7.989 440 HA GLN 52 HA GLN 52 1.614 -16.611 -6.590 441 1HB GLN 52 2HB GLN 52 0.491 -14.166 -5.965 442 2HB GLN 52 1HB GLN 52 -0.914 -15.107 -6.466 443 1HG GLN 52 2HG GLN 52 -0.540 -15.395 -4.062 444 2HG GLN 52 1HG GLN 52 -0.222 -16.914 -4.900 445 1HE2 GLN 52 1HE2 GLN 52 1.032 -16.907 -2.554 446 2HE2 GLN 52 2HE2 GLN 52 2.675 -16.502 -2.678 447 H ASN 53 H ASN 53 0.065 -15.088 -9.338 448 HA ASN 53 HA ASN 53 -1.372 -15.950 -11.004 449 1HB ASN 53 2HB ASN 53 0.765 -17.765 -10.348 450 2HB ASN 53 1HB ASN 53 -0.655 -18.691 -10.836 451 1HD2 ASN 53 1HD2 ASN 53 2.006 -17.885 -12.282 452 2HD2 ASN 53 2HD2 ASN 53 1.463 -17.304 -13.782 453 H ASN 54 H ASN 54 -2.390 -15.977 -8.173 454 HA ASN 54 HA ASN 54 -4.377 -18.209 -8.474 455 1HB ASN 54 2HB ASN 54 -2.519 -17.573 -6.392 456 2HB ASN 54 1HB ASN 54 -4.151 -17.309 -5.778 457 1HD2 ASN 54 1HD2 ASN 54 -5.726 -19.181 -6.122 458 2HD2 ASN 54 2HD2 ASN 54 -5.105 -20.761 -6.096 459 H PHE 55 H PHE 55 -6.533 -17.668 -7.513 460 HA PHE 55 HA PHE 55 -7.322 -14.938 -8.206 461 1HB PHE 55 2HB PHE 55 -8.478 -17.532 -7.931 462 2HB PHE 55 1HB PHE 55 -9.374 -16.438 -6.877 463 HD1 PHE 55 HD1 PHE 55 -7.798 -16.329 -10.290 464 HD2 PHE 55 HD2 PHE 55 -11.197 -15.368 -7.847 465 HE1 PHE 55 HE1 PHE 55 -8.943 -15.359 -12.265 466 HE2 PHE 55 HE2 PHE 55 -12.344 -14.400 -9.821 467 HZ PHE 55 HZ PHE 55 -11.217 -14.396 -12.030 468 H ASP 56 H ASP 56 -7.996 -16.813 -5.206 469 HA ASP 56 HA ASP 56 -8.298 -14.333 -3.708 470 1HB ASP 56 2HB ASP 56 -8.845 -15.882 -1.867 471 2HB ASP 56 1HB ASP 56 -9.700 -16.330 -3.344 472 H ASP 57 H ASP 57 -5.681 -16.314 -4.445 473 HA ASP 57 HA ASP 57 -4.142 -15.678 -2.006 474 1HB ASP 57 2HB ASP 57 -4.167 -17.734 -3.845 475 2HB ASP 57 1HB ASP 57 -2.760 -16.800 -4.355 476 H LYS 58 H LYS 58 -4.192 -14.804 -5.457 477 HA LYS 58 HA LYS 58 -1.887 -13.097 -5.442 478 1HB LYS 58 2HB LYS 58 -3.035 -14.032 -7.427 479 2HB LYS 58 1HB LYS 58 -4.445 -13.033 -7.081 480 1HG LYS 58 2HG LYS 58 -2.762 -11.045 -7.165 481 2HG LYS 58 1HG LYS 58 -1.711 -12.180 -8.013 482 1HD LYS 58 2HD LYS 58 -4.514 -11.359 -8.835 483 2HD LYS 58 1HD LYS 58 -3.013 -10.930 -9.653 484 1HE LYS 58 2HE LYS 58 -3.044 -12.876 -10.820 485 2HE LYS 58 1HE LYS 58 -3.206 -13.816 -9.327 486 1HZ LYS 58 1HZ LYS 58 -5.543 -13.360 -9.277 487 2HZ LYS 58 2HZ LYS 58 -5.166 -13.995 -10.807 488 3HZ LYS 58 3HZ LYS 58 -5.429 -12.326 -10.617 489 H LYS 59 H LYS 59 -5.379 -12.392 -5.044 490 HA LYS 59 HA LYS 59 -5.136 -9.580 -4.618 491 1HB LYS 59 2HB LYS 59 -7.223 -10.839 -5.077 492 2HB LYS 59 1HB LYS 59 -7.106 -11.598 -3.489 493 1HG LYS 59 2HG LYS 59 -7.342 -9.450 -2.383 494 2HG LYS 59 1HG LYS 59 -7.282 -8.605 -3.931 495 1HD LYS 59 2HD LYS 59 -9.343 -9.884 -4.620 496 2HD LYS 59 1HD LYS 59 -9.444 -10.499 -2.970 497 1HE LYS 59 2HE LYS 59 -9.873 -8.349 -2.068 498 2HE LYS 59 1HE LYS 59 -9.297 -7.529 -3.534 499 1HZ LYS 59 1HZ LYS 59 -11.764 -9.127 -3.174 500 2HZ LYS 59 2HZ LYS 59 -11.109 -8.842 -4.716 501 3HZ LYS 59 3HZ LYS 59 -11.615 -7.538 -3.751 502 H GLU 60 H GLU 60 -5.014 -12.334 -2.330 503 HA GLU 60 HA GLU 60 -4.874 -10.904 0.112 504 1HB GLU 60 2HB GLU 60 -5.022 -13.404 -0.295 505 2HB GLU 60 1HB GLU 60 -3.299 -13.380 -0.672 506 1HG GLU 60 2HG GLU 60 -3.361 -12.013 1.708 507 2HG GLU 60 1HG GLU 60 -4.657 -13.184 1.941 508 H LEU 61 H LEU 61 -2.290 -11.684 -2.237 509 HA LEU 61 HA LEU 61 -0.065 -10.728 -0.761 510 1HB LEU 61 2HB LEU 61 -0.814 -11.298 -3.544 511 2HB LEU 61 1HB LEU 61 0.402 -10.026 -3.412 512 HG LEU 61 HG LEU 61 1.249 -11.930 -1.569 513 1HD1 LEU 61 1HD1 LEU 61 1.133 -14.066 -2.594 514 2HD1 LEU 61 2HD1 LEU 61 0.564 -13.393 -4.121 515 3HD1 LEU 61 3HD1 LEU 61 -0.505 -13.425 -2.717 516 1HD2 LEU 61 1HD2 LEU 61 3.153 -11.650 -2.757 517 2HD2 LEU 61 2HD2 LEU 61 2.222 -10.599 -3.824 518 3HD2 LEU 61 3HD2 LEU 61 2.419 -12.307 -4.218 519 H ALA 62 H ALA 62 -2.403 -8.987 -2.832 520 HA ALA 62 HA ALA 62 -1.210 -6.406 -2.677 521 1HB ALA 62 1HB ALA 62 -4.002 -6.095 -2.637 522 2HB ALA 62 2HB ALA 62 -3.709 -7.626 -3.463 523 3HB ALA 62 3HB ALA 62 -2.963 -6.143 -4.061 524 H GLU 63 H GLU 63 -3.477 -8.085 -0.479 525 HA GLU 63 HA GLU 63 -4.091 -6.016 1.297 526 1HB GLU 63 2HB GLU 63 -4.096 -8.882 1.223 527 2HB GLU 63 1HB GLU 63 -3.525 -8.357 2.807 528 1HG GLU 63 2HG GLU 63 -5.849 -8.429 3.095 529 2HG GLU 63 1HG GLU 63 -5.559 -6.728 2.724 530 H THR 64 H THR 64 -1.206 -7.811 0.909 531 HA THR 64 HA THR 64 0.168 -6.683 3.252 532 HB THR 64 HB THR 64 1.129 -8.314 0.873 533 HG1 THR 64 HG1 THR 64 0.558 -10.016 2.012 534 1HG2 THR 64 1HG2 THR 64 2.762 -8.882 3.007 535 2HG2 THR 64 2HG2 THR 64 2.472 -7.156 3.216 536 3HG2 THR 64 3HG2 THR 64 3.157 -7.758 1.707 537 H LEU 65 H LEU 65 0.050 -6.160 -0.262 538 HA LEU 65 HA LEU 65 2.234 -4.202 -0.254 539 1HB LEU 65 2HB LEU 65 0.179 -5.208 -2.215 540 2HB LEU 65 1HB LEU 65 1.255 -3.877 -2.627 541 HG LEU 65 HG LEU 65 2.301 -6.497 -1.552 542 1HD1 LEU 65 1HD1 LEU 65 2.400 -5.847 -4.464 543 2HD1 LEU 65 2HD1 LEU 65 0.887 -6.480 -3.814 544 3HD1 LEU 65 3HD1 LEU 65 2.371 -7.420 -3.667 545 1HD2 LEU 65 1HD2 LEU 65 3.456 -4.001 -2.049 546 2HD2 LEU 65 2HD2 LEU 65 3.902 -4.973 -3.452 547 3HD2 LEU 65 3HD2 LEU 65 4.322 -5.523 -1.829 548 H SER 66 H SER 66 -1.316 -4.037 -0.821 549 HA SER 66 HA SER 66 -1.568 -1.227 -0.993 550 1HB SER 66 2HB SER 66 -3.423 -3.266 0.281 551 2HB SER 66 1HB SER 66 -3.904 -1.688 -0.335 552 HG SER 66 HG SER 66 -3.755 -3.935 -1.664 553 H GLU 67 H GLU 67 -1.390 -3.317 1.893 554 HA GLU 67 HA GLU 67 -1.908 -1.149 3.772 555 1HB GLU 67 2HB GLU 67 -0.960 -4.008 3.869 556 2HB GLU 67 1HB GLU 67 -0.941 -3.017 5.328 557 1HG GLU 67 2HG GLU 67 -3.425 -3.103 3.644 558 2HG GLU 67 1HG GLU 67 -3.080 -4.437 4.746 559 H ALA 68 H ALA 68 0.983 -2.619 2.351 560 HA ALA 68 HA ALA 68 2.796 -1.163 4.164 561 1HB ALA 68 1HB ALA 68 3.219 -3.469 3.335 562 2HB ALA 68 2HB ALA 68 4.507 -2.363 2.857 563 3HB ALA 68 3HB ALA 68 3.282 -2.849 1.684 564 H THR 69 H THR 69 1.510 -0.829 0.899 565 HA THR 69 HA THR 69 3.445 1.191 0.062 566 HB THR 69 HB THR 69 1.794 1.375 -1.839 567 HG1 THR 69 HG1 THR 69 -0.045 0.255 -1.743 568 1HG2 THR 69 1HG2 THR 69 2.067 -1.048 -2.540 569 2HG2 THR 69 2HG2 THR 69 2.753 -1.351 -0.944 570 3HG2 THR 69 3HG2 THR 69 3.556 -0.238 -2.053 571 H ARG 70 H ARG 70 0.863 1.318 2.242 572 HA ARG 70 HA ARG 70 -0.379 3.119 3.146 573 1HB ARG 70 2HB ARG 70 2.287 3.805 2.802 574 2HB ARG 70 1HB ARG 70 1.434 5.150 2.043 575 1HG ARG 70 2HG ARG 70 0.424 5.809 4.016 576 2HG ARG 70 1HG ARG 70 0.440 4.178 4.690 577 1HD ARG 70 2HD ARG 70 2.432 4.539 5.710 578 2HD ARG 70 1HD ARG 70 3.147 5.178 4.215 579 HE ARG 70 HE ARG 70 1.313 7.119 5.166 580 1HH1 ARG 70 1HH2 ARG 70 3.623 5.446 6.965 581 2HH1 ARG 70 2HH2 ARG 70 4.496 6.854 7.472 582 1HH2 ARG 70 1HH1 ARG 70 2.705 9.020 5.439 583 2HH2 ARG 70 2HH1 ARG 70 3.972 8.880 6.612 584 H SER 71 H SER 71 -0.786 2.272 0.279 585 HA SER 71 HA SER 71 -1.919 4.828 -0.825 586 1HB SER 71 2HB SER 71 -1.148 2.283 -2.265 587 2HB SER 71 1HB SER 71 -1.462 3.859 -2.984 588 HG SER 71 HG SER 71 0.724 2.966 -1.452 589 H GLU 72 H GLU 72 -3.675 3.756 -2.680 590 HA GLU 72 HA GLU 72 -5.454 1.963 -1.066 591 1HB GLU 72 2HB GLU 72 -5.994 4.586 -2.460 592 2HB GLU 72 1HB GLU 72 -7.304 3.445 -2.161 593 1HG GLU 72 2HG GLU 72 -5.496 4.038 0.130 594 2HG GLU 72 1HG GLU 72 -6.603 5.319 -0.367 595 H LEU 73 H LEU 73 -5.610 0.078 -2.230 596 HA LEU 73 HA LEU 73 -5.025 -0.285 -4.960 597 1HB LEU 73 2HB LEU 73 -5.904 -1.736 -2.684 598 2HB LEU 73 1HB LEU 73 -7.037 -2.113 -3.974 599 HG LEU 73 HG LEU 73 -4.065 -2.501 -3.911 600 1HD1 LEU 73 1HD1 LEU 73 -4.616 -4.744 -3.881 601 2HD1 LEU 73 2HD1 LEU 73 -5.984 -4.516 -4.970 602 3HD1 LEU 73 3HD1 LEU 73 -6.152 -4.142 -3.256 603 1HD2 LEU 73 1HD2 LEU 73 -3.977 -2.112 -6.157 604 2HD2 LEU 73 2HD2 LEU 73 -5.708 -1.816 -6.207 605 3HD2 LEU 73 3HD2 LEU 73 -5.091 -3.454 -6.384 606 H VAL 74 H VAL 74 -6.195 0.734 -6.632 607 HA VAL 74 HA VAL 74 -9.054 1.263 -6.366 608 HB VAL 74 HB VAL 74 -8.848 1.941 -8.735 609 1HG1 VAL 74 1HG1 VAL 74 -8.069 3.761 -7.627 610 2HG1 VAL 74 2HG1 VAL 74 -6.518 3.281 -8.315 611 3HG1 VAL 74 3HG1 VAL 74 -6.935 2.813 -6.666 612 1HG2 VAL 74 1HG2 VAL 74 -7.376 0.132 -9.517 613 2HG2 VAL 74 2HG2 VAL 74 -6.059 0.783 -8.544 614 3HG2 VAL 74 3HG2 VAL 74 -6.689 1.709 -9.904 615 H GLN 75 H GLN 75 -6.945 -1.287 -7.555 616 HA GLN 75 HA GLN 75 -8.750 -3.420 -7.217 617 1HB GLN 75 2HB GLN 75 -9.359 -1.749 -9.500 618 2HB GLN 75 1HB GLN 75 -8.875 -3.348 -10.065 619 1HG GLN 75 2HG GLN 75 -10.543 -4.421 -8.697 620 2HG GLN 75 1HG GLN 75 -10.922 -2.906 -7.877 621 1HE2 GLN 75 1HE2 GLN 75 -12.435 -4.846 -9.884 622 2HE2 GLN 75 2HE2 GLN 75 -13.150 -3.753 -10.968 623 H VAL 76 H VAL 76 -8.248 -5.264 -8.746 624 HA VAL 76 HA VAL 76 -5.289 -5.391 -9.117 625 HB VAL 76 HB VAL 76 -7.341 -6.830 -7.572 626 1HG1 VAL 76 1HG1 VAL 76 -5.871 -9.010 -7.778 627 2HG1 VAL 76 2HG1 VAL 76 -5.427 -8.354 -9.354 628 3HG1 VAL 76 3HG1 VAL 76 -7.116 -8.706 -8.990 629 1HG2 VAL 76 1HG2 VAL 76 -5.708 -6.094 -6.173 630 2HG2 VAL 76 2HG2 VAL 76 -4.466 -6.130 -7.426 631 3HG2 VAL 76 3HG2 VAL 76 -4.926 -7.617 -6.597 632 H ILE 77 H ILE 77 -5.110 -5.304 -11.366 633 HA ILE 77 HA ILE 77 -7.083 -6.490 -13.145 634 HB ILE 77 HB ILE 77 -4.371 -5.180 -13.432 635 1HG1 ILE 77 2HG1 ILE 77 -7.212 -4.234 -13.932 636 2HG1 ILE 77 1HG1 ILE 77 -6.174 -3.734 -12.597 637 1HG2 ILE 77 1HG2 ILE 77 -6.375 -5.849 -15.594 638 2HG2 ILE 77 2HG2 ILE 77 -4.876 -6.738 -15.312 639 3HG2 ILE 77 3HG2 ILE 77 -4.821 -5.046 -15.810 640 1HD1 ILE 77 1HD1 ILE 77 -4.543 -2.828 -14.238 641 2HD1 ILE 77 2HD1 ILE 77 -6.117 -2.041 -14.357 642 3HD1 ILE 77 3HD1 ILE 77 -5.649 -3.260 -15.543 643 H GLY 78 H GLY 78 -7.081 -8.762 -13.007 644 1HA GLY 78 2HA GLY 78 -6.268 -10.964 -13.158 645 2HA GLY 78 1HA GLY 78 -5.236 -10.299 -14.422 646 H SER 79 H SER 79 -3.089 -10.496 -14.068 647 HA SER 79 HA SER 79 -2.133 -11.288 -11.384 648 1HB SER 79 2HB SER 79 -0.066 -11.774 -12.662 649 2HB SER 79 1HB SER 79 -1.474 -12.510 -13.421 650 HG SER 79 HG SER 79 -0.584 -11.481 -15.080 651 H MET 80 H MET 80 -2.843 -8.365 -12.539 652 HA MET 80 HA MET 80 -0.334 -7.105 -11.488 653 1HB MET 80 2HB MET 80 -2.326 -6.282 -13.614 654 2HB MET 80 1HB MET 80 -1.097 -5.185 -12.981 655 1HG MET 80 2HG MET 80 0.678 -6.697 -13.695 656 2HG MET 80 1HG MET 80 -0.512 -7.885 -14.231 657 1HE MET 80 1HE MET 80 1.604 -4.934 -16.452 658 2HE MET 80 2HE MET 80 1.673 -6.676 -16.704 659 3HE MET 80 3HE MET 80 1.904 -6.017 -15.086 660 H ILE 81 H ILE 81 -0.603 -5.638 -9.792 661 HA ILE 81 HA ILE 81 -3.405 -5.213 -8.833 662 HB ILE 81 HB ILE 81 -0.711 -4.952 -7.449 663 1HG1 ILE 81 2HG1 ILE 81 -2.809 -7.140 -7.284 664 2HG1 ILE 81 1HG1 ILE 81 -1.265 -7.278 -8.127 665 1HG2 ILE 81 1HG2 ILE 81 -1.825 -4.339 -5.549 666 2HG2 ILE 81 2HG2 ILE 81 -3.233 -5.329 -5.932 667 3HG2 ILE 81 3HG2 ILE 81 -3.025 -3.756 -6.702 668 1HD1 ILE 81 1HD1 ILE 81 -1.342 -8.219 -5.742 669 2HD1 ILE 81 2HD1 ILE 81 -1.434 -6.543 -5.200 670 3HD1 ILE 81 3HD1 ILE 81 -0.026 -7.101 -6.101 671 H VAL 82 H VAL 82 -4.207 -3.187 -9.259 672 HA VAL 82 HA VAL 82 -2.331 -0.982 -9.923 673 HB VAL 82 HB VAL 82 -5.339 -1.337 -10.073 674 1HG1 VAL 82 1HG1 VAL 82 -3.615 0.889 -11.196 675 2HG1 VAL 82 2HG1 VAL 82 -4.610 1.037 -9.757 676 3HG1 VAL 82 3HG1 VAL 82 -5.369 0.751 -11.322 677 1HG2 VAL 82 1HG2 VAL 82 -3.216 -1.267 -12.242 678 2HG2 VAL 82 2HG2 VAL 82 -4.943 -1.545 -12.477 679 3HG2 VAL 82 3HG2 VAL 82 -3.965 -2.737 -11.620 680 H ILE 83 H ILE 83 -1.671 0.243 -8.173 681 HA ILE 83 HA ILE 83 -3.745 0.838 -6.081 682 HB ILE 83 HB ILE 83 -0.728 0.622 -5.769 683 1HG1 ILE 83 2HG1 ILE 83 -2.811 -1.362 -4.824 684 2HG1 ILE 83 1HG1 ILE 83 -2.002 -1.540 -6.377 685 1HG2 ILE 83 1HG2 ILE 83 -3.012 0.825 -3.792 686 2HG2 ILE 83 2HG2 ILE 83 -1.778 2.045 -4.102 687 3HG2 ILE 83 3HG2 ILE 83 -1.334 0.512 -3.351 688 1HD1 ILE 83 1HD1 ILE 83 -0.531 -1.277 -3.745 689 2HD1 ILE 83 2HD1 ILE 83 0.155 -1.703 -5.313 690 3HD1 ILE 83 3HD1 ILE 83 -0.929 -2.824 -4.491 691 H TYR 84 H TYR 84 -3.845 2.980 -5.342 692 HA TYR 84 HA TYR 84 -2.269 4.965 -6.942 693 1HB TYR 84 2HB TYR 84 -4.599 5.086 -7.455 694 2HB TYR 84 1HB TYR 84 -5.058 4.909 -5.764 695 HD1 TYR 84 HD1 TYR 84 -2.867 7.188 -7.815 696 HD2 TYR 84 HD2 TYR 84 -5.806 6.831 -4.704 697 HE1 TYR 84 HE1 TYR 84 -2.880 9.653 -7.544 698 HE2 TYR 84 HE2 TYR 84 -5.822 9.294 -4.435 699 HH TYR 84 HH TYR 84 -4.563 11.202 -4.907 700 H ARG 85 H ARG 85 -0.615 5.714 -5.575 701 HA ARG 85 HA ARG 85 -1.171 5.957 -2.659 702 1HB ARG 85 2HB ARG 85 0.880 4.828 -3.677 703 2HB ARG 85 1HB ARG 85 1.410 6.438 -4.163 704 1HG ARG 85 2HG ARG 85 0.573 6.461 -1.394 705 2HG ARG 85 1HG ARG 85 1.800 5.223 -1.647 706 1HD ARG 85 2HD ARG 85 3.414 6.773 -2.346 707 2HD ARG 85 1HD ARG 85 2.193 7.974 -2.813 708 HE ARG 85 HE ARG 85 1.810 8.441 -0.451 709 1HH1 ARG 85 1HH2 ARG 85 4.886 7.482 -1.247 710 2HH1 ARG 85 2HH2 ARG 85 5.364 7.018 0.352 711 1HH2 ARG 85 1HH1 ARG 85 2.167 7.282 1.669 712 2HH2 ARG 85 2HH1 ARG 85 3.824 6.906 2.004 713 H GLU 86 H GLU 86 -2.207 7.862 -2.244 714 HA GLU 86 HA GLU 86 -2.790 10.177 -2.436 715 1HB GLU 86 2HB GLU 86 -1.018 11.388 -1.304 716 2HB GLU 86 1HB GLU 86 -1.063 9.742 -0.674 717 1HG GLU 86 2HG GLU 86 0.833 9.093 -1.997 718 2HG GLU 86 1HG GLU 86 0.787 10.599 -2.911 719 H SER 87 H SER 87 -0.776 12.262 -3.012 720 HA SER 87 HA SER 87 -0.543 12.004 -5.993 721 1HB SER 87 2HB SER 87 -1.082 14.603 -4.591 722 2HB SER 87 1HB SER 87 -1.486 14.128 -6.238 723 HG SER 87 HG SER 87 -3.354 14.063 -5.017 724 H LYS 88 H LYS 88 1.353 12.983 -6.886 725 HA LYS 88 HA LYS 88 3.203 14.317 -4.976 726 1HB LYS 88 2HB LYS 88 3.496 11.701 -6.378 727 2HB LYS 88 1HB LYS 88 4.925 12.735 -6.350 728 1HG LYS 88 2HG LYS 88 3.644 12.697 -3.750 729 2HG LYS 88 1HG LYS 88 4.020 11.058 -4.282 730 1HD LYS 88 2HD LYS 88 6.181 11.394 -3.766 731 2HD LYS 88 1HD LYS 88 6.252 12.702 -4.947 732 1HE LYS 88 2HE LYS 88 6.827 13.813 -2.953 733 2HE LYS 88 1HE LYS 88 5.077 14.098 -3.030 734 1HZ LYS 88 1HZ LYS 88 6.025 13.101 -0.884 735 2HZ LYS 88 2HZ LYS 88 6.172 11.661 -1.770 736 3HZ LYS 88 3HZ LYS 88 4.646 12.377 -1.551 737 H GLU 89 H GLU 89 3.024 13.093 -8.320 738 HA GLU 89 HA GLU 89 3.926 15.788 -9.254 739 1HB GLU 89 2HB GLU 89 4.771 14.588 -11.210 740 2HB GLU 89 1HB GLU 89 5.359 13.783 -9.757 741 1HG GLU 89 2HG GLU 89 3.439 12.170 -9.950 742 2HG GLU 89 1HG GLU 89 3.029 12.918 -11.493 743 H ASN 90 H ASN 90 2.338 16.954 -10.162 744 HA ASN 90 HA ASN 90 -0.349 16.174 -10.486 745 1HB ASN 90 2HB ASN 90 1.254 18.328 -11.903 746 2HB ASN 90 1HB ASN 90 -0.503 18.293 -11.763 747 1HD2 ASN 90 1HD2 ASN 90 1.528 20.254 -10.607 748 2HD2 ASN 90 2HD2 ASN 90 1.194 20.280 -8.943 749 H LYS 91 H LYS 91 -0.119 14.079 -11.637 750 HA LYS 91 HA LYS 91 0.540 14.283 -14.543 751 1HB LYS 91 2HB LYS 91 1.078 12.434 -12.544 752 2HB LYS 91 1HB LYS 91 -0.266 11.692 -13.411 753 1HG LYS 91 2HG LYS 91 1.045 12.239 -15.559 754 2HG LYS 91 1HG LYS 91 2.426 12.523 -14.498 755 1HD LYS 91 2HD LYS 91 2.672 10.255 -15.034 756 2HD LYS 91 1HD LYS 91 1.810 10.186 -13.496 757 1HE LYS 91 2HE LYS 91 0.542 8.724 -14.842 758 2HE LYS 91 1HE LYS 91 -0.341 10.253 -15.032 759 1HZ LYS 91 1HZ LYS 91 1.090 10.741 -16.963 760 2HZ LYS 91 2HZ LYS 91 0.128 9.360 -17.198 761 3HZ LYS 91 3HZ LYS 91 1.778 9.196 -16.828 762 H GLU 92 H GLU 92 -1.125 12.321 -15.576 763 HA GLU 92 HA GLU 92 -3.716 13.694 -15.613 764 1HB GLU 92 2HB GLU 92 -2.210 11.680 -17.117 765 2HB GLU 92 1HB GLU 92 -3.922 11.276 -16.987 766 1HG GLU 92 2HG GLU 92 -4.470 13.596 -17.766 767 2HG GLU 92 1HG GLU 92 -2.748 13.867 -18.035 768 H ILE 93 H ILE 93 -3.937 13.227 -13.160 769 HA ILE 93 HA ILE 93 -5.005 10.472 -12.679 770 HB ILE 93 HB ILE 93 -3.834 12.642 -10.919 771 1HG1 ILE 93 2HG1 ILE 93 -2.316 11.104 -12.219 772 2HG1 ILE 93 1HG1 ILE 93 -2.112 11.004 -10.472 773 1HG2 ILE 93 1HG2 ILE 93 -4.195 11.049 -9.019 774 2HG2 ILE 93 2HG2 ILE 93 -5.178 10.051 -10.090 775 3HG2 ILE 93 3HG2 ILE 93 -5.700 11.686 -9.682 776 1HD1 ILE 93 1HD1 ILE 93 -2.168 8.751 -11.479 777 2HD1 ILE 93 2HD1 ILE 93 -3.757 9.092 -12.163 778 3HD1 ILE 93 3HD1 ILE 93 -3.553 8.997 -10.414 779 H GLU 94 H GLU 94 -7.140 10.255 -12.027 780 HA GLU 94 HA GLU 94 -8.720 12.784 -11.680 781 1HB GLU 94 2HB GLU 94 -9.152 11.618 -13.809 782 2HB GLU 94 1HB GLU 94 -9.473 10.121 -12.933 783 1HG GLU 94 2HG GLU 94 -11.526 10.841 -12.174 784 2HG GLU 94 1HG GLU 94 -11.034 12.534 -12.131 785 H LEU 95 H LEU 95 -9.212 12.901 -9.522 786 HA LEU 95 HA LEU 95 -10.320 10.462 -8.210 787 1HB LEU 95 2HB LEU 95 -7.725 11.246 -7.892 788 2HB LEU 95 1HB LEU 95 -8.499 12.154 -6.592 789 HG LEU 95 HG LEU 95 -9.701 9.778 -6.232 790 1HD1 LEU 95 1HD1 LEU 95 -8.193 7.947 -6.640 791 2HD1 LEU 95 2HD1 LEU 95 -6.919 9.047 -7.167 792 3HD1 LEU 95 3HD1 LEU 95 -8.363 8.830 -8.157 793 1HD2 LEU 95 1HD2 LEU 95 -8.607 10.849 -4.420 794 2HD2 LEU 95 2HD2 LEU 95 -7.036 10.761 -5.217 795 3HD2 LEU 95 3HD2 LEU 95 -7.788 9.296 -4.585 796 HA PRO 96 HA PRO 96 -12.727 14.367 -7.435 797 1HB PRO 96 2HB PRO 96 -15.180 13.264 -7.933 798 2HB PRO 96 1HB PRO 96 -14.162 13.976 -9.202 799 1HG PRO 96 2HG PRO 96 -14.530 11.117 -8.454 800 2HG PRO 96 1HG PRO 96 -14.418 11.857 -10.059 801 1HD PRO 96 2HD PRO 96 -12.341 10.564 -8.900 802 2HD PRO 96 1HD PRO 96 -12.120 11.937 -10.009 Start of MODEL 3 1 1H MET 1 1HT MET 1 -7.446 8.926 0.042 2 2H MET 1 2HT MET 1 -6.977 8.255 1.531 3 3H MET 1 3HT MET 1 -8.614 8.588 1.224 4 HA MET 1 HA MET 1 -6.938 6.419 0.106 5 1HB MET 1 2HB MET 1 -9.701 6.610 1.342 6 2HB MET 1 1HB MET 1 -8.849 5.120 0.938 7 1HG MET 1 2HG MET 1 -7.069 5.693 2.548 8 2HG MET 1 1HG MET 1 -7.911 7.191 2.947 9 1HE MET 1 1HE MET 1 -7.445 5.693 5.559 10 2HE MET 1 2HE MET 1 -6.865 4.489 4.410 11 3HE MET 1 3HE MET 1 -8.060 4.034 5.622 12 H LEU 2 H LEU 2 -9.052 5.019 -1.028 13 HA LEU 2 HA LEU 2 -9.937 6.838 -3.224 14 1HB LEU 2 2HB LEU 2 -8.192 5.143 -3.803 15 2HB LEU 2 1HB LEU 2 -9.368 3.888 -3.392 16 HG LEU 2 HG LEU 2 -10.368 6.014 -5.203 17 1HD1 LEU 2 1HD1 LEU 2 -9.174 4.216 -6.963 18 2HD1 LEU 2 2HD1 LEU 2 -7.908 4.545 -5.779 19 3HD1 LEU 2 3HD1 LEU 2 -8.652 5.873 -6.669 20 1HD2 LEU 2 1HD2 LEU 2 -11.490 4.130 -6.187 21 2HD2 LEU 2 2HD2 LEU 2 -11.603 3.974 -4.438 22 3HD2 LEU 2 3HD2 LEU 2 -10.446 2.998 -5.336 23 H THR 3 H THR 3 -11.913 6.468 -4.150 24 HA THR 3 HA THR 3 -13.848 5.003 -2.428 25 HB THR 3 HB THR 3 -13.459 7.718 -3.067 26 HG1 THR 3 HG1 THR 3 -15.478 7.816 -1.774 27 1HG2 THR 3 1HG2 THR 3 -15.497 8.455 -4.088 28 2HG2 THR 3 2HG2 THR 3 -16.192 6.836 -4.025 29 3HG2 THR 3 3HG2 THR 3 -14.864 7.183 -5.131 30 H GLY 4 H GLY 4 -15.889 4.466 -3.689 31 1HA GLY 4 2HA GLY 4 -15.476 2.663 -5.734 32 2HA GLY 4 1HA GLY 4 -16.997 3.526 -5.544 33 H LYS 5 H LYS 5 -16.967 5.822 -6.551 34 HA LYS 5 HA LYS 5 -16.587 5.673 -9.315 35 1HB LYS 5 2HB LYS 5 -16.778 8.159 -9.208 36 2HB LYS 5 1HB LYS 5 -17.957 7.337 -8.188 37 1HG LYS 5 2HG LYS 5 -16.505 7.684 -6.226 38 2HG LYS 5 1HG LYS 5 -15.327 8.515 -7.244 39 1HD LYS 5 2HD LYS 5 -16.542 10.315 -6.395 40 2HD LYS 5 1HD LYS 5 -17.395 10.006 -7.908 41 1HE LYS 5 2HE LYS 5 -18.608 8.273 -6.062 42 2HE LYS 5 1HE LYS 5 -18.397 9.802 -5.187 43 1HZ LYS 5 1HZ LYS 5 -19.391 9.711 -7.975 44 2HZ LYS 5 2HZ LYS 5 -19.477 10.998 -6.870 45 3HZ LYS 5 3HZ LYS 5 -20.445 9.620 -6.650 46 H GLN 6 H GLN 6 -14.166 6.690 -6.883 47 HA GLN 6 HA GLN 6 -12.290 7.753 -8.810 48 1HB GLN 6 2HB GLN 6 -11.988 6.598 -6.027 49 2HB GLN 6 1HB GLN 6 -10.772 7.579 -6.843 50 1HG GLN 6 2HG GLN 6 -12.282 9.477 -6.926 51 2HG GLN 6 1HG GLN 6 -13.606 8.503 -6.289 52 1HE2 GLN 6 1HE2 GLN 6 -10.276 8.234 -5.075 53 2HE2 GLN 6 2HE2 GLN 6 -10.602 8.886 -3.542 54 H LYS 7 H LYS 7 -13.134 4.558 -7.723 55 HA LYS 7 HA LYS 7 -10.692 3.182 -8.484 56 1HB LYS 7 2HB LYS 7 -12.452 2.408 -6.876 57 2HB LYS 7 1HB LYS 7 -13.569 2.231 -8.230 58 1HG LYS 7 2HG LYS 7 -12.224 0.527 -9.235 59 2HG LYS 7 1HG LYS 7 -10.888 0.851 -8.132 60 1HD LYS 7 2HD LYS 7 -13.604 -0.045 -7.152 61 2HD LYS 7 1HD LYS 7 -12.331 -1.191 -7.575 62 1HE LYS 7 2HE LYS 7 -11.501 -0.912 -5.481 63 2HE LYS 7 1HE LYS 7 -11.101 0.759 -5.926 64 1HZ LYS 7 1HZ LYS 7 -13.129 1.542 -5.165 65 2HZ LYS 7 2HZ LYS 7 -12.731 0.379 -3.992 66 3HZ LYS 7 3HZ LYS 7 -13.863 0.014 -5.204 67 H ARG 8 H ARG 8 -13.925 3.451 -10.048 68 HA ARG 8 HA ARG 8 -13.392 2.041 -12.408 69 1HB ARG 8 2HB ARG 8 -15.227 4.087 -11.417 70 2HB ARG 8 1HB ARG 8 -14.968 4.216 -13.157 71 1HG ARG 8 2HG ARG 8 -15.574 1.884 -13.473 72 2HG ARG 8 1HG ARG 8 -15.688 1.640 -11.731 73 1HD ARG 8 2HD ARG 8 -17.910 2.100 -12.044 74 2HD ARG 8 1HD ARG 8 -17.375 3.791 -12.119 75 HE ARG 8 HE ARG 8 -16.959 2.649 -14.684 76 1HH1 ARG 8 1HH1 ARG 8 -19.739 2.160 -12.923 77 2HH1 ARG 8 2HH1 ARG 8 -20.795 3.025 -13.988 78 1HH2 ARG 8 1HH2 ARG 8 -18.223 4.339 -15.905 79 2HH2 ARG 8 2HH2 ARG 8 -19.937 4.259 -15.675 80 H TYR 9 H TYR 9 -12.935 5.577 -11.917 81 HA TYR 9 HA TYR 9 -11.798 6.146 -14.467 82 1HB TYR 9 2HB TYR 9 -11.561 7.333 -11.701 83 2HB TYR 9 1HB TYR 9 -10.716 8.047 -13.075 84 HD1 TYR 9 HD1 TYR 9 -12.329 8.147 -15.296 85 HD2 TYR 9 HD2 TYR 9 -13.628 8.296 -11.204 86 HE1 TYR 9 HE1 TYR 9 -14.415 9.293 -15.999 87 HE2 TYR 9 HE2 TYR 9 -15.713 9.441 -11.907 88 HH TYR 9 HH TYR 9 -17.046 9.862 -13.759 89 H LEU 10 H LEU 10 -10.137 5.656 -11.364 90 HA LEU 10 HA LEU 10 -7.523 5.666 -12.561 91 1HB LEU 10 2HB LEU 10 -8.705 5.944 -10.064 92 2HB LEU 10 1HB LEU 10 -7.767 4.451 -9.921 93 HG LEU 10 HG LEU 10 -6.684 7.002 -11.110 94 1HD1 LEU 10 1HD1 LEU 10 -6.656 5.952 -8.282 95 2HD1 LEU 10 2HD1 LEU 10 -6.954 7.596 -8.848 96 3HD1 LEU 10 3HD1 LEU 10 -5.321 6.934 -8.880 97 1HD2 LEU 10 1HD2 LEU 10 -5.725 4.707 -11.702 98 2HD2 LEU 10 2HD2 LEU 10 -5.255 4.563 -10.009 99 3HD2 LEU 10 3HD2 LEU 10 -4.572 5.847 -11.007 100 H ARG 11 H ARG 11 -9.570 2.993 -11.326 101 HA ARG 11 HA ARG 11 -7.691 0.937 -11.518 102 1HB ARG 11 2HB ARG 11 -9.594 -0.531 -11.546 103 2HB ARG 11 1HB ARG 11 -10.092 0.900 -10.649 104 1HG ARG 11 2HG ARG 11 -11.897 0.674 -12.085 105 2HG ARG 11 1HG ARG 11 -10.862 1.721 -13.055 106 1HD ARG 11 2HD ARG 11 -10.459 0.087 -14.604 107 2HD ARG 11 1HD ARG 11 -10.342 -1.182 -13.368 108 HE ARG 11 HE ARG 11 -12.846 -1.110 -13.228 109 1HH1 ARG 11 1HH2 ARG 11 -12.951 1.508 -14.872 110 2HH1 ARG 11 2HH2 ARG 11 -13.574 0.907 -16.373 111 1HH2 ARG 11 1HH1 ARG 11 -12.914 -2.412 -15.625 112 2HH2 ARG 11 2HH1 ARG 11 -13.554 -1.311 -16.798 113 H SER 12 H SER 12 -9.460 2.554 -14.106 114 HA SER 12 HA SER 12 -8.663 0.623 -16.164 115 1HB SER 12 2HB SER 12 -10.077 3.269 -16.007 116 2HB SER 12 1HB SER 12 -9.558 2.658 -17.576 117 HG SER 12 HG SER 12 -11.340 1.545 -17.460 118 H LEU 13 H LEU 13 -7.506 3.786 -14.998 119 HA LEU 13 HA LEU 13 -5.723 4.476 -17.093 120 1HB LEU 13 2HB LEU 13 -5.738 4.831 -14.094 121 2HB LEU 13 1HB LEU 13 -4.470 5.533 -15.084 122 HG LEU 13 HG LEU 13 -6.899 6.722 -14.451 123 1HD1 LEU 13 1HD1 LEU 13 -4.767 7.218 -16.502 124 2HD1 LEU 13 2HD1 LEU 13 -5.108 8.096 -15.013 125 3HD1 LEU 13 3HD1 LEU 13 -6.164 8.290 -16.412 126 1HD2 LEU 13 1HD2 LEU 13 -8.098 5.307 -16.097 127 2HD2 LEU 13 2HD2 LEU 13 -7.003 5.861 -17.362 128 3HD2 LEU 13 3HD2 LEU 13 -8.095 7.001 -16.581 129 H ALA 14 H ALA 14 -5.009 2.558 -14.154 130 HA ALA 14 HA ALA 14 -2.283 2.027 -14.669 131 1HB ALA 14 1HB ALA 14 -4.111 1.432 -12.764 132 2HB ALA 14 2HB ALA 14 -2.539 0.638 -12.868 133 3HB ALA 14 3HB ALA 14 -3.968 -0.144 -13.545 134 H HIS 15 H HIS 15 -5.196 0.430 -15.929 135 HA HIS 15 HA HIS 15 -4.111 -1.916 -17.038 136 1HB HIS 15 2HB HIS 15 -6.518 -0.652 -16.981 137 2HB HIS 15 1HB HIS 15 -6.068 -0.384 -18.665 138 HD1 HIS 15 HD1 HIS 15 -8.373 -2.355 -17.775 139 HD2 HIS 15 HD2 HIS 15 -4.471 -3.492 -18.704 140 HE1 HIS 15 HE1 HIS 15 -8.478 -4.797 -18.438 141 H ASN 16 H ASN 16 -3.735 1.405 -18.070 142 HA ASN 16 HA ASN 16 -2.536 0.547 -20.656 143 1HB ASN 16 2HB ASN 16 -4.295 2.406 -20.303 144 2HB ASN 16 1HB ASN 16 -2.967 3.355 -19.635 145 1HD2 ASN 16 1HD2 ASN 16 -2.968 4.859 -21.453 146 2HD2 ASN 16 2HD2 ASN 16 -2.413 4.391 -22.988 147 H ILE 17 H ILE 17 -1.649 1.809 -17.500 148 HA ILE 17 HA ILE 17 0.941 2.831 -18.249 149 HB ILE 17 HB ILE 17 0.040 1.796 -15.567 150 1HG1 ILE 17 2HG1 ILE 17 -0.810 4.252 -17.106 151 2HG1 ILE 17 1HG1 ILE 17 -1.790 3.167 -16.140 152 1HG2 ILE 17 1HG2 ILE 17 1.448 3.794 -14.857 153 2HG2 ILE 17 2HG2 ILE 17 2.000 3.846 -16.529 154 3HG2 ILE 17 3HG2 ILE 17 2.297 2.418 -15.540 155 1HD1 ILE 17 1HD1 ILE 17 -1.508 5.368 -15.042 156 2HD1 ILE 17 2HD1 ILE 17 0.238 5.114 -15.018 157 3HD1 ILE 17 3HD1 ILE 17 -0.821 4.058 -14.081 158 H ASP 18 H ASP 18 2.926 1.768 -17.165 159 HA ASP 18 HA ASP 18 2.874 -1.131 -17.834 160 1HB ASP 18 2HB ASP 18 4.562 1.109 -18.469 161 2HB ASP 18 1HB ASP 18 5.520 -0.139 -17.672 162 HA PRO 19 HA PRO 19 4.085 -2.017 -13.616 163 1HB PRO 19 2HB PRO 19 4.663 -4.663 -14.012 164 2HB PRO 19 1HB PRO 19 3.014 -4.032 -13.897 165 1HG PRO 19 2HG PRO 19 4.447 -5.044 -16.218 166 2HG PRO 19 1HG PRO 19 2.714 -4.825 -15.963 167 1HD PRO 19 2HD PRO 19 4.491 -3.164 -17.459 168 2HD PRO 19 1HD PRO 19 2.754 -2.944 -17.177 169 H ILE 20 H ILE 20 6.052 -1.914 -12.602 170 HA ILE 20 HA ILE 20 8.566 -2.405 -14.184 171 HB ILE 20 HB ILE 20 8.806 -0.586 -11.872 172 1HG1 ILE 20 2HG1 ILE 20 7.966 1.445 -12.990 173 2HG1 ILE 20 1HG1 ILE 20 7.303 0.475 -14.296 174 1HG2 ILE 20 1HG2 ILE 20 10.298 -1.252 -14.010 175 2HG2 ILE 20 2HG2 ILE 20 10.510 0.242 -13.096 176 3HG2 ILE 20 3HG2 ILE 20 9.577 0.247 -14.593 177 1HD1 ILE 20 1HD1 ILE 20 6.410 -0.374 -11.637 178 2HD1 ILE 20 2HD1 ILE 20 5.455 -0.064 -13.081 179 3HD1 ILE 20 3HD1 ILE 20 5.935 1.274 -12.037 180 H PHE 21 H PHE 21 6.787 -2.910 -11.317 181 HA PHE 21 HA PHE 21 9.051 -4.245 -9.930 182 1HB PHE 21 2HB PHE 21 7.074 -3.941 -8.057 183 2HB PHE 21 1HB PHE 21 8.323 -2.742 -8.351 184 HD1 PHE 21 HD1 PHE 21 7.629 -0.561 -8.670 185 HD2 PHE 21 HD2 PHE 21 4.980 -3.734 -9.788 186 HE1 PHE 21 HE1 PHE 21 5.919 1.105 -9.319 187 HE2 PHE 21 HE2 PHE 21 3.276 -2.064 -10.464 188 HZ PHE 21 HZ PHE 21 3.752 0.349 -10.236 189 H GLN 22 H GLN 22 8.848 -6.420 -9.452 190 HA GLN 22 HA GLN 22 6.194 -7.707 -9.980 191 1HB GLN 22 2HB GLN 22 8.909 -8.173 -11.111 192 2HB GLN 22 1HB GLN 22 7.940 -9.606 -10.766 193 1HG GLN 22 2HG GLN 22 6.282 -7.617 -12.026 194 2HG GLN 22 1HG GLN 22 7.724 -7.886 -13.006 195 1HE2 GLN 22 1HE2 GLN 22 7.407 -9.529 -14.503 196 2HE2 GLN 22 2HE2 GLN 22 6.447 -10.907 -14.255 197 H ILE 23 H ILE 23 5.544 -8.913 -8.262 198 HA ILE 23 HA ILE 23 7.317 -9.383 -5.981 199 HB ILE 23 HB ILE 23 4.456 -9.602 -6.731 200 1HG1 ILE 23 2HG1 ILE 23 5.375 -7.727 -5.448 201 2HG1 ILE 23 1HG1 ILE 23 4.180 -8.610 -4.496 202 1HG2 ILE 23 1HG2 ILE 23 3.798 -11.113 -4.965 203 2HG2 ILE 23 2HG2 ILE 23 5.457 -11.249 -4.389 204 3HG2 ILE 23 3HG2 ILE 23 5.001 -11.957 -5.934 205 1HD1 ILE 23 1HD1 ILE 23 6.245 -9.974 -3.648 206 2HD1 ILE 23 2HD1 ILE 23 5.939 -8.373 -2.975 207 3HD1 ILE 23 3HD1 ILE 23 7.172 -8.585 -4.217 208 H GLY 24 H GLY 24 8.148 -11.427 -5.365 209 1HA GLY 24 2HA GLY 24 8.363 -13.393 -7.548 210 2HA GLY 24 1HA GLY 24 9.225 -13.457 -6.009 211 H LYS 25 H LYS 25 7.943 -15.748 -7.010 212 HA LYS 25 HA LYS 25 5.296 -15.981 -5.792 213 1HB LYS 25 2HB LYS 25 5.890 -17.175 -7.832 214 2HB LYS 25 1HB LYS 25 7.226 -17.978 -7.005 215 1HG LYS 25 2HG LYS 25 5.026 -18.507 -5.380 216 2HG LYS 25 1HG LYS 25 4.386 -18.651 -7.018 217 1HD LYS 25 2HD LYS 25 6.300 -20.152 -7.587 218 2HD LYS 25 1HD LYS 25 6.810 -20.083 -5.899 219 1HE LYS 25 2HE LYS 25 5.485 -21.975 -5.764 220 2HE LYS 25 1HE LYS 25 4.204 -20.763 -5.557 221 1HZ LYS 25 1HZ LYS 25 5.085 -22.013 -8.104 222 2HZ LYS 25 2HZ LYS 25 4.020 -20.692 -8.015 223 3HZ LYS 25 3HZ LYS 25 3.575 -22.191 -7.349 224 H GLY 26 H GLY 26 5.353 -15.799 -3.588 225 1HA GLY 26 2HA GLY 26 6.027 -17.919 -1.914 226 2HA GLY 26 1HA GLY 26 7.461 -16.885 -1.931 227 H GLY 27 H GLY 27 6.135 -14.373 -2.205 228 1HA GLY 27 2HA GLY 27 4.013 -13.723 -0.594 229 2HA GLY 27 1HA GLY 27 5.323 -13.962 0.568 230 H ILE 28 H ILE 28 4.123 -11.417 0.151 231 HA ILE 28 HA ILE 28 5.584 -9.816 -1.728 232 HB ILE 28 HB ILE 28 4.081 -9.256 0.844 233 1HG1 ILE 28 2HG1 ILE 28 3.400 -8.881 -2.089 234 2HG1 ILE 28 1HG1 ILE 28 2.790 -10.168 -1.047 235 1HG2 ILE 28 1HG2 ILE 28 4.029 -6.890 -0.479 236 2HG2 ILE 28 2HG2 ILE 28 5.639 -7.449 -0.927 237 3HG2 ILE 28 3HG2 ILE 28 5.211 -7.263 0.773 238 1HD1 ILE 28 1HD1 ILE 28 1.358 -8.778 0.064 239 2HD1 ILE 28 2HD1 ILE 28 1.451 -7.869 -1.444 240 3HD1 ILE 28 3HD1 ILE 28 2.435 -7.389 -0.062 241 H ASN 29 H ASN 29 7.783 -9.515 -1.608 242 HA ASN 29 HA ASN 29 9.105 -9.507 1.079 243 1HB ASN 29 2HB ASN 29 9.900 -10.108 -1.756 244 2HB ASN 29 1HB ASN 29 11.147 -9.665 -0.589 245 1HD2 ASN 29 1HD2 ASN 29 11.629 -12.135 -1.277 246 2HD2 ASN 29 2HD2 ASN 29 10.974 -13.296 -0.226 247 H GLU 30 H GLU 30 10.146 -7.630 1.809 248 HA GLU 30 HA GLU 30 9.516 -5.064 0.806 249 1HB GLU 30 2HB GLU 30 10.422 -5.458 3.038 250 2HB GLU 30 1HB GLU 30 11.932 -6.066 2.356 251 1HG GLU 30 2HG GLU 30 12.370 -3.852 1.341 252 2HG GLU 30 1HG GLU 30 10.862 -3.241 2.024 253 H ASN 31 H ASN 31 12.119 -7.281 -0.134 254 HA ASN 31 HA ASN 31 13.852 -5.582 -1.554 255 1HB ASN 31 2HB ASN 31 12.801 -8.374 -2.117 256 2HB ASN 31 1HB ASN 31 14.147 -7.661 -3.007 257 1HD2 ASN 31 1HD2 ASN 31 16.100 -7.033 -1.690 258 2HD2 ASN 31 2HD2 ASN 31 16.420 -7.862 -0.243 259 H MET 32 H MET 32 10.724 -6.941 -2.502 260 HA MET 32 HA MET 32 10.728 -5.782 -5.172 261 1HB MET 32 2HB MET 32 9.024 -7.412 -3.411 262 2HB MET 32 1HB MET 32 8.109 -6.320 -4.452 263 1HG MET 32 2HG MET 32 8.395 -7.816 -6.111 264 2HG MET 32 1HG MET 32 10.096 -7.362 -6.119 265 1HE MET 32 1HE MET 32 10.219 -10.787 -6.822 266 2HE MET 32 2HE MET 32 11.693 -10.169 -6.081 267 3HE MET 32 3HE MET 32 10.712 -9.110 -7.092 268 H ILE 33 H ILE 33 9.361 -4.905 -1.978 269 HA ILE 33 HA ILE 33 7.960 -2.582 -2.934 270 HB ILE 33 HB ILE 33 9.086 -3.212 -0.196 271 1HG1 ILE 33 2HG1 ILE 33 6.341 -3.666 -1.424 272 2HG1 ILE 33 1HG1 ILE 33 7.524 -4.928 -1.081 273 1HG2 ILE 33 1HG2 ILE 33 8.028 -1.319 0.553 274 2HG2 ILE 33 2HG2 ILE 33 6.660 -1.542 -0.537 275 3HG2 ILE 33 3HG2 ILE 33 8.144 -0.798 -1.128 276 1HD1 ILE 33 1HD1 ILE 33 6.265 -3.093 0.971 277 2HD1 ILE 33 2HD1 ILE 33 7.450 -4.352 1.312 278 3HD1 ILE 33 3HD1 ILE 33 5.849 -4.786 0.716 279 H LYS 34 H LYS 34 11.293 -3.215 -1.987 280 HA LYS 34 HA LYS 34 12.194 -0.540 -1.598 281 1HB LYS 34 2HB LYS 34 13.399 -3.124 -2.600 282 2HB LYS 34 1HB LYS 34 14.370 -1.652 -2.566 283 1HG LYS 34 2HG LYS 34 12.913 -1.975 -0.079 284 2HG LYS 34 1HG LYS 34 13.898 -3.400 -0.416 285 1HD LYS 34 2HD LYS 34 15.868 -2.253 -0.214 286 2HD LYS 34 1HD LYS 34 15.197 -0.774 -0.902 287 1HE LYS 34 2HE LYS 34 15.427 -0.120 1.325 288 2HE LYS 34 1HE LYS 34 13.786 -0.798 1.379 289 1HZ LYS 34 1HZ LYS 34 15.218 -1.763 3.100 290 2HZ LYS 34 2HZ LYS 34 16.284 -2.322 1.900 291 3HZ LYS 34 3HZ LYS 34 14.701 -2.933 1.987 292 H GLN 35 H GLN 35 11.923 -2.568 -4.507 293 HA GLN 35 HA GLN 35 12.747 -0.531 -6.394 294 1HB GLN 35 2HB GLN 35 12.837 -2.933 -6.872 295 2HB GLN 35 1HB GLN 35 11.097 -3.075 -6.614 296 1HG GLN 35 2HG GLN 35 10.592 -1.829 -8.569 297 2HG GLN 35 1HG GLN 35 12.241 -1.217 -8.700 298 1HE2 GLN 35 1HE2 GLN 35 11.135 -4.595 -8.138 299 2HE2 GLN 35 2HE2 GLN 35 11.882 -5.228 -9.524 300 H ILE 36 H ILE 36 9.545 -1.899 -5.521 301 HA ILE 36 HA ILE 36 7.887 -0.171 -7.007 302 HB ILE 36 HB ILE 36 7.523 -1.363 -4.256 303 1HG1 ILE 36 2HG1 ILE 36 6.361 -2.445 -6.789 304 2HG1 ILE 36 1HG1 ILE 36 8.053 -2.776 -6.423 305 1HG2 ILE 36 1HG2 ILE 36 5.529 -0.245 -6.241 306 2HG2 ILE 36 2HG2 ILE 36 5.848 0.350 -4.613 307 3HG2 ILE 36 3HG2 ILE 36 5.082 -1.222 -4.844 308 1HD1 ILE 36 1HD1 ILE 36 7.451 -4.353 -4.948 309 2HD1 ILE 36 2HD1 ILE 36 5.765 -4.091 -5.395 310 3HD1 ILE 36 3HD1 ILE 36 6.476 -3.182 -4.060 311 H ASP 37 H ASP 37 9.608 0.332 -3.989 312 HA ASP 37 HA ASP 37 8.295 2.581 -2.944 313 1HB ASP 37 2HB ASP 37 10.771 1.161 -2.642 314 2HB ASP 37 1HB ASP 37 11.117 2.888 -2.623 315 H ASP 38 H ASP 38 11.186 2.534 -5.080 316 HA ASP 38 HA ASP 38 11.068 5.382 -5.662 317 1HB ASP 38 2HB ASP 38 12.847 3.242 -5.932 318 2HB ASP 38 1HB ASP 38 12.464 3.692 -7.594 319 H THR 39 H THR 39 10.093 2.433 -7.403 320 HA THR 39 HA THR 39 9.248 3.548 -9.898 321 HB THR 39 HB THR 39 7.832 1.357 -8.400 322 HG1 THR 39 HG1 THR 39 9.570 0.145 -8.511 323 1HG2 THR 39 1HG2 THR 39 7.061 1.965 -10.624 324 2HG2 THR 39 2HG2 THR 39 7.857 0.398 -10.667 325 3HG2 THR 39 3HG2 THR 39 8.703 1.825 -11.251 326 H LEU 40 H LEU 40 7.561 3.238 -6.769 327 HA LEU 40 HA LEU 40 5.100 4.471 -7.848 328 1HB LEU 40 2HB LEU 40 4.952 2.598 -6.304 329 2HB LEU 40 1HB LEU 40 5.983 3.425 -5.138 330 HG LEU 40 HG LEU 40 4.286 5.170 -4.841 331 1HD1 LEU 40 1HD1 LEU 40 1.961 4.356 -5.941 332 2HD1 LEU 40 2HD1 LEU 40 3.082 3.753 -7.162 333 3HD1 LEU 40 3HD1 LEU 40 3.059 5.469 -6.757 334 1HD2 LEU 40 1HD2 LEU 40 3.441 3.819 -3.248 335 2HD2 LEU 40 2HD2 LEU 40 3.999 2.406 -4.142 336 3HD2 LEU 40 3HD2 LEU 40 2.393 3.066 -4.450 337 H GLU 41 H GLU 41 7.652 5.240 -5.461 338 HA GLU 41 HA GLU 41 6.681 7.694 -4.483 339 1HB GLU 41 2HB GLU 41 8.642 6.538 -3.609 340 2HB GLU 41 1HB GLU 41 9.493 6.752 -5.139 341 1HG GLU 41 2HG GLU 41 9.789 9.051 -4.804 342 2HG GLU 41 1HG GLU 41 8.462 9.152 -3.647 343 H ASN 42 H ASN 42 7.963 6.916 -7.635 344 HA ASN 42 HA ASN 42 8.337 9.769 -8.355 345 1HB ASN 42 2HB ASN 42 9.848 7.751 -8.950 346 2HB ASN 42 1HB ASN 42 8.604 7.339 -10.130 347 1HD2 ASN 42 1HD2 ASN 42 8.452 8.630 -12.038 348 2HD2 ASN 42 2HD2 ASN 42 9.518 9.906 -12.379 349 H ARG 43 H ARG 43 6.496 6.956 -9.627 350 HA ARG 43 HA ARG 43 4.802 8.689 -11.277 351 1HB ARG 43 2HB ARG 43 5.145 5.772 -10.687 352 2HB ARG 43 1HB ARG 43 3.641 6.299 -11.445 353 1HG ARG 43 2HG ARG 43 4.671 6.872 -13.409 354 2HG ARG 43 1HG ARG 43 6.144 7.408 -12.600 355 1HD ARG 43 2HD ARG 43 6.826 5.074 -12.232 356 2HD ARG 43 1HD ARG 43 5.323 4.506 -12.985 357 HE ARG 43 HE ARG 43 6.432 6.267 -14.846 358 1HH1 ARG 43 1HH1 ARG 43 6.053 3.221 -15.124 359 2HH1 ARG 43 2HH1 ARG 43 7.662 2.739 -15.547 360 1HH2 ARG 43 1HH2 ARG 43 9.100 5.737 -14.569 361 2HH2 ARG 43 2HH2 ARG 43 9.385 4.162 -15.233 362 H GLU 44 H GLU 44 2.292 7.860 -11.044 363 HA GLU 44 HA GLU 44 1.539 8.314 -8.178 364 1HB GLU 44 2HB GLU 44 -0.497 9.454 -9.233 365 2HB GLU 44 1HB GLU 44 1.039 10.289 -9.439 366 1HG GLU 44 2HG GLU 44 0.168 8.334 -11.540 367 2HG GLU 44 1HG GLU 44 -0.573 9.931 -11.503 368 H LEU 45 H LEU 45 0.856 6.599 -11.180 369 HA LEU 45 HA LEU 45 -1.108 4.856 -9.729 370 1HB LEU 45 2HB LEU 45 -1.940 6.099 -11.714 371 2HB LEU 45 1HB LEU 45 -0.669 5.367 -12.687 372 HG LEU 45 HG LEU 45 -1.597 3.136 -12.330 373 1HD1 LEU 45 1HD1 LEU 45 -2.526 2.935 -10.244 374 2HD1 LEU 45 2HD1 LEU 45 -4.006 3.323 -11.121 375 3HD1 LEU 45 3HD1 LEU 45 -3.144 4.587 -10.242 376 1HD2 LEU 45 1HD2 LEU 45 -2.804 3.829 -14.130 377 2HD2 LEU 45 2HD2 LEU 45 -3.222 5.367 -13.382 378 3HD2 LEU 45 3HD2 LEU 45 -4.148 3.917 -12.995 379 H ILE 46 H ILE 46 -0.610 2.586 -9.725 380 HA ILE 46 HA ILE 46 1.840 1.792 -11.227 381 HB ILE 46 HB ILE 46 2.400 0.587 -8.916 382 1HG1 ILE 46 2HG1 ILE 46 1.344 3.124 -7.753 383 2HG1 ILE 46 1HG1 ILE 46 0.178 1.833 -8.048 384 1HG2 ILE 46 1HG2 ILE 46 3.954 2.360 -8.477 385 2HG2 ILE 46 2HG2 ILE 46 2.921 3.547 -9.275 386 3HG2 ILE 46 3HG2 ILE 46 3.731 2.301 -10.226 387 1HD1 ILE 46 1HD1 ILE 46 2.199 0.413 -6.910 388 2HD1 ILE 46 2HD1 ILE 46 0.858 1.103 -5.997 389 3HD1 ILE 46 3HD1 ILE 46 2.396 1.962 -6.089 390 H LYS 47 H LYS 47 1.134 0.126 -12.459 391 HA LYS 47 HA LYS 47 -0.786 -1.869 -11.353 392 1HB LYS 47 2HB LYS 47 -0.416 -2.866 -13.718 393 2HB LYS 47 1HB LYS 47 -1.213 -1.299 -13.651 394 1HG LYS 47 2HG LYS 47 0.516 -0.243 -14.683 395 2HG LYS 47 1HG LYS 47 1.732 -1.179 -13.812 396 1HD LYS 47 2HD LYS 47 1.670 -1.640 -16.288 397 2HD LYS 47 1HD LYS 47 1.432 -3.073 -15.293 398 1HE LYS 47 2HE LYS 47 -1.073 -2.732 -15.584 399 2HE LYS 47 1HE LYS 47 -0.681 -1.488 -16.787 400 1HZ LYS 47 1HZ LYS 47 -0.939 -3.898 -17.593 401 2HZ LYS 47 2HZ LYS 47 0.591 -4.149 -16.899 402 3HZ LYS 47 3HZ LYS 47 0.396 -3.008 -18.143 403 H VAL 48 H VAL 48 0.379 -3.266 -9.941 404 HA VAL 48 HA VAL 48 3.173 -3.974 -10.640 405 HB VAL 48 HB VAL 48 1.478 -4.676 -8.204 406 1HG1 VAL 48 1HG1 VAL 48 4.101 -5.283 -8.989 407 2HG1 VAL 48 2HG1 VAL 48 3.343 -5.581 -7.426 408 3HG1 VAL 48 3HG1 VAL 48 4.235 -4.085 -7.702 409 1HG2 VAL 48 1HG2 VAL 48 1.598 -2.580 -7.372 410 2HG2 VAL 48 2HG2 VAL 48 2.035 -2.052 -8.993 411 3HG2 VAL 48 3HG2 VAL 48 3.295 -2.424 -7.820 412 H HIS 49 H HIS 49 3.767 -6.195 -10.961 413 HA HIS 49 HA HIS 49 1.527 -8.113 -11.480 414 1HB HIS 49 2HB HIS 49 3.446 -7.518 -13.101 415 2HB HIS 49 1HB HIS 49 4.492 -8.437 -12.017 416 HD1 HIS 49 HD1 HIS 49 2.666 -8.928 -14.991 417 HD2 HIS 49 HD2 HIS 49 3.048 -11.163 -11.494 418 HE1 HIS 49 HE1 HIS 49 1.981 -11.295 -15.576 419 H VAL 50 H VAL 50 1.215 -9.870 -10.124 420 HA VAL 50 HA VAL 50 3.196 -10.254 -7.906 421 HB VAL 50 HB VAL 50 0.200 -10.664 -8.112 422 1HG1 VAL 50 1HG1 VAL 50 1.999 -11.164 -5.725 423 2HG1 VAL 50 2HG1 VAL 50 1.338 -12.439 -6.746 424 3HG1 VAL 50 3HG1 VAL 50 0.255 -11.415 -5.801 425 1HG2 VAL 50 1HG2 VAL 50 0.313 -8.460 -7.557 426 2HG2 VAL 50 2HG2 VAL 50 2.003 -8.575 -7.069 427 3HG2 VAL 50 3HG2 VAL 50 0.727 -9.057 -5.951 428 H LEU 51 H LEU 51 4.039 -12.212 -7.542 429 HA LEU 51 HA LEU 51 3.712 -14.235 -9.598 430 1HB LEU 51 2HB LEU 51 5.549 -13.435 -7.505 431 2HB LEU 51 1HB LEU 51 5.404 -15.172 -7.659 432 HG LEU 51 HG LEU 51 7.204 -14.223 -9.122 433 1HD1 LEU 51 1HD1 LEU 51 6.774 -16.058 -10.347 434 2HD1 LEU 51 2HD1 LEU 51 5.564 -15.155 -11.259 435 3HD1 LEU 51 3HD1 LEU 51 5.095 -16.040 -9.806 436 1HD2 LEU 51 1HD2 LEU 51 6.793 -12.402 -10.386 437 2HD2 LEU 51 2HD2 LEU 51 5.153 -12.348 -9.745 438 3HD2 LEU 51 3HD2 LEU 51 5.492 -13.251 -11.221 439 H GLN 52 H GLN 52 1.328 -13.963 -7.955 440 HA GLN 52 HA GLN 52 1.403 -16.351 -6.177 441 1HB GLN 52 2HB GLN 52 0.102 -13.818 -6.198 442 2HB GLN 52 1HB GLN 52 -1.156 -15.045 -6.351 443 1HG GLN 52 2HG GLN 52 -0.685 -14.573 -3.978 444 2HG GLN 52 1HG GLN 52 -0.236 -16.229 -4.385 445 1HE2 GLN 52 1HE2 GLN 52 1.368 -16.237 -2.613 446 2HE2 GLN 52 2HE2 GLN 52 2.837 -15.403 -2.776 447 H ASN 53 H ASN 53 0.026 -15.183 -9.201 448 HA ASN 53 HA ASN 53 -1.107 -16.323 -10.928 449 1HB ASN 53 2HB ASN 53 0.807 -18.009 -9.860 450 2HB ASN 53 1HB ASN 53 -0.655 -18.992 -9.780 451 1HD2 ASN 53 1HD2 ASN 53 1.829 -17.935 -11.877 452 2HD2 ASN 53 2HD2 ASN 53 1.111 -18.399 -13.344 453 H ASN 54 H ASN 54 -2.292 -15.983 -7.972 454 HA ASN 54 HA ASN 54 -4.693 -17.698 -8.511 455 1HB ASN 54 2HB ASN 54 -2.884 -17.777 -6.376 456 2HB ASN 54 1HB ASN 54 -4.284 -16.916 -5.738 457 1HD2 ASN 54 1HD2 ASN 54 -6.197 -18.117 -5.339 458 2HD2 ASN 54 2HD2 ASN 54 -6.341 -19.778 -5.656 459 H PHE 55 H PHE 55 -6.733 -16.734 -7.661 460 HA PHE 55 HA PHE 55 -6.804 -13.836 -8.158 461 1HB PHE 55 2HB PHE 55 -8.459 -16.032 -8.568 462 2HB PHE 55 1HB PHE 55 -9.258 -15.152 -7.265 463 HD1 PHE 55 HD1 PHE 55 -10.809 -13.558 -7.927 464 HD2 PHE 55 HD2 PHE 55 -7.409 -14.328 -10.436 465 HE1 PHE 55 HE1 PHE 55 -11.634 -11.881 -9.556 466 HE2 PHE 55 HE2 PHE 55 -8.234 -12.651 -12.067 467 HZ PHE 55 HZ PHE 55 -10.345 -11.427 -11.626 468 H ASP 56 H ASP 56 -8.107 -15.901 -5.507 469 HA ASP 56 HA ASP 56 -8.490 -13.666 -3.744 470 1HB ASP 56 2HB ASP 56 -9.218 -16.334 -3.904 471 2HB ASP 56 1HB ASP 56 -8.175 -16.277 -2.483 472 H ASP 57 H ASP 57 -5.724 -15.395 -4.573 473 HA ASP 57 HA ASP 57 -4.296 -14.932 -2.036 474 1HB ASP 57 2HB ASP 57 -4.085 -16.870 -3.804 475 2HB ASP 57 1HB ASP 57 -3.035 -15.731 -4.650 476 H LYS 58 H LYS 58 -4.130 -13.751 -5.414 477 HA LYS 58 HA LYS 58 -2.050 -11.846 -5.071 478 1HB LYS 58 2HB LYS 58 -4.232 -12.477 -6.934 479 2HB LYS 58 1HB LYS 58 -3.840 -10.757 -6.899 480 1HG LYS 58 2HG LYS 58 -1.342 -11.723 -6.969 481 2HG LYS 58 1HG LYS 58 -2.162 -13.065 -7.769 482 1HD LYS 58 2HD LYS 58 -1.452 -11.451 -9.452 483 2HD LYS 58 1HD LYS 58 -3.212 -11.430 -9.340 484 1HE LYS 58 2HE LYS 58 -2.156 -9.569 -7.417 485 2HE LYS 58 1HE LYS 58 -1.445 -9.226 -9.008 486 1HZ LYS 58 1HZ LYS 58 -3.546 -8.136 -8.921 487 2HZ LYS 58 2HZ LYS 58 -4.325 -9.535 -8.355 488 3HZ LYS 58 3HZ LYS 58 -3.724 -9.480 -9.943 489 H LYS 59 H LYS 59 -5.483 -11.746 -4.279 490 HA LYS 59 HA LYS 59 -5.680 -8.921 -3.746 491 1HB LYS 59 2HB LYS 59 -7.594 -10.429 -4.136 492 2HB LYS 59 1HB LYS 59 -7.194 -11.328 -2.673 493 1HG LYS 59 2HG LYS 59 -7.438 -9.127 -1.406 494 2HG LYS 59 1HG LYS 59 -8.143 -8.463 -2.881 495 1HD LYS 59 2HD LYS 59 -10.121 -9.454 -2.461 496 2HD LYS 59 1HD LYS 59 -9.342 -11.023 -2.248 497 1HE LYS 59 2HE LYS 59 -9.075 -9.005 -0.042 498 2HE LYS 59 1HE LYS 59 -10.605 -9.890 -0.206 499 1HZ LYS 59 1HZ LYS 59 -9.533 -11.936 -0.035 500 2HZ LYS 59 2HZ LYS 59 -8.753 -10.992 1.142 501 3HZ LYS 59 3HZ LYS 59 -8.001 -11.281 -0.354 502 H GLU 60 H GLU 60 -5.115 -11.767 -1.645 503 HA GLU 60 HA GLU 60 -4.897 -10.445 0.846 504 1HB GLU 60 2HB GLU 60 -4.520 -12.992 -0.234 505 2HB GLU 60 1HB GLU 60 -2.936 -12.577 0.420 506 1HG GLU 60 2HG GLU 60 -4.408 -11.748 2.484 507 2HG GLU 60 1HG GLU 60 -5.538 -12.941 1.844 508 H LEU 61 H LEU 61 -2.345 -11.072 -1.598 509 HA LEU 61 HA LEU 61 -0.149 -9.942 -0.237 510 1HB LEU 61 2HB LEU 61 -1.004 -10.408 -3.049 511 2HB LEU 61 1HB LEU 61 0.325 -9.271 -2.825 512 HG LEU 61 HG LEU 61 1.095 -11.255 -1.134 513 1HD1 LEU 61 1HD1 LEU 61 0.671 -13.411 -2.176 514 2HD1 LEU 61 2HD1 LEU 61 -0.220 -12.641 -3.489 515 3HD1 LEU 61 3HD1 LEU 61 -0.875 -12.629 -1.852 516 1HD2 LEU 61 1HD2 LEU 61 1.832 -11.818 -3.930 517 2HD2 LEU 61 2HD2 LEU 61 2.859 -11.378 -2.567 518 3HD2 LEU 61 3HD2 LEU 61 2.012 -10.124 -3.473 519 H ALA 62 H ALA 62 -2.477 -8.311 -2.437 520 HA ALA 62 HA ALA 62 -1.480 -5.676 -2.222 521 1HB ALA 62 1HB ALA 62 -3.760 -5.034 -2.848 522 2HB ALA 62 2HB ALA 62 -4.363 -6.610 -2.330 523 3HB ALA 62 3HB ALA 62 -3.292 -6.490 -3.727 524 H GLU 63 H GLU 63 -3.278 -7.624 0.079 525 HA GLU 63 HA GLU 63 -4.207 -5.568 1.810 526 1HB GLU 63 2HB GLU 63 -4.602 -8.153 1.721 527 2HB GLU 63 1HB GLU 63 -3.163 -8.228 2.737 528 1HG GLU 63 2HG GLU 63 -5.151 -6.236 3.608 529 2HG GLU 63 1HG GLU 63 -5.713 -7.905 3.686 530 H THR 64 H THR 64 -1.239 -7.273 1.538 531 HA THR 64 HA THR 64 0.077 -5.793 3.731 532 HB THR 64 HB THR 64 1.076 -7.860 1.741 533 HG1 THR 64 HG1 THR 64 -0.097 -9.100 2.952 534 1HG2 THR 64 1HG2 THR 64 2.886 -6.515 2.728 535 2HG2 THR 64 2HG2 THR 64 2.917 -8.165 3.352 536 3HG2 THR 64 3HG2 THR 64 2.264 -6.860 4.342 537 H LEU 65 H LEU 65 0.088 -5.954 0.182 538 HA LEU 65 HA LEU 65 2.348 -4.157 -0.155 539 1HB LEU 65 2HB LEU 65 0.402 -5.657 -1.752 540 2HB LEU 65 1HB LEU 65 0.759 -4.083 -2.456 541 HG LEU 65 HG LEU 65 2.749 -6.251 -1.745 542 1HD1 LEU 65 1HD1 LEU 65 1.434 -5.296 -4.210 543 2HD1 LEU 65 2HD1 LEU 65 2.127 -6.877 -3.843 544 3HD1 LEU 65 3HD1 LEU 65 3.174 -5.548 -4.341 545 1HD2 LEU 65 1HD2 LEU 65 3.984 -4.342 -1.249 546 2HD2 LEU 65 2HD2 LEU 65 3.095 -3.347 -2.404 547 3HD2 LEU 65 3HD2 LEU 65 4.294 -4.506 -2.978 548 H SER 66 H SER 66 -1.198 -3.770 -0.582 549 HA SER 66 HA SER 66 -1.211 -0.975 -1.099 550 1HB SER 66 2HB SER 66 -3.044 -2.859 -1.138 551 2HB SER 66 1HB SER 66 -3.328 -2.366 0.529 552 HG SER 66 HG SER 66 -3.257 -0.583 -1.682 553 H GLU 67 H GLU 67 -1.463 -2.720 2.029 554 HA GLU 67 HA GLU 67 -1.694 -0.343 3.645 555 1HB GLU 67 2HB GLU 67 -0.825 -3.203 4.139 556 2HB GLU 67 1HB GLU 67 -0.995 -2.025 5.440 557 1HG GLU 67 2HG GLU 67 -3.233 -2.555 3.482 558 2HG GLU 67 1HG GLU 67 -3.038 -3.512 4.950 559 H ALA 68 H ALA 68 1.069 -2.144 2.372 560 HA ALA 68 HA ALA 68 2.991 -0.597 4.005 561 1HB ALA 68 1HB ALA 68 4.604 -2.072 2.737 562 2HB ALA 68 2HB ALA 68 3.217 -2.758 1.889 563 3HB ALA 68 3HB ALA 68 3.374 -2.962 3.634 564 H THR 69 H THR 69 1.380 -0.211 1.014 565 HA THR 69 HA THR 69 3.600 1.381 -0.172 566 HB THR 69 HB THR 69 1.959 1.355 -2.137 567 HG1 THR 69 HG1 THR 69 0.175 0.887 -0.621 568 1HG2 THR 69 1HG2 THR 69 3.365 -0.323 -2.661 569 2HG2 THR 69 2HG2 THR 69 2.179 -1.421 -1.953 570 3HG2 THR 69 3HG2 THR 69 3.513 -0.811 -0.973 571 H ARG 70 H ARG 70 1.123 1.977 1.973 572 HA ARG 70 HA ARG 70 -0.107 3.930 2.536 573 1HB ARG 70 2HB ARG 70 2.368 4.888 1.086 574 2HB ARG 70 1HB ARG 70 1.204 6.035 1.749 575 1HG ARG 70 2HG ARG 70 1.434 4.784 3.964 576 2HG ARG 70 1HG ARG 70 2.823 3.966 3.247 577 1HD ARG 70 2HD ARG 70 4.148 5.792 3.522 578 2HD ARG 70 1HD ARG 70 2.908 6.876 2.860 579 HE ARG 70 HE ARG 70 1.821 6.852 5.095 580 1HH1 ARG 70 1HH1 ARG 70 5.093 7.140 4.922 581 2HH1 ARG 70 2HH1 ARG 70 5.433 6.621 6.540 582 1HH2 ARG 70 1HH2 ARG 70 2.211 5.489 7.138 583 2HH2 ARG 70 2HH2 ARG 70 3.801 5.688 7.795 584 H SER 71 H SER 71 -0.697 2.482 0.041 585 HA SER 71 HA SER 71 -1.831 4.704 -1.626 586 1HB SER 71 2HB SER 71 0.111 3.305 -2.490 587 2HB SER 71 1HB SER 71 -0.976 1.921 -2.457 588 HG SER 71 HG SER 71 -0.703 3.654 -4.370 589 H GLU 72 H GLU 72 -3.680 3.532 -3.107 590 HA GLU 72 HA GLU 72 -5.319 1.791 -1.298 591 1HB GLU 72 2HB GLU 72 -5.804 4.482 -2.344 592 2HB GLU 72 1HB GLU 72 -7.112 3.371 -2.756 593 1HG GLU 72 2HG GLU 72 -5.990 3.461 0.041 594 2HG GLU 72 1HG GLU 72 -7.232 4.602 -0.474 595 H LEU 73 H LEU 73 -5.669 -0.138 -2.343 596 HA LEU 73 HA LEU 73 -5.157 -0.699 -5.056 597 1HB LEU 73 2HB LEU 73 -6.074 -1.951 -2.682 598 2HB LEU 73 1HB LEU 73 -7.268 -2.325 -3.915 599 HG LEU 73 HG LEU 73 -4.342 -2.960 -3.865 600 1HD1 LEU 73 1HD1 LEU 73 -5.367 -5.213 -4.547 601 2HD1 LEU 73 2HD1 LEU 73 -6.948 -4.470 -4.305 602 3HD1 LEU 73 3HD1 LEU 73 -5.840 -4.644 -2.945 603 1HD2 LEU 73 1HD2 LEU 73 -5.218 -3.965 -6.275 604 2HD2 LEU 73 2HD2 LEU 73 -4.303 -2.471 -6.114 605 3HD2 LEU 73 3HD2 LEU 73 -6.061 -2.419 -6.219 606 H VAL 74 H VAL 74 -6.306 0.519 -6.681 607 HA VAL 74 HA VAL 74 -9.180 0.990 -6.378 608 HB VAL 74 HB VAL 74 -9.017 1.886 -8.635 609 1HG1 VAL 74 1HG1 VAL 74 -6.301 2.649 -7.796 610 2HG1 VAL 74 2HG1 VAL 74 -7.535 2.831 -6.551 611 3HG1 VAL 74 3HG1 VAL 74 -7.716 3.656 -8.099 612 1HG2 VAL 74 1HG2 VAL 74 -7.777 0.153 -9.738 613 2HG2 VAL 74 2HG2 VAL 74 -6.366 0.449 -8.720 614 3HG2 VAL 74 3HG2 VAL 74 -6.870 1.656 -9.903 615 H GLN 75 H GLN 75 -7.008 -1.478 -7.646 616 HA GLN 75 HA GLN 75 -8.875 -3.563 -7.488 617 1HB GLN 75 2HB GLN 75 -9.346 -1.841 -9.697 618 2HB GLN 75 1HB GLN 75 -8.725 -3.359 -10.346 619 1HG GLN 75 2HG GLN 75 -10.426 -4.612 -9.090 620 2HG GLN 75 1HG GLN 75 -11.041 -3.106 -8.404 621 1HE2 GLN 75 1HE2 GLN 75 -11.546 -5.290 -10.918 622 2HE2 GLN 75 2HE2 GLN 75 -12.399 -4.274 -11.977 623 H VAL 76 H VAL 76 -8.367 -5.378 -9.109 624 HA VAL 76 HA VAL 76 -5.397 -5.677 -9.158 625 HB VAL 76 HB VAL 76 -7.616 -7.004 -7.788 626 1HG1 VAL 76 1HG1 VAL 76 -6.424 -9.313 -7.992 627 2HG1 VAL 76 2HG1 VAL 76 -5.732 -8.673 -9.483 628 3HG1 VAL 76 3HG1 VAL 76 -7.481 -8.825 -9.318 629 1HG2 VAL 76 1HG2 VAL 76 -5.432 -8.008 -6.640 630 2HG2 VAL 76 2HG2 VAL 76 -5.916 -6.331 -6.384 631 3HG2 VAL 76 3HG2 VAL 76 -4.648 -6.715 -7.547 632 H ILE 77 H ILE 77 -4.798 -5.870 -11.333 633 HA ILE 77 HA ILE 77 -6.771 -6.840 -13.301 634 HB ILE 77 HB ILE 77 -4.132 -5.409 -13.240 635 1HG1 ILE 77 2HG1 ILE 77 -6.763 -4.920 -14.671 636 2HG1 ILE 77 1HG1 ILE 77 -6.276 -4.178 -13.146 637 1HG2 ILE 77 1HG2 ILE 77 -4.252 -5.510 -15.818 638 2HG2 ILE 77 2HG2 ILE 77 -5.259 -6.938 -15.580 639 3HG2 ILE 77 3HG2 ILE 77 -3.602 -6.916 -14.976 640 1HD1 ILE 77 1HD1 ILE 77 -4.116 -3.571 -14.656 641 2HD1 ILE 77 2HD1 ILE 77 -5.525 -2.518 -14.526 642 3HD1 ILE 77 3HD1 ILE 77 -5.357 -3.600 -15.909 643 H GLY 78 H GLY 78 -6.878 -9.115 -13.043 644 1HA GLY 78 2HA GLY 78 -6.150 -11.355 -13.071 645 2HA GLY 78 1HA GLY 78 -5.079 -10.789 -14.349 646 H SER 79 H SER 79 -2.956 -11.110 -13.962 647 HA SER 79 HA SER 79 -2.022 -11.866 -11.275 648 1HB SER 79 2HB SER 79 -1.416 -12.747 -13.697 649 2HB SER 79 1HB SER 79 -0.263 -11.416 -13.657 650 HG SER 79 HG SER 79 -0.332 -13.781 -12.221 651 H MET 80 H MET 80 -2.740 -8.930 -12.390 652 HA MET 80 HA MET 80 -0.305 -7.701 -11.197 653 1HB MET 80 2HB MET 80 -2.123 -6.875 -13.465 654 2HB MET 80 1HB MET 80 -0.988 -5.749 -12.719 655 1HG MET 80 2HG MET 80 0.620 -6.568 -14.068 656 2HG MET 80 1HG MET 80 0.490 -8.098 -13.204 657 1HE MET 80 1HE MET 80 1.277 -8.768 -16.409 658 2HE MET 80 2HE MET 80 1.300 -7.070 -15.941 659 3HE MET 80 3HE MET 80 0.344 -7.581 -17.330 660 H ILE 81 H ILE 81 -0.681 -5.881 -9.785 661 HA ILE 81 HA ILE 81 -3.482 -5.738 -8.746 662 HB ILE 81 HB ILE 81 -0.778 -5.113 -7.511 663 1HG1 ILE 81 2HG1 ILE 81 -2.775 -7.315 -6.906 664 2HG1 ILE 81 1HG1 ILE 81 -1.343 -7.531 -7.912 665 1HG2 ILE 81 1HG2 ILE 81 -1.929 -4.635 -5.478 666 2HG2 ILE 81 2HG2 ILE 81 -3.456 -5.249 -6.112 667 3HG2 ILE 81 3HG2 ILE 81 -2.792 -3.733 -6.722 668 1HD1 ILE 81 1HD1 ILE 81 -1.261 -6.537 -5.051 669 2HD1 ILE 81 2HD1 ILE 81 0.116 -6.974 -6.063 670 3HD1 ILE 81 3HD1 ILE 81 -1.007 -8.219 -5.517 671 H VAL 82 H VAL 82 -4.517 -3.801 -8.841 672 HA VAL 82 HA VAL 82 -3.101 -1.493 -10.094 673 HB VAL 82 HB VAL 82 -6.086 -2.049 -9.653 674 1HG1 VAL 82 1HG1 VAL 82 -4.779 -0.415 -11.822 675 2HG1 VAL 82 2HG1 VAL 82 -5.110 0.301 -10.250 676 3HG1 VAL 82 3HG1 VAL 82 -6.426 -0.343 -11.226 677 1HG2 VAL 82 1HG2 VAL 82 -5.332 -2.432 -12.365 678 2HG2 VAL 82 2HG2 VAL 82 -5.844 -3.674 -11.222 679 3HG2 VAL 82 3HG2 VAL 82 -4.130 -3.307 -11.418 680 H ILE 83 H ILE 83 -2.266 -0.155 -8.466 681 HA ILE 83 HA ILE 83 -4.116 0.493 -6.186 682 HB ILE 83 HB ILE 83 -1.091 0.304 -6.276 683 1HG1 ILE 83 2HG1 ILE 83 -3.146 -1.492 -4.947 684 2HG1 ILE 83 1HG1 ILE 83 -2.345 -1.865 -6.473 685 1HG2 ILE 83 1HG2 ILE 83 -1.051 1.284 -4.263 686 2HG2 ILE 83 2HG2 ILE 83 -2.303 0.205 -3.650 687 3HG2 ILE 83 3HG2 ILE 83 -2.751 1.696 -4.481 688 1HD1 ILE 83 1HD1 ILE 83 -0.167 -1.385 -5.013 689 2HD1 ILE 83 2HD1 ILE 83 -0.935 -2.973 -5.027 690 3HD1 ILE 83 3HD1 ILE 83 -1.248 -1.854 -3.701 691 H TYR 84 H TYR 84 -4.242 2.646 -5.549 692 HA TYR 84 HA TYR 84 -2.892 4.630 -7.343 693 1HB TYR 84 2HB TYR 84 -5.224 4.753 -7.714 694 2HB TYR 84 1HB TYR 84 -5.600 4.440 -6.022 695 HD1 TYR 84 HD1 TYR 84 -3.148 6.876 -7.444 696 HD2 TYR 84 HD2 TYR 84 -6.870 6.326 -5.372 697 HE1 TYR 84 HE1 TYR 84 -3.265 9.314 -7.008 698 HE2 TYR 84 HE2 TYR 84 -6.989 8.764 -4.936 699 HH TYR 84 HH TYR 84 -5.955 10.730 -5.142 700 H ARG 85 H ARG 85 -1.192 5.482 -6.207 701 HA ARG 85 HA ARG 85 -1.125 5.572 -3.291 702 1HB ARG 85 2HB ARG 85 0.925 5.247 -4.479 703 2HB ARG 85 1HB ARG 85 0.607 6.614 -5.546 704 1HG ARG 85 2HG ARG 85 1.462 8.104 -4.067 705 2HG ARG 85 1HG ARG 85 0.629 7.355 -2.706 706 1HD ARG 85 2HD ARG 85 2.375 5.505 -2.789 707 2HD ARG 85 1HD ARG 85 3.270 6.522 -3.935 708 HE ARG 85 HE ARG 85 2.979 7.045 -1.084 709 1HH1 ARG 85 1HH1 ARG 85 5.230 7.789 -3.083 710 2HH1 ARG 85 2HH1 ARG 85 5.130 9.517 -3.026 711 1HH2 ARG 85 1HH2 ARG 85 2.024 9.556 -1.492 712 2HH2 ARG 85 2HH2 ARG 85 3.319 10.516 -2.123 713 H GLU 86 H GLU 86 -1.494 7.349 -1.975 714 HA GLU 86 HA GLU 86 -3.390 9.271 -2.432 715 1HB GLU 86 2HB GLU 86 -2.436 10.415 -0.529 716 2HB GLU 86 1HB GLU 86 -2.147 8.690 -0.312 717 1HG GLU 86 2HG GLU 86 0.102 9.310 -1.646 718 2HG GLU 86 1HG GLU 86 -0.210 10.880 -0.905 719 H SER 87 H SER 87 -2.987 11.765 -2.490 720 HA SER 87 HA SER 87 -1.378 12.332 -4.906 721 1HB SER 87 2HB SER 87 -3.579 13.717 -3.373 722 2HB SER 87 1HB SER 87 -2.681 14.547 -4.640 723 HG SER 87 HG SER 87 -4.486 12.422 -4.794 724 H LYS 88 H LYS 88 0.268 13.849 -4.891 725 HA LYS 88 HA LYS 88 0.865 15.278 -2.383 726 1HB LYS 88 2HB LYS 88 1.969 12.833 -2.775 727 2HB LYS 88 1HB LYS 88 3.132 13.811 -3.670 728 1HG LYS 88 2HG LYS 88 3.204 15.328 -1.596 729 2HG LYS 88 1HG LYS 88 2.379 14.016 -0.752 730 1HD LYS 88 2HD LYS 88 4.486 13.248 -0.360 731 2HD LYS 88 1HD LYS 88 4.386 12.653 -2.019 732 1HE LYS 88 2HE LYS 88 5.230 15.496 -1.643 733 2HE LYS 88 1HE LYS 88 6.406 14.226 -1.248 734 1HZ LYS 88 1HZ LYS 88 5.689 13.173 -3.424 735 2HZ LYS 88 2HZ LYS 88 6.653 14.568 -3.539 736 3HZ LYS 88 3HZ LYS 88 4.978 14.665 -3.804 737 H GLU 89 H GLU 89 1.939 14.400 -5.646 738 HA GLU 89 HA GLU 89 2.675 17.254 -6.169 739 1HB GLU 89 2HB GLU 89 3.842 14.649 -6.742 740 2HB GLU 89 1HB GLU 89 3.573 15.548 -8.235 741 1HG GLU 89 2HG GLU 89 4.785 16.992 -5.911 742 2HG GLU 89 1HG GLU 89 5.803 15.886 -6.834 743 H ASN 90 H ASN 90 1.173 18.285 -7.399 744 HA ASN 90 HA ASN 90 -1.225 17.219 -8.384 745 1HB ASN 90 2HB ASN 90 -1.343 19.347 -9.640 746 2HB ASN 90 1HB ASN 90 -0.721 19.605 -8.009 747 1HD2 ASN 90 1HD2 ASN 90 -0.192 20.691 -11.037 748 2HD2 ASN 90 2HD2 ASN 90 1.488 20.930 -10.996 749 H LYS 91 H LYS 91 -0.597 15.242 -9.448 750 HA LYS 91 HA LYS 91 0.633 15.512 -12.152 751 1HB LYS 91 2HB LYS 91 -0.089 13.145 -10.383 752 2HB LYS 91 1HB LYS 91 0.692 13.015 -11.959 753 1HG LYS 91 2HG LYS 91 1.935 14.838 -9.948 754 2HG LYS 91 1HG LYS 91 2.119 13.102 -9.701 755 1HD LYS 91 2HD LYS 91 2.794 13.064 -12.223 756 2HD LYS 91 1HD LYS 91 3.077 14.790 -11.999 757 1HE LYS 91 2HE LYS 91 4.576 14.251 -10.059 758 2HE LYS 91 1HE LYS 91 4.379 12.528 -10.442 759 1HZ LYS 91 1HZ LYS 91 4.997 13.209 -12.799 760 2HZ LYS 91 2HZ LYS 91 6.252 13.172 -11.656 761 3HZ LYS 91 3HZ LYS 91 5.566 14.656 -12.122 762 H GLU 92 H GLU 92 -0.629 14.472 -13.970 763 HA GLU 92 HA GLU 92 -3.400 15.230 -13.949 764 1HB GLU 92 2HB GLU 92 -1.843 14.976 -15.924 765 2HB GLU 92 1HB GLU 92 -1.975 13.227 -15.733 766 1HG GLU 92 2HG GLU 92 -4.587 14.527 -15.744 767 2HG GLU 92 1HG GLU 92 -3.685 14.836 -17.228 768 H ILE 93 H ILE 93 -3.856 14.069 -11.842 769 HA ILE 93 HA ILE 93 -4.442 11.158 -12.170 770 HB ILE 93 HB ILE 93 -3.763 13.058 -9.924 771 1HG1 ILE 93 2HG1 ILE 93 -2.031 11.716 -11.136 772 2HG1 ILE 93 1HG1 ILE 93 -2.105 11.362 -9.410 773 1HG2 ILE 93 1HG2 ILE 93 -5.365 12.094 -8.619 774 2HG2 ILE 93 2HG2 ILE 93 -4.266 10.716 -8.582 775 3HG2 ILE 93 3HG2 ILE 93 -5.602 10.747 -9.733 776 1HD1 ILE 93 1HD1 ILE 93 -2.427 9.187 -9.909 777 2HD1 ILE 93 2HD1 ILE 93 -2.491 9.559 -11.632 778 3HD1 ILE 93 3HD1 ILE 93 -3.962 9.619 -10.662 779 H GLU 94 H GLU 94 -6.594 10.475 -11.977 780 HA GLU 94 HA GLU 94 -8.669 12.616 -11.778 781 1HB GLU 94 2HB GLU 94 -8.363 10.600 -13.544 782 2HB GLU 94 1HB GLU 94 -9.337 9.776 -12.326 783 1HG GLU 94 2HG GLU 94 -11.180 10.831 -13.036 784 2HG GLU 94 1HG GLU 94 -10.421 12.396 -12.744 785 H LEU 95 H LEU 95 -10.195 12.567 -10.141 786 HA LEU 95 HA LEU 95 -10.745 10.250 -8.606 787 1HB LEU 95 2HB LEU 95 -8.303 11.210 -7.977 788 2HB LEU 95 1HB LEU 95 -9.274 12.192 -6.878 789 HG LEU 95 HG LEU 95 -10.422 9.803 -6.439 790 1HD1 LEU 95 1HD1 LEU 95 -8.500 8.141 -6.301 791 2HD1 LEU 95 2HD1 LEU 95 -7.582 9.253 -7.318 792 3HD1 LEU 95 3HD1 LEU 95 -9.063 8.515 -7.930 793 1HD2 LEU 95 1HD2 LEU 95 -7.911 10.962 -5.209 794 2HD2 LEU 95 2HD2 LEU 95 -8.748 9.571 -4.518 795 3HD2 LEU 95 3HD2 LEU 95 -9.572 11.126 -4.637 796 HA PRO 96 HA PRO 96 -13.537 13.977 -8.285 797 1HB PRO 96 2HB PRO 96 -15.774 12.733 -9.243 798 2HB PRO 96 1HB PRO 96 -14.593 13.548 -10.289 799 1HG PRO 96 2HG PRO 96 -14.903 10.650 -9.686 800 2HG PRO 96 1HG PRO 96 -14.530 11.450 -11.221 801 1HD PRO 96 2HD PRO 96 -12.640 10.242 -9.692 802 2HD PRO 96 1HD PRO 96 -12.293 11.642 -10.732 Start of MODEL 4 1 1H MET 1 1HT MET 1 -7.863 5.348 0.937 2 2H MET 1 2HT MET 1 -8.640 6.446 1.975 3 3H MET 1 3HT MET 1 -6.993 6.090 2.189 4 HA MET 1 HA MET 1 -7.441 8.287 1.091 5 1HB MET 1 2HB MET 1 -5.872 6.044 -0.211 6 2HB MET 1 1HB MET 1 -5.660 7.742 -0.638 7 1HG MET 1 2HG MET 1 -5.492 7.880 2.080 8 2HG MET 1 1HG MET 1 -4.797 6.285 1.789 9 1HE MET 1 1HE MET 1 -3.714 9.995 -0.535 10 2HE MET 1 2HE MET 1 -3.963 10.335 1.177 11 3HE MET 1 3HE MET 1 -5.236 9.546 0.248 12 H LEU 2 H LEU 2 -7.741 5.521 -1.168 13 HA LEU 2 HA LEU 2 -9.300 7.176 -3.058 14 1HB LEU 2 2HB LEU 2 -7.448 5.587 -3.675 15 2HB LEU 2 1HB LEU 2 -8.527 4.272 -3.195 16 HG LEU 2 HG LEU 2 -9.736 6.292 -4.982 17 1HD1 LEU 2 1HD1 LEU 2 -7.324 4.679 -5.729 18 2HD1 LEU 2 2HD1 LEU 2 -7.828 6.271 -6.299 19 3HD1 LEU 2 3HD1 LEU 2 -8.628 4.823 -6.906 20 1HD2 LEU 2 1HD2 LEU 2 -10.837 4.373 -5.811 21 2HD2 LEU 2 2HD2 LEU 2 -10.705 4.117 -4.078 22 3HD2 LEU 2 3HD2 LEU 2 -9.606 3.291 -5.179 23 H THR 3 H THR 3 -11.308 6.534 -3.870 24 HA THR 3 HA THR 3 -12.951 4.989 -1.919 25 HB THR 3 HB THR 3 -12.894 7.692 -2.699 26 HG1 THR 3 HG1 THR 3 -14.654 6.104 -1.166 27 1HG2 THR 3 1HG2 THR 3 -15.032 8.188 -3.626 28 2HG2 THR 3 2HG2 THR 3 -15.612 6.542 -3.373 29 3HG2 THR 3 3HG2 THR 3 -14.410 6.873 -4.618 30 H GLY 4 H GLY 4 -15.011 4.172 -2.956 31 1HA GLY 4 2HA GLY 4 -14.527 2.374 -5.034 32 2HA GLY 4 1HA GLY 4 -16.136 2.949 -4.613 33 H LYS 5 H LYS 5 -15.825 5.693 -5.350 34 HA LYS 5 HA LYS 5 -16.305 5.494 -8.192 35 1HB LYS 5 2HB LYS 5 -17.397 7.108 -6.730 36 2HB LYS 5 1HB LYS 5 -15.844 7.839 -6.333 37 1HG LYS 5 2HG LYS 5 -16.660 9.270 -7.999 38 2HG LYS 5 1HG LYS 5 -15.627 8.177 -8.919 39 1HD LYS 5 2HD LYS 5 -17.381 7.281 -10.040 40 2HD LYS 5 1HD LYS 5 -18.372 7.185 -8.583 41 1HE LYS 5 2HE LYS 5 -19.014 9.505 -8.768 42 2HE LYS 5 1HE LYS 5 -17.841 9.778 -10.072 43 1HZ LYS 5 1HZ LYS 5 -19.851 9.359 -11.173 44 2HZ LYS 5 2HZ LYS 5 -20.276 8.094 -10.120 45 3HZ LYS 5 3HZ LYS 5 -19.023 7.881 -11.247 46 H GLN 6 H GLN 6 -13.607 7.028 -6.351 47 HA GLN 6 HA GLN 6 -12.121 7.864 -8.630 48 1HB GLN 6 2HB GLN 6 -11.263 6.985 -5.856 49 2HB GLN 6 1HB GLN 6 -10.283 7.952 -6.958 50 1HG GLN 6 2HG GLN 6 -11.648 9.829 -6.737 51 2HG GLN 6 1HG GLN 6 -13.058 8.874 -6.279 52 1HE2 GLN 6 1HE2 GLN 6 -9.814 8.504 -4.843 53 2HE2 GLN 6 2HE2 GLN 6 -10.263 9.019 -3.290 54 H LYS 7 H LYS 7 -12.488 4.776 -7.045 55 HA LYS 7 HA LYS 7 -10.199 3.398 -8.136 56 1HB LYS 7 2HB LYS 7 -11.508 2.598 -6.233 57 2HB LYS 7 1HB LYS 7 -12.970 2.536 -7.217 58 1HG LYS 7 2HG LYS 7 -12.018 0.787 -8.609 59 2HG LYS 7 1HG LYS 7 -10.477 0.914 -7.764 60 1HD LYS 7 2HD LYS 7 -13.116 0.041 -6.548 61 2HD LYS 7 1HD LYS 7 -11.736 -1.000 -6.894 62 1HE LYS 7 2HE LYS 7 -10.362 0.416 -5.316 63 2HE LYS 7 1HE LYS 7 -11.855 1.259 -4.867 64 1HZ LYS 7 1HZ LYS 7 -11.198 -1.606 -4.542 65 2HZ LYS 7 2HZ LYS 7 -12.807 -1.062 -4.542 66 3HZ LYS 7 3HZ LYS 7 -11.718 -0.506 -3.361 67 H ARG 8 H ARG 8 -13.605 3.697 -9.211 68 HA ARG 8 HA ARG 8 -13.542 2.056 -11.485 69 1HB ARG 8 2HB ARG 8 -15.463 3.327 -10.420 70 2HB ARG 8 1HB ARG 8 -14.867 4.776 -11.230 71 1HG ARG 8 2HG ARG 8 -16.533 3.886 -12.685 72 2HG ARG 8 1HG ARG 8 -14.991 3.427 -13.408 73 1HD ARG 8 2HD ARG 8 -15.683 1.269 -13.341 74 2HD ARG 8 1HD ARG 8 -15.645 1.365 -11.569 75 HE ARG 8 HE ARG 8 -18.000 2.320 -11.746 76 1HH1 ARG 8 1HH1 ARG 8 -17.180 1.815 -14.879 77 2HH1 ARG 8 2HH1 ARG 8 -18.436 0.682 -15.250 78 1HH2 ARG 8 1HH2 ARG 8 -19.388 0.249 -11.945 79 2HH2 ARG 8 2HH2 ARG 8 -19.687 -0.201 -13.590 80 H TYR 9 H TYR 9 -12.879 5.583 -11.410 81 HA TYR 9 HA TYR 9 -12.035 5.829 -14.129 82 1HB TYR 9 2HB TYR 9 -11.490 7.350 -11.572 83 2HB TYR 9 1HB TYR 9 -10.888 7.905 -13.134 84 HD1 TYR 9 HD1 TYR 9 -12.936 7.436 -15.043 85 HD2 TYR 9 HD2 TYR 9 -13.377 8.566 -10.922 86 HE1 TYR 9 HE1 TYR 9 -15.153 8.427 -15.551 87 HE2 TYR 9 HE2 TYR 9 -15.593 9.556 -11.431 88 HH TYR 9 HH TYR 9 -17.326 9.441 -13.057 89 H LEU 10 H LEU 10 -10.053 5.706 -11.173 90 HA LEU 10 HA LEU 10 -7.558 5.602 -12.565 91 1HB LEU 10 2HB LEU 10 -8.565 5.830 -9.943 92 2HB LEU 10 1HB LEU 10 -7.483 4.436 -9.932 93 HG LEU 10 HG LEU 10 -6.749 7.077 -11.189 94 1HD1 LEU 10 1HD1 LEU 10 -6.056 6.020 -8.427 95 2HD1 LEU 10 2HD1 LEU 10 -7.132 7.372 -8.763 96 3HD1 LEU 10 3HD1 LEU 10 -5.417 7.497 -9.149 97 1HD2 LEU 10 1HD2 LEU 10 -5.458 4.432 -10.669 98 2HD2 LEU 10 2HD2 LEU 10 -4.439 5.865 -10.525 99 3HD2 LEU 10 3HD2 LEU 10 -5.266 5.518 -12.044 100 H ARG 11 H ARG 11 -9.607 3.011 -11.205 101 HA ARG 11 HA ARG 11 -7.836 0.854 -11.388 102 1HB ARG 11 2HB ARG 11 -10.067 0.649 -10.467 103 2HB ARG 11 1HB ARG 11 -10.800 1.084 -12.010 104 1HG ARG 11 2HG ARG 11 -8.966 -1.272 -11.981 105 2HG ARG 11 1HG ARG 11 -10.555 -1.469 -11.240 106 1HD ARG 11 2HD ARG 11 -11.106 -0.118 -13.624 107 2HD ARG 11 1HD ARG 11 -9.867 -1.308 -14.071 108 HE ARG 11 HE ARG 11 -11.515 -2.796 -12.480 109 1HH1 ARG 11 1HH1 ARG 11 -13.661 -0.761 -13.179 110 2HH1 ARG 11 2HH1 ARG 11 -14.402 -1.507 -14.555 111 1HH2 ARG 11 1HH2 ARG 11 -11.785 -3.716 -15.099 112 2HH2 ARG 11 2HH2 ARG 11 -13.340 -3.182 -15.642 113 H SER 12 H SER 12 -9.743 2.418 -13.962 114 HA SER 12 HA SER 12 -8.958 0.553 -16.059 115 1HB SER 12 2HB SER 12 -10.930 2.356 -15.711 116 2HB SER 12 1HB SER 12 -9.813 3.348 -16.646 117 HG SER 12 HG SER 12 -10.538 0.716 -17.399 118 H LEU 13 H LEU 13 -7.683 3.636 -14.842 119 HA LEU 13 HA LEU 13 -5.984 4.376 -16.981 120 1HB LEU 13 2HB LEU 13 -5.874 4.615 -13.974 121 2HB LEU 13 1HB LEU 13 -4.601 5.295 -14.972 122 HG LEU 13 HG LEU 13 -6.999 6.539 -14.246 123 1HD1 LEU 13 1HD1 LEU 13 -6.110 8.383 -15.427 124 2HD1 LEU 13 2HD1 LEU 13 -5.312 7.347 -16.613 125 3HD1 LEU 13 3HD1 LEU 13 -4.701 7.430 -14.960 126 1HD2 LEU 13 1HD2 LEU 13 -7.077 5.931 -17.223 127 2HD2 LEU 13 2HD2 LEU 13 -8.177 6.986 -16.339 128 3HD2 LEU 13 3HD2 LEU 13 -8.188 5.251 -16.033 129 H ALA 14 H ALA 14 -5.275 2.245 -14.207 130 HA ALA 14 HA ALA 14 -2.620 1.591 -14.490 131 1HB ALA 14 1HB ALA 14 -4.517 -0.695 -14.291 132 2HB ALA 14 2HB ALA 14 -4.753 0.627 -13.150 133 3HB ALA 14 3HB ALA 14 -3.207 -0.220 -13.211 134 H HIS 15 H HIS 15 -5.282 0.264 -16.499 135 HA HIS 15 HA HIS 15 -3.893 -1.692 -17.958 136 1HB HIS 15 2HB HIS 15 -6.383 -0.593 -17.946 137 2HB HIS 15 1HB HIS 15 -5.759 0.066 -19.459 138 HD1 HIS 15 HD1 HIS 15 -7.960 -2.285 -19.109 139 HD2 HIS 15 HD2 HIS 15 -3.954 -2.755 -20.164 140 HE1 HIS 15 HE1 HIS 15 -7.796 -4.497 -20.332 141 H ASN 16 H ASN 16 -4.157 1.802 -18.671 142 HA ASN 16 HA ASN 16 -2.491 1.687 -21.034 143 1HB ASN 16 2HB ASN 16 -4.201 3.443 -20.331 144 2HB ASN 16 1HB ASN 16 -3.008 4.021 -19.169 145 1HD2 ASN 16 1HD2 ASN 16 -1.285 5.321 -19.962 146 2HD2 ASN 16 2HD2 ASN 16 -1.082 5.707 -21.602 147 H ILE 17 H ILE 17 -1.862 1.790 -17.601 148 HA ILE 17 HA ILE 17 0.899 2.725 -17.916 149 HB ILE 17 HB ILE 17 -0.249 1.561 -15.417 150 1HG1 ILE 17 2HG1 ILE 17 -1.265 3.981 -16.878 151 2HG1 ILE 17 1HG1 ILE 17 -2.141 2.863 -15.846 152 1HG2 ILE 17 1HG2 ILE 17 2.031 2.379 -15.475 153 2HG2 ILE 17 2HG2 ILE 17 1.041 3.386 -14.424 154 3HG2 ILE 17 3HG2 ILE 17 1.467 3.949 -16.040 155 1HD1 ILE 17 1HD1 ILE 17 -1.082 3.865 -13.853 156 2HD1 ILE 17 2HD1 ILE 17 -1.965 5.077 -14.781 157 3HD1 ILE 17 3HD1 ILE 17 -0.206 4.992 -14.886 158 H ASP 18 H ASP 18 2.638 1.414 -16.993 159 HA ASP 18 HA ASP 18 2.307 -1.493 -17.597 160 1HB ASP 18 2HB ASP 18 4.411 0.570 -18.029 161 2HB ASP 18 1HB ASP 18 4.965 -1.073 -17.704 162 HA PRO 19 HA PRO 19 3.242 -2.480 -13.375 163 1HB PRO 19 2HB PRO 19 4.555 -4.865 -13.737 164 2HB PRO 19 1HB PRO 19 2.791 -4.700 -13.865 165 1HG PRO 19 2HG PRO 19 4.847 -4.747 -16.035 166 2HG PRO 19 1HG PRO 19 3.277 -5.568 -15.954 167 1HD PRO 19 2HD PRO 19 3.601 -3.318 -17.376 168 2HD PRO 19 1HD PRO 19 2.092 -3.646 -16.491 169 H ILE 20 H ILE 20 4.820 -1.025 -12.632 170 HA ILE 20 HA ILE 20 7.425 -0.888 -13.873 171 HB ILE 20 HB ILE 20 7.768 0.997 -12.628 172 1HG1 ILE 20 2HG1 ILE 20 7.993 0.304 -10.406 173 2HG1 ILE 20 1HG1 ILE 20 6.636 1.418 -10.375 174 1HG2 ILE 20 1HG2 ILE 20 4.885 1.081 -11.953 175 2HG2 ILE 20 2HG2 ILE 20 5.305 0.790 -13.641 176 3HG2 ILE 20 3HG2 ILE 20 5.882 2.244 -12.829 177 1HD1 ILE 20 1HD1 ILE 20 5.433 -0.170 -9.393 178 2HD1 ILE 20 2HD1 ILE 20 6.705 -1.358 -9.641 179 3HD1 ILE 20 3HD1 ILE 20 5.505 -1.083 -10.891 180 H PHE 21 H PHE 21 6.252 -2.810 -11.167 181 HA PHE 21 HA PHE 21 8.923 -4.100 -11.122 182 1HB PHE 21 2HB PHE 21 7.571 -2.776 -8.767 183 2HB PHE 21 1HB PHE 21 8.797 -4.022 -8.555 184 HD1 PHE 21 HD1 PHE 21 8.538 -0.682 -8.333 185 HD2 PHE 21 HD2 PHE 21 10.724 -3.571 -10.635 186 HE1 PHE 21 HE1 PHE 21 10.310 0.995 -8.766 187 HE2 PHE 21 HE2 PHE 21 12.493 -1.888 -11.065 188 HZ PHE 21 HZ PHE 21 12.269 0.397 -10.131 189 H GLN 22 H GLN 22 8.811 -6.306 -10.511 190 HA GLN 22 HA GLN 22 6.030 -7.370 -10.117 191 1HB GLN 22 2HB GLN 22 6.873 -7.773 -12.353 192 2HB GLN 22 1HB GLN 22 8.400 -8.382 -11.714 193 1HG GLN 22 2HG GLN 22 6.307 -9.883 -10.494 194 2HG GLN 22 1HG GLN 22 5.984 -9.836 -12.226 195 1HE2 GLN 22 1HE2 GLN 22 7.200 -11.248 -13.514 196 2HE2 GLN 22 2HE2 GLN 22 8.587 -12.076 -12.990 197 H ILE 23 H ILE 23 5.783 -9.102 -8.687 198 HA ILE 23 HA ILE 23 7.985 -9.536 -6.746 199 HB ILE 23 HB ILE 23 5.071 -9.416 -6.797 200 1HG1 ILE 23 2HG1 ILE 23 7.022 -9.506 -4.485 201 2HG1 ILE 23 1HG1 ILE 23 6.642 -8.058 -5.417 202 1HG2 ILE 23 1HG2 ILE 23 4.427 -11.197 -5.387 203 2HG2 ILE 23 2HG2 ILE 23 6.091 -11.593 -4.970 204 3HG2 ILE 23 3HG2 ILE 23 5.467 -11.986 -6.565 205 1HD1 ILE 23 1HD1 ILE 23 4.531 -9.716 -4.019 206 2HD1 ILE 23 2HD1 ILE 23 4.344 -8.110 -4.723 207 3HD1 ILE 23 3HD1 ILE 23 5.316 -8.327 -3.269 208 H GLY 24 H GLY 24 8.864 -11.635 -6.383 209 1HA GLY 24 2HA GLY 24 8.732 -13.482 -8.628 210 2HA GLY 24 1HA GLY 24 9.602 -13.758 -7.115 211 H LYS 25 H LYS 25 8.226 -15.931 -8.040 212 HA LYS 25 HA LYS 25 5.531 -15.894 -6.824 213 1HB LYS 25 2HB LYS 25 6.733 -18.437 -7.813 214 2HB LYS 25 1HB LYS 25 5.120 -17.789 -8.070 215 1HG LYS 25 2HG LYS 25 5.847 -17.374 -10.179 216 2HG LYS 25 1HG LYS 25 6.669 -15.992 -9.464 217 1HD LYS 25 2HD LYS 25 8.629 -16.885 -10.106 218 2HD LYS 25 1HD LYS 25 8.341 -18.216 -8.985 219 1HE LYS 25 2HE LYS 25 6.737 -18.659 -11.327 220 2HE LYS 25 1HE LYS 25 8.410 -18.344 -11.829 221 1HZ LYS 25 1HZ LYS 25 8.047 -20.687 -11.222 222 2HZ LYS 25 2HZ LYS 25 7.616 -20.203 -9.651 223 3HZ LYS 25 3HZ LYS 25 9.193 -19.935 -10.223 224 H GLY 26 H GLY 26 5.945 -15.696 -4.615 225 1HA GLY 26 2HA GLY 26 6.482 -18.125 -3.182 226 2HA GLY 26 1HA GLY 26 7.879 -17.048 -3.089 227 H GLY 27 H GLY 27 6.387 -14.563 -3.113 228 1HA GLY 27 2HA GLY 27 4.286 -14.225 -1.374 229 2HA GLY 27 1HA GLY 27 5.653 -14.491 -0.286 230 H ILE 28 H ILE 28 4.196 -11.989 -0.532 231 HA ILE 28 HA ILE 28 5.545 -10.116 -2.223 232 HB ILE 28 HB ILE 28 4.135 -9.837 0.451 233 1HG1 ILE 28 2HG1 ILE 28 3.197 -9.510 -2.416 234 2HG1 ILE 28 1HG1 ILE 28 2.762 -10.826 -1.324 235 1HG2 ILE 28 1HG2 ILE 28 4.534 -7.674 -1.621 236 2HG2 ILE 28 2HG2 ILE 28 5.667 -7.904 -0.290 237 3HG2 ILE 28 3HG2 ILE 28 3.983 -7.499 0.045 238 1HD1 ILE 28 1HD1 ILE 28 1.386 -8.425 -1.627 239 2HD1 ILE 28 2HD1 ILE 28 2.281 -8.218 -0.122 240 3HD1 ILE 28 3HD1 ILE 28 1.182 -9.583 -0.314 241 H ASN 29 H ASN 29 7.714 -9.703 -2.092 242 HA ASN 29 HA ASN 29 9.073 -9.876 0.566 243 1HB ASN 29 2HB ASN 29 9.697 -10.472 -2.227 244 2HB ASN 29 1HB ASN 29 10.957 -9.501 -1.463 245 1HD2 ASN 29 1HD2 ASN 29 12.551 -10.888 -0.689 246 2HD2 ASN 29 2HD2 ASN 29 12.262 -12.354 0.117 247 H GLU 30 H GLU 30 9.807 -7.984 1.532 248 HA GLU 30 HA GLU 30 9.027 -5.402 0.726 249 1HB GLU 30 2HB GLU 30 9.987 -6.191 2.941 250 2HB GLU 30 1HB GLU 30 11.584 -6.114 2.196 251 1HG GLU 30 2HG GLU 30 11.659 -3.912 2.669 252 2HG GLU 30 1HG GLU 30 10.298 -3.666 1.573 253 H ASN 31 H ASN 31 11.684 -7.364 -0.461 254 HA ASN 31 HA ASN 31 13.396 -5.381 -1.547 255 1HB ASN 31 2HB ASN 31 12.761 -8.223 -1.905 256 2HB ASN 31 1HB ASN 31 13.302 -7.463 -3.403 257 1HD2 ASN 31 1HD2 ASN 31 14.237 -7.515 0.088 258 2HD2 ASN 31 2HD2 ASN 31 15.907 -7.508 -0.213 259 H MET 32 H MET 32 10.449 -6.875 -2.871 260 HA MET 32 HA MET 32 10.472 -5.342 -5.334 261 1HB MET 32 2HB MET 32 8.765 -7.272 -3.875 262 2HB MET 32 1HB MET 32 7.900 -6.180 -4.959 263 1HG MET 32 2HG MET 32 8.473 -7.695 -6.559 264 2HG MET 32 1HG MET 32 10.031 -6.872 -6.515 265 1HE MET 32 1HE MET 32 10.420 -10.139 -7.429 266 2HE MET 32 2HE MET 32 11.963 -9.748 -6.671 267 3HE MET 32 3HE MET 32 11.056 -8.490 -7.510 268 H ILE 33 H ILE 33 8.721 -5.055 -2.208 269 HA ILE 33 HA ILE 33 7.226 -2.723 -2.943 270 HB ILE 33 HB ILE 33 8.213 -3.689 -0.249 271 1HG1 ILE 33 2HG1 ILE 33 5.612 -4.087 -1.771 272 2HG1 ILE 33 1HG1 ILE 33 6.804 -5.333 -1.398 273 1HG2 ILE 33 1HG2 ILE 33 6.990 -1.229 -1.011 274 2HG2 ILE 33 2HG2 ILE 33 7.256 -1.832 0.625 275 3HG2 ILE 33 3HG2 ILE 33 5.744 -2.189 -0.211 276 1HD1 ILE 33 1HD1 ILE 33 5.656 -5.716 0.503 277 2HD1 ILE 33 2HD1 ILE 33 4.671 -4.271 0.271 278 3HD1 ILE 33 3HD1 ILE 33 6.238 -4.151 1.071 279 H LYS 34 H LYS 34 10.500 -3.185 -1.664 280 HA LYS 34 HA LYS 34 11.094 -0.518 -0.911 281 1HB LYS 34 2HB LYS 34 12.702 -2.781 -2.123 282 2HB LYS 34 1HB LYS 34 13.460 -1.268 -1.622 283 1HG LYS 34 2HG LYS 34 11.696 -2.206 0.461 284 2HG LYS 34 1HG LYS 34 12.827 -3.484 0.018 285 1HD LYS 34 2HD LYS 34 14.674 -2.278 0.692 286 2HD LYS 34 1HD LYS 34 13.920 -0.724 0.333 287 1HE LYS 34 2HE LYS 34 12.311 -1.776 2.358 288 2HE LYS 34 1HE LYS 34 13.962 -2.200 2.853 289 1HZ LYS 34 1HZ LYS 34 13.238 0.096 3.495 290 2HZ LYS 34 2HZ LYS 34 13.204 0.484 1.841 291 3HZ LYS 34 3HZ LYS 34 14.665 0.032 2.581 292 H GLN 35 H GLN 35 11.293 -2.140 -4.072 293 HA GLN 35 HA GLN 35 12.102 0.274 -5.503 294 1HB GLN 35 2HB GLN 35 11.719 -2.569 -5.945 295 2HB GLN 35 1HB GLN 35 11.001 -1.639 -7.258 296 1HG GLN 35 2HG GLN 35 13.025 -1.073 -8.074 297 2HG GLN 35 1HG GLN 35 13.583 -0.550 -6.485 298 1HE2 GLN 35 1HE2 GLN 35 12.652 -3.754 -7.878 299 2HE2 GLN 35 2HE2 GLN 35 14.056 -4.550 -7.354 300 H ILE 36 H ILE 36 9.081 -1.685 -5.371 301 HA ILE 36 HA ILE 36 7.387 -0.055 -6.944 302 HB ILE 36 HB ILE 36 6.873 -1.622 -4.404 303 1HG1 ILE 36 2HG1 ILE 36 6.419 -2.334 -7.308 304 2HG1 ILE 36 1HG1 ILE 36 7.818 -2.860 -6.367 305 1HG2 ILE 36 1HG2 ILE 36 4.973 -0.232 -4.626 306 2HG2 ILE 36 2HG2 ILE 36 4.506 -1.729 -5.436 307 3HG2 ILE 36 3HG2 ILE 36 5.006 -0.329 -6.386 308 1HD1 ILE 36 1HD1 ILE 36 5.068 -3.861 -6.335 309 2HD1 ILE 36 2HD1 ILE 36 5.684 -3.494 -4.724 310 3HD1 ILE 36 3HD1 ILE 36 6.548 -4.629 -5.761 311 H ASP 37 H ASP 37 8.283 0.176 -3.520 312 HA ASP 37 HA ASP 37 6.611 2.204 -2.589 313 1HB ASP 37 2HB ASP 37 8.141 0.947 -1.189 314 2HB ASP 37 1HB ASP 37 9.534 1.608 -2.045 315 H ASP 38 H ASP 38 9.890 2.618 -3.989 316 HA ASP 38 HA ASP 38 9.839 5.484 -4.095 317 1HB ASP 38 2HB ASP 38 11.730 3.667 -4.289 318 2HB ASP 38 1HB ASP 38 11.362 3.737 -6.012 319 H THR 39 H THR 39 8.581 3.020 -6.250 320 HA THR 39 HA THR 39 8.215 4.860 -8.521 321 HB THR 39 HB THR 39 6.632 2.556 -8.832 322 HG1 THR 39 HG1 THR 39 9.133 1.930 -7.673 323 1HG2 THR 39 1HG2 THR 39 9.147 3.690 -9.851 324 2HG2 THR 39 2HG2 THR 39 7.779 3.009 -10.730 325 3HG2 THR 39 3HG2 THR 39 9.005 1.943 -10.044 326 H LEU 40 H LEU 40 6.343 3.481 -5.892 327 HA LEU 40 HA LEU 40 3.810 4.634 -6.825 328 1HB LEU 40 2HB LEU 40 3.906 2.459 -5.711 329 2HB LEU 40 1HB LEU 40 4.734 3.166 -4.333 330 HG LEU 40 HG LEU 40 2.192 2.707 -4.130 331 1HD1 LEU 40 1HD1 LEU 40 2.784 5.554 -3.475 332 2HD1 LEU 40 2HD1 LEU 40 3.847 4.320 -2.798 333 3HD1 LEU 40 3HD1 LEU 40 2.118 4.277 -2.457 334 1HD2 LEU 40 1HD2 LEU 40 1.715 5.423 -5.217 335 2HD2 LEU 40 2HD2 LEU 40 0.690 3.990 -5.278 336 3HD2 LEU 40 3HD2 LEU 40 2.011 4.179 -6.426 337 H GLU 41 H GLU 41 6.369 5.362 -4.516 338 HA GLU 41 HA GLU 41 4.891 7.507 -3.178 339 1HB GLU 41 2HB GLU 41 6.592 6.180 -2.032 340 2HB GLU 41 1HB GLU 41 7.802 6.645 -3.229 341 1HG GLU 41 2HG GLU 41 6.348 8.820 -1.780 342 2HG GLU 41 1HG GLU 41 7.602 7.937 -0.910 343 H ASN 42 H ASN 42 6.842 7.200 -6.039 344 HA ASN 42 HA ASN 42 7.329 10.136 -6.170 345 1HB ASN 42 2HB ASN 42 9.078 8.309 -6.597 346 2HB ASN 42 1HB ASN 42 8.198 7.961 -8.087 347 1HD2 ASN 42 1HD2 ASN 42 8.957 9.104 -9.866 348 2HD2 ASN 42 2HD2 ASN 42 9.745 10.604 -9.802 349 H ARG 43 H ARG 43 5.482 7.552 -7.705 350 HA ARG 43 HA ARG 43 4.410 9.497 -9.709 351 1HB ARG 43 2HB ARG 43 5.407 6.938 -9.931 352 2HB ARG 43 1HB ARG 43 3.668 6.649 -9.867 353 1HG ARG 43 2HG ARG 43 3.270 7.741 -11.853 354 2HG ARG 43 1HG ARG 43 4.609 8.866 -11.622 355 1HD ARG 43 2HD ARG 43 5.463 6.056 -11.912 356 2HD ARG 43 1HD ARG 43 4.684 6.735 -13.356 357 HE ARG 43 HE ARG 43 6.465 8.694 -12.310 358 1HH1 ARG 43 1HH2 ARG 43 6.197 7.156 -15.078 359 2HH1 ARG 43 2HH2 ARG 43 7.849 6.675 -15.277 360 1HH2 ARG 43 1HH1 ARG 43 8.730 7.399 -12.002 361 2HH2 ARG 43 2HH1 ARG 43 9.283 6.817 -13.536 362 H GLU 44 H GLU 44 2.005 8.067 -10.212 363 HA GLU 44 HA GLU 44 0.511 8.470 -7.640 364 1HB GLU 44 2HB GLU 44 0.249 9.554 -10.356 365 2HB GLU 44 1HB GLU 44 -1.263 8.898 -9.728 366 1HG GLU 44 2HG GLU 44 -1.350 11.067 -8.893 367 2HG GLU 44 1HG GLU 44 -0.578 10.223 -7.550 368 H LEU 45 H LEU 45 0.122 6.950 -10.870 369 HA LEU 45 HA LEU 45 -1.306 4.672 -9.544 370 1HB LEU 45 2HB LEU 45 -2.490 5.996 -11.283 371 2HB LEU 45 1HB LEU 45 -1.215 5.590 -12.433 372 HG LEU 45 HG LEU 45 -1.720 3.181 -12.145 373 1HD1 LEU 45 1HD1 LEU 45 -3.434 4.294 -10.005 374 2HD1 LEU 45 2HD1 LEU 45 -2.659 2.715 -10.124 375 3HD1 LEU 45 3HD1 LEU 45 -4.172 3.020 -10.975 376 1HD2 LEU 45 1HD2 LEU 45 -3.381 5.167 -13.363 377 2HD2 LEU 45 2HD2 LEU 45 -4.429 3.905 -12.715 378 3HD2 LEU 45 3HD2 LEU 45 -3.150 3.490 -13.853 379 H ILE 46 H ILE 46 -0.063 2.850 -9.322 380 HA ILE 46 HA ILE 46 2.073 2.372 -11.368 381 HB ILE 46 HB ILE 46 3.141 1.119 -9.289 382 1HG1 ILE 46 2HG1 ILE 46 2.740 2.567 -7.214 383 2HG1 ILE 46 1HG1 ILE 46 1.271 3.125 -7.997 384 1HG2 ILE 46 1HG2 ILE 46 4.010 3.579 -8.619 385 2HG2 ILE 46 2HG2 ILE 46 3.251 3.945 -10.169 386 3HG2 ILE 46 3HG2 ILE 46 4.531 2.734 -10.076 387 1HD1 ILE 46 1HD1 ILE 46 0.212 1.110 -7.737 388 2HD1 ILE 46 2HD1 ILE 46 1.358 0.942 -6.406 389 3HD1 ILE 46 3HD1 ILE 46 1.699 0.188 -7.963 390 H LYS 47 H LYS 47 2.023 0.406 -12.308 391 HA LYS 47 HA LYS 47 -0.024 -1.561 -11.430 392 1HB LYS 47 2HB LYS 47 1.717 -1.033 -13.839 393 2HB LYS 47 1HB LYS 47 1.033 -2.643 -13.617 394 1HG LYS 47 2HG LYS 47 -1.115 -0.945 -13.115 395 2HG LYS 47 1HG LYS 47 -0.282 -0.181 -14.471 396 1HD LYS 47 2HD LYS 47 -1.286 -1.692 -15.814 397 2HD LYS 47 1HD LYS 47 -0.248 -2.912 -15.079 398 1HE LYS 47 2HE LYS 47 -3.014 -2.097 -14.112 399 2HE LYS 47 1HE LYS 47 -2.563 -3.648 -14.849 400 1HZ LYS 47 1HZ LYS 47 -2.354 -4.106 -12.608 401 2HZ LYS 47 2HZ LYS 47 -1.790 -2.550 -12.224 402 3HZ LYS 47 3HZ LYS 47 -0.767 -3.658 -13.005 403 H VAL 48 H VAL 48 0.660 -3.527 -10.407 404 HA VAL 48 HA VAL 48 3.603 -3.945 -10.225 405 HB VAL 48 HB VAL 48 1.375 -4.109 -8.169 406 1HG1 VAL 48 1HG1 VAL 48 2.860 -5.931 -7.751 407 2HG1 VAL 48 2HG1 VAL 48 3.240 -4.658 -6.590 408 3HG1 VAL 48 3HG1 VAL 48 4.273 -4.906 -7.999 409 1HG2 VAL 48 1HG2 VAL 48 3.142 -2.477 -7.055 410 2HG2 VAL 48 2HG2 VAL 48 1.979 -1.870 -8.234 411 3HG2 VAL 48 3HG2 VAL 48 3.635 -2.223 -8.729 412 H HIS 49 H HIS 49 4.093 -5.961 -11.089 413 HA HIS 49 HA HIS 49 1.949 -7.957 -11.506 414 1HB HIS 49 2HB HIS 49 3.727 -7.308 -13.179 415 2HB HIS 49 1HB HIS 49 4.920 -8.056 -12.118 416 HD1 HIS 49 HD1 HIS 49 4.198 -9.120 -15.023 417 HD2 HIS 49 HD2 HIS 49 2.712 -10.662 -11.446 418 HE1 HIS 49 HE1 HIS 49 3.497 -11.507 -15.507 419 H VAL 50 H VAL 50 1.451 -9.153 -9.725 420 HA VAL 50 HA VAL 50 3.602 -10.055 -7.885 421 HB VAL 50 HB VAL 50 1.733 -8.863 -6.896 422 1HG1 VAL 50 1HG1 VAL 50 -0.601 -9.970 -7.134 423 2HG1 VAL 50 2HG1 VAL 50 0.068 -10.748 -8.566 424 3HG1 VAL 50 3HG1 VAL 50 -0.019 -8.990 -8.478 425 1HG2 VAL 50 1HG2 VAL 50 0.825 -10.575 -5.411 426 2HG2 VAL 50 2HG2 VAL 50 2.551 -10.823 -5.679 427 3HG2 VAL 50 3HG2 VAL 50 1.373 -11.832 -6.518 428 H LEU 51 H LEU 51 4.275 -12.077 -7.955 429 HA LEU 51 HA LEU 51 3.060 -13.979 -9.796 430 1HB LEU 51 2HB LEU 51 5.548 -13.513 -8.336 431 2HB LEU 51 1HB LEU 51 5.144 -15.203 -8.569 432 HG LEU 51 HG LEU 51 6.512 -14.333 -10.448 433 1HD1 LEU 51 1HD1 LEU 51 4.365 -15.969 -10.593 434 2HD1 LEU 51 2HD1 LEU 51 5.349 -15.554 -11.997 435 3HD1 LEU 51 3HD1 LEU 51 3.839 -14.694 -11.694 436 1HD2 LEU 51 1HD2 LEU 51 5.923 -12.478 -11.685 437 2HD2 LEU 51 2HD2 LEU 51 5.213 -12.010 -10.140 438 3HD2 LEU 51 3HD2 LEU 51 4.198 -12.706 -11.403 439 H GLN 52 H GLN 52 1.084 -13.890 -8.083 440 HA GLN 52 HA GLN 52 1.539 -15.847 -5.889 441 1HB GLN 52 2HB GLN 52 0.387 -13.697 -5.441 442 2HB GLN 52 1HB GLN 52 -0.848 -14.121 -6.627 443 1HG GLN 52 2HG GLN 52 -1.567 -14.632 -4.297 444 2HG GLN 52 1HG GLN 52 -1.495 -16.074 -5.306 445 1HE2 GLN 52 1HE2 GLN 52 1.245 -14.335 -3.758 446 2HE2 GLN 52 2HE2 GLN 52 1.744 -15.653 -2.812 447 H ASN 53 H ASN 53 -0.088 -15.450 -8.974 448 HA ASN 53 HA ASN 53 -1.184 -17.010 -10.362 449 1HB ASN 53 2HB ASN 53 1.001 -18.179 -9.585 450 2HB ASN 53 1HB ASN 53 -0.051 -19.116 -8.524 451 1HD2 ASN 53 1HD2 ASN 53 0.231 -18.169 -11.993 452 2HD2 ASN 53 2HD2 ASN 53 -0.408 -19.623 -12.593 453 H ASN 54 H ASN 54 -2.273 -16.246 -7.449 454 HA ASN 54 HA ASN 54 -4.435 -18.326 -7.495 455 1HB ASN 54 2HB ASN 54 -2.552 -17.684 -5.495 456 2HB ASN 54 1HB ASN 54 -4.090 -17.020 -4.947 457 1HD2 ASN 54 1HD2 ASN 54 -5.912 -18.537 -4.671 458 2HD2 ASN 54 2HD2 ASN 54 -5.631 -20.205 -4.524 459 H PHE 55 H PHE 55 -6.549 -17.515 -6.733 460 HA PHE 55 HA PHE 55 -7.111 -14.835 -7.770 461 1HB PHE 55 2HB PHE 55 -8.476 -17.320 -7.131 462 2HB PHE 55 1HB PHE 55 -9.393 -15.925 -6.561 463 HD1 PHE 55 HD1 PHE 55 -9.057 -13.831 -8.396 464 HD2 PHE 55 HD2 PHE 55 -9.177 -18.042 -9.229 465 HE1 PHE 55 HE1 PHE 55 -9.775 -13.351 -10.720 466 HE2 PHE 55 HE2 PHE 55 -9.895 -17.563 -11.554 467 HZ PHE 55 HZ PHE 55 -10.195 -15.216 -12.299 468 H ASP 56 H ASP 56 -8.251 -16.299 -4.695 469 HA ASP 56 HA ASP 56 -8.488 -13.679 -3.480 470 1HB ASP 56 2HB ASP 56 -8.912 -16.533 -2.696 471 2HB ASP 56 1HB ASP 56 -8.924 -15.292 -1.442 472 H ASP 57 H ASP 57 -5.802 -15.502 -3.994 473 HA ASP 57 HA ASP 57 -4.499 -14.774 -1.418 474 1HB ASP 57 2HB ASP 57 -4.395 -17.021 -2.970 475 2HB ASP 57 1HB ASP 57 -2.990 -16.141 -3.575 476 H LYS 58 H LYS 58 -4.097 -14.362 -4.958 477 HA LYS 58 HA LYS 58 -1.891 -12.543 -4.832 478 1HB LYS 58 2HB LYS 58 -2.905 -13.790 -6.824 479 2HB LYS 58 1HB LYS 58 -4.166 -12.555 -6.838 480 1HG LYS 58 2HG LYS 58 -2.426 -10.804 -7.076 481 2HG LYS 58 1HG LYS 58 -1.189 -12.060 -7.121 482 1HD LYS 58 2HD LYS 58 -3.513 -12.084 -9.042 483 2HD LYS 58 1HD LYS 58 -2.048 -11.163 -9.385 484 1HE LYS 58 2HE LYS 58 -0.930 -13.046 -9.978 485 2HE LYS 58 1HE LYS 58 -1.410 -13.861 -8.476 486 1HZ LYS 58 1HZ LYS 58 -2.491 -15.029 -10.193 487 2HZ LYS 58 2HZ LYS 58 -2.963 -13.604 -10.987 488 3HZ LYS 58 3HZ LYS 58 -3.689 -14.038 -9.513 489 H LYS 59 H LYS 59 -5.384 -12.146 -4.529 490 HA LYS 59 HA LYS 59 -5.401 -9.247 -4.543 491 1HB LYS 59 2HB LYS 59 -7.382 -10.591 -5.031 492 2HB LYS 59 1HB LYS 59 -7.278 -11.374 -3.454 493 1HG LYS 59 2HG LYS 59 -7.276 -8.561 -3.010 494 2HG LYS 59 1HG LYS 59 -8.589 -8.918 -4.132 495 1HD LYS 59 2HD LYS 59 -8.957 -10.939 -2.391 496 2HD LYS 59 1HD LYS 59 -8.239 -9.754 -1.298 497 1HE LYS 59 2HE LYS 59 -10.031 -8.193 -2.679 498 2HE LYS 59 1HE LYS 59 -10.897 -9.738 -2.580 499 1HZ LYS 59 1HZ LYS 59 -11.057 -8.165 -0.586 500 2HZ LYS 59 2HZ LYS 59 -9.460 -8.636 -0.245 501 3HZ LYS 59 3HZ LYS 59 -10.702 -9.795 -0.277 502 H GLU 60 H GLU 60 -5.518 -11.727 -1.958 503 HA GLU 60 HA GLU 60 -5.477 -9.994 0.290 504 1HB GLU 60 2HB GLU 60 -5.856 -12.435 0.350 505 2HB GLU 60 1HB GLU 60 -4.190 -12.714 -0.161 506 1HG GLU 60 2HG GLU 60 -3.799 -11.085 1.994 507 2HG GLU 60 1HG GLU 60 -5.246 -11.961 2.497 508 H LEU 61 H LEU 61 -2.849 -11.219 -1.775 509 HA LEU 61 HA LEU 61 -0.614 -10.304 -0.292 510 1HB LEU 61 2HB LEU 61 -1.305 -11.022 -3.076 511 2HB LEU 61 1HB LEU 61 0.073 -9.932 -2.935 512 HG LEU 61 HG LEU 61 0.779 -11.639 -1.016 513 1HD1 LEU 61 1HD1 LEU 61 -1.240 -13.018 -1.189 514 2HD1 LEU 61 2HD1 LEU 61 0.169 -13.954 -1.689 515 3HD1 LEU 61 3HD1 LEU 61 -0.927 -13.293 -2.903 516 1HD2 LEU 61 1HD2 LEU 61 1.975 -11.066 -3.187 517 2HD2 LEU 61 2HD2 LEU 61 1.098 -12.402 -3.934 518 3HD2 LEU 61 3HD2 LEU 61 2.226 -12.715 -2.613 519 H ALA 62 H ALA 62 -2.683 -8.597 -2.665 520 HA ALA 62 HA ALA 62 -1.266 -6.123 -2.656 521 1HB ALA 62 1HB ALA 62 -3.200 -5.274 -3.702 522 2HB ALA 62 2HB ALA 62 -4.263 -6.367 -2.813 523 3HB ALA 62 3HB ALA 62 -3.238 -6.990 -4.107 524 H GLU 63 H GLU 63 -3.773 -7.439 -0.484 525 HA GLU 63 HA GLU 63 -4.344 -5.163 1.051 526 1HB GLU 63 2HB GLU 63 -4.681 -7.970 1.176 527 2HB GLU 63 1HB GLU 63 -4.007 -7.477 2.730 528 1HG GLU 63 2HG GLU 63 -5.893 -5.525 2.274 529 2HG GLU 63 1HG GLU 63 -6.666 -6.953 1.586 530 H THR 64 H THR 64 -1.576 -7.168 0.976 531 HA THR 64 HA THR 64 -0.259 -5.954 3.311 532 HB THR 64 HB THR 64 0.704 -7.838 1.126 533 HG1 THR 64 HG1 THR 64 -0.998 -8.648 2.418 534 1HG2 THR 64 1HG2 THR 64 2.607 -8.265 2.455 535 2HG2 THR 64 2HG2 THR 64 1.904 -7.472 3.865 536 3HG2 THR 64 3HG2 THR 64 2.438 -6.509 2.487 537 H LEU 65 H LEU 65 -0.159 -5.722 -0.235 538 HA LEU 65 HA LEU 65 2.145 -3.910 -0.258 539 1HB LEU 65 2HB LEU 65 0.104 -4.858 -2.272 540 2HB LEU 65 1HB LEU 65 1.380 -3.717 -2.690 541 HG LEU 65 HG LEU 65 2.095 -6.267 -1.284 542 1HD1 LEU 65 1HD1 LEU 65 1.434 -5.913 -4.213 543 2HD1 LEU 65 2HD1 LEU 65 0.774 -7.105 -3.093 544 3HD1 LEU 65 3HD1 LEU 65 2.453 -7.223 -3.618 545 1HD2 LEU 65 1HD2 LEU 65 4.212 -5.893 -2.324 546 2HD2 LEU 65 2HD2 LEU 65 3.681 -4.311 -1.756 547 3HD2 LEU 65 3HD2 LEU 65 3.528 -4.733 -3.460 548 H SER 66 H SER 66 -1.351 -3.558 -1.042 549 HA SER 66 HA SER 66 -1.418 -0.766 -1.427 550 1HB SER 66 2HB SER 66 -3.732 -1.068 -1.250 551 2HB SER 66 1HB SER 66 -3.195 -2.718 -1.556 552 HG SER 66 HG SER 66 -3.705 -3.249 0.428 553 H GLU 67 H GLU 67 -1.621 -2.603 1.635 554 HA GLU 67 HA GLU 67 -1.950 -0.230 3.291 555 1HB GLU 67 2HB GLU 67 -1.133 -3.103 3.840 556 2HB GLU 67 1HB GLU 67 -1.511 -1.925 5.098 557 1HG GLU 67 2HG GLU 67 -3.395 -2.829 2.899 558 2HG GLU 67 1HG GLU 67 -3.482 -3.312 4.593 559 H ALA 68 H ALA 68 0.784 -2.222 2.229 560 HA ALA 68 HA ALA 68 2.734 -0.924 3.963 561 1HB ALA 68 1HB ALA 68 3.008 -2.601 1.446 562 2HB ALA 68 2HB ALA 68 2.920 -3.234 3.090 563 3HB ALA 68 3HB ALA 68 4.304 -2.259 2.592 564 H THR 69 H THR 69 1.556 -0.441 0.661 565 HA THR 69 HA THR 69 3.653 1.516 0.008 566 HB THR 69 HB THR 69 2.160 1.727 -2.059 567 HG1 THR 69 HG1 THR 69 0.431 0.404 -2.187 568 1HG2 THR 69 1HG2 THR 69 4.088 0.035 -1.655 569 2HG2 THR 69 2HG2 THR 69 2.967 -0.289 -2.976 570 3HG2 THR 69 3HG2 THR 69 2.803 -1.156 -1.449 571 H ARG 70 H ARG 70 1.171 1.768 2.122 572 HA ARG 70 HA ARG 70 -0.182 3.560 2.883 573 1HB ARG 70 2HB ARG 70 2.246 4.373 2.952 574 2HB ARG 70 1HB ARG 70 1.910 5.206 1.433 575 1HG ARG 70 2HG ARG 70 0.705 6.829 2.460 576 2HG ARG 70 1HG ARG 70 -0.131 5.670 3.494 577 1HD ARG 70 2HD ARG 70 2.166 5.494 4.744 578 2HD ARG 70 1HD ARG 70 2.503 7.053 3.966 579 HE ARG 70 HE ARG 70 -0.078 7.324 4.975 580 1HH1 ARG 70 1HH1 ARG 70 2.314 8.910 5.946 581 2HH1 ARG 70 2HH1 ARG 70 2.328 8.517 7.632 582 1HH2 ARG 70 1HH2 ARG 70 0.236 5.774 7.282 583 2HH2 ARG 70 2HH2 ARG 70 1.152 6.742 8.388 584 H SER 71 H SER 71 -1.074 2.416 0.478 585 HA SER 71 HA SER 71 -2.225 4.802 -0.933 586 1HB SER 71 2HB SER 71 -0.275 3.937 -2.144 587 2HB SER 71 1HB SER 71 -0.943 2.312 -2.102 588 HG SER 71 HG SER 71 -1.308 3.643 -4.062 589 H GLU 72 H GLU 72 -3.824 3.567 -2.734 590 HA GLU 72 HA GLU 72 -5.414 1.561 -1.183 591 1HB GLU 72 2HB GLU 72 -6.093 4.140 -1.337 592 2HB GLU 72 1HB GLU 72 -6.750 3.623 -2.890 593 1HG GLU 72 2HG GLU 72 -8.530 3.344 -1.331 594 2HG GLU 72 1HG GLU 72 -7.892 1.723 -1.609 595 H LEU 73 H LEU 73 -5.537 -0.299 -2.401 596 HA LEU 73 HA LEU 73 -4.846 -0.583 -5.122 597 1HB LEU 73 2HB LEU 73 -5.760 -2.097 -2.905 598 2HB LEU 73 1HB LEU 73 -6.872 -2.455 -4.218 599 HG LEU 73 HG LEU 73 -3.918 -2.896 -4.058 600 1HD1 LEU 73 1HD1 LEU 73 -4.821 -5.113 -5.099 601 2HD1 LEU 73 2HD1 LEU 73 -6.421 -4.489 -4.703 602 3HD1 LEU 73 3HD1 LEU 73 -5.249 -4.788 -3.419 603 1HD2 LEU 73 1HD2 LEU 73 -3.782 -2.182 -6.237 604 2HD2 LEU 73 2HD2 LEU 73 -5.526 -2.242 -6.465 605 3HD2 LEU 73 3HD2 LEU 73 -4.567 -3.714 -6.602 606 H VAL 74 H VAL 74 -6.038 0.680 -6.711 607 HA VAL 74 HA VAL 74 -8.931 0.972 -6.481 608 HB VAL 74 HB VAL 74 -8.761 1.867 -8.765 609 1HG1 VAL 74 1HG1 VAL 74 -7.662 3.756 -8.158 610 2HG1 VAL 74 2HG1 VAL 74 -6.220 2.878 -7.650 611 3HG1 VAL 74 3HG1 VAL 74 -7.621 2.968 -6.583 612 1HG2 VAL 74 1HG2 VAL 74 -6.591 1.851 -9.929 613 2HG2 VAL 74 2HG2 VAL 74 -7.215 0.218 -9.681 614 3HG2 VAL 74 3HG2 VAL 74 -5.930 0.839 -8.647 615 H GLN 75 H GLN 75 -6.632 -1.324 -7.876 616 HA GLN 75 HA GLN 75 -8.432 -3.479 -7.828 617 1HB GLN 75 2HB GLN 75 -9.084 -1.725 -9.857 618 2HB GLN 75 1HB GLN 75 -8.131 -2.949 -10.692 619 1HG GLN 75 2HG GLN 75 -10.470 -3.614 -10.737 620 2HG GLN 75 1HG GLN 75 -9.593 -4.711 -9.673 621 1HE2 GLN 75 1HE2 GLN 75 -12.175 -2.392 -9.819 622 2HE2 GLN 75 2HE2 GLN 75 -12.571 -2.417 -8.169 623 H VAL 76 H VAL 76 -7.831 -5.315 -9.230 624 HA VAL 76 HA VAL 76 -4.852 -5.491 -9.328 625 HB VAL 76 HB VAL 76 -7.046 -6.875 -7.948 626 1HG1 VAL 76 1HG1 VAL 76 -5.581 -9.091 -8.041 627 2HG1 VAL 76 2HG1 VAL 76 -5.100 -8.463 -9.618 628 3HG1 VAL 76 3HG1 VAL 76 -6.800 -8.790 -9.280 629 1HG2 VAL 76 1HG2 VAL 76 -5.548 -6.836 -6.257 630 2HG2 VAL 76 2HG2 VAL 76 -4.588 -5.801 -7.315 631 3HG2 VAL 76 3HG2 VAL 76 -4.266 -7.533 -7.248 632 H ILE 77 H ILE 77 -4.283 -5.680 -11.510 633 HA ILE 77 HA ILE 77 -6.195 -6.751 -13.462 634 HB ILE 77 HB ILE 77 -3.410 -5.568 -13.503 635 1HG1 ILE 77 2HG1 ILE 77 -5.255 -4.022 -12.993 636 2HG1 ILE 77 1HG1 ILE 77 -4.593 -3.681 -14.592 637 1HG2 ILE 77 1HG2 ILE 77 -5.115 -6.623 -15.751 638 2HG2 ILE 77 2HG2 ILE 77 -3.437 -7.018 -15.378 639 3HG2 ILE 77 3HG2 ILE 77 -3.849 -5.424 -16.010 640 1HD1 ILE 77 1HD1 ILE 77 -6.835 -3.721 -15.133 641 2HD1 ILE 77 2HD1 ILE 77 -7.234 -4.856 -13.843 642 3HD1 ILE 77 3HD1 ILE 77 -6.475 -5.437 -15.325 643 H GLY 78 H GLY 78 -6.331 -9.023 -13.143 644 1HA GLY 78 2HA GLY 78 -5.621 -11.267 -13.116 645 2HA GLY 78 1HA GLY 78 -4.505 -10.734 -14.373 646 H SER 79 H SER 79 -2.371 -10.902 -13.909 647 HA SER 79 HA SER 79 -1.549 -11.668 -11.180 648 1HB SER 79 2HB SER 79 -0.641 -11.949 -13.930 649 2HB SER 79 1HB SER 79 0.675 -11.460 -12.866 650 HG SER 79 HG SER 79 0.682 -13.538 -12.448 651 H MET 80 H MET 80 -2.290 -8.765 -12.260 652 HA MET 80 HA MET 80 0.143 -7.487 -11.102 653 1HB MET 80 2HB MET 80 -1.488 -6.997 -13.523 654 2HB MET 80 1HB MET 80 -0.999 -5.550 -12.641 655 1HG MET 80 2HG MET 80 1.316 -6.081 -12.848 656 2HG MET 80 1HG MET 80 0.965 -7.730 -13.367 657 1HE MET 80 1HE MET 80 0.910 -7.861 -16.796 658 2HE MET 80 2HE MET 80 -0.719 -7.884 -16.126 659 3HE MET 80 3HE MET 80 0.619 -8.550 -15.193 660 H ILE 81 H ILE 81 -0.261 -5.484 -9.885 661 HA ILE 81 HA ILE 81 -3.029 -5.364 -8.733 662 HB ILE 81 HB ILE 81 -0.321 -4.762 -7.499 663 1HG1 ILE 81 2HG1 ILE 81 -2.129 -6.983 -6.613 664 2HG1 ILE 81 1HG1 ILE 81 -1.160 -7.224 -8.068 665 1HG2 ILE 81 1HG2 ILE 81 -1.526 -4.506 -5.413 666 2HG2 ILE 81 2HG2 ILE 81 -3.042 -4.979 -6.180 667 3HG2 ILE 81 3HG2 ILE 81 -2.278 -3.448 -6.606 668 1HD1 ILE 81 1HD1 ILE 81 0.864 -6.521 -6.742 669 2HD1 ILE 81 2HD1 ILE 81 0.130 -8.025 -6.189 670 3HD1 ILE 81 3HD1 ILE 81 -0.149 -6.528 -5.299 671 H VAL 82 H VAL 82 -4.002 -3.355 -8.764 672 HA VAL 82 HA VAL 82 -2.452 -1.078 -9.931 673 HB VAL 82 HB VAL 82 -5.474 -1.557 -9.683 674 1HG1 VAL 82 1HG1 VAL 82 -3.816 0.300 -11.456 675 2HG1 VAL 82 2HG1 VAL 82 -4.580 0.813 -9.967 676 3HG1 VAL 82 3HG1 VAL 82 -5.572 0.266 -11.320 677 1HG2 VAL 82 1HG2 VAL 82 -5.338 -2.308 -12.000 678 2HG2 VAL 82 2HG2 VAL 82 -4.169 -3.255 -11.080 679 3HG2 VAL 82 3HG2 VAL 82 -3.620 -1.921 -12.093 680 H ILE 83 H ILE 83 -1.692 0.234 -8.265 681 HA ILE 83 HA ILE 83 -3.671 0.923 -6.112 682 HB ILE 83 HB ILE 83 -0.652 0.682 -5.902 683 1HG1 ILE 83 2HG1 ILE 83 -2.716 -1.231 -4.783 684 2HG1 ILE 83 1HG1 ILE 83 -1.987 -1.481 -6.366 685 1HG2 ILE 83 1HG2 ILE 83 -0.944 1.726 -3.940 686 2HG2 ILE 83 2HG2 ILE 83 -1.951 0.378 -3.410 687 3HG2 ILE 83 3HG2 ILE 83 -2.690 1.780 -4.185 688 1HD1 ILE 83 1HD1 ILE 83 -0.718 -1.617 -3.658 689 2HD1 ILE 83 2HD1 ILE 83 0.269 -1.156 -5.045 690 3HD1 ILE 83 3HD1 ILE 83 -0.554 -2.715 -5.028 691 H TYR 84 H TYR 84 -3.872 3.077 -5.619 692 HA TYR 84 HA TYR 84 -2.128 5.007 -7.113 693 1HB TYR 84 2HB TYR 84 -4.386 5.013 -7.970 694 2HB TYR 84 1HB TYR 84 -5.063 5.011 -6.343 695 HD1 TYR 84 HD1 TYR 84 -5.780 7.043 -5.449 696 HD2 TYR 84 HD2 TYR 84 -2.716 7.035 -8.457 697 HE1 TYR 84 HE1 TYR 84 -5.762 9.525 -5.443 698 HE2 TYR 84 HE2 TYR 84 -2.698 9.514 -8.453 699 HH TYR 84 HH TYR 84 -3.437 11.349 -6.466 700 H ARG 85 H ARG 85 -0.701 5.787 -5.525 701 HA ARG 85 HA ARG 85 -1.686 6.086 -2.735 702 1HB ARG 85 2HB ARG 85 0.510 5.017 -3.452 703 2HB ARG 85 1HB ARG 85 1.061 6.637 -3.870 704 1HG ARG 85 2HG ARG 85 -0.030 6.923 -1.316 705 2HG ARG 85 1HG ARG 85 0.838 5.390 -1.249 706 1HD ARG 85 2HD ARG 85 2.903 6.384 -1.663 707 2HD ARG 85 1HD ARG 85 2.182 7.747 -2.541 708 HE ARG 85 HE ARG 85 1.220 7.805 0.141 709 1HH1 ARG 85 1HH1 ARG 85 3.042 9.617 -1.845 710 2HH1 ARG 85 2HH1 ARG 85 4.220 10.122 -0.680 711 1HH2 ARG 85 1HH2 ARG 85 3.208 7.841 1.726 712 2HH2 ARG 85 2HH2 ARG 85 4.316 9.114 1.339 713 H GLU 86 H GLU 86 -2.597 7.960 -2.192 714 HA GLU 86 HA GLU 86 -3.284 10.263 -2.464 715 1HB GLU 86 2HB GLU 86 -1.634 11.480 -1.162 716 2HB GLU 86 1HB GLU 86 -1.711 9.820 -0.576 717 1HG GLU 86 2HG GLU 86 0.325 9.228 -1.642 718 2HG GLU 86 1HG GLU 86 0.305 10.666 -2.663 719 H SER 87 H SER 87 -1.152 12.363 -2.807 720 HA SER 87 HA SER 87 -0.772 12.208 -5.775 721 1HB SER 87 2HB SER 87 -1.291 14.803 -4.378 722 2HB SER 87 1HB SER 87 -1.711 14.316 -6.018 723 HG SER 87 HG SER 87 -3.122 14.076 -3.693 724 H LYS 88 H LYS 88 1.203 13.129 -6.516 725 HA LYS 88 HA LYS 88 2.939 14.524 -4.581 726 1HB LYS 88 2HB LYS 88 3.281 12.073 -4.212 727 2HB LYS 88 1HB LYS 88 3.700 11.898 -5.917 728 1HG LYS 88 2HG LYS 88 5.818 12.157 -5.031 729 2HG LYS 88 1HG LYS 88 5.414 13.849 -5.326 730 1HD LYS 88 2HD LYS 88 4.331 13.176 -2.789 731 2HD LYS 88 1HD LYS 88 5.985 12.562 -2.822 732 1HE LYS 88 2HE LYS 88 6.774 14.803 -3.596 733 2HE LYS 88 1HE LYS 88 5.114 15.410 -3.432 734 1HZ LYS 88 1HZ LYS 88 6.081 15.845 -1.367 735 2HZ LYS 88 2HZ LYS 88 6.904 14.359 -1.325 736 3HZ LYS 88 3HZ LYS 88 5.219 14.407 -1.109 737 H GLU 89 H GLU 89 3.184 12.751 -7.676 738 HA GLU 89 HA GLU 89 4.512 15.112 -8.890 739 1HB GLU 89 2HB GLU 89 4.718 12.318 -9.113 740 2HB GLU 89 1HB GLU 89 3.936 12.823 -10.611 741 1HG GLU 89 2HG GLU 89 5.865 13.670 -11.400 742 2HG GLU 89 1HG GLU 89 6.076 14.649 -9.950 743 H ASN 90 H ASN 90 3.225 16.566 -9.898 744 HA ASN 90 HA ASN 90 0.401 16.330 -10.205 745 1HB ASN 90 2HB ASN 90 1.981 18.379 -10.125 746 2HB ASN 90 1HB ASN 90 2.216 18.106 -11.852 747 1HD2 ASN 90 1HD2 ASN 90 0.221 19.697 -9.610 748 2HD2 ASN 90 2HD2 ASN 90 -1.109 19.984 -10.624 749 H LYS 91 H LYS 91 0.352 14.187 -11.258 750 HA LYS 91 HA LYS 91 0.939 14.180 -14.183 751 1HB LYS 91 2HB LYS 91 1.559 12.341 -12.420 752 2HB LYS 91 1HB LYS 91 -0.149 11.910 -12.509 753 1HG LYS 91 2HG LYS 91 0.385 10.661 -14.314 754 2HG LYS 91 1HG LYS 91 0.610 12.183 -15.177 755 1HD LYS 91 2HD LYS 91 2.873 11.251 -13.480 756 2HD LYS 91 1HD LYS 91 2.571 10.358 -14.970 757 1HE LYS 91 2HE LYS 91 2.356 13.110 -15.638 758 2HE LYS 91 1HE LYS 91 3.833 12.929 -14.668 759 1HZ LYS 91 1HZ LYS 91 3.121 11.010 -16.806 760 2HZ LYS 91 2HZ LYS 91 4.630 11.248 -16.061 761 3HZ LYS 91 3HZ LYS 91 4.018 12.410 -17.139 762 H GLU 92 H GLU 92 -0.903 13.515 -15.627 763 HA GLU 92 HA GLU 92 -3.357 14.878 -14.997 764 1HB GLU 92 2HB GLU 92 -4.110 13.790 -17.097 765 2HB GLU 92 1HB GLU 92 -2.479 14.435 -17.275 766 1HG GLU 92 2HG GLU 92 -1.710 12.386 -17.790 767 2HG GLU 92 1HG GLU 92 -2.277 11.776 -16.236 768 H ILE 93 H ILE 93 -3.556 13.787 -12.815 769 HA ILE 93 HA ILE 93 -4.757 11.058 -12.929 770 HB ILE 93 HB ILE 93 -3.253 12.753 -10.928 771 1HG1 ILE 93 2HG1 ILE 93 -2.110 11.156 -12.494 772 2HG1 ILE 93 1HG1 ILE 93 -1.841 10.786 -10.792 773 1HG2 ILE 93 1HG2 ILE 93 -3.755 10.967 -9.204 774 2HG2 ILE 93 2HG2 ILE 93 -5.021 10.365 -10.274 775 3HG2 ILE 93 3HG2 ILE 93 -5.134 11.991 -9.600 776 1HD1 ILE 93 1HD1 ILE 93 -3.742 9.127 -10.935 777 2HD1 ILE 93 2HD1 ILE 93 -2.341 8.708 -11.920 778 3HD1 ILE 93 3HD1 ILE 93 -3.773 9.404 -12.677 779 H GLU 94 H GLU 94 -6.877 10.782 -12.290 780 HA GLU 94 HA GLU 94 -8.398 13.222 -11.430 781 1HB GLU 94 2HB GLU 94 -10.367 11.797 -12.219 782 2HB GLU 94 1HB GLU 94 -9.276 12.370 -13.478 783 1HG GLU 94 2HG GLU 94 -8.517 9.776 -12.294 784 2HG GLU 94 1HG GLU 94 -10.053 9.760 -13.160 785 H LEU 95 H LEU 95 -9.958 12.946 -9.748 786 HA LEU 95 HA LEU 95 -10.307 10.406 -8.467 787 1HB LEU 95 2HB LEU 95 -7.915 11.573 -7.904 788 2HB LEU 95 1HB LEU 95 -8.907 12.264 -6.619 789 HG LEU 95 HG LEU 95 -9.730 9.729 -6.431 790 1HD1 LEU 95 1HD1 LEU 95 -7.630 8.306 -6.704 791 2HD1 LEU 95 2HD1 LEU 95 -6.978 9.636 -7.661 792 3HD1 LEU 95 3HD1 LEU 95 -8.435 8.798 -8.195 793 1HD2 LEU 95 1HD2 LEU 95 -7.610 9.473 -4.847 794 2HD2 LEU 95 2HD2 LEU 95 -8.892 10.622 -4.465 795 3HD2 LEU 95 3HD2 LEU 95 -7.406 11.182 -5.234 796 HA PRO 96 HA PRO 96 -13.310 13.894 -7.628 797 1HB PRO 96 2HB PRO 96 -15.484 12.708 -8.784 798 2HB PRO 96 1HB PRO 96 -14.350 13.738 -9.683 799 1HG PRO 96 2HG PRO 96 -14.515 10.771 -9.555 800 2HG PRO 96 1HG PRO 96 -14.182 11.824 -10.938 801 1HD PRO 96 2HD PRO 96 -12.239 10.473 -9.600 802 2HD PRO 96 1HD PRO 96 -11.956 12.027 -10.419 Start of MODEL 5 1 1H MET 1 1HT MET 1 -8.377 5.488 0.932 2 2H MET 1 2HT MET 1 -9.294 6.296 2.112 3 3H MET 1 3HT MET 1 -7.603 6.217 2.254 4 HA MET 1 HA MET 1 -8.612 8.403 1.404 5 1HB MET 1 2HB MET 1 -6.284 6.775 0.722 6 2HB MET 1 1HB MET 1 -6.647 7.971 -0.523 7 1HG MET 1 2HG MET 1 -5.193 9.053 1.050 8 2HG MET 1 1HG MET 1 -6.811 9.692 1.346 9 1HE MET 1 1HE MET 1 -7.757 8.979 4.676 10 2HE MET 1 2HE MET 1 -8.027 9.661 3.074 11 3HE MET 1 3HE MET 1 -6.753 10.318 4.099 12 H LEU 2 H LEU 2 -8.166 5.782 -1.014 13 HA LEU 2 HA LEU 2 -9.677 7.283 -3.020 14 1HB LEU 2 2HB LEU 2 -7.683 5.803 -3.455 15 2HB LEU 2 1HB LEU 2 -8.728 4.424 -3.092 16 HG LEU 2 HG LEU 2 -9.824 6.422 -5.001 17 1HD1 LEU 2 1HD1 LEU 2 -7.644 4.463 -5.795 18 2HD1 LEU 2 2HD1 LEU 2 -7.444 6.211 -5.723 19 3HD1 LEU 2 3HD1 LEU 2 -8.559 5.500 -6.887 20 1HD2 LEU 2 1HD2 LEU 2 -10.682 4.084 -4.102 21 2HD2 LEU 2 2HD2 LEU 2 -9.673 3.474 -5.413 22 3HD2 LEU 2 3HD2 LEU 2 -10.986 4.595 -5.758 23 H THR 3 H THR 3 -11.623 6.737 -3.879 24 HA THR 3 HA THR 3 -13.297 4.932 -2.189 25 HB THR 3 HB THR 3 -13.279 7.696 -2.601 26 HG1 THR 3 HG1 THR 3 -15.290 7.456 -1.345 27 1HG2 THR 3 1HG2 THR 3 -15.913 6.650 -3.652 28 2HG2 THR 3 2HG2 THR 3 -14.612 7.116 -4.743 29 3HG2 THR 3 3HG2 THR 3 -15.314 8.308 -3.653 30 H GLY 4 H GLY 4 -15.289 4.184 -3.386 31 1HA GLY 4 2HA GLY 4 -14.728 2.614 -5.603 32 2HA GLY 4 1HA GLY 4 -16.352 3.188 -5.238 33 H LYS 5 H LYS 5 -16.189 5.891 -5.743 34 HA LYS 5 HA LYS 5 -16.390 6.029 -8.581 35 1HB LYS 5 2HB LYS 5 -17.512 7.554 -7.051 36 2HB LYS 5 1HB LYS 5 -15.961 8.156 -6.464 37 1HG LYS 5 2HG LYS 5 -15.642 9.486 -8.287 38 2HG LYS 5 1HG LYS 5 -16.324 8.295 -9.395 39 1HD LYS 5 2HD LYS 5 -18.089 9.726 -9.495 40 2HD LYS 5 1HD LYS 5 -18.538 9.005 -7.949 41 1HE LYS 5 2HE LYS 5 -17.637 10.808 -6.709 42 2HE LYS 5 1HE LYS 5 -16.655 11.369 -8.076 43 1HZ LYS 5 1HZ LYS 5 -19.604 11.203 -8.243 44 2HZ LYS 5 2HZ LYS 5 -18.538 12.072 -9.240 45 3HZ LYS 5 3HZ LYS 5 -18.833 12.592 -7.649 46 H GLN 6 H GLN 6 -13.705 7.068 -6.423 47 HA GLN 6 HA GLN 6 -12.070 8.089 -8.565 48 1HB GLN 6 2HB GLN 6 -11.438 7.059 -5.782 49 2HB GLN 6 1HB GLN 6 -10.370 8.068 -6.757 50 1HG GLN 6 2HG GLN 6 -11.763 9.946 -6.571 51 2HG GLN 6 1HG GLN 6 -13.185 8.975 -6.207 52 1HE2 GLN 6 1HE2 GLN 6 -12.802 11.015 -4.449 53 2HE2 GLN 6 2HE2 GLN 6 -12.153 10.461 -2.982 54 H LYS 7 H LYS 7 -12.597 4.940 -7.135 55 HA LYS 7 HA LYS 7 -10.279 3.570 -8.210 56 1HB LYS 7 2HB LYS 7 -11.561 2.671 -6.369 57 2HB LYS 7 1HB LYS 7 -13.063 2.775 -7.282 58 1HG LYS 7 2HG LYS 7 -12.307 1.051 -8.820 59 2HG LYS 7 1HG LYS 7 -10.724 1.013 -8.046 60 1HD LYS 7 2HD LYS 7 -13.360 0.306 -6.718 61 2HD LYS 7 1HD LYS 7 -12.129 -0.847 -7.238 62 1HE LYS 7 2HE LYS 7 -11.255 -0.625 -5.147 63 2HE LYS 7 1HE LYS 7 -10.714 0.984 -5.663 64 1HZ LYS 7 1HZ LYS 7 -12.687 1.967 -4.896 65 2HZ LYS 7 2HZ LYS 7 -12.219 0.915 -3.647 66 3HZ LYS 7 3HZ LYS 7 -13.471 0.475 -4.709 67 H ARG 8 H ARG 8 -13.637 4.077 -9.351 68 HA ARG 8 HA ARG 8 -13.603 2.472 -11.663 69 1HB ARG 8 2HB ARG 8 -15.527 3.726 -10.683 70 2HB ARG 8 1HB ARG 8 -14.817 5.230 -11.270 71 1HG ARG 8 2HG ARG 8 -15.295 4.757 -13.481 72 2HG ARG 8 1HG ARG 8 -15.204 3.013 -13.237 73 1HD ARG 8 2HD ARG 8 -17.425 2.862 -12.759 74 2HD ARG 8 1HD ARG 8 -17.378 4.298 -11.715 75 HE ARG 8 HE ARG 8 -17.774 4.315 -14.657 76 1HH1 ARG 8 1HH1 ARG 8 -16.302 6.265 -12.361 77 2HH1 ARG 8 2HH1 ARG 8 -17.283 7.661 -12.657 78 1HH2 ARG 8 1HH2 ARG 8 -19.480 5.999 -14.762 79 2HH2 ARG 8 2HH2 ARG 8 -19.082 7.511 -14.018 80 H TYR 9 H TYR 9 -12.759 5.950 -11.456 81 HA TYR 9 HA TYR 9 -11.825 6.246 -14.138 82 1HB TYR 9 2HB TYR 9 -11.072 7.637 -11.548 83 2HB TYR 9 1HB TYR 9 -10.724 8.265 -13.160 84 HD1 TYR 9 HD1 TYR 9 -12.722 9.043 -10.641 85 HD2 TYR 9 HD2 TYR 9 -13.154 7.601 -14.664 86 HE1 TYR 9 HE1 TYR 9 -15.000 10.018 -10.745 87 HE2 TYR 9 HE2 TYR 9 -15.432 8.577 -14.769 88 HH TYR 9 HH TYR 9 -16.612 10.636 -13.439 89 H LEU 10 H LEU 10 -9.997 5.757 -11.124 90 HA LEU 10 HA LEU 10 -7.443 5.605 -12.442 91 1HB LEU 10 2HB LEU 10 -8.538 5.807 -9.855 92 2HB LEU 10 1HB LEU 10 -7.547 4.345 -9.848 93 HG LEU 10 HG LEU 10 -6.617 7.002 -10.941 94 1HD1 LEU 10 1HD1 LEU 10 -6.252 5.709 -8.225 95 2HD1 LEU 10 2HD1 LEU 10 -6.887 7.317 -8.578 96 3HD1 LEU 10 3HD1 LEU 10 -5.179 6.966 -8.834 97 1HD2 LEU 10 1HD2 LEU 10 -4.502 5.947 -11.130 98 2HD2 LEU 10 2HD2 LEU 10 -5.635 4.709 -11.675 99 3HD2 LEU 10 3HD2 LEU 10 -4.964 4.635 -10.045 100 H ARG 11 H ARG 11 -9.547 3.060 -11.037 101 HA ARG 11 HA ARG 11 -7.884 0.851 -11.388 102 1HB ARG 11 2HB ARG 11 -10.057 0.720 -10.314 103 2HB ARG 11 1HB ARG 11 -10.874 1.184 -11.807 104 1HG ARG 11 2HG ARG 11 -9.122 -1.193 -12.020 105 2HG ARG 11 1HG ARG 11 -10.556 -1.400 -11.014 106 1HD ARG 11 2HD ARG 11 -10.933 -0.039 -13.650 107 2HD ARG 11 1HD ARG 11 -10.672 -1.795 -13.656 108 HE ARG 11 HE ARG 11 -12.847 -0.427 -12.121 109 1HH1 ARG 11 1HH2 ARG 11 -12.601 -2.445 -14.650 110 2HH1 ARG 11 2HH2 ARG 11 -13.423 -3.798 -13.947 111 1HH2 ARG 11 1HH1 ARG 11 -13.395 -2.486 -10.738 112 2HH2 ARG 11 2HH1 ARG 11 -13.873 -3.821 -11.732 113 H SER 12 H SER 12 -9.746 2.638 -13.816 114 HA SER 12 HA SER 12 -9.271 0.715 -15.969 115 1HB SER 12 2HB SER 12 -10.480 2.335 -17.270 116 2HB SER 12 1HB SER 12 -11.219 2.329 -15.671 117 HG SER 12 HG SER 12 -10.855 4.437 -16.106 118 H LEU 13 H LEU 13 -7.785 3.761 -14.869 119 HA LEU 13 HA LEU 13 -6.135 4.348 -17.092 120 1HB LEU 13 2HB LEU 13 -5.913 4.648 -14.100 121 2HB LEU 13 1HB LEU 13 -4.616 5.206 -15.141 122 HG LEU 13 HG LEU 13 -6.891 6.645 -14.390 123 1HD1 LEU 13 1HD1 LEU 13 -5.909 8.383 -15.686 124 2HD1 LEU 13 2HD1 LEU 13 -5.173 7.233 -16.802 125 3HD1 LEU 13 3HD1 LEU 13 -4.570 7.367 -15.150 126 1HD2 LEU 13 1HD2 LEU 13 -7.090 5.988 -17.346 127 2HD2 LEU 13 2HD2 LEU 13 -8.095 7.125 -16.451 128 3HD2 LEU 13 3HD2 LEU 13 -8.209 5.398 -16.117 129 H ALA 14 H ALA 14 -5.388 2.326 -14.255 130 HA ALA 14 HA ALA 14 -2.772 1.531 -14.860 131 1HB ALA 14 1HB ALA 14 -4.749 0.966 -13.037 132 2HB ALA 14 2HB ALA 14 -3.165 0.196 -13.075 133 3HB ALA 14 3HB ALA 14 -4.544 -0.586 -13.845 134 H HIS 15 H HIS 15 -5.756 0.554 -16.420 135 HA HIS 15 HA HIS 15 -5.153 -1.985 -17.442 136 1HB HIS 15 2HB HIS 15 -7.225 -0.369 -17.557 137 2HB HIS 15 1HB HIS 15 -6.528 0.094 -19.110 138 HD1 HIS 15 HD1 HIS 15 -6.895 -3.302 -17.396 139 HD2 HIS 15 HD2 HIS 15 -7.794 -1.446 -21.019 140 HE1 HIS 15 HE1 HIS 15 -7.931 -5.078 -18.872 141 H ASN 16 H ASN 16 -4.351 1.170 -18.990 142 HA ASN 16 HA ASN 16 -2.839 -0.305 -21.082 143 1HB ASN 16 2HB ASN 16 -4.452 1.465 -21.666 144 2HB ASN 16 1HB ASN 16 -3.528 2.623 -20.708 145 1HD2 ASN 16 1HD2 ASN 16 -1.580 3.480 -21.619 146 2HD2 ASN 16 2HD2 ASN 16 -1.064 3.121 -23.196 147 H ILE 17 H ILE 17 -1.987 0.555 -18.070 148 HA ILE 17 HA ILE 17 0.545 1.903 -18.772 149 HB ILE 17 HB ILE 17 -0.257 1.178 -15.987 150 1HG1 ILE 17 2HG1 ILE 17 -1.726 3.100 -17.812 151 2HG1 ILE 17 1HG1 ILE 17 -2.391 1.892 -16.731 152 1HG2 ILE 17 1HG2 ILE 17 1.782 2.420 -16.421 153 2HG2 ILE 17 2HG2 ILE 17 0.619 3.459 -15.612 154 3HG2 ILE 17 3HG2 ILE 17 0.882 3.615 -17.347 155 1HD1 ILE 17 1HD1 ILE 17 -1.600 3.231 -14.792 156 2HD1 ILE 17 2HD1 ILE 17 -2.747 4.114 -15.795 157 3HD1 ILE 17 3HD1 ILE 17 -1.021 4.461 -15.913 158 H ASP 18 H ASP 18 2.478 1.016 -17.410 159 HA ASP 18 HA ASP 18 2.595 -1.937 -17.797 160 1HB ASP 18 2HB ASP 18 4.472 0.381 -17.968 161 2HB ASP 18 1HB ASP 18 5.151 -1.185 -17.520 162 HA PRO 19 HA PRO 19 2.813 -2.652 -13.447 163 1HB PRO 19 2HB PRO 19 4.538 -4.793 -13.409 164 2HB PRO 19 1HB PRO 19 2.831 -4.917 -13.882 165 1HG PRO 19 2HG PRO 19 5.254 -4.651 -15.618 166 2HG PRO 19 1HG PRO 19 3.872 -5.750 -15.784 167 1HD PRO 19 2HD PRO 19 4.027 -3.537 -17.260 168 2HD PRO 19 1HD PRO 19 2.466 -4.069 -16.586 169 H ILE 20 H ILE 20 3.904 -1.010 -12.407 170 HA ILE 20 HA ILE 20 6.410 0.055 -12.874 171 HB ILE 20 HB ILE 20 4.976 1.148 -11.402 172 1HG1 ILE 20 2HG1 ILE 20 7.503 0.934 -10.677 173 2HG1 ILE 20 1HG1 ILE 20 6.335 1.774 -9.665 174 1HG2 ILE 20 1HG2 ILE 20 4.505 -0.163 -9.087 175 2HG2 ILE 20 2HG2 ILE 20 4.546 -1.505 -10.220 176 3HG2 ILE 20 3HG2 ILE 20 3.423 -0.181 -10.476 177 1HD1 ILE 20 1HD1 ILE 20 6.019 -0.323 -8.351 178 2HD1 ILE 20 2HD1 ILE 20 7.665 0.289 -8.286 179 3HD1 ILE 20 3HD1 ILE 20 7.282 -1.075 -9.318 180 H PHE 21 H PHE 21 5.856 -2.657 -10.532 181 HA PHE 21 HA PHE 21 8.508 -3.716 -11.298 182 1HB PHE 21 2HB PHE 21 7.679 -2.800 -8.544 183 2HB PHE 21 1HB PHE 21 8.911 -4.041 -8.745 184 HD1 PHE 21 HD1 PHE 21 9.044 -1.063 -7.650 185 HD2 PHE 21 HD2 PHE 21 10.152 -2.929 -11.357 186 HE1 PHE 21 HE1 PHE 21 10.718 0.718 -8.052 187 HE2 PHE 21 HE2 PHE 21 11.812 -1.141 -11.758 188 HZ PHE 21 HZ PHE 21 12.089 0.689 -10.108 189 H GLN 22 H GLN 22 8.739 -6.014 -10.525 190 HA GLN 22 HA GLN 22 6.039 -7.289 -10.409 191 1HB GLN 22 2HB GLN 22 7.215 -9.208 -11.391 192 2HB GLN 22 1HB GLN 22 7.554 -7.747 -12.319 193 1HG GLN 22 2HG GLN 22 9.508 -7.819 -10.292 194 2HG GLN 22 1HG GLN 22 9.401 -9.469 -10.905 195 1HE2 GLN 22 1HE2 GLN 22 10.315 -6.172 -11.734 196 2HE2 GLN 22 2HE2 GLN 22 10.960 -6.538 -13.261 197 H ILE 23 H ILE 23 5.541 -8.796 -8.838 198 HA ILE 23 HA ILE 23 7.119 -8.801 -6.355 199 HB ILE 23 HB ILE 23 4.456 -9.534 -7.399 200 1HG1 ILE 23 2HG1 ILE 23 5.168 -7.503 -5.993 201 2HG1 ILE 23 1HG1 ILE 23 3.673 -8.319 -5.545 202 1HG2 ILE 23 1HG2 ILE 23 5.226 -11.747 -6.465 203 2HG2 ILE 23 2HG2 ILE 23 3.829 -11.078 -5.631 204 3HG2 ILE 23 3HG2 ILE 23 5.430 -10.963 -4.903 205 1HD1 ILE 23 1HD1 ILE 23 4.707 -9.418 -3.707 206 2HD1 ILE 23 2HD1 ILE 23 5.270 -7.748 -3.627 207 3HD1 ILE 23 3HD1 ILE 23 6.326 -9.008 -4.269 208 H GLY 24 H GLY 24 8.276 -10.640 -5.582 209 1HA GLY 24 2HA GLY 24 9.126 -12.577 -7.587 210 2HA GLY 24 1HA GLY 24 9.625 -12.555 -5.893 211 H LYS 25 H LYS 25 8.787 -14.896 -7.423 212 HA LYS 25 HA LYS 25 6.074 -15.575 -6.634 213 1HB LYS 25 2HB LYS 25 7.095 -16.528 -8.616 214 2HB LYS 25 1HB LYS 25 8.440 -17.164 -7.669 215 1HG LYS 25 2HG LYS 25 7.030 -18.746 -6.555 216 2HG LYS 25 1HG LYS 25 5.568 -17.966 -7.157 217 1HD LYS 25 2HD LYS 25 5.613 -19.269 -8.987 218 2HD LYS 25 1HD LYS 25 7.206 -18.639 -9.404 219 1HE LYS 25 2HE LYS 25 7.809 -20.849 -9.119 220 2HE LYS 25 1HE LYS 25 7.887 -20.368 -7.413 221 1HZ LYS 25 1HZ LYS 25 6.435 -22.185 -7.436 222 2HZ LYS 25 2HZ LYS 25 5.654 -21.670 -8.853 223 3HZ LYS 25 3HZ LYS 25 5.404 -20.840 -7.391 224 H GLY 26 H GLY 26 5.502 -16.107 -4.601 225 1HA GLY 26 2HA GLY 26 6.158 -18.032 -2.917 226 2HA GLY 26 1HA GLY 26 7.592 -17.024 -2.701 227 H GLY 27 H GLY 27 6.357 -14.471 -2.898 228 1HA GLY 27 2HA GLY 27 4.064 -13.929 -1.468 229 2HA GLY 27 1HA GLY 27 5.260 -14.258 -0.208 230 H ILE 28 H ILE 28 4.092 -11.674 -0.584 231 HA ILE 28 HA ILE 28 5.721 -9.958 -2.192 232 HB ILE 28 HB ILE 28 3.997 -9.596 0.274 233 1HG1 ILE 28 2HG1 ILE 28 3.526 -8.536 -2.500 234 2HG1 ILE 28 1HG1 ILE 28 3.140 -10.213 -2.106 235 1HG2 ILE 28 1HG2 ILE 28 4.079 -7.106 -0.539 236 2HG2 ILE 28 2HG2 ILE 28 5.620 -7.575 -1.258 237 3HG2 ILE 28 3HG2 ILE 28 5.381 -7.713 0.484 238 1HD1 ILE 28 1HD1 ILE 28 2.176 -7.905 -0.428 239 2HD1 ILE 28 2HD1 ILE 28 1.581 -9.564 -0.439 240 3HD1 ILE 28 3HD1 ILE 28 1.263 -8.502 -1.811 241 H ASN 29 H ASN 29 7.891 -9.690 -1.897 242 HA ASN 29 HA ASN 29 9.084 -10.039 0.817 243 1HB ASN 29 2HB ASN 29 9.732 -10.789 -1.815 244 2HB ASN 29 1HB ASN 29 10.892 -9.524 -1.405 245 1HD2 ASN 29 1HD2 ASN 29 11.706 -9.853 1.076 246 2HD2 ASN 29 2HD2 ASN 29 12.189 -11.440 1.436 247 H GLU 30 H GLU 30 10.013 -8.256 1.905 248 HA GLU 30 HA GLU 30 9.335 -5.597 1.211 249 1HB GLU 30 2HB GLU 30 10.077 -6.258 3.446 250 2HB GLU 30 1HB GLU 30 11.677 -6.668 2.818 251 1HG GLU 30 2HG GLU 30 12.132 -4.364 2.242 252 2HG GLU 30 1HG GLU 30 10.466 -3.894 2.584 253 H ASN 31 H ASN 31 12.390 -7.377 0.573 254 HA ASN 31 HA ASN 31 13.888 -5.347 -0.664 255 1HB ASN 31 2HB ASN 31 13.584 -8.252 -1.510 256 2HB ASN 31 1HB ASN 31 14.981 -7.223 -1.831 257 1HD2 ASN 31 1HD2 ASN 31 15.939 -9.230 -0.515 258 2HD2 ASN 31 2HD2 ASN 31 16.043 -9.005 1.164 259 H MET 32 H MET 32 11.433 -7.484 -2.107 260 HA MET 32 HA MET 32 11.509 -6.366 -4.747 261 1HB MET 32 2HB MET 32 10.448 -8.526 -3.718 262 2HB MET 32 1HB MET 32 9.073 -7.489 -3.373 263 1HG MET 32 2HG MET 32 10.314 -7.824 -6.120 264 2HG MET 32 1HG MET 32 8.886 -8.693 -5.568 265 1HE MET 32 1HE MET 32 6.267 -6.264 -4.902 266 2HE MET 32 2HE MET 32 7.536 -5.654 -3.844 267 3HE MET 32 3HE MET 32 7.344 -7.387 -4.068 268 H ILE 33 H ILE 33 9.795 -5.496 -1.747 269 HA ILE 33 HA ILE 33 8.194 -3.416 -3.035 270 HB ILE 33 HB ILE 33 8.824 -4.046 -0.136 271 1HG1 ILE 33 2HG1 ILE 33 6.404 -4.595 -1.889 272 2HG1 ILE 33 1HG1 ILE 33 7.561 -5.800 -1.325 273 1HG2 ILE 33 1HG2 ILE 33 8.163 -1.784 -0.089 274 2HG2 ILE 33 2HG2 ILE 33 6.623 -2.620 0.105 275 3HG2 ILE 33 3HG2 ILE 33 7.081 -1.972 -1.470 276 1HD1 ILE 33 1HD1 ILE 33 5.240 -4.847 0.018 277 2HD1 ILE 33 2HD1 ILE 33 6.644 -4.294 0.932 278 3HD1 ILE 33 3HD1 ILE 33 6.428 -6.013 0.601 279 H LYS 34 H LYS 34 11.375 -3.635 -1.538 280 HA LYS 34 HA LYS 34 11.830 -0.938 -0.832 281 1HB LYS 34 2HB LYS 34 13.588 -3.096 -2.034 282 2HB LYS 34 1HB LYS 34 14.236 -1.543 -1.521 283 1HG LYS 34 2HG LYS 34 12.891 -2.108 0.704 284 2HG LYS 34 1HG LYS 34 13.113 -3.764 0.137 285 1HD LYS 34 2HD LYS 34 15.610 -2.916 -0.247 286 2HD LYS 34 1HD LYS 34 15.159 -1.768 1.013 287 1HE LYS 34 2HE LYS 34 14.548 -3.592 2.521 288 2HE LYS 34 1HE LYS 34 14.868 -4.785 1.247 289 1HZ LYS 34 1HZ LYS 34 17.138 -3.680 1.088 290 2HZ LYS 34 2HZ LYS 34 16.860 -4.670 2.440 291 3HZ LYS 34 3HZ LYS 34 16.788 -2.979 2.592 292 H GLN 35 H GLN 35 11.828 -2.621 -3.916 293 HA GLN 35 HA GLN 35 12.686 -0.364 -5.555 294 1HB GLN 35 2HB GLN 35 11.972 -3.162 -5.781 295 2HB GLN 35 1HB GLN 35 11.131 -2.236 -7.022 296 1HG GLN 35 2HG GLN 35 13.136 -1.437 -7.965 297 2HG GLN 35 1HG GLN 35 14.070 -1.818 -6.516 298 1HE2 GLN 35 1HE2 GLN 35 11.715 -4.115 -7.851 299 2HE2 GLN 35 2HE2 GLN 35 12.863 -5.245 -8.384 300 H ILE 36 H ILE 36 9.540 -2.028 -5.082 301 HA ILE 36 HA ILE 36 7.838 -0.233 -6.448 302 HB ILE 36 HB ILE 36 7.453 -1.873 -3.927 303 1HG1 ILE 36 2HG1 ILE 36 6.871 -2.396 -6.854 304 2HG1 ILE 36 1HG1 ILE 36 8.163 -3.139 -5.912 305 1HG2 ILE 36 1HG2 ILE 36 5.120 -1.402 -5.636 306 2HG2 ILE 36 2HG2 ILE 36 5.737 0.082 -4.914 307 3HG2 ILE 36 3HG2 ILE 36 5.268 -1.268 -3.884 308 1HD1 ILE 36 1HD1 ILE 36 6.305 -4.689 -6.016 309 2HD1 ILE 36 2HD1 ILE 36 5.183 -3.445 -5.466 310 3HD1 ILE 36 3HD1 ILE 36 6.417 -4.067 -4.370 311 H ASP 37 H ASP 37 9.453 0.036 -3.356 312 HA ASP 37 HA ASP 37 7.881 2.060 -2.120 313 1HB ASP 37 2HB ASP 37 9.684 0.573 -1.145 314 2HB ASP 37 1HB ASP 37 10.871 1.616 -1.930 315 H ASP 38 H ASP 38 10.999 2.396 -3.869 316 HA ASP 38 HA ASP 38 11.092 5.224 -3.951 317 1HB ASP 38 2HB ASP 38 12.789 3.355 -4.597 318 2HB ASP 38 1HB ASP 38 12.032 3.428 -6.188 319 H THR 39 H THR 39 9.418 2.921 -6.038 320 HA THR 39 HA THR 39 8.607 4.928 -8.008 321 HB THR 39 HB THR 39 7.029 2.520 -8.022 322 HG1 THR 39 HG1 THR 39 8.533 1.458 -6.879 323 1HG2 THR 39 1HG2 THR 39 8.797 2.238 -10.042 324 2HG2 THR 39 2HG2 THR 39 9.004 3.957 -9.706 325 3HG2 THR 39 3HG2 THR 39 7.412 3.326 -10.128 326 H LEU 40 H LEU 40 6.807 2.980 -5.553 327 HA LEU 40 HA LEU 40 4.359 4.440 -5.883 328 1HB LEU 40 2HB LEU 40 3.679 3.281 -3.884 329 2HB LEU 40 1HB LEU 40 4.737 2.183 -4.763 330 HG LEU 40 HG LEU 40 6.623 3.246 -3.279 331 1HD1 LEU 40 1HD1 LEU 40 5.684 4.931 -2.022 332 2HD1 LEU 40 2HD1 LEU 40 5.322 3.587 -0.941 333 3HD1 LEU 40 3HD1 LEU 40 4.083 4.192 -2.041 334 1HD2 LEU 40 1HD2 LEU 40 5.972 0.906 -3.140 335 2HD2 LEU 40 2HD2 LEU 40 4.508 1.328 -2.251 336 3HD2 LEU 40 3HD2 LEU 40 6.090 1.547 -1.501 337 H GLU 41 H GLU 41 7.315 5.045 -4.106 338 HA GLU 41 HA GLU 41 6.382 7.122 -2.355 339 1HB GLU 41 2HB GLU 41 8.564 6.019 -2.137 340 2HB GLU 41 1HB GLU 41 9.046 6.603 -3.730 341 1HG GLU 41 2HG GLU 41 9.940 8.370 -2.635 342 2HG GLU 41 1HG GLU 41 8.276 8.923 -2.433 343 H ASN 42 H ASN 42 7.421 7.008 -5.734 344 HA ASN 42 HA ASN 42 7.444 9.841 -6.252 345 1HB ASN 42 2HB ASN 42 8.002 7.464 -7.582 346 2HB ASN 42 1HB ASN 42 6.584 8.074 -8.438 347 1HD2 ASN 42 1HD2 ASN 42 9.641 8.027 -9.098 348 2HD2 ASN 42 2HD2 ASN 42 9.952 9.622 -9.588 349 H ARG 43 H ARG 43 4.944 7.487 -5.796 350 HA ARG 43 HA ARG 43 2.634 7.799 -5.473 351 1HB ARG 43 2HB ARG 43 2.940 10.609 -6.547 352 2HB ARG 43 1HB ARG 43 1.720 9.992 -5.437 353 1HG ARG 43 2HG ARG 43 4.234 9.459 -4.235 354 2HG ARG 43 1HG ARG 43 4.294 11.124 -4.814 355 1HD ARG 43 2HD ARG 43 1.813 11.121 -3.727 356 2HD ARG 43 1HD ARG 43 2.610 9.930 -2.678 357 HE ARG 43 HE ARG 43 3.258 12.773 -2.816 358 1HH1 ARG 43 1HH2 ARG 43 5.856 11.535 -3.468 359 2HH1 ARG 43 2HH2 ARG 43 6.526 11.192 -1.908 360 1HH2 ARG 43 1HH1 ARG 43 3.499 11.496 -0.246 361 2HH2 ARG 43 2HH1 ARG 43 5.192 11.171 -0.085 362 H GLU 44 H GLU 44 0.935 9.392 -7.219 363 HA GLU 44 HA GLU 44 -0.077 9.349 -9.342 364 1HB GLU 44 2HB GLU 44 2.415 7.902 -10.288 365 2HB GLU 44 1HB GLU 44 1.278 8.821 -11.260 366 1HG GLU 44 2HG GLU 44 2.302 10.773 -10.798 367 2HG GLU 44 1HG GLU 44 2.343 10.429 -9.072 368 H LEU 45 H LEU 45 0.387 7.017 -11.211 369 HA LEU 45 HA LEU 45 -1.276 5.033 -9.707 370 1HB LEU 45 2HB LEU 45 -2.239 6.145 -11.663 371 2HB LEU 45 1HB LEU 45 -0.861 5.660 -12.645 372 HG LEU 45 HG LEU 45 -1.473 3.317 -12.452 373 1HD1 LEU 45 1HD1 LEU 45 -3.982 3.272 -11.260 374 2HD1 LEU 45 2HD1 LEU 45 -3.046 4.329 -10.203 375 3HD1 LEU 45 3HD1 LEU 45 -2.486 2.689 -10.531 376 1HD2 LEU 45 1HD2 LEU 45 -2.794 5.098 -13.930 377 2HD2 LEU 45 2HD2 LEU 45 -4.134 4.610 -12.893 378 3HD2 LEU 45 3HD2 LEU 45 -3.297 3.410 -13.874 379 H ILE 46 H ILE 46 -0.190 3.192 -9.091 380 HA ILE 46 HA ILE 46 2.149 2.319 -10.753 381 HB ILE 46 HB ILE 46 2.556 0.984 -8.466 382 1HG1 ILE 46 2HG1 ILE 46 1.253 3.526 -7.459 383 2HG1 ILE 46 1HG1 ILE 46 0.416 1.975 -7.493 384 1HG2 ILE 46 1HG2 ILE 46 3.317 3.708 -9.382 385 2HG2 ILE 46 2HG2 ILE 46 4.328 2.301 -9.055 386 3HG2 ILE 46 3HG2 ILE 46 3.724 3.282 -7.720 387 1HD1 ILE 46 1HD1 ILE 46 1.661 1.108 -5.783 388 2HD1 ILE 46 2HD1 ILE 46 1.883 2.810 -5.376 389 3HD1 ILE 46 3HD1 ILE 46 3.126 1.952 -6.288 390 H LYS 47 H LYS 47 2.036 0.396 -11.705 391 HA LYS 47 HA LYS 47 -0.280 -1.425 -11.139 392 1HB LYS 47 2HB LYS 47 1.587 -1.036 -13.524 393 2HB LYS 47 1HB LYS 47 0.316 -2.244 -13.455 394 1HG LYS 47 2HG LYS 47 -0.621 -0.411 -14.648 395 2HG LYS 47 1HG LYS 47 -1.316 -0.333 -13.037 396 1HD LYS 47 2HD LYS 47 -0.543 1.877 -13.997 397 2HD LYS 47 1HD LYS 47 0.115 1.498 -12.420 398 1HE LYS 47 2HE LYS 47 2.215 0.709 -13.498 399 2HE LYS 47 1HE LYS 47 1.530 1.096 -15.079 400 1HZ LYS 47 1HZ LYS 47 2.464 3.097 -14.666 401 2HZ LYS 47 2HZ LYS 47 2.486 2.872 -12.983 402 3HZ LYS 47 3HZ LYS 47 1.058 3.367 -13.755 403 H VAL 48 H VAL 48 0.369 -3.422 -10.108 404 HA VAL 48 HA VAL 48 3.271 -4.072 -10.292 405 HB VAL 48 HB VAL 48 1.256 -4.224 -8.034 406 1HG1 VAL 48 1HG1 VAL 48 2.886 -6.101 -8.051 407 2HG1 VAL 48 2HG1 VAL 48 3.045 -5.037 -6.652 408 3HG1 VAL 48 3HG1 VAL 48 4.189 -4.914 -7.990 409 1HG2 VAL 48 1HG2 VAL 48 3.027 -2.620 -7.030 410 2HG2 VAL 48 2HG2 VAL 48 1.948 -1.977 -8.267 411 3HG2 VAL 48 3HG2 VAL 48 3.598 -2.436 -8.688 412 H HIS 49 H HIS 49 3.709 -6.141 -10.998 413 HA HIS 49 HA HIS 49 1.458 -8.021 -11.452 414 1HB HIS 49 2HB HIS 49 3.349 -7.394 -13.079 415 2HB HIS 49 1HB HIS 49 4.403 -8.377 -12.061 416 HD1 HIS 49 HD1 HIS 49 2.968 -10.848 -11.473 417 HD2 HIS 49 HD2 HIS 49 2.474 -8.966 -15.160 418 HE1 HIS 49 HE1 HIS 49 2.109 -12.616 -13.071 419 H VAL 50 H VAL 50 1.123 -9.845 -10.205 420 HA VAL 50 HA VAL 50 3.019 -10.364 -7.955 421 HB VAL 50 HB VAL 50 0.090 -10.901 -8.472 422 1HG1 VAL 50 1HG1 VAL 50 1.952 -12.187 -6.512 423 2HG1 VAL 50 2HG1 VAL 50 0.537 -12.863 -7.319 424 3HG1 VAL 50 3HG1 VAL 50 0.334 -11.759 -5.958 425 1HG2 VAL 50 1HG2 VAL 50 1.727 -9.173 -6.655 426 2HG2 VAL 50 2HG2 VAL 50 0.124 -9.696 -6.137 427 3HG2 VAL 50 3HG2 VAL 50 0.312 -8.759 -7.622 428 H LEU 51 H LEU 51 4.310 -12.044 -8.056 429 HA LEU 51 HA LEU 51 4.181 -13.922 -10.220 430 1HB LEU 51 2HB LEU 51 5.884 -13.150 -7.986 431 2HB LEU 51 1HB LEU 51 6.005 -14.845 -8.423 432 HG LEU 51 HG LEU 51 7.631 -13.365 -9.655 433 1HD1 LEU 51 1HD1 LEU 51 7.500 -15.185 -10.985 434 2HD1 LEU 51 2HD1 LEU 51 6.415 -14.231 -11.996 435 3HD1 LEU 51 3HD1 LEU 51 5.755 -15.312 -10.768 436 1HD2 LEU 51 1HD2 LEU 51 5.538 -11.643 -9.914 437 2HD2 LEU 51 2HD2 LEU 51 5.466 -12.460 -11.474 438 3HD2 LEU 51 3HD2 LEU 51 6.941 -11.629 -10.982 439 H GLN 52 H GLN 52 2.173 -13.900 -7.710 440 HA GLN 52 HA GLN 52 2.423 -16.699 -6.834 441 1HB GLN 52 2HB GLN 52 1.438 -14.344 -5.766 442 2HB GLN 52 1HB GLN 52 -0.036 -15.208 -6.208 443 1HG GLN 52 2HG GLN 52 1.590 -17.172 -5.068 444 2HG GLN 52 1HG GLN 52 1.842 -15.755 -4.047 445 1HE2 GLN 52 1HE2 GLN 52 0.052 -18.414 -3.954 446 2HE2 GLN 52 2HE2 GLN 52 -1.420 -17.815 -3.358 447 H ASN 53 H ASN 53 0.605 -14.815 -9.160 448 HA ASN 53 HA ASN 53 -0.970 -15.460 -10.795 449 1HB ASN 53 2HB ASN 53 1.133 -17.179 -10.789 450 2HB ASN 53 1HB ASN 53 -0.187 -18.308 -10.477 451 1HD2 ASN 53 1HD2 ASN 53 0.518 -19.037 -12.790 452 2HD2 ASN 53 2HD2 ASN 53 -0.235 -18.256 -14.094 453 H ASN 54 H ASN 54 -1.954 -15.385 -8.071 454 HA ASN 54 HA ASN 54 -3.908 -17.665 -8.121 455 1HB ASN 54 2HB ASN 54 -2.062 -16.927 -6.197 456 2HB ASN 54 1HB ASN 54 -3.548 -16.178 -5.619 457 1HD2 ASN 54 1HD2 ASN 54 -5.539 -17.746 -5.649 458 2HD2 ASN 54 2HD2 ASN 54 -5.240 -19.356 -5.202 459 H PHE 55 H PHE 55 -6.118 -17.113 -7.562 460 HA PHE 55 HA PHE 55 -6.949 -14.491 -8.512 461 1HB PHE 55 2HB PHE 55 -8.110 -17.096 -7.757 462 2HB PHE 55 1HB PHE 55 -9.173 -15.714 -7.486 463 HD1 PHE 55 HD1 PHE 55 -10.138 -14.507 -9.307 464 HD2 PHE 55 HD2 PHE 55 -7.124 -17.478 -10.038 465 HE1 PHE 55 HE1 PHE 55 -10.604 -14.381 -11.740 466 HE2 PHE 55 HE2 PHE 55 -7.591 -17.354 -12.471 467 HZ PHE 55 HZ PHE 55 -9.331 -15.806 -13.321 468 H ASP 56 H ASP 56 -8.387 -15.940 -5.616 469 HA ASP 56 HA ASP 56 -8.563 -13.373 -4.327 470 1HB ASP 56 2HB ASP 56 -10.210 -15.167 -4.051 471 2HB ASP 56 1HB ASP 56 -8.976 -16.190 -3.314 472 H ASP 57 H ASP 57 -6.000 -15.488 -4.573 473 HA ASP 57 HA ASP 57 -4.853 -14.876 -1.916 474 1HB ASP 57 2HB ASP 57 -4.606 -16.909 -3.892 475 2HB ASP 57 1HB ASP 57 -3.028 -16.133 -3.754 476 H LYS 58 H LYS 58 -4.234 -14.164 -5.367 477 HA LYS 58 HA LYS 58 -1.911 -12.526 -4.967 478 1HB LYS 58 2HB LYS 58 -2.699 -13.481 -7.130 479 2HB LYS 58 1HB LYS 58 -4.095 -12.402 -7.079 480 1HG LYS 58 2HG LYS 58 -1.389 -11.176 -6.783 481 2HG LYS 58 1HG LYS 58 -1.866 -11.731 -8.387 482 1HD LYS 58 2HD LYS 58 -4.008 -10.270 -7.036 483 2HD LYS 58 1HD LYS 58 -2.555 -9.292 -7.248 484 1HE LYS 58 2HE LYS 58 -3.547 -8.928 -9.317 485 2HE LYS 58 1HE LYS 58 -2.661 -10.417 -9.701 486 1HZ LYS 58 1HZ LYS 58 -4.538 -11.727 -9.287 487 2HZ LYS 58 2HZ LYS 58 -5.147 -10.412 -10.174 488 3HZ LYS 58 3HZ LYS 58 -5.361 -10.476 -8.491 489 H LYS 59 H LYS 59 -5.395 -11.869 -4.893 490 HA LYS 59 HA LYS 59 -5.246 -9.005 -4.713 491 1HB LYS 59 2HB LYS 59 -7.279 -10.282 -5.266 492 2HB LYS 59 1HB LYS 59 -7.262 -11.027 -3.668 493 1HG LYS 59 2HG LYS 59 -7.110 -8.283 -3.152 494 2HG LYS 59 1HG LYS 59 -8.277 -8.418 -4.468 495 1HD LYS 59 2HD LYS 59 -9.779 -8.932 -2.853 496 2HD LYS 59 1HD LYS 59 -8.994 -10.512 -2.817 497 1HE LYS 59 2HE LYS 59 -7.430 -8.663 -1.256 498 2HE LYS 59 1HE LYS 59 -9.117 -8.622 -0.705 499 1HZ LYS 59 1HZ LYS 59 -9.028 -11.133 -0.902 500 2HZ LYS 59 2HZ LYS 59 -8.175 -10.449 0.397 501 3HZ LYS 59 3HZ LYS 59 -7.342 -10.975 -0.987 502 H GLU 60 H GLU 60 -5.451 -11.572 -2.216 503 HA GLU 60 HA GLU 60 -5.407 -9.920 0.095 504 1HB GLU 60 2HB GLU 60 -5.363 -12.620 -0.538 505 2HB GLU 60 1HB GLU 60 -3.786 -12.379 0.215 506 1HG GLU 60 2HG GLU 60 -5.169 -11.052 2.019 507 2HG GLU 60 1HG GLU 60 -6.521 -11.997 1.392 508 H LEU 61 H LEU 61 -2.768 -11.092 -1.988 509 HA LEU 61 HA LEU 61 -0.542 -10.256 -0.447 510 1HB LEU 61 2HB LEU 61 -1.203 -10.947 -3.216 511 2HB LEU 61 1HB LEU 61 0.096 -9.755 -3.118 512 HG LEU 61 HG LEU 61 0.995 -11.382 -1.225 513 1HD1 LEU 61 1HD1 LEU 61 -0.314 -13.401 -3.034 514 2HD1 LEU 61 2HD1 LEU 61 -1.172 -12.788 -1.620 515 3HD1 LEU 61 3HD1 LEU 61 0.363 -13.633 -1.422 516 1HD2 LEU 61 1HD2 LEU 61 1.751 -10.824 -3.766 517 2HD2 LEU 61 2HD2 LEU 61 1.380 -12.540 -3.939 518 3HD2 LEU 61 3HD2 LEU 61 2.582 -12.012 -2.762 519 H ALA 62 H ALA 62 -2.521 -8.407 -2.812 520 HA ALA 62 HA ALA 62 -1.106 -5.951 -2.646 521 1HB ALA 62 1HB ALA 62 -3.180 -6.771 -4.059 522 2HB ALA 62 2HB ALA 62 -2.979 -5.057 -3.696 523 3HB ALA 62 3HB ALA 62 -4.098 -6.034 -2.746 524 H GLU 63 H GLU 63 -3.606 -7.363 -0.545 525 HA GLU 63 HA GLU 63 -4.155 -5.207 1.151 526 1HB GLU 63 2HB GLU 63 -4.611 -7.945 1.039 527 2HB GLU 63 1HB GLU 63 -3.725 -7.736 2.549 528 1HG GLU 63 2HG GLU 63 -6.060 -7.500 3.064 529 2HG GLU 63 1HG GLU 63 -5.353 -5.884 3.126 530 H THR 64 H THR 64 -1.400 -7.227 0.936 531 HA THR 64 HA THR 64 -0.051 -6.141 3.316 532 HB THR 64 HB THR 64 0.918 -7.900 1.036 533 HG1 THR 64 HG1 THR 64 0.394 -9.580 2.403 534 1HG2 THR 64 1HG2 THR 64 2.152 -6.844 3.502 535 2HG2 THR 64 2HG2 THR 64 2.912 -7.422 2.019 536 3HG2 THR 64 3HG2 THR 64 2.370 -8.574 3.239 537 H LEU 65 H LEU 65 -0.001 -5.712 -0.210 538 HA LEU 65 HA LEU 65 2.335 -3.945 -0.170 539 1HB LEU 65 2HB LEU 65 0.236 -4.708 -2.204 540 2HB LEU 65 1HB LEU 65 1.546 -3.590 -2.569 541 HG LEU 65 HG LEU 65 2.285 -6.178 -1.292 542 1HD1 LEU 65 1HD1 LEU 65 2.363 -7.193 -3.618 543 2HD1 LEU 65 2HD1 LEU 65 1.337 -5.860 -4.146 544 3HD1 LEU 65 3HD1 LEU 65 0.747 -7.001 -2.939 545 1HD2 LEU 65 1HD2 LEU 65 4.247 -5.153 -1.800 546 2HD2 LEU 65 2HD2 LEU 65 3.463 -4.028 -2.910 547 3HD2 LEU 65 3HD2 LEU 65 3.918 -5.640 -3.463 548 H SER 66 H SER 66 -1.176 -3.486 -0.822 549 HA SER 66 HA SER 66 -1.225 -0.678 -1.041 550 1HB SER 66 2HB SER 66 -3.544 -0.945 -0.646 551 2HB SER 66 1HB SER 66 -3.049 -2.527 -1.241 552 HG SER 66 HG SER 66 -4.208 -2.870 0.612 553 H GLU 67 H GLU 67 -1.218 -2.696 1.908 554 HA GLU 67 HA GLU 67 -1.503 -0.448 3.733 555 1HB GLU 67 2HB GLU 67 -0.644 -3.342 3.983 556 2HB GLU 67 1HB GLU 67 -0.822 -2.274 5.375 557 1HG GLU 67 2HG GLU 67 -3.082 -2.437 3.422 558 2HG GLU 67 1HG GLU 67 -2.850 -3.778 4.546 559 H ALA 68 H ALA 68 1.234 -2.175 2.296 560 HA ALA 68 HA ALA 68 3.174 -0.753 4.026 561 1HB ALA 68 1HB ALA 68 3.782 -2.978 3.648 562 2HB ALA 68 2HB ALA 68 4.713 -2.153 2.398 563 3HB ALA 68 3HB ALA 68 3.198 -2.956 1.984 564 H THR 69 H THR 69 1.632 -0.292 0.985 565 HA THR 69 HA THR 69 3.836 1.361 -0.117 566 HB THR 69 HB THR 69 2.199 1.466 -2.056 567 HG1 THR 69 HG1 THR 69 0.419 0.051 -1.876 568 1HG2 THR 69 1HG2 THR 69 3.694 -0.760 -1.031 569 2HG2 THR 69 2HG2 THR 69 3.372 -0.334 -2.711 570 3HG2 THR 69 3HG2 THR 69 2.244 -1.364 -1.831 571 H ARG 70 H ARG 70 1.302 1.852 2.036 572 HA ARG 70 HA ARG 70 0.176 3.801 2.763 573 1HB ARG 70 2HB ARG 70 2.728 4.357 2.646 574 2HB ARG 70 1HB ARG 70 2.292 5.301 1.222 575 1HG ARG 70 2HG ARG 70 1.204 6.891 2.445 576 2HG ARG 70 1HG ARG 70 0.569 5.713 3.596 577 1HD ARG 70 2HD ARG 70 2.979 5.503 4.478 578 2HD ARG 70 1HD ARG 70 3.316 6.982 3.556 579 HE ARG 70 HE ARG 70 1.155 6.822 5.626 580 1HH1 ARG 70 1HH1 ARG 70 2.166 8.952 3.357 581 2HH1 ARG 70 2HH1 ARG 70 2.642 10.216 4.441 582 1HH2 ARG 70 1HH2 ARG 70 2.407 8.236 7.277 583 2HH2 ARG 70 2HH2 ARG 70 2.779 9.810 6.660 584 H SER 71 H SER 71 -0.701 2.618 0.267 585 HA SER 71 HA SER 71 -1.727 5.075 -1.108 586 1HB SER 71 2HB SER 71 -1.551 3.363 -3.150 587 2HB SER 71 1HB SER 71 -0.183 4.351 -2.657 588 HG SER 71 HG SER 71 0.574 2.292 -2.729 589 H GLU 72 H GLU 72 -3.477 3.948 -2.866 590 HA GLU 72 HA GLU 72 -5.221 2.180 -1.188 591 1HB GLU 72 2HB GLU 72 -6.067 4.552 -2.890 592 2HB GLU 72 1HB GLU 72 -7.106 3.601 -1.827 593 1HG GLU 72 2HG GLU 72 -6.599 5.098 -0.207 594 2HG GLU 72 1HG GLU 72 -5.001 4.359 -0.172 595 H LEU 73 H LEU 73 -5.435 0.280 -2.297 596 HA LEU 73 HA LEU 73 -4.886 -0.193 -5.021 597 1HB LEU 73 2HB LEU 73 -5.766 -1.533 -2.676 598 2HB LEU 73 1HB LEU 73 -6.920 -1.941 -3.937 599 HG LEU 73 HG LEU 73 -3.956 -2.396 -3.879 600 1HD1 LEU 73 1HD1 LEU 73 -5.314 -4.175 -2.938 601 2HD1 LEU 73 2HD1 LEU 73 -4.831 -4.713 -4.548 602 3HD1 LEU 73 3HD1 LEU 73 -6.456 -4.082 -4.278 603 1HD2 LEU 73 1HD2 LEU 73 -5.689 -1.878 -6.201 604 2HD2 LEU 73 2HD2 LEU 73 -4.884 -3.444 -6.292 605 3HD2 LEU 73 3HD2 LEU 73 -3.933 -1.974 -6.125 606 H VAL 74 H VAL 74 -6.095 0.988 -6.648 607 HA VAL 74 HA VAL 74 -8.962 1.431 -6.358 608 HB VAL 74 HB VAL 74 -8.829 2.073 -8.729 609 1HG1 VAL 74 1HG1 VAL 74 -7.945 3.924 -7.793 610 2HG1 VAL 74 2HG1 VAL 74 -6.415 3.341 -8.441 611 3HG1 VAL 74 3HG1 VAL 74 -6.853 2.997 -6.767 612 1HG2 VAL 74 1HG2 VAL 74 -6.642 1.782 -9.913 613 2HG2 VAL 74 2HG2 VAL 74 -7.494 0.272 -9.587 614 3HG2 VAL 74 3HG2 VAL 74 -6.128 0.749 -8.581 615 H GLN 75 H GLN 75 -6.823 -0.975 -7.895 616 HA GLN 75 HA GLN 75 -8.468 -3.163 -7.361 617 1HB GLN 75 2HB GLN 75 -9.489 -1.526 -9.428 618 2HB GLN 75 1HB GLN 75 -8.914 -3.008 -10.190 619 1HG GLN 75 2HG GLN 75 -10.182 -4.073 -8.058 620 2HG GLN 75 1HG GLN 75 -11.145 -2.610 -8.266 621 1HE2 GLN 75 1HE2 GLN 75 -12.404 -5.045 -8.790 622 2HE2 GLN 75 2HE2 GLN 75 -12.636 -5.232 -10.460 623 H VAL 76 H VAL 76 -8.201 -4.943 -9.160 624 HA VAL 76 HA VAL 76 -5.250 -5.101 -9.576 625 HB VAL 76 HB VAL 76 -7.205 -6.529 -8.002 626 1HG1 VAL 76 1HG1 VAL 76 -6.545 -8.851 -8.542 627 2HG1 VAL 76 2HG1 VAL 76 -5.578 -8.274 -9.899 628 3HG1 VAL 76 3HG1 VAL 76 -7.333 -8.098 -9.929 629 1HG2 VAL 76 1HG2 VAL 76 -4.234 -7.049 -8.308 630 2HG2 VAL 76 2HG2 VAL 76 -5.242 -7.374 -6.898 631 3HG2 VAL 76 3HG2 VAL 76 -4.903 -5.710 -7.375 632 H ILE 77 H ILE 77 -4.631 -5.619 -11.663 633 HA ILE 77 HA ILE 77 -6.771 -6.247 -13.623 634 HB ILE 77 HB ILE 77 -4.015 -5.036 -13.621 635 1HG1 ILE 77 2HG1 ILE 77 -6.656 -4.189 -14.849 636 2HG1 ILE 77 1HG1 ILE 77 -6.065 -3.656 -13.275 637 1HG2 ILE 77 1HG2 ILE 77 -5.445 -6.317 -15.933 638 2HG2 ILE 77 2HG2 ILE 77 -3.741 -6.417 -15.492 639 3HG2 ILE 77 3HG2 ILE 77 -4.385 -4.932 -16.190 640 1HD1 ILE 77 1HD1 ILE 77 -4.551 -3.260 -15.869 641 2HD1 ILE 77 2HD1 ILE 77 -4.141 -2.593 -14.288 642 3HD1 ILE 77 3HD1 ILE 77 -5.585 -2.035 -15.135 643 H GLY 78 H GLY 78 -7.012 -8.513 -13.459 644 1HA GLY 78 2HA GLY 78 -6.437 -10.785 -13.623 645 2HA GLY 78 1HA GLY 78 -5.335 -10.227 -14.880 646 H SER 79 H SER 79 -3.134 -10.157 -14.431 647 HA SER 79 HA SER 79 -2.303 -11.359 -11.834 648 1HB SER 79 2HB SER 79 -1.432 -11.362 -14.638 649 2HB SER 79 1HB SER 79 -0.100 -11.187 -13.499 650 HG SER 79 HG SER 79 -1.852 -13.304 -13.919 651 H MET 80 H MET 80 -2.877 -8.321 -12.687 652 HA MET 80 HA MET 80 -0.351 -7.279 -11.458 653 1HB MET 80 2HB MET 80 -2.168 -6.243 -13.639 654 2HB MET 80 1HB MET 80 -1.015 -5.191 -12.815 655 1HG MET 80 2HG MET 80 0.593 -5.937 -14.202 656 2HG MET 80 1HG MET 80 0.411 -7.539 -13.489 657 1HE MET 80 1HE MET 80 -0.269 -6.003 -17.462 658 2HE MET 80 2HE MET 80 -0.020 -5.119 -15.958 659 3HE MET 80 3HE MET 80 -1.655 -5.358 -16.571 660 H ILE 81 H ILE 81 -0.632 -5.513 -9.947 661 HA ILE 81 HA ILE 81 -3.415 -5.287 -8.865 662 HB ILE 81 HB ILE 81 -0.657 -4.986 -7.618 663 1HG1 ILE 81 2HG1 ILE 81 -2.828 -6.965 -6.913 664 2HG1 ILE 81 1HG1 ILE 81 -1.648 -7.306 -8.178 665 1HG2 ILE 81 1HG2 ILE 81 -2.912 -5.137 -5.782 666 2HG2 ILE 81 2HG2 ILE 81 -3.035 -3.732 -6.839 667 3HG2 ILE 81 3HG2 ILE 81 -1.600 -3.960 -5.841 668 1HD1 ILE 81 1HD1 ILE 81 0.182 -7.114 -6.624 669 2HD1 ILE 81 2HD1 ILE 81 -1.020 -8.178 -5.891 670 3HD1 ILE 81 3HD1 ILE 81 -0.887 -6.502 -5.362 671 H VAL 82 H VAL 82 -4.293 -3.237 -8.838 672 HA VAL 82 HA VAL 82 -2.616 -1.023 -9.929 673 HB VAL 82 HB VAL 82 -5.653 -1.320 -9.647 674 1HG1 VAL 82 1HG1 VAL 82 -4.726 0.996 -9.867 675 2HG1 VAL 82 2HG1 VAL 82 -5.585 0.527 -11.335 676 3HG1 VAL 82 3HG1 VAL 82 -3.822 0.510 -11.288 677 1HG2 VAL 82 1HG2 VAL 82 -4.362 -3.032 -11.136 678 2HG2 VAL 82 2HG2 VAL 82 -3.940 -1.657 -12.157 679 3HG2 VAL 82 3HG2 VAL 82 -5.631 -2.096 -11.924 680 H ILE 83 H ILE 83 -1.771 0.219 -8.263 681 HA ILE 83 HA ILE 83 -3.705 0.982 -6.096 682 HB ILE 83 HB ILE 83 -0.678 0.701 -5.941 683 1HG1 ILE 83 2HG1 ILE 83 -2.723 -1.178 -4.737 684 2HG1 ILE 83 1HG1 ILE 83 -2.074 -1.449 -6.350 685 1HG2 ILE 83 1HG2 ILE 83 -0.899 1.722 -3.962 686 2HG2 ILE 83 2HG2 ILE 83 -1.985 0.441 -3.427 687 3HG2 ILE 83 3HG2 ILE 83 -2.637 1.880 -4.213 688 1HD1 ILE 83 1HD1 ILE 83 -0.918 -2.233 -3.914 689 2HD1 ILE 83 2HD1 ILE 83 0.065 -0.885 -4.486 690 3HD1 ILE 83 3HD1 ILE 83 -0.175 -2.301 -5.511 691 H TYR 84 H TYR 84 -3.780 3.153 -5.552 692 HA TYR 84 HA TYR 84 -2.143 4.989 -7.261 693 1HB TYR 84 2HB TYR 84 -4.332 5.320 -7.954 694 2HB TYR 84 1HB TYR 84 -5.007 4.864 -6.395 695 HD1 TYR 84 HD1 TYR 84 -3.005 7.573 -8.045 696 HD2 TYR 84 HD2 TYR 84 -5.735 6.520 -4.901 697 HE1 TYR 84 HE1 TYR 84 -3.215 9.965 -7.425 698 HE2 TYR 84 HE2 TYR 84 -5.947 8.909 -4.284 699 HH TYR 84 HH TYR 84 -4.596 11.447 -6.263 700 H ARG 85 H ARG 85 -0.526 5.817 -5.900 701 HA ARG 85 HA ARG 85 -1.068 6.134 -3.006 702 1HB ARG 85 2HB ARG 85 1.067 5.236 -3.773 703 2HB ARG 85 1HB ARG 85 1.319 6.636 -4.804 704 1HG ARG 85 2HG ARG 85 2.162 7.848 -3.100 705 2HG ARG 85 1HG ARG 85 0.800 7.436 -2.056 706 1HD ARG 85 2HD ARG 85 1.975 5.103 -1.855 707 2HD ARG 85 1HD ARG 85 3.416 5.983 -2.401 708 HE ARG 85 HE ARG 85 1.817 6.766 0.009 709 1HH1 ARG 85 1HH1 ARG 85 3.563 8.914 -1.047 710 2HH1 ARG 85 2HH1 ARG 85 5.049 8.652 -0.197 711 1HH2 ARG 85 1HH2 ARG 85 4.232 5.428 0.778 712 2HH2 ARG 85 2HH2 ARG 85 5.427 6.681 0.838 713 H GLU 86 H GLU 86 -2.148 7.935 -2.407 714 HA GLU 86 HA GLU 86 -3.137 10.129 -2.711 715 1HB GLU 86 2HB GLU 86 -1.593 11.525 -1.457 716 2HB GLU 86 1HB GLU 86 -1.493 9.869 -0.863 717 1HG GLU 86 2HG GLU 86 0.368 9.944 -2.934 718 2HG GLU 86 1HG GLU 86 0.567 11.499 -2.125 719 H SER 87 H SER 87 -1.268 12.462 -3.107 720 HA SER 87 HA SER 87 -0.960 12.338 -6.084 721 1HB SER 87 2HB SER 87 -1.779 14.882 -4.772 722 2HB SER 87 1HB SER 87 -2.235 14.233 -6.344 723 HG SER 87 HG SER 87 -3.419 12.600 -5.056 724 H LYS 88 H LYS 88 0.822 13.515 -6.900 725 HA LYS 88 HA LYS 88 2.400 15.227 -5.102 726 1HB LYS 88 2HB LYS 88 2.911 12.643 -4.843 727 2HB LYS 88 1HB LYS 88 3.791 12.871 -6.353 728 1HG LYS 88 2HG LYS 88 4.309 14.937 -4.314 729 2HG LYS 88 1HG LYS 88 4.858 13.320 -3.872 730 1HD LYS 88 2HD LYS 88 6.237 13.145 -5.800 731 2HD LYS 88 1HD LYS 88 5.464 14.531 -6.572 732 1HE LYS 88 2HE LYS 88 6.374 16.003 -4.762 733 2HE LYS 88 1HE LYS 88 7.243 14.600 -4.110 734 1HZ LYS 88 1HZ LYS 88 8.679 15.746 -5.637 735 2HZ LYS 88 2HZ LYS 88 7.489 15.725 -6.850 736 3HZ LYS 88 3HZ LYS 88 8.214 14.274 -6.341 737 H GLU 89 H GLU 89 2.902 13.266 -8.041 738 HA GLU 89 HA GLU 89 3.777 15.712 -9.493 739 1HB GLU 89 2HB GLU 89 4.614 13.048 -9.410 740 2HB GLU 89 1HB GLU 89 3.707 13.145 -10.920 741 1HG GLU 89 2HG GLU 89 5.651 15.331 -10.282 742 2HG GLU 89 1HG GLU 89 6.280 13.786 -10.851 743 H ASN 90 H ASN 90 2.231 16.739 -10.689 744 HA ASN 90 HA ASN 90 -0.477 15.910 -10.873 745 1HB ASN 90 2HB ASN 90 -0.636 17.784 -12.467 746 2HB ASN 90 1HB ASN 90 0.390 18.221 -11.102 747 1HD2 ASN 90 1HD2 ASN 90 0.565 19.447 -13.752 748 2HD2 ASN 90 2HD2 ASN 90 2.103 19.079 -14.370 749 H LYS 91 H LYS 91 -0.105 13.655 -11.581 750 HA LYS 91 HA LYS 91 0.480 13.258 -14.471 751 1HB LYS 91 2HB LYS 91 1.175 11.835 -12.308 752 2HB LYS 91 1HB LYS 91 -0.407 11.103 -12.582 753 1HG LYS 91 2HG LYS 91 0.738 11.233 -15.126 754 2HG LYS 91 1HG LYS 91 2.069 10.748 -14.075 755 1HD LYS 91 2HD LYS 91 1.151 8.715 -13.650 756 2HD LYS 91 1HD LYS 91 -0.477 9.379 -13.505 757 1HE LYS 91 2HE LYS 91 -0.951 9.048 -15.734 758 2HE LYS 91 1HE LYS 91 0.718 9.381 -16.240 759 1HZ LYS 91 1HZ LYS 91 0.120 6.999 -16.396 760 2HZ LYS 91 2HZ LYS 91 -0.124 6.975 -14.714 761 3HZ LYS 91 3HZ LYS 91 1.421 7.288 -15.348 762 H GLU 92 H GLU 92 -1.254 12.123 -15.783 763 HA GLU 92 HA GLU 92 -3.844 13.306 -15.382 764 1HB GLU 92 2HB GLU 92 -2.633 12.327 -17.485 765 2HB GLU 92 1HB GLU 92 -3.317 10.788 -16.960 766 1HG GLU 92 2HG GLU 92 -5.560 12.119 -16.808 767 2HG GLU 92 1HG GLU 92 -4.747 13.275 -17.864 768 H ILE 93 H ILE 93 -3.892 12.572 -13.030 769 HA ILE 93 HA ILE 93 -4.965 9.804 -12.691 770 HB ILE 93 HB ILE 93 -3.606 11.842 -10.892 771 1HG1 ILE 93 2HG1 ILE 93 -2.227 10.428 -12.459 772 2HG1 ILE 93 1HG1 ILE 93 -1.846 10.190 -10.756 773 1HG2 ILE 93 1HG2 ILE 93 -5.270 9.462 -10.213 774 2HG2 ILE 93 2HG2 ILE 93 -4.966 10.927 -9.280 775 3HG2 ILE 93 3HG2 ILE 93 -3.757 9.645 -9.325 776 1HD1 ILE 93 1HD1 ILE 93 -2.005 8.037 -11.984 777 2HD1 ILE 93 2HD1 ILE 93 -3.680 8.406 -12.389 778 3HD1 ILE 93 3HD1 ILE 93 -3.214 8.156 -10.707 779 H GLU 94 H GLU 94 -7.113 9.622 -11.999 780 HA GLU 94 HA GLU 94 -8.595 12.181 -11.541 781 1HB GLU 94 2HB GLU 94 -9.112 10.152 -13.231 782 2HB GLU 94 1HB GLU 94 -9.960 9.558 -11.802 783 1HG GLU 94 2HG GLU 94 -11.617 11.050 -12.064 784 2HG GLU 94 1HG GLU 94 -10.470 12.384 -12.195 785 H LEU 95 H LEU 95 -10.007 12.344 -9.753 786 HA LEU 95 HA LEU 95 -10.475 10.218 -7.949 787 1HB LEU 95 2HB LEU 95 -7.896 11.118 -7.774 788 2HB LEU 95 1HB LEU 95 -8.682 12.105 -6.538 789 HG LEU 95 HG LEU 95 -9.803 9.730 -5.967 790 1HD1 LEU 95 1HD1 LEU 95 -7.965 8.017 -6.117 791 2HD1 LEU 95 2HD1 LEU 95 -7.093 9.127 -7.170 792 3HD1 LEU 95 3HD1 LEU 95 -8.652 8.475 -7.674 793 1HD2 LEU 95 1HD2 LEU 95 -7.009 10.360 -5.015 794 2HD2 LEU 95 2HD2 LEU 95 -8.326 9.611 -4.110 795 3HD2 LEU 95 3HD2 LEU 95 -8.403 11.323 -4.528 796 HA PRO 96 HA PRO 96 -12.851 14.202 -7.489 797 1HB PRO 96 2HB PRO 96 -15.268 13.249 -8.322 798 2HB PRO 96 1HB PRO 96 -14.066 13.937 -9.430 799 1HG PRO 96 2HG PRO 96 -14.736 11.100 -8.893 800 2HG PRO 96 1HG PRO 96 -14.262 11.885 -10.405 801 1HD PRO 96 2HD PRO 96 -12.577 10.364 -8.845 802 2HD PRO 96 1HD PRO 96 -12.035 11.610 -9.991 Start of MODEL 6 1 1H MET 1 1HT MET 1 -6.786 8.985 1.892 2 2H MET 1 2HT MET 1 -7.628 9.537 0.524 3 3H MET 1 3HT MET 1 -6.008 9.046 0.387 4 HA MET 1 HA MET 1 -6.519 6.798 0.550 5 1HB MET 1 2HB MET 1 -8.956 7.924 1.927 6 2HB MET 1 1HB MET 1 -8.879 6.233 1.433 7 1HG MET 1 2HG MET 1 -7.186 5.724 2.944 8 2HG MET 1 1HG MET 1 -6.593 7.383 2.996 9 1HE MET 1 1HE MET 1 -6.785 8.760 4.656 10 2HE MET 1 2HE MET 1 -6.507 7.422 5.769 11 3HE MET 1 3HE MET 1 -7.751 8.615 6.132 12 H LEU 2 H LEU 2 -8.443 5.473 -0.541 13 HA LEU 2 HA LEU 2 -9.435 7.086 -2.855 14 1HB LEU 2 2HB LEU 2 -7.591 5.409 -3.262 15 2HB LEU 2 1HB LEU 2 -8.753 4.158 -2.806 16 HG LEU 2 HG LEU 2 -9.729 6.138 -4.784 17 1HD1 LEU 2 1HD1 LEU 2 -7.521 5.860 -5.710 18 2HD1 LEU 2 2HD1 LEU 2 -8.594 4.805 -6.628 19 3HD1 LEU 2 3HD1 LEU 2 -7.539 4.127 -5.388 20 1HD2 LEU 2 1HD2 LEU 2 -10.839 4.025 -3.810 21 2HD2 LEU 2 2HD2 LEU 2 -9.761 3.133 -4.880 22 3HD2 LEU 2 3HD2 LEU 2 -10.923 4.271 -5.549 23 H THR 3 H THR 3 -11.418 6.561 -3.711 24 HA THR 3 HA THR 3 -13.215 5.080 -1.847 25 HB THR 3 HB THR 3 -13.018 7.783 -2.652 26 HG1 THR 3 HG1 THR 3 -13.655 7.405 -0.653 27 1HG2 THR 3 1HG2 THR 3 -14.449 7.452 -4.556 28 2HG2 THR 3 2HG2 THR 3 -15.454 8.159 -3.293 29 3HG2 THR 3 3HG2 THR 3 -15.547 6.431 -3.628 30 H GLY 4 H GLY 4 -15.250 4.340 -2.994 31 1HA GLY 4 2HA GLY 4 -14.714 2.554 -5.076 32 2HA GLY 4 1HA GLY 4 -16.326 3.170 -4.728 33 H LYS 5 H LYS 5 -16.056 5.859 -5.405 34 HA LYS 5 HA LYS 5 -16.339 5.783 -8.251 35 1HB LYS 5 2HB LYS 5 -17.394 7.392 -6.694 36 2HB LYS 5 1HB LYS 5 -15.812 8.106 -6.380 37 1HG LYS 5 2HG LYS 5 -16.040 9.408 -8.200 38 2HG LYS 5 1HG LYS 5 -16.158 7.967 -9.210 39 1HD LYS 5 2HD LYS 5 -18.243 8.786 -9.660 40 2HD LYS 5 1HD LYS 5 -18.649 7.994 -8.137 41 1HE LYS 5 2HE LYS 5 -17.753 10.353 -7.164 42 2HE LYS 5 1HE LYS 5 -18.373 10.896 -8.737 43 1HZ LYS 5 1HZ LYS 5 -20.243 10.895 -7.358 44 2HZ LYS 5 2HZ LYS 5 -19.809 9.439 -6.599 45 3HZ LYS 5 3HZ LYS 5 -20.367 9.431 -8.204 46 H GLN 6 H GLN 6 -13.604 6.907 -6.200 47 HA GLN 6 HA GLN 6 -11.998 7.885 -8.362 48 1HB GLN 6 2HB GLN 6 -11.326 6.724 -5.641 49 2HB GLN 6 1HB GLN 6 -10.216 7.680 -6.625 50 1HG GLN 6 2HG GLN 6 -11.656 9.615 -6.488 51 2HG GLN 6 1HG GLN 6 -12.935 8.672 -5.724 52 1HE2 GLN 6 1HE2 GLN 6 -12.870 10.081 -3.804 53 2HE2 GLN 6 2HE2 GLN 6 -11.596 9.969 -2.688 54 H LYS 7 H LYS 7 -12.323 4.737 -6.799 55 HA LYS 7 HA LYS 7 -10.201 3.288 -8.017 56 1HB LYS 7 2HB LYS 7 -11.591 2.468 -6.186 57 2HB LYS 7 1HB LYS 7 -13.037 2.554 -7.190 58 1HG LYS 7 2HG LYS 7 -12.262 0.790 -8.612 59 2HG LYS 7 1HG LYS 7 -10.659 0.839 -7.889 60 1HD LYS 7 2HD LYS 7 -13.213 0.042 -6.462 61 2HD LYS 7 1HD LYS 7 -11.953 -1.066 -7.001 62 1HE LYS 7 2HE LYS 7 -10.921 -0.753 -5.009 63 2HE LYS 7 1HE LYS 7 -10.651 0.941 -5.463 64 1HZ LYS 7 1HZ LYS 7 -12.923 1.433 -4.726 65 2HZ LYS 7 2HZ LYS 7 -11.964 0.842 -3.454 66 3HZ LYS 7 3HZ LYS 7 -13.104 -0.170 -4.205 67 H ARG 8 H ARG 8 -13.527 3.940 -9.174 68 HA ARG 8 HA ARG 8 -13.486 2.352 -11.518 69 1HB ARG 8 2HB ARG 8 -15.290 3.833 -10.276 70 2HB ARG 8 1HB ARG 8 -14.768 5.069 -11.421 71 1HG ARG 8 2HG ARG 8 -15.184 2.471 -12.700 72 2HG ARG 8 1HG ARG 8 -16.647 3.086 -11.929 73 1HD ARG 8 2HD ARG 8 -16.904 4.686 -13.517 74 2HD ARG 8 1HD ARG 8 -15.206 5.182 -13.379 75 HE ARG 8 HE ARG 8 -14.620 3.547 -15.040 76 1HH1 ARG 8 1HH1 ARG 8 -17.593 4.564 -15.678 77 2HH1 ARG 8 2HH1 ARG 8 -18.235 3.084 -16.309 78 1HH2 ARG 8 1HH2 ARG 8 -15.589 1.146 -15.187 79 2HH2 ARG 8 2HH2 ARG 8 -17.101 1.151 -16.030 80 H TYR 9 H TYR 9 -12.763 5.859 -11.265 81 HA TYR 9 HA TYR 9 -11.850 6.191 -13.958 82 1HB TYR 9 2HB TYR 9 -11.626 7.615 -11.333 83 2HB TYR 9 1HB TYR 9 -10.591 8.152 -12.656 84 HD1 TYR 9 HD1 TYR 9 -13.921 8.211 -11.272 85 HD2 TYR 9 HD2 TYR 9 -11.683 8.718 -14.903 86 HE1 TYR 9 HE1 TYR 9 -15.832 9.426 -12.280 87 HE2 TYR 9 HE2 TYR 9 -13.595 9.936 -15.911 88 HH TYR 9 HH TYR 9 -16.492 10.711 -14.019 89 H LEU 10 H LEU 10 -10.053 5.675 -10.932 90 HA LEU 10 HA LEU 10 -7.460 5.697 -12.189 91 1HB LEU 10 2HB LEU 10 -8.658 5.596 -9.603 92 2HB LEU 10 1HB LEU 10 -7.478 4.290 -9.711 93 HG LEU 10 HG LEU 10 -6.853 7.097 -10.616 94 1HD1 LEU 10 1HD1 LEU 10 -5.903 7.540 -8.466 95 2HD1 LEU 10 2HD1 LEU 10 -6.105 5.863 -7.963 96 3HD1 LEU 10 3HD1 LEU 10 -7.514 6.897 -8.149 97 1HD2 LEU 10 1HD2 LEU 10 -5.513 5.038 -11.339 98 2HD2 LEU 10 2HD2 LEU 10 -5.073 4.862 -9.641 99 3HD2 LEU 10 3HD2 LEU 10 -4.588 6.305 -10.529 100 H ARG 11 H ARG 11 -9.620 3.042 -11.148 101 HA ARG 11 HA ARG 11 -7.892 0.870 -11.459 102 1HB ARG 11 2HB ARG 11 -10.111 0.560 -10.623 103 2HB ARG 11 1HB ARG 11 -10.835 1.285 -12.056 104 1HG ARG 11 2HG ARG 11 -9.189 -0.990 -12.788 105 2HG ARG 11 1HG ARG 11 -10.398 -1.454 -11.592 106 1HD ARG 11 2HD ARG 11 -11.776 0.225 -13.378 107 2HD ARG 11 1HD ARG 11 -10.784 -0.836 -14.400 108 HE ARG 11 HE ARG 11 -12.042 -2.294 -12.226 109 1HH1 ARG 11 1HH1 ARG 11 -13.964 -0.541 -14.066 110 2HH1 ARG 11 2HH1 ARG 11 -14.572 -1.803 -15.084 111 1HH2 ARG 11 1HH2 ARG 11 -12.179 -4.111 -14.096 112 2HH2 ARG 11 2HH2 ARG 11 -13.558 -3.825 -15.104 113 H SER 12 H SER 12 -9.746 2.599 -13.979 114 HA SER 12 HA SER 12 -8.753 0.911 -16.152 115 1HB SER 12 2HB SER 12 -9.832 2.834 -17.480 116 2HB SER 12 1HB SER 12 -10.890 1.942 -16.390 117 HG SER 12 HG SER 12 -9.977 4.545 -16.274 118 H LEU 13 H LEU 13 -7.746 3.907 -14.593 119 HA LEU 13 HA LEU 13 -6.031 4.962 -16.624 120 1HB LEU 13 2HB LEU 13 -6.166 5.060 -13.611 121 2HB LEU 13 1HB LEU 13 -4.896 5.907 -14.476 122 HG LEU 13 HG LEU 13 -7.462 6.868 -13.891 123 1HD1 LEU 13 1HD1 LEU 13 -6.540 8.835 -14.598 124 2HD1 LEU 13 2HD1 LEU 13 -5.941 8.137 -16.102 125 3HD1 LEU 13 3HD1 LEU 13 -5.064 7.870 -14.595 126 1HD2 LEU 13 1HD2 LEU 13 -7.218 6.450 -16.888 127 2HD2 LEU 13 2HD2 LEU 13 -8.502 7.315 -16.046 128 3HD2 LEU 13 3HD2 LEU 13 -8.340 5.573 -15.848 129 H ALA 14 H ALA 14 -5.266 2.850 -13.855 130 HA ALA 14 HA ALA 14 -2.474 2.551 -14.434 131 1HB ALA 14 1HB ALA 14 -3.296 0.282 -13.082 132 2HB ALA 14 2HB ALA 14 -4.584 1.429 -12.716 133 3HB ALA 14 3HB ALA 14 -2.909 1.827 -12.326 134 H HIS 15 H HIS 15 -5.220 1.267 -16.074 135 HA HIS 15 HA HIS 15 -4.180 -1.305 -16.868 136 1HB HIS 15 2HB HIS 15 -6.553 0.059 -16.981 137 2HB HIS 15 1HB HIS 15 -6.037 0.122 -18.665 138 HD1 HIS 15 HD1 HIS 15 -5.957 -2.091 -19.978 139 HD2 HIS 15 HD2 HIS 15 -7.042 -2.590 -15.985 140 HE1 HIS 15 HE1 HIS 15 -6.795 -4.471 -19.756 141 H ASN 16 H ASN 16 -4.251 1.874 -18.526 142 HA ASN 16 HA ASN 16 -2.780 0.861 -20.841 143 1HB ASN 16 2HB ASN 16 -4.519 2.817 -20.520 144 2HB ASN 16 1HB ASN 16 -3.087 3.757 -20.103 145 1HD2 ASN 16 1HD2 ASN 16 -1.215 3.525 -21.789 146 2HD2 ASN 16 2HD2 ASN 16 -1.670 3.471 -23.423 147 H ILE 17 H ILE 17 -1.781 1.609 -17.723 148 HA ILE 17 HA ILE 17 0.781 2.836 -18.510 149 HB ILE 17 HB ILE 17 0.109 2.071 -15.731 150 1HG1 ILE 17 2HG1 ILE 17 -1.460 4.073 -17.366 151 2HG1 ILE 17 1HG1 ILE 17 -2.059 2.844 -16.263 152 1HG2 ILE 17 1HG2 ILE 17 2.141 3.279 -16.308 153 2HG2 ILE 17 2HG2 ILE 17 1.088 4.262 -15.295 154 3HG2 ILE 17 3HG2 ILE 17 1.172 4.560 -17.032 155 1HD1 ILE 17 1HD1 ILE 17 -1.146 4.090 -14.351 156 2HD1 ILE 17 2HD1 ILE 17 -2.255 5.097 -15.284 157 3HD1 ILE 17 3HD1 ILE 17 -0.513 5.317 -15.451 158 H ASP 18 H ASP 18 2.756 1.851 -17.406 159 HA ASP 18 HA ASP 18 2.638 -1.126 -17.616 160 1HB ASP 18 2HB ASP 18 4.187 0.839 -18.853 161 2HB ASP 18 1HB ASP 18 5.272 0.111 -17.668 162 HA PRO 19 HA PRO 19 3.833 -1.457 -13.302 163 1HB PRO 19 2HB PRO 19 4.821 -4.000 -13.401 164 2HB PRO 19 1HB PRO 19 3.087 -3.637 -13.419 165 1HG PRO 19 2HG PRO 19 4.874 -4.410 -15.646 166 2HG PRO 19 1HG PRO 19 3.177 -4.817 -15.357 167 1HD PRO 19 2HD PRO 19 4.030 -2.919 -17.142 168 2HD PRO 19 1HD PRO 19 2.421 -2.943 -16.389 169 H ILE 20 H ILE 20 5.804 -1.280 -12.147 170 HA ILE 20 HA ILE 20 8.346 -1.264 -13.757 171 HB ILE 20 HB ILE 20 8.376 0.149 -11.161 172 1HG1 ILE 20 2HG1 ILE 20 7.352 2.248 -12.035 173 2HG1 ILE 20 1HG1 ILE 20 6.743 1.355 -13.421 174 1HG2 ILE 20 1HG2 ILE 20 9.104 1.273 -13.842 175 2HG2 ILE 20 2HG2 ILE 20 10.096 0.027 -13.086 176 3HG2 ILE 20 3HG2 ILE 20 9.845 1.571 -12.271 177 1HD1 ILE 20 1HD1 ILE 20 5.004 0.514 -12.226 178 2HD1 ILE 20 2HD1 ILE 20 5.412 1.730 -11.015 179 3HD1 ILE 20 3HD1 ILE 20 6.054 0.095 -10.876 180 H PHE 21 H PHE 21 6.671 -2.373 -10.971 181 HA PHE 21 HA PHE 21 9.085 -3.711 -9.861 182 1HB PHE 21 2HB PHE 21 7.094 -3.907 -7.959 183 2HB PHE 21 1HB PHE 21 8.285 -2.619 -8.014 184 HD1 PHE 21 HD1 PHE 21 4.949 -3.493 -9.524 185 HD2 PHE 21 HD2 PHE 21 7.530 -0.438 -8.007 186 HE1 PHE 21 HE1 PHE 21 3.160 -1.810 -9.837 187 HE2 PHE 21 HE2 PHE 21 5.720 1.238 -8.291 188 HZ PHE 21 HZ PHE 21 3.543 0.549 -9.228 189 H GLN 22 H GLN 22 9.035 -5.948 -9.531 190 HA GLN 22 HA GLN 22 6.550 -7.412 -10.347 191 1HB GLN 22 2HB GLN 22 8.957 -7.120 -11.786 192 2HB GLN 22 1HB GLN 22 9.012 -8.749 -11.111 193 1HG GLN 22 2HG GLN 22 6.718 -9.157 -12.016 194 2HG GLN 22 1HG GLN 22 6.773 -7.568 -12.780 195 1HE2 GLN 22 1HE2 GLN 22 7.738 -7.466 -14.831 196 2HE2 GLN 22 2HE2 GLN 22 8.669 -8.708 -15.518 197 H ILE 23 H ILE 23 5.978 -8.705 -8.639 198 HA ILE 23 HA ILE 23 7.969 -9.467 -6.599 199 HB ILE 23 HB ILE 23 5.039 -9.253 -6.921 200 1HG1 ILE 23 2HG1 ILE 23 7.001 -9.045 -4.621 201 2HG1 ILE 23 1HG1 ILE 23 6.311 -7.718 -5.552 202 1HG2 ILE 23 1HG2 ILE 23 5.369 -11.784 -6.519 203 2HG2 ILE 23 2HG2 ILE 23 4.345 -10.940 -5.368 204 3HG2 ILE 23 3HG2 ILE 23 6.006 -11.340 -4.940 205 1HD1 ILE 23 1HD1 ILE 23 4.114 -8.134 -4.660 206 2HD1 ILE 23 2HD1 ILE 23 5.235 -8.091 -3.299 207 3HD1 ILE 23 3HD1 ILE 23 4.644 -9.638 -3.906 208 H GLY 24 H GLY 24 8.646 -11.616 -6.229 209 1HA GLY 24 2HA GLY 24 8.326 -13.454 -8.519 210 2HA GLY 24 1HA GLY 24 9.408 -13.693 -7.141 211 H LYS 25 H LYS 25 7.664 -15.760 -8.043 212 HA LYS 25 HA LYS 25 5.227 -15.775 -6.482 213 1HB LYS 25 2HB LYS 25 5.501 -17.070 -8.528 214 2HB LYS 25 1HB LYS 25 6.848 -17.960 -7.819 215 1HG LYS 25 2HG LYS 25 4.423 -18.027 -6.166 216 2HG LYS 25 1HG LYS 25 4.202 -18.761 -7.755 217 1HD LYS 25 2HD LYS 25 6.575 -19.421 -6.004 218 2HD LYS 25 1HD LYS 25 5.056 -20.308 -5.893 219 1HE LYS 25 2HE LYS 25 5.220 -20.808 -8.348 220 2HE LYS 25 1HE LYS 25 6.821 -20.040 -8.353 221 1HZ LYS 25 1HZ LYS 25 7.293 -21.548 -6.369 222 2HZ LYS 25 2HZ LYS 25 7.273 -22.272 -7.905 223 3HZ LYS 25 3HZ LYS 25 5.939 -22.441 -6.866 224 H GLY 26 H GLY 26 5.340 -15.741 -4.292 225 1HA GLY 26 2HA GLY 26 6.247 -17.875 -2.722 226 2HA GLY 26 1HA GLY 26 7.584 -16.721 -2.774 227 H GLY 27 H GLY 27 6.100 -14.313 -2.864 228 1HA GLY 27 2HA GLY 27 3.999 -13.831 -1.206 229 2HA GLY 27 1HA GLY 27 5.308 -14.123 -0.054 230 H ILE 28 H ILE 28 3.920 -11.573 -0.565 231 HA ILE 28 HA ILE 28 5.545 -9.858 -2.190 232 HB ILE 28 HB ILE 28 3.849 -9.298 0.263 233 1HG1 ILE 28 2HG1 ILE 28 3.150 -9.257 -2.690 234 2HG1 ILE 28 1HG1 ILE 28 2.666 -10.515 -1.554 235 1HG2 ILE 28 1HG2 ILE 28 4.046 -7.300 -1.894 236 2HG2 ILE 28 2HG2 ILE 28 5.557 -7.567 -1.023 237 3HG2 ILE 28 3HG2 ILE 28 4.107 -7.078 -0.145 238 1HD1 ILE 28 1HD1 ILE 28 1.031 -9.242 -0.674 239 2HD1 ILE 28 2HD1 ILE 28 1.231 -8.223 -2.098 240 3HD1 ILE 28 3HD1 ILE 28 2.065 -7.821 -0.598 241 H ASN 29 H ASN 29 7.704 -9.510 -1.779 242 HA ASN 29 HA ASN 29 8.656 -9.593 1.049 243 1HB ASN 29 2HB ASN 29 9.635 -10.366 -1.579 244 2HB ASN 29 1HB ASN 29 10.821 -9.384 -0.717 245 1HD2 ASN 29 1HD2 ASN 29 8.998 -12.426 -0.596 246 2HD2 ASN 29 2HD2 ASN 29 9.915 -13.128 0.647 247 H GLU 30 H GLU 30 9.852 -7.812 1.939 248 HA GLU 30 HA GLU 30 9.119 -5.186 1.130 249 1HB GLU 30 2HB GLU 30 9.947 -5.753 3.369 250 2HB GLU 30 1HB GLU 30 11.525 -6.174 2.700 251 1HG GLU 30 2HG GLU 30 12.121 -3.971 2.345 252 2HG GLU 30 1HG GLU 30 10.458 -3.459 2.054 253 H ASN 31 H ASN 31 11.840 -7.238 0.154 254 HA ASN 31 HA ASN 31 13.575 -5.377 -1.046 255 1HB ASN 31 2HB ASN 31 12.837 -8.210 -1.310 256 2HB ASN 31 1HB ASN 31 13.453 -7.525 -2.814 257 1HD2 ASN 31 1HD2 ASN 31 14.649 -9.340 -0.504 258 2HD2 ASN 31 2HD2 ASN 31 16.172 -8.637 -0.245 259 H MET 32 H MET 32 10.571 -6.798 -2.297 260 HA MET 32 HA MET 32 10.665 -5.348 -4.820 261 1HB MET 32 2HB MET 32 9.278 -7.497 -3.690 262 2HB MET 32 1HB MET 32 8.046 -6.249 -3.881 263 1HG MET 32 2HG MET 32 8.199 -7.618 -5.920 264 2HG MET 32 1HG MET 32 8.713 -5.965 -6.249 265 1HE MET 32 1HE MET 32 9.966 -9.758 -6.781 266 2HE MET 32 2HE MET 32 9.537 -9.320 -5.130 267 3HE MET 32 3HE MET 32 11.217 -9.668 -5.533 268 H ILE 33 H ILE 33 9.354 -4.792 -1.568 269 HA ILE 33 HA ILE 33 7.730 -2.511 -2.362 270 HB ILE 33 HB ILE 33 8.911 -3.067 0.366 271 1HG1 ILE 33 2HG1 ILE 33 7.759 -5.102 -0.523 272 2HG1 ILE 33 1HG1 ILE 33 6.895 -4.390 0.837 273 1HG2 ILE 33 1HG2 ILE 33 6.808 -1.870 1.061 274 2HG2 ILE 33 2HG2 ILE 33 6.443 -1.603 -0.644 275 3HG2 ILE 33 3HG2 ILE 33 7.875 -0.869 0.075 276 1HD1 ILE 33 1HD1 ILE 33 5.971 -3.139 -1.567 277 2HD1 ILE 33 2HD1 ILE 33 5.063 -4.144 -0.436 278 3HD1 ILE 33 3HD1 ILE 33 5.916 -4.888 -1.790 279 H LYS 34 H LYS 34 11.073 -3.054 -1.410 280 HA LYS 34 HA LYS 34 11.850 -0.394 -0.788 281 1HB LYS 34 2HB LYS 34 13.144 -2.852 -1.941 282 2HB LYS 34 1HB LYS 34 14.064 -1.348 -1.911 283 1HG LYS 34 2HG LYS 34 12.741 -1.732 0.627 284 2HG LYS 34 1HG LYS 34 13.691 -3.163 0.224 285 1HD LYS 34 2HD LYS 34 15.181 -1.687 1.378 286 2HD LYS 34 1HD LYS 34 15.612 -1.582 -0.329 287 1HE LYS 34 2HE LYS 34 15.508 0.689 0.327 288 2HE LYS 34 1HE LYS 34 13.898 0.416 -0.366 289 1HZ LYS 34 1HZ LYS 34 14.693 0.410 2.485 290 2HZ LYS 34 2HZ LYS 34 13.262 -0.343 1.960 291 3HZ LYS 34 3HZ LYS 34 13.480 1.328 1.734 292 H GLN 35 H GLN 35 11.684 -2.153 -3.874 293 HA GLN 35 HA GLN 35 12.397 0.139 -5.526 294 1HB GLN 35 2HB GLN 35 12.712 -2.276 -6.115 295 2HB GLN 35 1HB GLN 35 10.958 -2.458 -6.180 296 1HG GLN 35 2HG GLN 35 11.265 -0.308 -7.802 297 2HG GLN 35 1HG GLN 35 12.792 -1.138 -8.100 298 1HE2 GLN 35 1HE2 GLN 35 11.958 -3.848 -7.863 299 2HE2 GLN 35 2HE2 GLN 35 10.854 -4.191 -9.106 300 H ILE 36 H ILE 36 9.320 -1.633 -4.938 301 HA ILE 36 HA ILE 36 7.551 0.036 -6.354 302 HB ILE 36 HB ILE 36 7.196 -1.386 -3.713 303 1HG1 ILE 36 2HG1 ILE 36 6.262 -2.374 -6.376 304 2HG1 ILE 36 1HG1 ILE 36 7.954 -2.588 -5.932 305 1HG2 ILE 36 1HG2 ILE 36 5.045 -0.707 -5.717 306 2HG2 ILE 36 2HG2 ILE 36 5.446 0.376 -4.386 307 3HG2 ILE 36 3HG2 ILE 36 4.850 -1.248 -4.050 308 1HD1 ILE 36 1HD1 ILE 36 6.524 -3.332 -3.653 309 2HD1 ILE 36 2HD1 ILE 36 7.310 -4.420 -4.798 310 3HD1 ILE 36 3HD1 ILE 36 5.605 -4.015 -4.995 311 H ASP 37 H ASP 37 8.994 0.431 -3.166 312 HA ASP 37 HA ASP 37 7.457 2.538 -2.127 313 1HB ASP 37 2HB ASP 37 9.171 1.338 -0.878 314 2HB ASP 37 1HB ASP 37 10.428 1.940 -1.958 315 H ASP 38 H ASP 38 10.530 2.777 -3.985 316 HA ASP 38 HA ASP 38 10.345 5.649 -4.373 317 1HB ASP 38 2HB ASP 38 12.378 4.072 -4.377 318 2HB ASP 38 1HB ASP 38 11.904 3.649 -6.023 319 H THR 39 H THR 39 9.491 2.823 -6.349 320 HA THR 39 HA THR 39 8.890 4.057 -8.854 321 HB THR 39 HB THR 39 7.356 1.835 -7.516 322 HG1 THR 39 HG1 THR 39 9.170 0.591 -8.502 323 1HG2 THR 39 1HG2 THR 39 7.441 0.978 -9.843 324 2HG2 THR 39 2HG2 THR 39 8.253 2.459 -10.332 325 3HG2 THR 39 3HG2 THR 39 6.601 2.518 -9.713 326 H LEU 40 H LEU 40 6.770 3.528 -5.992 327 HA LEU 40 HA LEU 40 4.591 5.055 -7.271 328 1HB LEU 40 2HB LEU 40 3.336 4.334 -5.314 329 2HB LEU 40 1HB LEU 40 4.283 2.967 -5.897 330 HG LEU 40 HG LEU 40 6.084 3.921 -4.196 331 1HD1 LEU 40 1HD1 LEU 40 3.696 5.468 -3.644 332 2HD1 LEU 40 2HD1 LEU 40 5.314 5.644 -2.964 333 3HD1 LEU 40 3HD1 LEU 40 4.167 4.523 -2.230 334 1HD2 LEU 40 1HD2 LEU 40 5.594 1.982 -3.154 335 2HD2 LEU 40 2HD2 LEU 40 4.158 1.867 -4.171 336 3HD2 LEU 40 3HD2 LEU 40 4.054 2.626 -2.583 337 H GLU 41 H GLU 41 7.029 5.505 -4.741 338 HA GLU 41 HA GLU 41 5.980 7.844 -3.498 339 1HB GLU 41 2HB GLU 41 7.821 6.546 -2.586 340 2HB GLU 41 1HB GLU 41 8.807 6.862 -4.012 341 1HG GLU 41 2HG GLU 41 7.862 9.350 -2.873 342 2HG GLU 41 1HG GLU 41 8.700 8.394 -1.650 343 H ASN 42 H ASN 42 7.339 7.372 -6.651 344 HA ASN 42 HA ASN 42 7.729 10.318 -7.004 345 1HB ASN 42 2HB ASN 42 9.550 8.557 -7.456 346 2HB ASN 42 1HB ASN 42 8.573 8.064 -8.840 347 1HD2 ASN 42 1HD2 ASN 42 9.775 8.901 -10.590 348 2HD2 ASN 42 2HD2 ASN 42 10.200 10.537 -10.752 349 H ARG 43 H ARG 43 5.855 7.543 -8.035 350 HA ARG 43 HA ARG 43 4.551 9.150 -10.189 351 1HB ARG 43 2HB ARG 43 4.638 6.207 -9.465 352 2HB ARG 43 1HB ARG 43 3.622 6.847 -10.757 353 1HG ARG 43 2HG ARG 43 5.460 7.484 -12.065 354 2HG ARG 43 1HG ARG 43 6.559 7.495 -10.685 355 1HD ARG 43 2HD ARG 43 7.133 5.347 -11.103 356 2HD ARG 43 1HD ARG 43 5.432 4.850 -10.989 357 HE ARG 43 HE ARG 43 5.215 5.634 -13.397 358 1HH1 ARG 43 1HH1 ARG 43 8.057 6.783 -13.423 359 2HH1 ARG 43 2HH1 ARG 43 8.894 5.561 -14.321 360 1HH2 ARG 43 1HH2 ARG 43 6.383 3.199 -13.959 361 2HH2 ARG 43 2HH2 ARG 43 7.946 3.532 -14.624 362 H GLU 44 H GLU 44 2.053 8.142 -10.287 363 HA GLU 44 HA GLU 44 0.903 8.699 -7.568 364 1HB GLU 44 2HB GLU 44 0.168 9.496 -10.381 365 2HB GLU 44 1HB GLU 44 -1.064 9.482 -9.118 366 1HG GLU 44 2HG GLU 44 0.616 10.877 -7.733 367 2HG GLU 44 1HG GLU 44 1.449 11.145 -9.264 368 H LEU 45 H LEU 45 0.422 6.939 -10.634 369 HA LEU 45 HA LEU 45 -1.438 5.059 -9.232 370 1HB LEU 45 2HB LEU 45 -2.243 6.285 -11.237 371 2HB LEU 45 1HB LEU 45 -0.908 5.619 -12.171 372 HG LEU 45 HG LEU 45 -1.795 3.397 -12.052 373 1HD1 LEU 45 1HD1 LEU 45 -4.161 3.389 -10.679 374 2HD1 LEU 45 2HD1 LEU 45 -3.201 4.487 -9.690 375 3HD1 LEU 45 3HD1 LEU 45 -2.624 2.851 -10.001 376 1HD2 LEU 45 1HD2 LEU 45 -3.100 4.328 -13.707 377 2HD2 LEU 45 2HD2 LEU 45 -3.691 5.618 -12.664 378 3HD2 LEU 45 3HD2 LEU 45 -4.387 4.002 -12.548 379 H ILE 46 H ILE 46 -0.716 2.964 -8.894 380 HA ILE 46 HA ILE 46 1.798 2.161 -10.316 381 HB ILE 46 HB ILE 46 2.018 0.743 -8.081 382 1HG1 ILE 46 2HG1 ILE 46 0.508 3.172 -7.079 383 2HG1 ILE 46 1HG1 ILE 46 -0.240 1.587 -7.263 384 1HG2 ILE 46 1HG2 ILE 46 2.686 3.486 -7.402 385 2HG2 ILE 46 2HG2 ILE 46 3.101 3.122 -9.078 386 3HG2 ILE 46 3HG2 ILE 46 3.756 2.134 -7.772 387 1HD1 ILE 46 1HD1 ILE 46 0.470 1.627 -5.005 388 2HD1 ILE 46 2HD1 ILE 46 2.006 2.392 -5.417 389 3HD1 ILE 46 3HD1 ILE 46 1.722 0.702 -5.836 390 H LYS 47 H LYS 47 1.479 0.498 -11.625 391 HA LYS 47 HA LYS 47 -0.688 -1.512 -11.057 392 1HB LYS 47 2HB LYS 47 0.350 -2.111 -13.566 393 2HB LYS 47 1HB LYS 47 -1.083 -1.135 -13.293 394 1HG LYS 47 2HG LYS 47 1.700 0.045 -13.452 395 2HG LYS 47 1HG LYS 47 0.653 -0.139 -14.856 396 1HD LYS 47 2HD LYS 47 -0.726 1.565 -14.217 397 2HD LYS 47 1HD LYS 47 -0.636 1.129 -12.524 398 1HE LYS 47 2HE LYS 47 0.471 3.392 -13.369 399 2HE LYS 47 1HE LYS 47 1.285 2.410 -12.144 400 1HZ LYS 47 1HZ LYS 47 2.525 3.158 -14.327 401 2HZ LYS 47 2HZ LYS 47 1.783 1.772 -14.962 402 3HZ LYS 47 3HZ LYS 47 2.817 1.643 -13.626 403 H VAL 48 H VAL 48 0.379 -3.096 -9.746 404 HA VAL 48 HA VAL 48 3.215 -3.668 -10.354 405 HB VAL 48 HB VAL 48 1.454 -4.752 -8.119 406 1HG1 VAL 48 1HG1 VAL 48 3.362 -5.507 -7.236 407 2HG1 VAL 48 2HG1 VAL 48 4.230 -4.016 -7.605 408 3HG1 VAL 48 3HG1 VAL 48 4.040 -5.257 -8.844 409 1HG2 VAL 48 1HG2 VAL 48 1.475 -2.807 -6.951 410 2HG2 VAL 48 2HG2 VAL 48 1.805 -2.026 -8.494 411 3HG2 VAL 48 3HG2 VAL 48 3.134 -2.446 -7.417 412 H HIS 49 H HIS 49 3.922 -5.799 -10.856 413 HA HIS 49 HA HIS 49 1.773 -7.717 -11.672 414 1HB HIS 49 2HB HIS 49 3.597 -6.804 -13.250 415 2HB HIS 49 1HB HIS 49 4.728 -7.798 -12.332 416 HD1 HIS 49 HD1 HIS 49 3.358 -10.381 -11.923 417 HD2 HIS 49 HD2 HIS 49 2.912 -8.264 -15.486 418 HE1 HIS 49 HE1 HIS 49 2.613 -12.060 -13.665 419 H VAL 50 H VAL 50 1.355 -8.964 -9.835 420 HA VAL 50 HA VAL 50 3.628 -9.885 -8.142 421 HB VAL 50 HB VAL 50 0.615 -10.110 -7.874 422 1HG1 VAL 50 1HG1 VAL 50 0.932 -11.148 -5.861 423 2HG1 VAL 50 2HG1 VAL 50 2.427 -10.276 -5.530 424 3HG1 VAL 50 3HG1 VAL 50 2.440 -11.666 -6.613 425 1HG2 VAL 50 1HG2 VAL 50 1.324 -8.372 -5.972 426 2HG2 VAL 50 2HG2 VAL 50 0.966 -7.841 -7.616 427 3HG2 VAL 50 3HG2 VAL 50 2.640 -8.052 -7.103 428 H LEU 51 H LEU 51 4.252 -11.925 -7.970 429 HA LEU 51 HA LEU 51 3.350 -13.852 -9.962 430 1HB LEU 51 2HB LEU 51 5.612 -13.321 -8.186 431 2HB LEU 51 1HB LEU 51 5.269 -15.023 -8.438 432 HG LEU 51 HG LEU 51 6.882 -14.114 -10.118 433 1HD1 LEU 51 1HD1 LEU 51 5.260 -16.023 -10.562 434 2HD1 LEU 51 2HD1 LEU 51 5.861 -15.191 -11.996 435 3HD1 LEU 51 3HD1 LEU 51 4.239 -14.850 -11.395 436 1HD2 LEU 51 1HD2 LEU 51 5.189 -11.923 -10.138 437 2HD2 LEU 51 2HD2 LEU 51 4.779 -12.739 -11.646 438 3HD2 LEU 51 3HD2 LEU 51 6.443 -12.247 -11.334 439 H GLN 52 H GLN 52 1.328 -13.370 -8.008 440 HA GLN 52 HA GLN 52 1.477 -15.517 -5.996 441 1HB GLN 52 2HB GLN 52 0.487 -13.284 -5.553 442 2HB GLN 52 1HB GLN 52 -0.738 -13.600 -6.783 443 1HG GLN 52 2HG GLN 52 -1.586 -14.086 -4.506 444 2HG GLN 52 1HG GLN 52 -1.551 -15.535 -5.509 445 1HE2 GLN 52 1HE2 GLN 52 -0.441 -17.308 -4.646 446 2HE2 GLN 52 2HE2 GLN 52 0.643 -17.228 -3.343 447 H ASN 53 H ASN 53 0.415 -15.208 -9.253 448 HA ASN 53 HA ASN 53 -0.655 -16.740 -10.690 449 1HB ASN 53 2HB ASN 53 0.578 -18.214 -8.555 450 2HB ASN 53 1HB ASN 53 -0.951 -18.990 -8.965 451 1HD2 ASN 53 1HD2 ASN 53 -1.281 -19.458 -11.371 452 2HD2 ASN 53 2HD2 ASN 53 0.088 -19.816 -12.309 453 H ASN 54 H ASN 54 -1.969 -17.872 -7.563 454 HA ASN 54 HA ASN 54 -4.652 -18.082 -8.467 455 1HB ASN 54 2HB ASN 54 -3.106 -18.278 -6.023 456 2HB ASN 54 1HB ASN 54 -4.667 -17.523 -5.703 457 1HD2 ASN 54 1HD2 ASN 54 -6.494 -18.761 -7.204 458 2HD2 ASN 54 2HD2 ASN 54 -6.476 -20.445 -7.002 459 H PHE 55 H PHE 55 -6.481 -16.691 -8.089 460 HA PHE 55 HA PHE 55 -5.855 -13.827 -8.288 461 1HB PHE 55 2HB PHE 55 -7.746 -15.532 -9.308 462 2HB PHE 55 1HB PHE 55 -8.651 -14.737 -8.019 463 HD1 PHE 55 HD1 PHE 55 -6.773 -14.226 -11.159 464 HD2 PHE 55 HD2 PHE 55 -9.141 -12.363 -8.098 465 HE1 PHE 55 HE1 PHE 55 -7.007 -12.203 -12.573 466 HE2 PHE 55 HE2 PHE 55 -9.375 -10.338 -9.512 467 HZ PHE 55 HZ PHE 55 -8.309 -10.258 -11.749 468 H ASP 56 H ASP 56 -8.014 -15.754 -6.138 469 HA ASP 56 HA ASP 56 -8.543 -13.689 -4.293 470 1HB ASP 56 2HB ASP 56 -9.358 -16.216 -4.656 471 2HB ASP 56 1HB ASP 56 -8.248 -16.472 -3.309 472 H ASP 57 H ASP 57 -5.727 -15.537 -4.746 473 HA ASP 57 HA ASP 57 -4.574 -15.025 -2.095 474 1HB ASP 57 2HB ASP 57 -3.645 -16.212 -4.716 475 2HB ASP 57 1HB ASP 57 -2.514 -15.942 -3.391 476 H LYS 58 H LYS 58 -4.333 -13.748 -5.389 477 HA LYS 58 HA LYS 58 -2.182 -11.901 -4.966 478 1HB LYS 58 2HB LYS 58 -3.625 -12.802 -7.059 479 2HB LYS 58 1HB LYS 58 -4.450 -11.264 -6.801 480 1HG LYS 58 2HG LYS 58 -2.704 -10.075 -7.609 481 2HG LYS 58 1HG LYS 58 -1.537 -11.011 -6.676 482 1HD LYS 58 2HD LYS 58 -1.240 -11.249 -9.155 483 2HD LYS 58 1HD LYS 58 -1.541 -12.782 -8.339 484 1HE LYS 58 2HE LYS 58 -2.911 -12.600 -10.398 485 2HE LYS 58 1HE LYS 58 -3.955 -12.612 -8.964 486 1HZ LYS 58 1HZ LYS 58 -4.057 -10.243 -8.983 487 2HZ LYS 58 2HZ LYS 58 -4.460 -10.776 -10.543 488 3HZ LYS 58 3HZ LYS 58 -2.917 -10.135 -10.234 489 H LYS 59 H LYS 59 -5.715 -11.628 -4.622 490 HA LYS 59 HA LYS 59 -5.894 -8.858 -4.017 491 1HB LYS 59 2HB LYS 59 -7.662 -10.730 -4.461 492 2HB LYS 59 1HB LYS 59 -7.570 -11.004 -2.720 493 1HG LYS 59 2HG LYS 59 -7.839 -8.171 -3.535 494 2HG LYS 59 1HG LYS 59 -9.242 -9.187 -3.873 495 1HD LYS 59 2HD LYS 59 -9.213 -9.965 -1.509 496 2HD LYS 59 1HD LYS 59 -7.872 -8.866 -1.187 497 1HE LYS 59 2HE LYS 59 -9.819 -7.279 -2.462 498 2HE LYS 59 1HE LYS 59 -10.707 -8.271 -1.287 499 1HZ LYS 59 1HZ LYS 59 -9.615 -6.155 -0.415 500 2HZ LYS 59 2HZ LYS 59 -8.138 -6.975 -0.599 501 3HZ LYS 59 3HZ LYS 59 -9.326 -7.587 0.450 502 H GLU 60 H GLU 60 -5.634 -11.657 -1.772 503 HA GLU 60 HA GLU 60 -5.472 -10.216 0.660 504 1HB GLU 60 2HB GLU 60 -5.315 -12.834 -0.196 505 2HB GLU 60 1HB GLU 60 -3.678 -12.542 0.393 506 1HG GLU 60 2HG GLU 60 -5.860 -11.524 2.119 507 2HG GLU 60 1HG GLU 60 -5.728 -13.279 2.011 508 H LEU 61 H LEU 61 -2.896 -11.140 -1.637 509 HA LEU 61 HA LEU 61 -0.659 -10.140 -0.224 510 1HB LEU 61 2HB LEU 61 -1.439 -10.733 -3.021 511 2HB LEU 61 1HB LEU 61 -0.091 -9.607 -2.852 512 HG LEU 61 HG LEU 61 0.823 -11.334 -1.123 513 1HD1 LEU 61 1HD1 LEU 61 -0.955 -13.142 -2.779 514 2HD1 LEU 61 2HD1 LEU 61 -1.342 -12.632 -1.135 515 3HD1 LEU 61 3HD1 LEU 61 0.093 -13.611 -1.442 516 1HD2 LEU 61 1HD2 LEU 61 0.969 -12.614 -3.774 517 2HD2 LEU 61 2HD2 LEU 61 2.263 -11.959 -2.772 518 3HD2 LEU 61 3HD2 LEU 61 1.311 -10.885 -3.797 519 H ALA 62 H ALA 62 -3.135 -8.474 -2.140 520 HA ALA 62 HA ALA 62 -1.895 -5.886 -2.224 521 1HB ALA 62 1HB ALA 62 -4.303 -7.109 -3.000 522 2HB ALA 62 2HB ALA 62 -3.830 -5.438 -3.310 523 3HB ALA 62 3HB ALA 62 -4.779 -5.834 -1.876 524 H GLU 63 H GLU 63 -3.681 -7.671 0.235 525 HA GLU 63 HA GLU 63 -4.239 -5.572 2.057 526 1HB GLU 63 2HB GLU 63 -4.641 -8.238 1.974 527 2HB GLU 63 1HB GLU 63 -3.262 -8.192 3.073 528 1HG GLU 63 2HG GLU 63 -5.462 -6.252 3.590 529 2HG GLU 63 1HG GLU 63 -5.793 -7.948 3.942 530 H THR 64 H THR 64 -1.406 -7.346 1.311 531 HA THR 64 HA THR 64 0.260 -6.119 3.412 532 HB THR 64 HB THR 64 0.781 -7.960 1.053 533 HG1 THR 64 HG1 THR 64 0.591 -8.310 3.855 534 1HG2 THR 64 1HG2 THR 64 2.764 -6.518 1.693 535 2HG2 THR 64 2HG2 THR 64 3.026 -8.253 1.865 536 3HG2 THR 64 3HG2 THR 64 2.701 -7.265 3.288 537 H LEU 65 H LEU 65 0.215 -6.120 -0.188 538 HA LEU 65 HA LEU 65 2.177 -4.073 -0.531 539 1HB LEU 65 2HB LEU 65 -0.078 -5.255 -2.120 540 2HB LEU 65 1HB LEU 65 0.763 -3.841 -2.754 541 HG LEU 65 HG LEU 65 2.186 -6.344 -1.830 542 1HD1 LEU 65 1HD1 LEU 65 1.232 -5.511 -4.577 543 2HD1 LEU 65 2HD1 LEU 65 0.837 -6.993 -3.708 544 3HD1 LEU 65 3HD1 LEU 65 2.472 -6.737 -4.318 545 1HD2 LEU 65 1HD2 LEU 65 3.550 -4.799 -3.816 546 2HD2 LEU 65 2HD2 LEU 65 4.035 -5.118 -2.152 547 3HD2 LEU 65 3HD2 LEU 65 3.034 -3.716 -2.523 548 H SER 66 H SER 66 -1.413 -3.835 -0.664 549 HA SER 66 HA SER 66 -1.617 -1.031 -0.943 550 1HB SER 66 2HB SER 66 -3.865 -1.413 -0.398 551 2HB SER 66 1HB SER 66 -3.340 -3.018 -0.895 552 HG SER 66 HG SER 66 -3.333 -3.667 1.158 553 H GLU 67 H GLU 67 -1.402 -2.969 2.066 554 HA GLU 67 HA GLU 67 -1.546 -0.704 3.848 555 1HB GLU 67 2HB GLU 67 -0.634 -3.576 4.009 556 2HB GLU 67 1HB GLU 67 -0.481 -2.504 5.401 557 1HG GLU 67 2HG GLU 67 -3.112 -2.582 3.982 558 2HG GLU 67 1HG GLU 67 -2.688 -3.949 5.013 559 H ALA 68 H ALA 68 1.164 -2.478 2.359 560 HA ALA 68 HA ALA 68 3.222 -0.997 3.794 561 1HB ALA 68 1HB ALA 68 3.145 -3.345 2.539 562 2HB ALA 68 2HB ALA 68 4.646 -2.426 2.637 563 3HB ALA 68 3HB ALA 68 3.671 -2.368 1.169 564 H THR 69 H THR 69 1.565 -0.660 0.682 565 HA THR 69 HA THR 69 3.356 1.497 -0.220 566 HB THR 69 HB THR 69 1.752 1.465 -2.153 567 HG1 THR 69 HG1 THR 69 0.210 -0.312 -2.020 568 1HG2 THR 69 1HG2 THR 69 3.694 -0.072 -2.055 569 2HG2 THR 69 2HG2 THR 69 2.324 -0.797 -2.897 570 3HG2 THR 69 3HG2 THR 69 2.687 -1.267 -1.237 571 H ARG 70 H ARG 70 0.787 1.355 1.957 572 HA ARG 70 HA ARG 70 -0.645 3.002 2.856 573 1HB ARG 70 2HB ARG 70 1.895 4.205 1.998 574 2HB ARG 70 1HB ARG 70 0.580 5.375 2.126 575 1HG ARG 70 2HG ARG 70 0.375 3.670 4.384 576 2HG ARG 70 1HG ARG 70 2.074 4.123 4.241 577 1HD ARG 70 2HD ARG 70 1.418 6.516 4.110 578 2HD ARG 70 1HD ARG 70 -0.281 6.046 4.311 579 HE ARG 70 HE ARG 70 1.839 5.761 6.379 580 1HH1 ARG 70 1HH2 ARG 70 -1.175 6.938 6.046 581 2HH1 ARG 70 2HH2 ARG 70 -1.922 6.006 7.302 582 1HH2 ARG 70 1HH1 ARG 70 0.780 3.865 7.684 583 2HH2 ARG 70 2HH1 ARG 70 -0.814 4.265 8.229 584 H SER 71 H SER 71 -1.099 2.068 0.061 585 HA SER 71 HA SER 71 -2.481 4.499 -1.044 586 1HB SER 71 2HB SER 71 -2.173 3.140 -3.216 587 2HB SER 71 1HB SER 71 -0.743 3.874 -2.507 588 HG SER 71 HG SER 71 -0.183 1.795 -2.867 589 H GLU 72 H GLU 72 -4.122 3.261 -2.883 590 HA GLU 72 HA GLU 72 -5.685 1.261 -1.288 591 1HB GLU 72 2HB GLU 72 -6.364 3.860 -1.522 592 2HB GLU 72 1HB GLU 72 -7.099 3.244 -3.002 593 1HG GLU 72 2HG GLU 72 -7.543 1.625 -0.552 594 2HG GLU 72 1HG GLU 72 -8.358 3.188 -0.609 595 H LEU 73 H LEU 73 -5.974 -0.602 -2.487 596 HA LEU 73 HA LEU 73 -5.222 -0.961 -5.179 597 1HB LEU 73 2HB LEU 73 -6.279 -2.393 -2.982 598 2HB LEU 73 1HB LEU 73 -7.398 -2.680 -4.304 599 HG LEU 73 HG LEU 73 -4.490 -3.329 -4.103 600 1HD1 LEU 73 1HD1 LEU 73 -6.261 -4.983 -3.469 601 2HD1 LEU 73 2HD1 LEU 73 -5.357 -5.531 -4.881 602 3HD1 LEU 73 3HD1 LEU 73 -6.962 -4.826 -5.080 603 1HD2 LEU 73 1HD2 LEU 73 -4.272 -2.617 -6.285 604 2HD2 LEU 73 2HD2 LEU 73 -6.011 -2.577 -6.541 605 3HD2 LEU 73 3HD2 LEU 73 -5.137 -4.103 -6.658 606 H VAL 74 H VAL 74 -6.267 0.348 -6.811 607 HA VAL 74 HA VAL 74 -9.149 0.796 -6.670 608 HB VAL 74 HB VAL 74 -8.783 1.578 -9.065 609 1HG1 VAL 74 1HG1 VAL 74 -8.306 3.563 -8.141 610 2HG1 VAL 74 2HG1 VAL 74 -6.675 3.042 -7.724 611 3HG1 VAL 74 3HG1 VAL 74 -8.014 2.716 -6.625 612 1HG2 VAL 74 1HG2 VAL 74 -5.855 1.374 -8.506 613 2HG2 VAL 74 2HG2 VAL 74 -6.691 1.537 -10.049 614 3HG2 VAL 74 3HG2 VAL 74 -6.695 -0.011 -9.204 615 H GLN 75 H GLN 75 -6.943 -1.630 -7.945 616 HA GLN 75 HA GLN 75 -8.889 -3.657 -8.041 617 1HB GLN 75 2HB GLN 75 -9.280 -1.854 -10.102 618 2HB GLN 75 1HB GLN 75 -8.360 -3.141 -10.875 619 1HG GLN 75 2HG GLN 75 -10.556 -3.904 -11.131 620 2HG GLN 75 1HG GLN 75 -10.052 -4.728 -9.655 621 1HE2 GLN 75 1HE2 GLN 75 -10.962 -3.985 -7.613 622 2HE2 GLN 75 2HE2 GLN 75 -12.284 -2.920 -7.563 623 H VAL 76 H VAL 76 -8.313 -5.546 -9.302 624 HA VAL 76 HA VAL 76 -5.342 -5.853 -9.331 625 HB VAL 76 HB VAL 76 -7.643 -7.149 -7.991 626 1HG1 VAL 76 1HG1 VAL 76 -5.307 -8.753 -9.109 627 2HG1 VAL 76 2HG1 VAL 76 -7.027 -9.059 -9.356 628 3HG1 VAL 76 3HG1 VAL 76 -6.303 -9.321 -7.770 629 1HG2 VAL 76 1HG2 VAL 76 -4.705 -6.719 -7.414 630 2HG2 VAL 76 2HG2 VAL 76 -5.752 -7.650 -6.342 631 3HG2 VAL 76 3HG2 VAL 76 -6.094 -5.947 -6.648 632 H ILE 77 H ILE 77 -4.871 -6.010 -11.542 633 HA ILE 77 HA ILE 77 -6.717 -7.350 -13.397 634 HB ILE 77 HB ILE 77 -4.243 -5.680 -13.448 635 1HG1 ILE 77 2HG1 ILE 77 -5.494 -4.514 -15.197 636 2HG1 ILE 77 1HG1 ILE 77 -6.690 -5.807 -15.235 637 1HG2 ILE 77 1HG2 ILE 77 -4.992 -7.421 -15.812 638 2HG2 ILE 77 2HG2 ILE 77 -3.579 -7.685 -14.788 639 3HG2 ILE 77 3HG2 ILE 77 -3.704 -6.218 -15.757 640 1HD1 ILE 77 1HD1 ILE 77 -7.029 -3.575 -13.770 641 2HD1 ILE 77 2HD1 ILE 77 -6.164 -4.555 -12.588 642 3HD1 ILE 77 3HD1 ILE 77 -7.680 -5.137 -13.274 643 H GLY 78 H GLY 78 -6.053 -9.287 -14.619 644 1HA GLY 78 2HA GLY 78 -5.187 -11.482 -13.191 645 2HA GLY 78 1HA GLY 78 -4.943 -11.354 -14.931 646 H SER 79 H SER 79 -3.401 -11.557 -11.939 647 HA SER 79 HA SER 79 -1.115 -11.766 -11.382 648 1HB SER 79 2HB SER 79 -0.321 -11.030 -14.170 649 2HB SER 79 1HB SER 79 0.340 -12.270 -13.109 650 HG SER 79 HG SER 79 -0.960 -13.607 -14.057 651 H MET 80 H MET 80 -2.610 -8.958 -12.406 652 HA MET 80 HA MET 80 -0.219 -7.325 -11.671 653 1HB MET 80 2HB MET 80 -2.524 -6.642 -13.520 654 2HB MET 80 1HB MET 80 -1.102 -5.644 -13.225 655 1HG MET 80 2HG MET 80 0.106 -7.958 -13.946 656 2HG MET 80 1HG MET 80 -1.382 -8.089 -14.885 657 1HE MET 80 1HE MET 80 -0.208 -8.299 -16.752 658 2HE MET 80 2HE MET 80 1.423 -7.638 -16.813 659 3HE MET 80 3HE MET 80 0.168 -6.963 -17.848 660 H ILE 81 H ILE 81 -0.600 -5.646 -10.143 661 HA ILE 81 HA ILE 81 -3.340 -5.619 -8.924 662 HB ILE 81 HB ILE 81 -0.600 -4.962 -7.765 663 1HG1 ILE 81 2HG1 ILE 81 -2.455 -7.342 -7.401 664 2HG1 ILE 81 1HG1 ILE 81 -0.877 -7.360 -8.188 665 1HG2 ILE 81 1HG2 ILE 81 -1.786 -4.833 -5.620 666 2HG2 ILE 81 2HG2 ILE 81 -3.314 -5.192 -6.424 667 3HG2 ILE 81 3HG2 ILE 81 -2.478 -3.677 -6.757 668 1HD1 ILE 81 1HD1 ILE 81 0.176 -6.652 -6.053 669 2HD1 ILE 81 2HD1 ILE 81 -0.673 -8.190 -5.890 670 3HD1 ILE 81 3HD1 ILE 81 -1.406 -6.709 -5.273 671 H VAL 82 H VAL 82 -4.376 -3.659 -8.883 672 HA VAL 82 HA VAL 82 -2.983 -1.313 -10.109 673 HB VAL 82 HB VAL 82 -5.982 -1.871 -9.766 674 1HG1 VAL 82 1HG1 VAL 82 -4.672 0.406 -10.588 675 2HG1 VAL 82 2HG1 VAL 82 -6.270 -0.076 -11.158 676 3HG1 VAL 82 3HG1 VAL 82 -4.847 -0.454 -12.117 677 1HG2 VAL 82 1HG2 VAL 82 -3.933 -2.886 -11.740 678 2HG2 VAL 82 2HG2 VAL 82 -5.561 -2.521 -12.314 679 3HG2 VAL 82 3HG2 VAL 82 -5.320 -3.720 -11.042 680 H ILE 83 H ILE 83 -2.229 0.040 -8.502 681 HA ILE 83 HA ILE 83 -4.117 0.742 -6.274 682 HB ILE 83 HB ILE 83 -1.114 0.323 -6.103 683 1HG1 ILE 83 2HG1 ILE 83 -3.317 -1.462 -5.025 684 2HG1 ILE 83 1HG1 ILE 83 -2.512 -1.759 -6.563 685 1HG2 ILE 83 1HG2 ILE 83 -3.240 1.189 -4.201 686 2HG2 ILE 83 2HG2 ILE 83 -1.554 1.689 -4.318 687 3HG2 ILE 83 3HG2 ILE 83 -1.963 0.142 -3.580 688 1HD1 ILE 83 1HD1 ILE 83 -1.176 -3.039 -5.199 689 2HD1 ILE 83 2HD1 ILE 83 -1.454 -2.018 -3.789 690 3HD1 ILE 83 3HD1 ILE 83 -0.333 -1.498 -5.048 691 H TYR 84 H TYR 84 -3.719 2.855 -5.334 692 HA TYR 84 HA TYR 84 -2.078 4.712 -7.014 693 1HB TYR 84 2HB TYR 84 -4.272 5.065 -7.802 694 2HB TYR 84 1HB TYR 84 -4.988 4.758 -6.223 695 HD1 TYR 84 HD1 TYR 84 -2.720 7.182 -7.974 696 HD2 TYR 84 HD2 TYR 84 -5.635 6.564 -4.880 697 HE1 TYR 84 HE1 TYR 84 -2.734 9.618 -7.502 698 HE2 TYR 84 HE2 TYR 84 -5.649 8.999 -4.409 699 HH TYR 84 HH TYR 84 -5.026 11.182 -5.986 700 H ARG 85 H ARG 85 -0.518 5.399 -5.544 701 HA ARG 85 HA ARG 85 -1.264 5.718 -2.681 702 1HB ARG 85 2HB ARG 85 0.809 4.559 -3.194 703 2HB ARG 85 1HB ARG 85 1.327 5.866 -4.247 704 1HG ARG 85 2HG ARG 85 2.414 5.876 -1.965 705 2HG ARG 85 1HG ARG 85 1.588 7.374 -2.386 706 1HD ARG 85 2HD ARG 85 -0.297 6.834 -0.988 707 2HD ARG 85 1HD ARG 85 0.275 5.171 -0.757 708 HE ARG 85 HE ARG 85 2.338 6.268 0.330 709 1HH1 ARG 85 1HH2 ARG 85 -0.868 6.813 1.101 710 2HH1 ARG 85 2HH2 ARG 85 -0.585 8.197 2.102 711 1HH2 ARG 85 1HH1 ARG 85 2.763 8.463 1.246 712 2HH2 ARG 85 2HH1 ARG 85 1.469 9.131 2.184 713 H GLU 86 H GLU 86 -2.099 7.646 -2.101 714 HA GLU 86 HA GLU 86 -2.727 9.954 -2.328 715 1HB GLU 86 2HB GLU 86 -0.958 11.159 -1.230 716 2HB GLU 86 1HB GLU 86 -0.899 9.500 -0.646 717 1HG GLU 86 2HG GLU 86 1.126 9.094 -1.620 718 2HG GLU 86 1HG GLU 86 0.758 10.053 -3.049 719 H SER 87 H SER 87 -0.643 11.997 -2.995 720 HA SER 87 HA SER 87 -0.575 11.707 -5.970 721 1HB SER 87 2HB SER 87 -0.964 14.365 -4.646 722 2HB SER 87 1HB SER 87 -1.519 13.819 -6.226 723 HG SER 87 HG SER 87 -3.065 12.548 -5.186 724 H LYS 88 H LYS 88 1.317 12.595 -6.951 725 HA LYS 88 HA LYS 88 3.251 14.018 -5.225 726 1HB LYS 88 2HB LYS 88 3.356 11.339 -5.224 727 2HB LYS 88 1HB LYS 88 4.231 11.616 -6.730 728 1HG LYS 88 2HG LYS 88 6.017 11.768 -5.299 729 2HG LYS 88 1HG LYS 88 5.466 13.439 -5.176 730 1HD LYS 88 2HD LYS 88 4.258 12.977 -3.148 731 2HD LYS 88 1HD LYS 88 4.503 11.239 -3.331 732 1HE LYS 88 2HE LYS 88 6.391 11.446 -2.094 733 2HE LYS 88 1HE LYS 88 7.086 12.416 -3.409 734 1HZ LYS 88 1HZ LYS 88 6.055 14.376 -2.521 735 2HZ LYS 88 2HZ LYS 88 6.959 13.642 -1.283 736 3HZ LYS 88 3HZ LYS 88 5.267 13.480 -1.315 737 H GLU 89 H GLU 89 3.156 12.229 -8.319 738 HA GLU 89 HA GLU 89 4.309 14.617 -9.674 739 1HB GLU 89 2HB GLU 89 4.612 11.803 -9.861 740 2HB GLU 89 1HB GLU 89 3.801 12.304 -11.346 741 1HG GLU 89 2HG GLU 89 5.545 14.057 -11.666 742 2HG GLU 89 1HG GLU 89 6.384 13.445 -10.242 743 H ASN 90 H ASN 90 2.876 15.955 -10.635 744 HA ASN 90 HA ASN 90 0.064 15.586 -10.725 745 1HB ASN 90 2HB ASN 90 2.037 17.370 -12.163 746 2HB ASN 90 1HB ASN 90 0.299 17.531 -12.413 747 1HD2 ASN 90 1HD2 ASN 90 0.068 19.562 -11.304 748 2HD2 ASN 90 2HD2 ASN 90 0.325 19.723 -9.633 749 H LYS 91 H LYS 91 -0.055 13.409 -11.641 750 HA LYS 91 HA LYS 91 0.340 13.206 -14.592 751 1HB LYS 91 2HB LYS 91 0.236 11.407 -12.237 752 2HB LYS 91 1HB LYS 91 -0.558 10.774 -13.679 753 1HG LYS 91 2HG LYS 91 1.427 10.913 -14.969 754 2HG LYS 91 1HG LYS 91 2.213 11.968 -13.796 755 1HD LYS 91 2HD LYS 91 3.036 10.192 -12.692 756 2HD LYS 91 1HD LYS 91 1.412 9.530 -12.491 757 1HE LYS 91 2HE LYS 91 2.109 7.855 -13.872 758 2HE LYS 91 1HE LYS 91 1.980 9.047 -15.180 759 1HZ LYS 91 1HZ LYS 91 4.361 8.949 -13.436 760 2HZ LYS 91 2HZ LYS 91 4.206 9.631 -14.985 761 3HZ LYS 91 3HZ LYS 91 4.245 7.943 -14.797 762 H GLU 92 H GLU 92 -1.592 12.402 -15.857 763 HA GLU 92 HA GLU 92 -4.007 13.810 -15.180 764 1HB GLU 92 2HB GLU 92 -3.327 11.549 -17.088 765 2HB GLU 92 1HB GLU 92 -4.910 12.329 -17.062 766 1HG GLU 92 2HG GLU 92 -3.569 14.549 -17.278 767 2HG GLU 92 1HG GLU 92 -2.243 13.512 -17.806 768 H ILE 93 H ILE 93 -4.041 12.902 -12.898 769 HA ILE 93 HA ILE 93 -5.309 10.205 -12.710 770 HB ILE 93 HB ILE 93 -3.614 11.982 -10.937 771 1HG1 ILE 93 2HG1 ILE 93 -2.578 10.333 -12.501 772 2HG1 ILE 93 1HG1 ILE 93 -2.227 9.976 -10.810 773 1HG2 ILE 93 1HG2 ILE 93 -4.863 11.337 -9.145 774 2HG2 ILE 93 2HG2 ILE 93 -4.134 9.750 -9.386 775 3HG2 ILE 93 3HG2 ILE 93 -5.720 10.105 -10.070 776 1HD1 ILE 93 1HD1 ILE 93 -3.245 7.969 -10.951 777 2HD1 ILE 93 2HD1 ILE 93 -3.370 8.226 -12.691 778 3HD1 ILE 93 3HD1 ILE 93 -4.699 8.699 -11.633 779 H GLU 94 H GLU 94 -7.471 10.170 -12.186 780 HA GLU 94 HA GLU 94 -8.766 12.710 -11.289 781 1HB GLU 94 2HB GLU 94 -9.456 11.073 -13.272 782 2HB GLU 94 1HB GLU 94 -10.234 10.196 -11.953 783 1HG GLU 94 2HG GLU 94 -11.957 11.631 -12.361 784 2HG GLU 94 1HG GLU 94 -11.003 12.718 -11.352 785 H LEU 95 H LEU 95 -10.199 12.628 -9.447 786 HA LEU 95 HA LEU 95 -10.477 10.159 -7.986 787 1HB LEU 95 2HB LEU 95 -8.111 11.585 -7.625 788 2HB LEU 95 1HB LEU 95 -9.089 12.051 -6.232 789 HG LEU 95 HG LEU 95 -9.585 9.438 -6.176 790 1HD1 LEU 95 1HD1 LEU 95 -8.397 8.602 -7.983 791 2HD1 LEU 95 2HD1 LEU 95 -7.219 8.405 -6.686 792 3HD1 LEU 95 3HD1 LEU 95 -7.090 9.771 -7.795 793 1HD2 LEU 95 1HD2 LEU 95 -7.733 9.208 -4.556 794 2HD2 LEU 95 2HD2 LEU 95 -8.573 10.745 -4.349 795 3HD2 LEU 95 3HD2 LEU 95 -7.015 10.696 -5.175 796 HA PRO 96 HA PRO 96 -13.467 13.658 -7.148 797 1HB PRO 96 2HB PRO 96 -15.674 12.503 -8.266 798 2HB PRO 96 1HB PRO 96 -14.549 13.528 -9.180 799 1HG PRO 96 2HG PRO 96 -14.780 10.571 -9.108 800 2HG PRO 96 1HG PRO 96 -14.393 11.643 -10.461 801 1HD PRO 96 2HD PRO 96 -12.533 10.182 -9.075 802 2HD PRO 96 1HD PRO 96 -12.170 11.679 -9.960 Start of MODEL 7 1 1H MET 1 1HT MET 1 -7.552 8.141 0.648 2 2H MET 1 2HT MET 1 -7.077 7.347 2.072 3 3H MET 1 3HT MET 1 -8.709 7.748 1.823 4 HA MET 1 HA MET 1 -7.118 5.592 0.575 5 1HB MET 1 2HB MET 1 -9.927 5.846 1.688 6 2HB MET 1 1HB MET 1 -9.109 4.344 1.258 7 1HG MET 1 2HG MET 1 -7.477 4.646 3.016 8 2HG MET 1 1HG MET 1 -8.065 6.274 3.350 9 1HE MET 1 1HE MET 1 -7.841 2.955 3.963 10 2HE MET 1 2HE MET 1 -9.445 2.260 3.736 11 3HE MET 1 3HE MET 1 -8.875 2.627 5.361 12 H LEU 2 H LEU 2 -8.774 4.350 -0.982 13 HA LEU 2 HA LEU 2 -9.894 6.371 -2.872 14 1HB LEU 2 2HB LEU 2 -7.800 5.121 -3.546 15 2HB LEU 2 1HB LEU 2 -8.791 3.657 -3.558 16 HG LEU 2 HG LEU 2 -10.001 5.947 -4.975 17 1HD1 LEU 2 1HD1 LEU 2 -7.970 6.497 -5.933 18 2HD1 LEU 2 2HD1 LEU 2 -8.423 5.165 -6.994 19 3HD1 LEU 2 3HD1 LEU 2 -7.288 4.894 -5.670 20 1HD2 LEU 2 1HD2 LEU 2 -10.246 3.181 -4.814 21 2HD2 LEU 2 2HD2 LEU 2 -9.539 3.463 -6.406 22 3HD2 LEU 2 3HD2 LEU 2 -11.055 4.242 -5.964 23 H THR 3 H THR 3 -11.810 5.981 -3.808 24 HA THR 3 HA THR 3 -13.421 3.772 -2.616 25 HB THR 3 HB THR 3 -13.478 6.501 -2.270 26 HG1 THR 3 HG1 THR 3 -15.513 6.012 -1.264 27 1HG2 THR 3 1HG2 THR 3 -14.469 6.996 -4.415 28 2HG2 THR 3 2HG2 THR 3 -15.723 7.189 -3.189 29 3HG2 THR 3 3HG2 THR 3 -15.691 5.743 -4.198 30 H GLY 4 H GLY 4 -15.405 3.287 -3.961 31 1HA GLY 4 2HA GLY 4 -14.845 2.240 -6.459 32 2HA GLY 4 1HA GLY 4 -16.464 2.757 -6.001 33 H LYS 5 H LYS 5 -16.413 5.439 -5.977 34 HA LYS 5 HA LYS 5 -16.479 6.226 -8.690 35 1HB LYS 5 2HB LYS 5 -17.530 7.318 -6.683 36 2HB LYS 5 1HB LYS 5 -15.941 7.957 -6.263 37 1HG LYS 5 2HG LYS 5 -16.121 9.613 -7.782 38 2HG LYS 5 1HG LYS 5 -16.567 8.473 -9.052 39 1HD LYS 5 2HD LYS 5 -18.816 8.574 -7.390 40 2HD LYS 5 1HD LYS 5 -18.269 10.249 -7.496 41 1HE LYS 5 2HE LYS 5 -18.222 8.807 -10.076 42 2HE LYS 5 1HE LYS 5 -19.841 9.047 -9.390 43 1HZ LYS 5 1HZ LYS 5 -19.213 11.000 -10.628 44 2HZ LYS 5 2HZ LYS 5 -17.756 11.132 -9.764 45 3HZ LYS 5 3HZ LYS 5 -19.241 11.380 -8.976 46 H GLN 6 H GLN 6 -13.900 6.850 -6.260 47 HA GLN 6 HA GLN 6 -12.110 8.189 -8.065 48 1HB GLN 6 2HB GLN 6 -11.712 6.527 -5.565 49 2HB GLN 6 1HB GLN 6 -10.499 7.606 -6.234 50 1HG GLN 6 2HG GLN 6 -12.031 9.515 -5.938 51 2HG GLN 6 1HG GLN 6 -13.262 8.433 -5.295 52 1HE2 GLN 6 1HE2 GLN 6 -9.745 8.322 -4.597 53 2HE2 GLN 6 2HE2 GLN 6 -9.911 8.626 -2.936 54 H LYS 7 H LYS 7 -12.724 4.841 -7.211 55 HA LYS 7 HA LYS 7 -10.435 3.657 -8.495 56 1HB LYS 7 2HB LYS 7 -11.811 2.612 -6.731 57 2HB LYS 7 1HB LYS 7 -13.202 2.607 -7.816 58 1HG LYS 7 2HG LYS 7 -12.240 0.999 -9.240 59 2HG LYS 7 1HG LYS 7 -10.619 1.281 -8.606 60 1HD LYS 7 2HD LYS 7 -10.994 0.023 -6.697 61 2HD LYS 7 1HD LYS 7 -12.731 0.334 -6.710 62 1HE LYS 7 2HE LYS 7 -12.321 -1.046 -9.092 63 2HE LYS 7 1HE LYS 7 -11.249 -1.868 -7.941 64 1HZ LYS 7 1HZ LYS 7 -14.149 -1.321 -7.648 65 2HZ LYS 7 2HZ LYS 7 -13.165 -1.771 -6.338 66 3HZ LYS 7 3HZ LYS 7 -13.373 -2.829 -7.652 67 H ARG 8 H ARG 8 -13.831 4.114 -9.526 68 HA ARG 8 HA ARG 8 -13.791 2.805 -11.988 69 1HB ARG 8 2HB ARG 8 -15.666 4.031 -10.755 70 2HB ARG 8 1HB ARG 8 -15.042 5.518 -11.471 71 1HG ARG 8 2HG ARG 8 -15.710 4.939 -13.599 72 2HG ARG 8 1HG ARG 8 -15.521 3.211 -13.303 73 1HD ARG 8 2HD ARG 8 -17.547 3.349 -11.773 74 2HD ARG 8 1HD ARG 8 -17.795 4.997 -12.385 75 HE ARG 8 HE ARG 8 -17.391 3.052 -14.519 76 1HH1 ARG 8 1HH2 ARG 8 -19.273 5.578 -13.984 77 2HH1 ARG 8 2HH2 ARG 8 -20.805 4.825 -14.270 78 1HH2 ARG 8 1HH1 ARG 8 -19.530 1.600 -14.199 79 2HH2 ARG 8 2HH1 ARG 8 -20.951 2.572 -14.395 80 H TYR 9 H TYR 9 -12.947 6.257 -11.464 81 HA TYR 9 HA TYR 9 -12.096 6.735 -14.173 82 1HB TYR 9 2HB TYR 9 -11.854 8.023 -11.488 83 2HB TYR 9 1HB TYR 9 -10.772 8.590 -12.760 84 HD1 TYR 9 HD1 TYR 9 -11.649 10.678 -13.422 85 HD2 TYR 9 HD2 TYR 9 -14.279 7.304 -13.044 86 HE1 TYR 9 HE1 TYR 9 -13.487 11.998 -14.434 87 HE2 TYR 9 HE2 TYR 9 -16.118 8.624 -14.055 88 HH TYR 9 HH TYR 9 -16.420 11.569 -14.165 89 H LEU 10 H LEU 10 -10.190 6.265 -11.198 90 HA LEU 10 HA LEU 10 -7.675 6.220 -12.556 91 1HB LEU 10 2HB LEU 10 -8.722 6.225 -9.933 92 2HB LEU 10 1HB LEU 10 -7.662 4.814 -10.037 93 HG LEU 10 HG LEU 10 -6.868 7.532 -11.070 94 1HD1 LEU 10 1HD1 LEU 10 -7.194 7.787 -8.674 95 2HD1 LEU 10 2HD1 LEU 10 -5.462 7.668 -8.988 96 3HD1 LEU 10 3HD1 LEU 10 -6.341 6.275 -8.358 97 1HD2 LEU 10 1HD2 LEU 10 -5.456 5.963 -12.030 98 2HD2 LEU 10 2HD2 LEU 10 -5.631 4.838 -10.682 99 3HD2 LEU 10 3HD2 LEU 10 -4.591 6.253 -10.520 100 H ARG 11 H ARG 11 -9.562 3.485 -11.165 101 HA ARG 11 HA ARG 11 -7.829 1.407 -11.908 102 1HB ARG 11 2HB ARG 11 -9.651 0.045 -11.394 103 2HB ARG 11 1HB ARG 11 -10.140 1.546 -10.622 104 1HG ARG 11 2HG ARG 11 -11.460 2.123 -12.666 105 2HG ARG 11 1HG ARG 11 -11.019 0.563 -13.358 106 1HD ARG 11 2HD ARG 11 -11.974 -0.226 -10.921 107 2HD ARG 11 1HD ARG 11 -13.007 1.179 -11.257 108 HE ARG 11 HE ARG 11 -12.590 -0.899 -13.363 109 1HH1 ARG 11 1HH1 ARG 11 -14.424 1.559 -13.571 110 2HH1 ARG 11 2HH1 ARG 11 -15.971 0.828 -13.310 111 1HH2 ARG 11 1HH2 ARG 11 -14.661 -2.116 -12.033 112 2HH2 ARG 11 2HH2 ARG 11 -16.107 -1.253 -12.443 113 H SER 12 H SER 12 -9.991 3.312 -13.936 114 HA SER 12 HA SER 12 -9.958 1.626 -16.271 115 1HB SER 12 2HB SER 12 -10.364 4.575 -15.733 116 2HB SER 12 1HB SER 12 -10.473 3.916 -17.361 117 HG SER 12 HG SER 12 -12.471 3.583 -16.732 118 H LEU 13 H LEU 13 -7.925 4.403 -15.260 119 HA LEU 13 HA LEU 13 -6.166 4.521 -17.494 120 1HB LEU 13 2HB LEU 13 -5.884 5.011 -14.526 121 2HB LEU 13 1HB LEU 13 -4.572 5.350 -15.643 122 HG LEU 13 HG LEU 13 -6.540 7.130 -14.909 123 1HD1 LEU 13 1HD1 LEU 13 -4.674 8.105 -15.802 124 2HD1 LEU 13 2HD1 LEU 13 -5.715 8.220 -17.221 125 3HD1 LEU 13 3HD1 LEU 13 -4.538 6.913 -17.094 126 1HD2 LEU 13 1HD2 LEU 13 -7.256 6.077 -17.666 127 2HD2 LEU 13 2HD2 LEU 13 -7.875 7.565 -16.956 128 3HD2 LEU 13 3HD2 LEU 13 -8.281 6.012 -16.232 129 H ALA 14 H ALA 14 -6.131 2.487 -14.631 130 HA ALA 14 HA ALA 14 -3.675 1.291 -14.664 131 1HB ALA 14 1HB ALA 14 -4.802 -0.565 -13.610 132 2HB ALA 14 2HB ALA 14 -6.302 -0.212 -14.469 133 3HB ALA 14 3HB ALA 14 -5.724 0.885 -13.213 134 H HIS 15 H HIS 15 -6.206 0.835 -17.074 135 HA HIS 15 HA HIS 15 -5.276 -1.609 -18.248 136 1HB HIS 15 2HB HIS 15 -7.101 0.642 -18.868 137 2HB HIS 15 1HB HIS 15 -6.542 -0.287 -20.258 138 HD1 HIS 15 HD1 HIS 15 -6.886 -2.976 -20.039 139 HD2 HIS 15 HD2 HIS 15 -9.110 -0.618 -17.416 140 HE1 HIS 15 HE1 HIS 15 -8.739 -4.452 -19.143 141 H ASN 16 H ASN 16 -4.163 1.708 -18.601 142 HA ASN 16 HA ASN 16 -2.411 0.808 -20.865 143 1HB ASN 16 2HB ASN 16 -2.474 3.212 -21.510 144 2HB ASN 16 1HB ASN 16 -4.085 2.498 -21.443 145 1HD2 ASN 16 1HD2 ASN 16 -5.456 4.093 -20.618 146 2HD2 ASN 16 2HD2 ASN 16 -5.122 5.042 -19.250 147 H ILE 17 H ILE 17 -1.999 0.881 -17.753 148 HA ILE 17 HA ILE 17 0.345 2.689 -17.625 149 HB ILE 17 HB ILE 17 -0.618 0.983 -15.383 150 1HG1 ILE 17 2HG1 ILE 17 -2.717 1.906 -16.377 151 2HG1 ILE 17 1HG1 ILE 17 -2.374 2.590 -14.800 152 1HG2 ILE 17 1HG2 ILE 17 -0.041 2.943 -14.087 153 2HG2 ILE 17 2HG2 ILE 17 0.272 3.836 -15.577 154 3HG2 ILE 17 3HG2 ILE 17 1.293 2.465 -15.137 155 1HD1 ILE 17 1HD1 ILE 17 -1.614 4.620 -15.702 156 2HD1 ILE 17 2HD1 ILE 17 -3.062 4.229 -16.627 157 3HD1 ILE 17 3HD1 ILE 17 -1.467 3.936 -17.321 158 H ASP 18 H ASP 18 2.321 1.720 -16.615 159 HA ASP 18 HA ASP 18 2.683 -1.093 -17.548 160 1HB ASP 18 2HB ASP 18 3.974 1.280 -18.212 161 2HB ASP 18 1HB ASP 18 5.108 0.464 -17.135 162 HA PRO 19 HA PRO 19 3.913 -2.192 -13.364 163 1HB PRO 19 2HB PRO 19 4.901 -4.662 -13.953 164 2HB PRO 19 1HB PRO 19 3.162 -4.316 -13.931 165 1HG PRO 19 2HG PRO 19 4.975 -4.725 -16.221 166 2HG PRO 19 1HG PRO 19 3.242 -5.046 -16.077 167 1HD PRO 19 2HD PRO 19 4.431 -2.855 -17.360 168 2HD PRO 19 1HD PRO 19 2.715 -3.031 -16.941 169 H ILE 20 H ILE 20 5.916 -2.015 -12.277 170 HA ILE 20 HA ILE 20 8.435 -2.103 -13.913 171 HB ILE 20 HB ILE 20 8.608 -0.391 -11.538 172 1HG1 ILE 20 2HG1 ILE 20 7.475 1.590 -12.487 173 2HG1 ILE 20 1HG1 ILE 20 6.819 0.605 -13.785 174 1HG2 ILE 20 1HG2 ILE 20 9.487 1.161 -13.422 175 2HG2 ILE 20 2HG2 ILE 20 9.335 -0.271 -14.440 176 3HG2 ILE 20 3HG2 ILE 20 10.387 -0.302 -13.025 177 1HD1 ILE 20 1HD1 ILE 20 6.239 -0.513 -11.156 178 2HD1 ILE 20 2HD1 ILE 20 5.129 -0.145 -12.471 179 3HD1 ILE 20 3HD1 ILE 20 5.599 1.119 -11.335 180 H PHE 21 H PHE 21 6.779 -2.915 -11.011 181 HA PHE 21 HA PHE 21 9.200 -4.171 -9.809 182 1HB PHE 21 2HB PHE 21 7.208 -4.208 -7.883 183 2HB PHE 21 1HB PHE 21 8.423 -2.947 -8.027 184 HD1 PHE 21 HD1 PHE 21 7.735 -0.758 -8.258 185 HD2 PHE 21 HD2 PHE 21 5.069 -3.897 -9.417 186 HE1 PHE 21 HE1 PHE 21 5.964 0.920 -8.714 187 HE2 PHE 21 HE2 PHE 21 3.317 -2.220 -9.902 188 HZ PHE 21 HZ PHE 21 3.770 0.182 -9.558 189 H GLN 22 H GLN 22 9.166 -6.385 -9.449 190 HA GLN 22 HA GLN 22 6.661 -7.846 -10.227 191 1HB GLN 22 2HB GLN 22 8.900 -7.844 -11.641 192 2HB GLN 22 1HB GLN 22 9.425 -9.009 -10.424 193 1HG GLN 22 2HG GLN 22 8.051 -10.635 -11.212 194 2HG GLN 22 1HG GLN 22 6.716 -9.509 -11.466 195 1HE2 GLN 22 1HE2 GLN 22 9.012 -11.399 -13.106 196 2HE2 GLN 22 2HE2 GLN 22 8.926 -10.632 -14.619 197 H ILE 23 H ILE 23 5.782 -8.810 -8.472 198 HA ILE 23 HA ILE 23 7.300 -9.280 -6.020 199 HB ILE 23 HB ILE 23 4.518 -9.348 -7.039 200 1HG1 ILE 23 2HG1 ILE 23 5.434 -7.465 -5.781 201 2HG1 ILE 23 1HG1 ILE 23 4.101 -8.209 -4.898 202 1HG2 ILE 23 1HG2 ILE 23 4.211 -10.491 -4.502 203 2HG2 ILE 23 2HG2 ILE 23 5.419 -11.502 -5.279 204 3HG2 ILE 23 3HG2 ILE 23 3.849 -11.263 -6.038 205 1HD1 ILE 23 1HD1 ILE 23 6.034 -9.657 -3.825 206 2HD1 ILE 23 2HD1 ILE 23 5.686 -8.042 -3.211 207 3HD1 ILE 23 3HD1 ILE 23 7.038 -8.292 -4.316 208 H GLY 24 H GLY 24 7.929 -11.327 -5.225 209 1HA GLY 24 2HA GLY 24 8.298 -13.419 -7.254 210 2HA GLY 24 1HA GLY 24 8.919 -13.455 -5.602 211 H LYS 25 H LYS 25 7.900 -15.794 -6.204 212 HA LYS 25 HA LYS 25 4.998 -15.929 -5.831 213 1HB LYS 25 2HB LYS 25 7.071 -18.131 -5.722 214 2HB LYS 25 1HB LYS 25 5.352 -18.306 -6.071 215 1HG LYS 25 2HG LYS 25 5.575 -17.140 -8.162 216 2HG LYS 25 1HG LYS 25 7.233 -16.666 -7.789 217 1HD LYS 25 2HD LYS 25 7.491 -19.324 -7.527 218 2HD LYS 25 1HD LYS 25 6.170 -19.290 -8.696 219 1HE LYS 25 2HE LYS 25 7.585 -17.657 -10.066 220 2HE LYS 25 1HE LYS 25 8.934 -18.082 -8.993 221 1HZ LYS 25 1HZ LYS 25 7.330 -19.906 -10.695 222 2HZ LYS 25 2HZ LYS 25 8.350 -20.462 -9.456 223 3HZ LYS 25 3HZ LYS 25 8.999 -19.614 -10.778 224 H GLY 26 H GLY 26 7.839 -16.085 -3.800 225 1HA GLY 26 2HA GLY 26 6.849 -17.530 -1.587 226 2HA GLY 26 1HA GLY 26 8.022 -16.217 -1.460 227 H GLY 27 H GLY 27 6.366 -14.124 -2.488 228 1HA GLY 27 2HA GLY 27 3.848 -13.651 -1.648 229 2HA GLY 27 1HA GLY 27 4.710 -13.640 -0.103 230 H ILE 28 H ILE 28 4.346 -11.331 0.162 231 HA ILE 28 HA ILE 28 5.627 -9.605 -1.900 232 HB ILE 28 HB ILE 28 3.968 -9.018 0.577 233 1HG1 ILE 28 2HG1 ILE 28 3.317 -9.022 -2.387 234 2HG1 ILE 28 1HG1 ILE 28 2.723 -10.168 -1.186 235 1HG2 ILE 28 1HG2 ILE 28 3.829 -6.731 -0.342 236 2HG2 ILE 28 2HG2 ILE 28 4.902 -7.192 -1.663 237 3HG2 ILE 28 3HG2 ILE 28 5.504 -7.168 -0.005 238 1HD1 ILE 28 1HD1 ILE 28 1.205 -8.704 -0.340 239 2HD1 ILE 28 2HD1 ILE 28 1.352 -7.959 -1.931 240 3HD1 ILE 28 3HD1 ILE 28 2.258 -7.311 -0.565 241 H ASN 29 H ASN 29 7.805 -9.258 -1.531 242 HA ASN 29 HA ASN 29 8.814 -9.279 1.288 243 1HB ASN 29 2HB ASN 29 9.729 -10.165 -1.319 244 2HB ASN 29 1HB ASN 29 10.927 -9.110 -0.569 245 1HD2 ASN 29 1HD2 ASN 29 9.107 -12.141 -0.111 246 2HD2 ASN 29 2HD2 ASN 29 10.121 -12.761 1.101 247 H GLU 30 H GLU 30 10.248 -7.519 1.981 248 HA GLU 30 HA GLU 30 9.408 -4.893 1.156 249 1HB GLU 30 2HB GLU 30 10.282 -5.376 3.385 250 2HB GLU 30 1HB GLU 30 11.829 -5.881 2.702 251 1HG GLU 30 2HG GLU 30 12.326 -3.651 1.947 252 2HG GLU 30 1HG GLU 30 10.684 -3.102 2.287 253 H ASN 31 H ASN 31 12.315 -6.848 0.357 254 HA ASN 31 HA ASN 31 13.819 -4.935 -1.050 255 1HB ASN 31 2HB ASN 31 14.502 -6.979 -2.454 256 2HB ASN 31 1HB ASN 31 14.686 -7.145 -0.710 257 1HD2 ASN 31 1HD2 ASN 31 13.939 -9.130 0.017 258 2HD2 ASN 31 2HD2 ASN 31 12.643 -9.997 -0.653 259 H MET 32 H MET 32 10.957 -6.735 -2.070 260 HA MET 32 HA MET 32 10.930 -5.727 -4.795 261 1HB MET 32 2HB MET 32 9.419 -7.482 -3.028 262 2HB MET 32 1HB MET 32 8.338 -6.466 -3.982 263 1HG MET 32 2HG MET 32 8.863 -8.557 -5.179 264 2HG MET 32 1HG MET 32 9.499 -7.160 -6.046 265 1HE MET 32 1HE MET 32 9.899 -9.921 -6.401 266 2HE MET 32 2HE MET 32 11.130 -10.816 -5.513 267 3HE MET 32 3HE MET 32 11.582 -9.904 -6.950 268 H ILE 33 H ILE 33 9.402 -4.814 -1.694 269 HA ILE 33 HA ILE 33 7.852 -2.655 -2.834 270 HB ILE 33 HB ILE 33 8.803 -3.221 -0.014 271 1HG1 ILE 33 2HG1 ILE 33 6.182 -3.705 -1.475 272 2HG1 ILE 33 1HG1 ILE 33 7.314 -4.943 -0.930 273 1HG2 ILE 33 1HG2 ILE 33 6.955 -1.610 0.599 274 2HG2 ILE 33 2HG2 ILE 33 6.795 -1.214 -1.112 275 3HG2 ILE 33 3HG2 ILE 33 8.292 -0.842 -0.259 276 1HD1 ILE 33 1HD1 ILE 33 6.282 -4.980 1.063 277 2HD1 ILE 33 2HD1 ILE 33 5.196 -3.691 0.545 278 3HD1 ILE 33 3HD1 ILE 33 6.734 -3.293 1.311 279 H LYS 34 H LYS 34 11.148 -2.991 -1.618 280 HA LYS 34 HA LYS 34 11.844 -0.288 -1.184 281 1HB LYS 34 2HB LYS 34 13.284 -2.712 -2.279 282 2HB LYS 34 1HB LYS 34 14.127 -1.178 -2.076 283 1HG LYS 34 2HG LYS 34 12.569 -1.833 0.287 284 2HG LYS 34 1HG LYS 34 13.708 -3.123 -0.101 285 1HD LYS 34 2HD LYS 34 14.968 -1.654 1.252 286 2HD LYS 34 1HD LYS 34 15.448 -1.225 -0.390 287 1HE LYS 34 2HE LYS 34 14.894 0.908 0.206 288 2HE LYS 34 1HE LYS 34 13.211 0.371 0.041 289 1HZ LYS 34 1HZ LYS 34 13.908 1.317 2.290 290 2HZ LYS 34 2HZ LYS 34 14.763 -0.137 2.506 291 3HZ LYS 34 3HZ LYS 34 13.078 -0.164 2.294 292 H GLN 35 H GLN 35 11.796 -2.237 -4.150 293 HA GLN 35 HA GLN 35 12.519 -0.116 -5.978 294 1HB GLN 35 2HB GLN 35 12.660 -2.592 -6.375 295 2HB GLN 35 1HB GLN 35 10.897 -2.653 -6.396 296 1HG GLN 35 2HG GLN 35 10.744 -1.597 -8.439 297 2HG GLN 35 1HG GLN 35 12.226 -0.675 -8.191 298 1HE2 GLN 35 1HE2 GLN 35 11.998 -4.195 -7.717 299 2HE2 GLN 35 2HE2 GLN 35 13.016 -4.606 -9.012 300 H ILE 36 H ILE 36 9.364 -1.661 -5.196 301 HA ILE 36 HA ILE 36 7.639 0.004 -6.669 302 HB ILE 36 HB ILE 36 7.332 -1.225 -3.922 303 1HG1 ILE 36 2HG1 ILE 36 6.138 -2.293 -6.441 304 2HG1 ILE 36 1HG1 ILE 36 7.854 -2.575 -6.141 305 1HG2 ILE 36 1HG2 ILE 36 5.296 -0.278 -3.827 306 2HG2 ILE 36 2HG2 ILE 36 4.866 -1.075 -5.341 307 3HG2 ILE 36 3HG2 ILE 36 5.591 0.533 -5.366 308 1HD1 ILE 36 1HD1 ILE 36 5.789 -4.118 -5.160 309 2HD1 ILE 36 2HD1 ILE 36 6.165 -3.063 -3.797 310 3HD1 ILE 36 3HD1 ILE 36 7.426 -4.073 -4.504 311 H ASP 37 H ASP 37 9.202 0.527 -3.558 312 HA ASP 37 HA ASP 37 7.855 2.745 -2.550 313 1HB ASP 37 2HB ASP 37 10.300 1.350 -2.181 314 2HB ASP 37 1HB ASP 37 10.708 3.065 -2.267 315 H ASP 38 H ASP 38 10.770 2.822 -4.651 316 HA ASP 38 HA ASP 38 10.512 5.679 -5.209 317 1HB ASP 38 2HB ASP 38 12.480 3.766 -5.308 318 2HB ASP 38 1HB ASP 38 12.092 3.955 -7.019 319 H THR 39 H THR 39 9.748 2.671 -6.932 320 HA THR 39 HA THR 39 8.991 3.691 -9.496 321 HB THR 39 HB THR 39 7.669 1.443 -7.986 322 HG1 THR 39 HG1 THR 39 9.525 0.254 -8.834 323 1HG2 THR 39 1HG2 THR 39 7.673 0.461 -10.217 324 2HG2 THR 39 2HG2 THR 39 8.525 1.864 -10.852 325 3HG2 THR 39 3HG2 THR 39 6.880 2.030 -10.239 326 H LEU 40 H LEU 40 6.878 3.019 -6.641 327 HA LEU 40 HA LEU 40 4.563 4.261 -7.897 328 1HB LEU 40 2HB LEU 40 3.483 3.694 -5.824 329 2HB LEU 40 1HB LEU 40 4.631 2.399 -6.149 330 HG LEU 40 HG LEU 40 6.251 3.958 -4.714 331 1HD1 LEU 40 1HD1 LEU 40 4.442 4.671 -2.792 332 2HD1 LEU 40 2HD1 LEU 40 3.531 5.015 -4.262 333 3HD1 LEU 40 3HD1 LEU 40 5.097 5.782 -3.996 334 1HD2 LEU 40 1HD2 LEU 40 4.613 2.710 -2.749 335 2HD2 LEU 40 2HD2 LEU 40 6.103 2.091 -3.460 336 3HD2 LEU 40 3HD2 LEU 40 4.547 1.703 -4.194 337 H GLU 41 H GLU 41 7.133 5.334 -5.759 338 HA GLU 41 HA GLU 41 5.878 7.790 -4.888 339 1HB GLU 41 2HB GLU 41 7.685 6.719 -3.667 340 2HB GLU 41 1HB GLU 41 8.747 6.819 -5.071 341 1HG GLU 41 2HG GLU 41 8.663 9.284 -4.962 342 2HG GLU 41 1HG GLU 41 7.601 9.185 -3.556 343 H ASN 42 H ASN 42 7.242 6.823 -7.892 344 HA ASN 42 HA ASN 42 7.932 9.609 -8.676 345 1HB ASN 42 2HB ASN 42 9.076 7.168 -9.135 346 2HB ASN 42 1HB ASN 42 8.116 7.368 -10.601 347 1HD2 ASN 42 1HD2 ASN 42 10.544 7.489 -11.436 348 2HD2 ASN 42 2HD2 ASN 42 11.205 9.050 -11.525 349 H ARG 43 H ARG 43 5.615 7.018 -9.388 350 HA ARG 43 HA ARG 43 4.180 8.882 -11.250 351 1HB ARG 43 2HB ARG 43 4.385 5.870 -11.020 352 2HB ARG 43 1HB ARG 43 3.184 6.656 -12.046 353 1HG ARG 43 2HG ARG 43 6.181 7.085 -12.236 354 2HG ARG 43 1HG ARG 43 5.232 6.064 -13.317 355 1HD ARG 43 2HD ARG 43 3.828 8.111 -13.864 356 2HD ARG 43 1HD ARG 43 5.036 9.073 -12.988 357 HE ARG 43 HE ARG 43 6.588 7.543 -14.662 358 1HH1 ARG 43 1HH2 ARG 43 6.050 10.525 -15.042 359 2HH1 ARG 43 2HH2 ARG 43 5.482 10.554 -16.678 360 1HH2 ARG 43 1HH1 ARG 43 4.886 7.139 -16.811 361 2HH2 ARG 43 2HH1 ARG 43 4.820 8.637 -17.680 362 H GLU 44 H GLU 44 1.687 7.907 -11.275 363 HA GLU 44 HA GLU 44 0.785 8.113 -8.422 364 1HB GLU 44 2HB GLU 44 -0.571 8.800 -11.047 365 2HB GLU 44 1HB GLU 44 -1.255 9.074 -9.444 366 1HG GLU 44 2HG GLU 44 1.373 10.251 -10.385 367 2HG GLU 44 1HG GLU 44 -0.165 11.113 -10.433 368 H LEU 45 H LEU 45 0.362 6.349 -11.470 369 HA LEU 45 HA LEU 45 -1.444 4.410 -10.081 370 1HB LEU 45 2HB LEU 45 -1.979 5.723 -12.282 371 2HB LEU 45 1HB LEU 45 -0.882 4.576 -13.040 372 HG LEU 45 HG LEU 45 -2.282 2.710 -12.472 373 1HD1 LEU 45 1HD1 LEU 45 -4.532 3.403 -11.224 374 2HD1 LEU 45 2HD1 LEU 45 -3.479 4.638 -10.530 375 3HD1 LEU 45 3HD1 LEU 45 -3.093 2.930 -10.326 376 1HD2 LEU 45 1HD2 LEU 45 -4.223 3.216 -13.714 377 2HD2 LEU 45 2HD2 LEU 45 -3.062 4.415 -14.277 378 3HD2 LEU 45 3HD2 LEU 45 -4.298 4.865 -13.107 379 H ILE 46 H ILE 46 -0.556 2.436 -9.572 380 HA ILE 46 HA ILE 46 2.007 1.676 -10.939 381 HB ILE 46 HB ILE 46 2.264 0.508 -8.530 382 1HG1 ILE 46 2HG1 ILE 46 0.870 3.062 -7.743 383 2HG1 ILE 46 1HG1 ILE 46 -0.042 1.560 -7.909 384 1HG2 ILE 46 1HG2 ILE 46 3.742 2.209 -9.687 385 2HG2 ILE 46 2HG2 ILE 46 3.708 2.325 -7.927 386 3HG2 ILE 46 3HG2 ILE 46 2.783 3.465 -8.905 387 1HD1 ILE 46 1HD1 ILE 46 2.167 0.764 -6.453 388 2HD1 ILE 46 2HD1 ILE 46 0.584 1.141 -5.772 389 3HD1 ILE 46 3HD1 ILE 46 1.844 2.374 -5.813 390 H LYS 47 H LYS 47 1.542 -0.072 -12.239 391 HA LYS 47 HA LYS 47 -0.479 -2.086 -11.410 392 1HB LYS 47 2HB LYS 47 1.410 -2.052 -13.790 393 2HB LYS 47 1HB LYS 47 -0.078 -2.982 -13.632 394 1HG LYS 47 2HG LYS 47 0.072 0.034 -13.638 395 2HG LYS 47 1HG LYS 47 -0.353 -0.955 -15.037 396 1HD LYS 47 2HD LYS 47 -2.462 -1.249 -14.293 397 2HD LYS 47 1HD LYS 47 -1.897 -1.711 -12.687 398 1HE LYS 47 2HE LYS 47 -1.663 1.169 -13.416 399 2HE LYS 47 1HE LYS 47 -3.278 0.547 -13.079 400 1HZ LYS 47 1HZ LYS 47 -2.825 0.488 -10.934 401 2HZ LYS 47 2HZ LYS 47 -1.300 1.164 -11.237 402 3HZ LYS 47 3HZ LYS 47 -1.491 -0.519 -11.199 403 H VAL 48 H VAL 48 0.463 -3.505 -9.790 404 HA VAL 48 HA VAL 48 3.316 -4.179 -10.169 405 HB VAL 48 HB VAL 48 1.398 -4.890 -7.905 406 1HG1 VAL 48 1HG1 VAL 48 3.918 -5.731 -8.396 407 2HG1 VAL 48 2HG1 VAL 48 3.214 -5.591 -6.782 408 3HG1 VAL 48 3HG1 VAL 48 4.232 -4.297 -7.418 409 1HG2 VAL 48 1HG2 VAL 48 1.915 -2.280 -8.602 410 2HG2 VAL 48 2HG2 VAL 48 3.233 -2.613 -7.483 411 3HG2 VAL 48 3HG2 VAL 48 1.565 -2.822 -6.963 412 H HIS 49 H HIS 49 3.944 -6.311 -10.646 413 HA HIS 49 HA HIS 49 1.805 -8.249 -11.354 414 1HB HIS 49 2HB HIS 49 4.086 -7.490 -12.581 415 2HB HIS 49 1HB HIS 49 4.719 -8.833 -11.629 416 HD1 HIS 49 HD1 HIS 49 3.115 -11.114 -11.845 417 HD2 HIS 49 HD2 HIS 49 2.975 -8.344 -14.958 418 HE1 HIS 49 HE1 HIS 49 2.161 -12.335 -13.847 419 H VAL 50 H VAL 50 1.282 -9.905 -9.942 420 HA VAL 50 HA VAL 50 3.151 -10.427 -7.657 421 HB VAL 50 HB VAL 50 0.157 -10.726 -8.039 422 1HG1 VAL 50 1HG1 VAL 50 0.516 -11.129 -5.391 423 2HG1 VAL 50 2HG1 VAL 50 1.998 -11.866 -6.001 424 3HG1 VAL 50 3HG1 VAL 50 0.429 -12.452 -6.553 425 1HG2 VAL 50 1HG2 VAL 50 0.524 -9.173 -5.851 426 2HG2 VAL 50 2HG2 VAL 50 0.393 -8.518 -7.482 427 3HG2 VAL 50 3HG2 VAL 50 1.980 -8.764 -6.756 428 H LEU 51 H LEU 51 4.117 -12.322 -7.518 429 HA LEU 51 HA LEU 51 3.553 -14.376 -9.488 430 1HB LEU 51 2HB LEU 51 5.650 -13.484 -7.719 431 2HB LEU 51 1HB LEU 51 5.543 -15.229 -7.790 432 HG LEU 51 HG LEU 51 7.066 -14.362 -9.537 433 1HD1 LEU 51 1HD1 LEU 51 5.033 -15.147 -11.393 434 2HD1 LEU 51 2HD1 LEU 51 4.821 -16.082 -9.912 435 3HD1 LEU 51 3HD1 LEU 51 6.366 -16.113 -10.762 436 1HD2 LEU 51 1HD2 LEU 51 4.884 -13.204 -11.144 437 2HD2 LEU 51 2HD2 LEU 51 6.524 -12.609 -10.883 438 3HD2 LEU 51 3HD2 LEU 51 5.268 -12.282 -9.690 439 H GLN 52 H GLN 52 1.672 -13.895 -7.119 440 HA GLN 52 HA GLN 52 1.949 -16.216 -5.390 441 1HB GLN 52 2HB GLN 52 0.790 -13.940 -4.991 442 2HB GLN 52 1HB GLN 52 -0.559 -14.615 -5.906 443 1HG GLN 52 2HG GLN 52 -0.938 -15.020 -3.535 444 2HG GLN 52 1HG GLN 52 -0.593 -16.558 -4.328 445 1HE2 GLN 52 1HE2 GLN 52 0.084 -17.234 -2.044 446 2HE2 GLN 52 2HE2 GLN 52 1.663 -16.867 -1.540 447 H ASN 53 H ASN 53 0.622 -15.674 -8.539 448 HA ASN 53 HA ASN 53 -0.397 -17.140 -10.072 449 1HB ASN 53 2HB ASN 53 0.108 -19.256 -7.959 450 2HB ASN 53 1HB ASN 53 -0.076 -19.499 -9.693 451 1HD2 ASN 53 1HD2 ASN 53 1.571 -17.541 -10.783 452 2HD2 ASN 53 2HD2 ASN 53 3.175 -17.783 -10.286 453 H ASN 54 H ASN 54 -1.413 -18.260 -6.805 454 HA ASN 54 HA ASN 54 -4.052 -18.988 -7.536 455 1HB ASN 54 2HB ASN 54 -2.858 -19.578 -5.450 456 2HB ASN 54 1HB ASN 54 -2.962 -17.900 -4.924 457 1HD2 ASN 54 1HD2 ASN 54 -4.539 -20.888 -4.730 458 2HD2 ASN 54 2HD2 ASN 54 -6.068 -20.336 -4.242 459 H PHE 55 H PHE 55 -6.060 -17.833 -7.297 460 HA PHE 55 HA PHE 55 -5.901 -15.000 -8.002 461 1HB PHE 55 2HB PHE 55 -8.118 -17.009 -7.541 462 2HB PHE 55 1HB PHE 55 -8.435 -15.337 -8.007 463 HD1 PHE 55 HD1 PHE 55 -7.550 -18.617 -9.168 464 HD2 PHE 55 HD2 PHE 55 -7.278 -14.438 -10.123 465 HE1 PHE 55 HE1 PHE 55 -7.094 -19.188 -11.539 466 HE2 PHE 55 HE2 PHE 55 -6.823 -15.010 -12.493 467 HZ PHE 55 HZ PHE 55 -6.731 -17.385 -13.200 468 H ASP 56 H ASP 56 -7.948 -16.561 -5.500 469 HA ASP 56 HA ASP 56 -8.431 -14.256 -3.994 470 1HB ASP 56 2HB ASP 56 -8.093 -17.092 -3.012 471 2HB ASP 56 1HB ASP 56 -9.026 -15.829 -2.209 472 H ASP 57 H ASP 57 -5.600 -16.148 -4.145 473 HA ASP 57 HA ASP 57 -4.402 -15.156 -1.668 474 1HB ASP 57 2HB ASP 57 -4.016 -17.283 -3.357 475 2HB ASP 57 1HB ASP 57 -2.679 -16.228 -3.815 476 H LYS 58 H LYS 58 -4.186 -14.415 -5.143 477 HA LYS 58 HA LYS 58 -2.053 -12.537 -5.073 478 1HB LYS 58 2HB LYS 58 -3.587 -13.622 -6.974 479 2HB LYS 58 1HB LYS 58 -4.469 -12.104 -6.795 480 1HG LYS 58 2HG LYS 58 -1.886 -11.208 -6.853 481 2HG LYS 58 1HG LYS 58 -1.790 -12.598 -7.933 482 1HD LYS 58 2HD LYS 58 -2.452 -10.950 -9.428 483 2HD LYS 58 1HD LYS 58 -4.022 -11.578 -8.925 484 1HE LYS 58 2HE LYS 58 -4.562 -9.664 -7.786 485 2HE LYS 58 1HE LYS 58 -2.900 -9.423 -7.212 486 1HZ LYS 58 1HZ LYS 58 -3.626 -9.151 -10.069 487 2HZ LYS 58 2HZ LYS 58 -2.228 -8.594 -9.281 488 3HZ LYS 58 3HZ LYS 58 -3.723 -7.838 -9.001 489 H LYS 59 H LYS 59 -5.548 -12.144 -4.509 490 HA LYS 59 HA LYS 59 -5.565 -9.301 -4.147 491 1HB LYS 59 2HB LYS 59 -7.573 -10.657 -4.502 492 2HB LYS 59 1HB LYS 59 -7.267 -11.549 -3.012 493 1HG LYS 59 2HG LYS 59 -7.397 -8.597 -2.741 494 2HG LYS 59 1HG LYS 59 -8.916 -9.400 -3.138 495 1HD LYS 59 2HD LYS 59 -8.464 -10.997 -1.228 496 2HD LYS 59 1HD LYS 59 -7.113 -9.958 -0.769 497 1HE LYS 59 2HE LYS 59 -8.692 -8.031 -0.578 498 2HE LYS 59 1HE LYS 59 -10.035 -9.136 -0.935 499 1HZ LYS 59 1HZ LYS 59 -9.451 -8.798 1.505 500 2HZ LYS 59 2HZ LYS 59 -8.060 -9.720 1.189 501 3HZ LYS 59 3HZ LYS 59 -9.601 -10.398 0.966 502 H GLU 60 H GLU 60 -5.024 -12.020 -1.911 503 HA GLU 60 HA GLU 60 -4.930 -10.591 0.543 504 1HB GLU 60 2HB GLU 60 -4.582 -13.172 -0.356 505 2HB GLU 60 1HB GLU 60 -2.948 -12.746 0.158 506 1HG GLU 60 2HG GLU 60 -3.581 -13.139 2.282 507 2HG GLU 60 1HG GLU 60 -4.658 -11.746 2.163 508 H LEU 61 H LEU 61 -2.408 -11.159 -1.921 509 HA LEU 61 HA LEU 61 -0.197 -10.034 -0.544 510 1HB LEU 61 2HB LEU 61 -1.050 -10.541 -3.347 511 2HB LEU 61 1HB LEU 61 0.233 -9.345 -3.149 512 HG LEU 61 HG LEU 61 1.108 -11.278 -1.447 513 1HD1 LEU 61 1HD1 LEU 61 -0.680 -12.555 -3.475 514 2HD1 LEU 61 2HD1 LEU 61 -0.357 -13.030 -1.807 515 3HD1 LEU 61 3HD1 LEU 61 0.827 -13.375 -3.068 516 1HD2 LEU 61 1HD2 LEU 61 2.855 -11.061 -2.861 517 2HD2 LEU 61 2HD2 LEU 61 1.800 -10.258 -4.022 518 3HD2 LEU 61 3HD2 LEU 61 2.001 -12.008 -4.076 519 H ALA 62 H ALA 62 -2.542 -8.425 -2.753 520 HA ALA 62 HA ALA 62 -1.611 -5.776 -2.501 521 1HB ALA 62 1HB ALA 62 -4.528 -6.562 -2.483 522 2HB ALA 62 2HB ALA 62 -3.513 -6.814 -3.905 523 3HB ALA 62 3HB ALA 62 -3.774 -5.183 -3.285 524 H GLU 63 H GLU 63 -3.356 -7.781 -0.190 525 HA GLU 63 HA GLU 63 -4.289 -5.764 1.580 526 1HB GLU 63 2HB GLU 63 -4.596 -8.365 1.492 527 2HB GLU 63 1HB GLU 63 -3.137 -8.388 2.482 528 1HG GLU 63 2HG GLU 63 -5.140 -6.449 3.403 529 2HG GLU 63 1HG GLU 63 -5.704 -8.120 3.454 530 H THR 64 H THR 64 -1.292 -7.415 1.270 531 HA THR 64 HA THR 64 0.056 -5.849 3.391 532 HB THR 64 HB THR 64 1.090 -7.942 1.446 533 HG1 THR 64 HG1 THR 64 0.277 -9.387 2.738 534 1HG2 THR 64 1HG2 THR 64 2.202 -7.455 4.178 535 2HG2 THR 64 2HG2 THR 64 2.626 -6.331 2.887 536 3HG2 THR 64 3HG2 THR 64 3.012 -8.045 2.727 537 H LEU 65 H LEU 65 0.141 -6.289 -0.138 538 HA LEU 65 HA LEU 65 2.314 -4.487 -0.679 539 1HB LEU 65 2HB LEU 65 0.324 -6.086 -2.060 540 2HB LEU 65 1HB LEU 65 0.507 -4.521 -2.850 541 HG LEU 65 HG LEU 65 2.828 -6.326 -2.118 542 1HD1 LEU 65 1HD1 LEU 65 2.929 -6.655 -4.635 543 2HD1 LEU 65 2HD1 LEU 65 1.311 -5.958 -4.709 544 3HD1 LEU 65 3HD1 LEU 65 1.584 -7.461 -3.827 545 1HD2 LEU 65 1HD2 LEU 65 3.788 -4.726 -4.003 546 2HD2 LEU 65 2HD2 LEU 65 3.756 -4.223 -2.313 547 3HD2 LEU 65 3HD2 LEU 65 2.506 -3.661 -3.424 548 H SER 66 H SER 66 -1.251 -4.033 -0.901 549 HA SER 66 HA SER 66 -1.211 -1.258 -1.537 550 1HB SER 66 2HB SER 66 -3.146 -2.887 -1.597 551 2HB SER 66 1HB SER 66 -3.231 -2.756 0.157 552 HG SER 66 HG SER 66 -3.295 -0.512 -1.571 553 H GLU 67 H GLU 67 -1.462 -2.878 1.658 554 HA GLU 67 HA GLU 67 -1.506 -0.475 3.221 555 1HB GLU 67 2HB GLU 67 -0.644 -3.334 3.736 556 2HB GLU 67 1HB GLU 67 -0.755 -2.125 5.014 557 1HG GLU 67 2HG GLU 67 -3.044 -2.891 3.178 558 2HG GLU 67 1HG GLU 67 -2.826 -3.508 4.816 559 H ALA 68 H ALA 68 1.161 -2.472 1.989 560 HA ALA 68 HA ALA 68 3.208 -0.952 3.435 561 1HB ALA 68 1HB ALA 68 4.698 -2.417 2.032 562 2HB ALA 68 2HB ALA 68 3.256 -3.021 1.216 563 3HB ALA 68 3HB ALA 68 3.485 -3.320 2.940 564 H THR 69 H THR 69 1.643 -0.803 0.297 565 HA THR 69 HA THR 69 3.696 0.908 -0.915 566 HB THR 69 HB THR 69 1.848 1.060 -2.691 567 HG1 THR 69 HG1 THR 69 0.249 0.561 -0.949 568 1HG2 THR 69 1HG2 THR 69 3.257 -0.612 -3.332 569 2HG2 THR 69 2HG2 THR 69 1.933 -1.661 -2.826 570 3HG2 THR 69 3HG2 THR 69 3.276 -1.345 -1.727 571 H ARG 70 H ARG 70 1.540 1.544 1.521 572 HA ARG 70 HA ARG 70 0.521 3.534 2.308 573 1HB ARG 70 2HB ARG 70 2.957 4.214 0.758 574 2HB ARG 70 1HB ARG 70 1.848 5.558 1.035 575 1HG ARG 70 2HG ARG 70 2.515 5.717 3.176 576 2HG ARG 70 1HG ARG 70 2.098 4.026 3.457 577 1HD ARG 70 2HD ARG 70 4.323 3.413 2.369 578 2HD ARG 70 1HD ARG 70 4.740 5.136 2.470 579 HE ARG 70 HE ARG 70 4.726 4.972 4.865 580 1HH1 ARG 70 1HH1 ARG 70 2.363 3.234 5.268 581 2HH1 ARG 70 2HH1 ARG 70 3.068 1.745 5.804 582 1HH2 ARG 70 1HH2 ARG 70 6.253 2.553 4.694 583 2HH2 ARG 70 2HH2 ARG 70 5.273 1.360 5.479 584 H SER 71 H SER 71 -0.417 2.196 -0.212 585 HA SER 71 HA SER 71 -1.916 4.508 -1.390 586 1HB SER 71 2HB SER 71 -0.869 2.070 -2.857 587 2HB SER 71 1HB SER 71 -1.550 3.532 -3.566 588 HG SER 71 HG SER 71 0.971 3.032 -2.952 589 H GLU 72 H GLU 72 -4.036 3.819 -2.280 590 HA GLU 72 HA GLU 72 -5.119 1.446 -0.825 591 1HB GLU 72 2HB GLU 72 -6.032 4.136 -1.553 592 2HB GLU 72 1HB GLU 72 -7.220 2.894 -1.956 593 1HG GLU 72 2HG GLU 72 -7.544 3.710 0.352 594 2HG GLU 72 1HG GLU 72 -7.086 2.009 0.342 595 H LEU 73 H LEU 73 -5.925 -0.325 -2.019 596 HA LEU 73 HA LEU 73 -5.146 -0.721 -4.668 597 1HB LEU 73 2HB LEU 73 -6.530 -2.052 -2.600 598 2HB LEU 73 1HB LEU 73 -7.571 -2.146 -4.014 599 HG LEU 73 HG LEU 73 -4.758 -3.140 -3.670 600 1HD1 LEU 73 1HD1 LEU 73 -7.276 -4.408 -4.834 601 2HD1 LEU 73 2HD1 LEU 73 -6.800 -4.564 -3.143 602 3HD1 LEU 73 3HD1 LEU 73 -5.784 -5.246 -4.413 603 1HD2 LEU 73 1HD2 LEU 73 -4.288 -2.979 -5.892 604 2HD2 LEU 73 2HD2 LEU 73 -5.676 -1.914 -6.041 605 3HD2 LEU 73 3HD2 LEU 73 -5.859 -3.630 -6.333 606 H VAL 74 H VAL 74 -5.943 -0.099 -6.548 607 HA VAL 74 HA VAL 74 -8.596 1.224 -6.677 608 HB VAL 74 HB VAL 74 -5.936 1.543 -7.850 609 1HG1 VAL 74 1HG1 VAL 74 -7.227 0.418 -9.788 610 2HG1 VAL 74 2HG1 VAL 74 -6.412 1.947 -10.107 611 3HG1 VAL 74 3HG1 VAL 74 -8.154 1.915 -9.841 612 1HG2 VAL 74 1HG2 VAL 74 -7.266 3.252 -6.663 613 2HG2 VAL 74 2HG2 VAL 74 -8.430 3.241 -7.988 614 3HG2 VAL 74 3HG2 VAL 74 -6.776 3.787 -8.272 615 H GLN 75 H GLN 75 -6.695 -1.569 -7.634 616 HA GLN 75 HA GLN 75 -8.814 -3.317 -8.071 617 1HB GLN 75 2HB GLN 75 -8.450 -1.402 -10.227 618 2HB GLN 75 1HB GLN 75 -8.233 -3.051 -10.815 619 1HG GLN 75 2HG GLN 75 -10.459 -3.266 -9.180 620 2HG GLN 75 1HG GLN 75 -10.676 -1.691 -9.945 621 1HE2 GLN 75 1HE2 GLN 75 -9.745 -5.059 -10.876 622 2HE2 GLN 75 2HE2 GLN 75 -10.553 -5.019 -12.368 623 H VAL 76 H VAL 76 -8.309 -5.198 -9.353 624 HA VAL 76 HA VAL 76 -5.377 -5.768 -9.296 625 HB VAL 76 HB VAL 76 -7.822 -6.930 -8.071 626 1HG1 VAL 76 1HG1 VAL 76 -5.582 -8.597 -9.264 627 2HG1 VAL 76 2HG1 VAL 76 -7.320 -8.878 -9.358 628 3HG1 VAL 76 3HG1 VAL 76 -6.461 -9.161 -7.843 629 1HG2 VAL 76 1HG2 VAL 76 -6.133 -5.770 -6.735 630 2HG2 VAL 76 2HG2 VAL 76 -4.886 -6.881 -7.301 631 3HG2 VAL 76 3HG2 VAL 76 -6.194 -7.471 -6.275 632 H ILE 77 H ILE 77 -4.896 -5.929 -11.532 633 HA ILE 77 HA ILE 77 -6.926 -7.113 -13.335 634 HB ILE 77 HB ILE 77 -4.517 -5.350 -13.487 635 1HG1 ILE 77 2HG1 ILE 77 -5.992 -4.032 -14.911 636 2HG1 ILE 77 1HG1 ILE 77 -7.157 -5.354 -14.983 637 1HG2 ILE 77 1HG2 ILE 77 -4.551 -5.630 -16.016 638 2HG2 ILE 77 2HG2 ILE 77 -5.444 -7.127 -15.748 639 3HG2 ILE 77 3HG2 ILE 77 -3.809 -6.951 -15.111 640 1HD1 ILE 77 1HD1 ILE 77 -7.434 -3.342 -13.247 641 2HD1 ILE 77 2HD1 ILE 77 -6.365 -4.355 -12.281 642 3HD1 ILE 77 3HD1 ILE 77 -7.915 -4.988 -12.834 643 H GLY 78 H GLY 78 -6.831 -9.351 -13.151 644 1HA GLY 78 2HA GLY 78 -5.938 -11.526 -13.191 645 2HA GLY 78 1HA GLY 78 -4.884 -10.873 -14.446 646 H SER 79 H SER 79 -2.760 -11.095 -14.007 647 HA SER 79 HA SER 79 -1.875 -11.652 -11.242 648 1HB SER 79 2HB SER 79 -0.303 -11.484 -13.828 649 2HB SER 79 1HB SER 79 0.173 -12.313 -12.349 650 HG SER 79 HG SER 79 -0.753 -13.951 -13.306 651 H MET 80 H MET 80 -2.695 -8.856 -12.463 652 HA MET 80 HA MET 80 -0.228 -7.417 -11.562 653 1HB MET 80 2HB MET 80 -2.161 -7.049 -13.814 654 2HB MET 80 1HB MET 80 -1.432 -5.606 -13.107 655 1HG MET 80 2HG MET 80 0.585 -6.045 -14.032 656 2HG MET 80 1HG MET 80 0.516 -7.745 -13.568 657 1HE MET 80 1HE MET 80 0.290 -5.112 -15.952 658 2HE MET 80 2HE MET 80 -1.445 -5.265 -16.210 659 3HE MET 80 3HE MET 80 -0.326 -5.744 -17.484 660 H ILE 81 H ILE 81 -0.566 -5.820 -9.962 661 HA ILE 81 HA ILE 81 -3.369 -5.608 -8.936 662 HB ILE 81 HB ILE 81 -0.646 -5.065 -7.694 663 1HG1 ILE 81 2HG1 ILE 81 -2.673 -7.290 -7.294 664 2HG1 ILE 81 1HG1 ILE 81 -1.111 -7.450 -8.097 665 1HG2 ILE 81 1HG2 ILE 81 -1.760 -4.580 -5.665 666 2HG2 ILE 81 2HG2 ILE 81 -3.289 -5.237 -6.248 667 3HG2 ILE 81 3HG2 ILE 81 -2.692 -3.704 -6.879 668 1HD1 ILE 81 1HD1 ILE 81 -1.142 -8.194 -5.672 669 2HD1 ILE 81 2HD1 ILE 81 -1.410 -6.507 -5.236 670 3HD1 ILE 81 3HD1 ILE 81 0.076 -6.978 -6.060 671 H VAL 82 H VAL 82 -4.392 -3.731 -9.342 672 HA VAL 82 HA VAL 82 -2.930 -1.354 -10.328 673 HB VAL 82 HB VAL 82 -5.901 -2.016 -10.042 674 1HG1 VAL 82 1HG1 VAL 82 -4.552 0.069 -11.779 675 2HG1 VAL 82 2HG1 VAL 82 -5.147 0.432 -10.168 676 3HG1 VAL 82 3HG1 VAL 82 -6.269 -0.096 -11.423 677 1HG2 VAL 82 1HG2 VAL 82 -4.698 -3.542 -11.579 678 2HG2 VAL 82 2HG2 VAL 82 -3.976 -2.163 -12.409 679 3HG2 VAL 82 3HG2 VAL 82 -5.717 -2.430 -12.495 680 H ILE 83 H ILE 83 -2.223 0.048 -8.691 681 HA ILE 83 HA ILE 83 -4.231 0.665 -6.551 682 HB ILE 83 HB ILE 83 -1.224 0.298 -6.286 683 1HG1 ILE 83 2HG1 ILE 83 -3.496 -1.400 -5.226 684 2HG1 ILE 83 1HG1 ILE 83 -2.595 -1.783 -6.686 685 1HG2 ILE 83 1HG2 ILE 83 -3.355 0.835 -4.194 686 2HG2 ILE 83 2HG2 ILE 83 -2.071 1.941 -4.680 687 3HG2 ILE 83 3HG2 ILE 83 -1.673 0.440 -3.845 688 1HD1 ILE 83 1HD1 ILE 83 -1.925 -2.374 -3.973 689 2HD1 ILE 83 2HD1 ILE 83 -0.714 -1.262 -4.613 690 3HD1 ILE 83 3HD1 ILE 83 -1.032 -2.791 -5.435 691 H TYR 84 H TYR 84 -4.118 2.782 -5.684 692 HA TYR 84 HA TYR 84 -2.655 4.747 -7.409 693 1HB TYR 84 2HB TYR 84 -4.984 4.981 -7.787 694 2HB TYR 84 1HB TYR 84 -5.378 4.671 -6.099 695 HD1 TYR 84 HD1 TYR 84 -6.200 6.526 -4.971 696 HD2 TYR 84 HD2 TYR 84 -3.159 7.085 -7.955 697 HE1 TYR 84 HE1 TYR 84 -6.195 8.961 -4.509 698 HE2 TYR 84 HE2 TYR 84 -3.155 9.520 -7.493 699 HH TYR 84 HH TYR 84 -3.968 10.933 -5.083 700 H ARG 85 H ARG 85 -0.919 5.432 -6.236 701 HA ARG 85 HA ARG 85 -0.854 5.473 -3.318 702 1HB ARG 85 2HB ARG 85 1.415 6.315 -3.705 703 2HB ARG 85 1HB ARG 85 1.083 4.982 -4.811 704 1HG ARG 85 2HG ARG 85 1.904 6.484 -6.347 705 2HG ARG 85 1HG ARG 85 0.223 7.019 -6.345 706 1HD ARG 85 2HD ARG 85 1.044 9.070 -5.791 707 2HD ARG 85 1HD ARG 85 1.350 8.384 -4.183 708 HE ARG 85 HE ARG 85 3.442 7.683 -6.070 709 1HH1 ARG 85 1HH2 ARG 85 2.853 9.107 -3.139 710 2HH1 ARG 85 2HH2 ARG 85 4.107 10.297 -3.243 711 1HH2 ARG 85 1HH1 ARG 85 4.802 9.666 -6.579 712 2HH2 ARG 85 2HH1 ARG 85 5.208 10.613 -5.188 713 H GLU 86 H GLU 86 -1.053 7.263 -1.982 714 HA GLU 86 HA GLU 86 -2.750 9.357 -2.390 715 1HB GLU 86 2HB GLU 86 -1.697 10.377 -0.497 716 2HB GLU 86 1HB GLU 86 -1.449 8.642 -0.319 717 1HG GLU 86 2HG GLU 86 0.806 8.959 -1.453 718 2HG GLU 86 1HG GLU 86 0.549 10.698 -1.297 719 H SER 87 H SER 87 -2.276 11.765 -2.625 720 HA SER 87 HA SER 87 -0.536 12.166 -4.986 721 1HB SER 87 2HB SER 87 -2.738 13.778 -3.671 722 2HB SER 87 1HB SER 87 -1.860 14.306 -5.103 723 HG SER 87 HG SER 87 -3.946 13.042 -5.317 724 H LYS 88 H LYS 88 1.103 13.694 -4.986 725 HA LYS 88 HA LYS 88 1.577 15.247 -2.517 726 1HB LYS 88 2HB LYS 88 2.954 12.835 -3.323 727 2HB LYS 88 1HB LYS 88 4.082 14.189 -3.395 728 1HG LYS 88 2HG LYS 88 3.170 14.821 -1.058 729 2HG LYS 88 1HG LYS 88 2.508 13.186 -1.023 730 1HD LYS 88 2HD LYS 88 4.541 12.590 -0.207 731 2HD LYS 88 1HD LYS 88 5.085 12.736 -1.879 732 1HE LYS 88 2HE LYS 88 6.609 14.128 -0.746 733 2HE LYS 88 1HE LYS 88 5.366 15.293 -1.249 734 1HZ LYS 88 1HZ LYS 88 5.199 13.806 1.308 735 2HZ LYS 88 2HZ LYS 88 4.327 15.186 0.837 736 3HZ LYS 88 3HZ LYS 88 5.984 15.306 1.194 737 H GLU 89 H GLU 89 2.774 14.317 -5.729 738 HA GLU 89 HA GLU 89 3.494 17.157 -6.299 739 1HB GLU 89 2HB GLU 89 4.211 14.436 -7.406 740 2HB GLU 89 1HB GLU 89 4.489 15.886 -8.370 741 1HG GLU 89 2HG GLU 89 5.718 16.825 -6.325 742 2HG GLU 89 1HG GLU 89 5.682 15.182 -5.685 743 H ASN 90 H ASN 90 1.943 18.242 -7.401 744 HA ASN 90 HA ASN 90 -0.530 17.246 -8.281 745 1HB ASN 90 2HB ASN 90 -0.592 19.417 -9.560 746 2HB ASN 90 1HB ASN 90 -0.085 19.599 -7.880 747 1HD2 ASN 90 1HD2 ASN 90 0.894 21.686 -8.960 748 2HD2 ASN 90 2HD2 ASN 90 2.471 21.540 -9.568 749 H LYS 91 H LYS 91 -0.038 15.305 -9.447 750 HA LYS 91 HA LYS 91 1.183 15.581 -12.145 751 1HB LYS 91 2HB LYS 91 0.853 13.538 -10.097 752 2HB LYS 91 1HB LYS 91 0.264 12.957 -11.654 753 1HG LYS 91 2HG LYS 91 2.808 14.426 -11.820 754 2HG LYS 91 1HG LYS 91 2.902 12.939 -10.877 755 1HD LYS 91 2HD LYS 91 2.593 11.617 -12.700 756 2HD LYS 91 1HD LYS 91 1.367 12.687 -13.382 757 1HE LYS 91 2HE LYS 91 3.226 14.278 -14.028 758 2HE LYS 91 1HE LYS 91 4.379 13.018 -13.546 759 1HZ LYS 91 1HZ LYS 91 3.842 12.796 -15.886 760 2HZ LYS 91 2HZ LYS 91 2.183 12.714 -15.528 761 3HZ LYS 91 3HZ LYS 91 3.226 11.471 -15.024 762 H GLU 92 H GLU 92 -0.151 14.805 -14.022 763 HA GLU 92 HA GLU 92 -2.850 15.797 -13.961 764 1HB GLU 92 2HB GLU 92 -1.097 15.326 -15.887 765 2HB GLU 92 1HB GLU 92 -1.864 13.737 -15.924 766 1HG GLU 92 2HG GLU 92 -4.099 15.011 -16.050 767 2HG GLU 92 1HG GLU 92 -3.127 16.432 -16.433 768 H ILE 93 H ILE 93 -3.531 14.596 -11.988 769 HA ILE 93 HA ILE 93 -4.186 11.721 -12.444 770 HB ILE 93 HB ILE 93 -3.538 13.516 -10.120 771 1HG1 ILE 93 2HG1 ILE 93 -1.886 12.001 -11.260 772 2HG1 ILE 93 1HG1 ILE 93 -2.069 11.689 -9.533 773 1HG2 ILE 93 1HG2 ILE 93 -4.394 11.810 -8.518 774 2HG2 ILE 93 2HG2 ILE 93 -5.147 10.944 -9.858 775 3HG2 ILE 93 3HG2 ILE 93 -5.703 12.562 -9.431 776 1HD1 ILE 93 1HD1 ILE 93 -2.200 9.730 -11.413 777 2HD1 ILE 93 2HD1 ILE 93 -3.901 10.173 -11.314 778 3HD1 ILE 93 3HD1 ILE 93 -3.047 9.640 -9.868 779 H GLU 94 H GLU 94 -6.327 11.043 -12.286 780 HA GLU 94 HA GLU 94 -8.416 13.187 -12.198 781 1HB GLU 94 2HB GLU 94 -9.851 11.278 -13.060 782 2HB GLU 94 1HB GLU 94 -8.567 11.799 -14.148 783 1HG GLU 94 2HG GLU 94 -7.771 9.702 -12.237 784 2HG GLU 94 1HG GLU 94 -9.006 9.202 -13.393 785 H LEU 95 H LEU 95 -10.021 13.100 -10.644 786 HA LEU 95 HA LEU 95 -10.478 10.743 -9.096 787 1HB LEU 95 2HB LEU 95 -8.188 11.687 -8.358 788 2HB LEU 95 1HB LEU 95 -9.102 12.986 -7.598 789 HG LEU 95 HG LEU 95 -8.562 11.122 -6.027 790 1HD1 LEU 95 1HD1 LEU 95 -10.627 12.586 -5.833 791 2HD1 LEU 95 2HD1 LEU 95 -10.731 11.024 -5.023 792 3HD1 LEU 95 3HD1 LEU 95 -11.531 11.267 -6.574 793 1HD2 LEU 95 1HD2 LEU 95 -10.621 9.377 -7.252 794 2HD2 LEU 95 2HD2 LEU 95 -9.117 8.946 -6.438 795 3HD2 LEU 95 3HD2 LEU 95 -9.089 9.472 -8.121 796 HA PRO 96 HA PRO 96 -13.726 14.093 -9.172 797 1HB PRO 96 2HB PRO 96 -15.739 12.401 -9.946 798 2HB PRO 96 1HB PRO 96 -14.682 13.245 -11.098 799 1HG PRO 96 2HG PRO 96 -14.488 10.450 -10.058 800 2HG PRO 96 1HG PRO 96 -14.321 11.043 -11.719 801 1HD PRO 96 2HD PRO 96 -12.172 10.457 -10.240 802 2HD PRO 96 1HD PRO 96 -12.171 11.840 -11.361 Start of MODEL 8 1 1H MET 1 1HT MET 1 -7.958 10.615 0.594 2 2H MET 1 2HT MET 1 -7.227 10.932 -0.906 3 3H MET 1 3HT MET 1 -6.268 10.718 0.478 4 HA MET 1 HA MET 1 -6.038 8.634 -0.425 5 1HB MET 1 2HB MET 1 -8.713 8.523 1.003 6 2HB MET 1 1HB MET 1 -7.585 7.184 0.807 7 1HG MET 1 2HG MET 1 -6.200 7.937 2.457 8 2HG MET 1 1HG MET 1 -6.445 9.629 2.032 9 1HE MET 1 1HE MET 1 -9.673 7.075 3.982 10 2HE MET 1 2HE MET 1 -8.007 6.553 4.213 11 3HE MET 1 3HE MET 1 -8.650 6.724 2.581 12 H LEU 2 H LEU 2 -7.974 6.687 -1.030 13 HA LEU 2 HA LEU 2 -9.238 7.823 -3.482 14 1HB LEU 2 2HB LEU 2 -7.276 6.288 -3.799 15 2HB LEU 2 1HB LEU 2 -8.248 5.018 -3.047 16 HG LEU 2 HG LEU 2 -9.576 6.547 -5.213 17 1HD1 LEU 2 1HD1 LEU 2 -7.426 6.272 -6.289 18 2HD1 LEU 2 2HD1 LEU 2 -8.496 5.030 -6.928 19 3HD1 LEU 2 3HD1 LEU 2 -7.289 4.611 -5.712 20 1HD2 LEU 2 1HD2 LEU 2 -10.197 4.419 -3.715 21 2HD2 LEU 2 2HD2 LEU 2 -9.411 3.591 -5.058 22 3HD2 LEU 2 3HD2 LEU 2 -10.799 4.633 -5.356 23 H THR 3 H THR 3 -11.254 7.373 -3.930 24 HA THR 3 HA THR 3 -12.812 5.862 -1.891 25 HB THR 3 HB THR 3 -12.761 8.522 -2.735 26 HG1 THR 3 HG1 THR 3 -13.421 7.644 -0.718 27 1HG2 THR 3 1HG2 THR 3 -15.390 7.268 -3.593 28 2HG2 THR 3 2HG2 THR 3 -14.162 7.870 -4.706 29 3HG2 THR 3 3HG2 THR 3 -14.987 8.985 -3.618 30 H GLY 4 H GLY 4 -14.915 5.016 -2.823 31 1HA GLY 4 2HA GLY 4 -14.588 3.047 -4.718 32 2HA GLY 4 1HA GLY 4 -16.147 3.814 -4.439 33 H LYS 5 H LYS 5 -16.142 6.179 -5.572 34 HA LYS 5 HA LYS 5 -16.203 5.727 -8.368 35 1HB LYS 5 2HB LYS 5 -17.415 7.475 -7.104 36 2HB LYS 5 1HB LYS 5 -15.890 8.323 -6.841 37 1HG LYS 5 2HG LYS 5 -16.466 9.424 -8.756 38 2HG LYS 5 1HG LYS 5 -15.807 7.987 -9.540 39 1HD LYS 5 2HD LYS 5 -17.960 7.024 -9.834 40 2HD LYS 5 1HD LYS 5 -18.702 8.148 -8.695 41 1HE LYS 5 2HE LYS 5 -17.426 9.690 -10.749 42 2HE LYS 5 1HE LYS 5 -18.451 8.462 -11.518 43 1HZ LYS 5 1HZ LYS 5 -19.905 10.211 -10.999 44 2HZ LYS 5 2HZ LYS 5 -19.214 10.458 -9.467 45 3HZ LYS 5 3HZ LYS 5 -20.155 9.075 -9.765 46 H GLN 6 H GLN 6 -13.566 7.069 -6.359 47 HA GLN 6 HA GLN 6 -11.959 8.019 -8.528 48 1HB GLN 6 2HB GLN 6 -11.345 7.007 -5.746 49 2HB GLN 6 1HB GLN 6 -10.179 7.866 -6.751 50 1HG GLN 6 2HG GLN 6 -11.946 9.716 -6.932 51 2HG GLN 6 1HG GLN 6 -12.778 8.901 -5.606 52 1HE2 GLN 6 1HE2 GLN 6 -12.329 10.207 -3.804 53 2HE2 GLN 6 2HE2 GLN 6 -10.769 10.677 -3.328 54 H LYS 7 H LYS 7 -12.084 4.956 -6.749 55 HA LYS 7 HA LYS 7 -9.907 3.576 -7.955 56 1HB LYS 7 2HB LYS 7 -10.979 2.724 -5.995 57 2HB LYS 7 1HB LYS 7 -12.572 2.795 -6.741 58 1HG LYS 7 2HG LYS 7 -10.550 1.108 -8.111 59 2HG LYS 7 1HG LYS 7 -11.147 0.513 -6.561 60 1HD LYS 7 2HD LYS 7 -13.112 -0.086 -7.475 61 2HD LYS 7 1HD LYS 7 -13.329 1.521 -8.175 62 1HE LYS 7 2HE LYS 7 -11.920 0.920 -10.085 63 2HE LYS 7 1HE LYS 7 -11.599 -0.671 -9.373 64 1HZ LYS 7 1HZ LYS 7 -13.873 -1.242 -9.493 65 2HZ LYS 7 2HZ LYS 7 -13.494 -0.583 -11.013 66 3HZ LYS 7 3HZ LYS 7 -14.341 0.343 -9.868 67 H ARG 8 H ARG 8 -13.362 3.691 -8.900 68 HA ARG 8 HA ARG 8 -13.310 1.882 -11.020 69 1HB ARG 8 2HB ARG 8 -15.297 3.018 -10.087 70 2HB ARG 8 1HB ARG 8 -14.761 4.543 -10.793 71 1HG ARG 8 2HG ARG 8 -16.225 3.822 -12.443 72 2HG ARG 8 1HG ARG 8 -14.720 3.113 -13.028 73 1HD ARG 8 2HD ARG 8 -15.278 0.959 -12.050 74 2HD ARG 8 1HD ARG 8 -16.713 1.647 -11.263 75 HE ARG 8 HE ARG 8 -16.533 1.934 -14.207 76 1HH1 ARG 8 1HH1 ARG 8 -17.032 -0.880 -12.831 77 2HH1 ARG 8 2HH1 ARG 8 -18.747 -0.983 -13.042 78 1HH2 ARG 8 1HH2 ARG 8 -19.111 2.360 -13.892 79 2HH2 ARG 8 2HH2 ARG 8 -19.925 0.851 -13.644 80 H TYR 9 H TYR 9 -12.812 5.431 -11.326 81 HA TYR 9 HA TYR 9 -12.111 5.429 -14.099 82 1HB TYR 9 2HB TYR 9 -11.624 7.194 -11.715 83 2HB TYR 9 1HB TYR 9 -10.840 7.578 -13.248 84 HD1 TYR 9 HD1 TYR 9 -12.004 8.832 -14.848 85 HD2 TYR 9 HD2 TYR 9 -14.210 6.669 -11.863 86 HE1 TYR 9 HE1 TYR 9 -14.117 9.827 -15.685 87 HE2 TYR 9 HE2 TYR 9 -16.320 7.664 -12.699 88 HH TYR 9 HH TYR 9 -17.199 8.675 -14.717 89 H LEU 10 H LEU 10 -10.006 5.661 -11.252 90 HA LEU 10 HA LEU 10 -7.565 5.489 -12.701 91 1HB LEU 10 2HB LEU 10 -8.484 5.912 -10.085 92 2HB LEU 10 1HB LEU 10 -7.436 4.494 -9.982 93 HG LEU 10 HG LEU 10 -6.670 7.003 -11.458 94 1HD1 LEU 10 1HD1 LEU 10 -6.207 7.960 -9.461 95 2HD1 LEU 10 2HD1 LEU 10 -5.078 6.648 -9.134 96 3HD1 LEU 10 3HD1 LEU 10 -6.754 6.517 -8.607 97 1HD2 LEU 10 1HD2 LEU 10 -4.379 5.816 -10.898 98 2HD2 LEU 10 2HD2 LEU 10 -5.366 5.217 -12.233 99 3HD2 LEU 10 3HD2 LEU 10 -5.400 4.396 -10.673 100 H ARG 11 H ARG 11 -9.634 2.971 -11.324 101 HA ARG 11 HA ARG 11 -7.811 0.816 -11.357 102 1HB ARG 11 2HB ARG 11 -10.024 0.671 -10.374 103 2HB ARG 11 1HB ARG 11 -10.786 0.994 -11.932 104 1HG ARG 11 2HG ARG 11 -8.933 -1.351 -11.695 105 2HG ARG 11 1HG ARG 11 -10.566 -1.490 -11.040 106 1HD ARG 11 2HD ARG 11 -11.141 -0.382 -13.450 107 2HD ARG 11 1HD ARG 11 -9.685 -1.306 -13.871 108 HE ARG 11 HE ARG 11 -11.253 -2.997 -12.251 109 1HH1 ARG 11 1HH2 ARG 11 -10.391 -2.909 -15.347 110 2HH1 ARG 11 2HH2 ARG 11 -11.902 -3.398 -16.038 111 1HH2 ARG 11 1HH1 ARG 11 -13.690 -2.956 -13.101 112 2HH2 ARG 11 2HH1 ARG 11 -13.772 -3.420 -14.767 113 H SER 12 H SER 12 -9.740 2.257 -13.965 114 HA SER 12 HA SER 12 -8.933 0.283 -15.963 115 1HB SER 12 2HB SER 12 -10.311 2.973 -15.964 116 2HB SER 12 1HB SER 12 -9.976 2.106 -17.461 117 HG SER 12 HG SER 12 -12.077 1.714 -16.395 118 H LEU 13 H LEU 13 -7.802 3.500 -14.944 119 HA LEU 13 HA LEU 13 -6.105 4.144 -17.124 120 1HB LEU 13 2HB LEU 13 -6.074 4.638 -14.146 121 2HB LEU 13 1HB LEU 13 -4.826 5.310 -15.182 122 HG LEU 13 HG LEU 13 -7.215 6.529 -14.573 123 1HD1 LEU 13 1HD1 LEU 13 -6.260 8.231 -15.722 124 2HD1 LEU 13 2HD1 LEU 13 -6.118 7.278 -17.200 125 3HD1 LEU 13 3HD1 LEU 13 -4.907 7.117 -15.927 126 1HD2 LEU 13 1HD2 LEU 13 -7.481 5.412 -17.380 127 2HD2 LEU 13 2HD2 LEU 13 -8.533 6.617 -16.643 128 3HD2 LEU 13 3HD2 LEU 13 -8.496 4.975 -16.005 129 H ALA 14 H ALA 14 -5.265 2.419 -14.113 130 HA ALA 14 HA ALA 14 -2.531 1.877 -14.833 131 1HB ALA 14 1HB ALA 14 -3.368 -0.072 -13.038 132 2HB ALA 14 2HB ALA 14 -4.522 1.233 -12.772 133 3HB ALA 14 3HB ALA 14 -2.794 1.536 -12.604 134 H HIS 15 H HIS 15 -5.479 0.437 -15.941 135 HA HIS 15 HA HIS 15 -4.554 -2.267 -16.334 136 1HB HIS 15 2HB HIS 15 -6.892 -0.723 -16.655 137 2HB HIS 15 1HB HIS 15 -6.534 -1.383 -18.251 138 HD1 HIS 15 HD1 HIS 15 -8.964 -2.466 -16.721 139 HD2 HIS 15 HD2 HIS 15 -5.167 -4.169 -16.476 140 HE1 HIS 15 HE1 HIS 15 -9.301 -4.865 -15.979 141 H ASN 16 H ASN 16 -4.716 0.547 -18.560 142 HA ASN 16 HA ASN 16 -3.475 -0.958 -20.745 143 1HB ASN 16 2HB ASN 16 -5.178 0.939 -20.872 144 2HB ASN 16 1HB ASN 16 -3.857 2.031 -20.453 145 1HD2 ASN 16 1HD2 ASN 16 -5.157 -0.030 -23.006 146 2HD2 ASN 16 2HD2 ASN 16 -4.064 0.461 -24.208 147 H ILE 17 H ILE 17 -2.160 0.312 -17.946 148 HA ILE 17 HA ILE 17 0.296 1.346 -19.202 149 HB ILE 17 HB ILE 17 -0.038 1.063 -16.267 150 1HG1 ILE 17 2HG1 ILE 17 -1.761 2.819 -18.036 151 2HG1 ILE 17 1HG1 ILE 17 -2.260 1.776 -16.713 152 1HG2 ILE 17 1HG2 ILE 17 0.909 3.396 -16.465 153 2HG2 ILE 17 2HG2 ILE 17 0.972 3.125 -18.203 154 3HG2 ILE 17 3HG2 ILE 17 1.916 2.110 -17.115 155 1HD1 ILE 17 1HD1 ILE 17 -0.589 4.277 -16.384 156 2HD1 ILE 17 2HD1 ILE 17 -1.232 3.268 -15.089 157 3HD1 ILE 17 3HD1 ILE 17 -2.329 4.190 -16.116 158 H ASP 18 H ASP 18 2.387 0.532 -18.109 159 HA ASP 18 HA ASP 18 2.244 -2.445 -17.903 160 1HB ASP 18 2HB ASP 18 4.206 -0.428 -18.935 161 2HB ASP 18 1HB ASP 18 4.799 -2.010 -18.427 162 HA PRO 19 HA PRO 19 3.651 -2.090 -13.667 163 1HB PRO 19 2HB PRO 19 4.433 -4.688 -13.336 164 2HB PRO 19 1HB PRO 19 2.734 -4.185 -13.323 165 1HG PRO 19 2HG PRO 19 4.288 -5.512 -15.455 166 2HG PRO 19 1HG PRO 19 2.583 -5.681 -15.017 167 1HD PRO 19 2HD PRO 19 3.511 -4.225 -17.161 168 2HD PRO 19 1HD PRO 19 1.942 -3.976 -16.367 169 H ILE 20 H ILE 20 5.663 -1.540 -12.830 170 HA ILE 20 HA ILE 20 8.042 -2.309 -14.463 171 HB ILE 20 HB ILE 20 9.033 -0.206 -13.890 172 1HG1 ILE 20 2HG1 ILE 20 8.142 -0.198 -11.518 173 2HG1 ILE 20 1HG1 ILE 20 8.206 1.362 -12.327 174 1HG2 ILE 20 1HG2 ILE 20 7.514 -0.063 -15.733 175 2HG2 ILE 20 2HG2 ILE 20 7.304 1.391 -14.757 176 3HG2 ILE 20 3HG2 ILE 20 6.129 0.079 -14.651 177 1HD1 ILE 20 1HD1 ILE 20 5.689 0.618 -13.001 178 2HD1 ILE 20 2HD1 ILE 20 6.070 1.510 -11.533 179 3HD1 ILE 20 3HD1 ILE 20 5.856 -0.235 -11.474 180 H PHE 21 H PHE 21 6.569 -2.749 -11.446 181 HA PHE 21 HA PHE 21 9.161 -3.616 -10.227 182 1HB PHE 21 2HB PHE 21 7.241 -3.710 -8.226 183 2HB PHE 21 1HB PHE 21 8.404 -2.414 -8.444 184 HD1 PHE 21 HD1 PHE 21 7.587 -0.257 -8.571 185 HD2 PHE 21 HD2 PHE 21 5.053 -3.490 -9.784 186 HE1 PHE 21 HE1 PHE 21 5.729 1.342 -8.942 187 HE2 PHE 21 HE2 PHE 21 3.216 -1.884 -10.175 188 HZ PHE 21 HZ PHE 21 3.551 0.524 -9.761 189 H GLN 22 H GLN 22 9.341 -5.812 -9.754 190 HA GLN 22 HA GLN 22 6.963 -7.503 -10.443 191 1HB GLN 22 2HB GLN 22 9.325 -7.405 -11.684 192 2HB GLN 22 1HB GLN 22 9.762 -8.541 -10.408 193 1HG GLN 22 2HG GLN 22 8.661 -10.202 -11.451 194 2HG GLN 22 1HG GLN 22 7.181 -9.243 -11.481 195 1HE2 GLN 22 1HE2 GLN 22 9.846 -10.385 -13.409 196 2HE2 GLN 22 2HE2 GLN 22 9.405 -9.605 -14.850 197 H ILE 23 H ILE 23 6.156 -8.796 -8.914 198 HA ILE 23 HA ILE 23 7.433 -8.951 -6.253 199 HB ILE 23 HB ILE 23 4.799 -9.353 -7.555 200 1HG1 ILE 23 2HG1 ILE 23 5.538 -7.316 -6.260 201 2HG1 ILE 23 1HG1 ILE 23 4.001 -8.010 -5.750 202 1HG2 ILE 23 1HG2 ILE 23 3.818 -10.717 -5.827 203 2HG2 ILE 23 2HG2 ILE 23 5.304 -10.691 -4.880 204 3HG2 ILE 23 3HG2 ILE 23 5.243 -11.580 -6.394 205 1HD1 ILE 23 1HD1 ILE 23 5.192 -9.241 -3.951 206 2HD1 ILE 23 2HD1 ILE 23 5.346 -7.493 -3.780 207 3HD1 ILE 23 3HD1 ILE 23 6.689 -8.441 -4.419 208 H GLY 24 H GLY 24 8.301 -10.921 -5.453 209 1HA GLY 24 2HA GLY 24 8.854 -12.999 -7.456 210 2HA GLY 24 1HA GLY 24 9.460 -12.970 -5.798 211 H LYS 25 H LYS 25 8.220 -15.238 -7.174 212 HA LYS 25 HA LYS 25 5.501 -15.560 -6.294 213 1HB LYS 25 2HB LYS 25 6.557 -16.840 -8.115 214 2HB LYS 25 1HB LYS 25 7.672 -17.573 -6.962 215 1HG LYS 25 2HG LYS 25 6.059 -18.950 -6.064 216 2HG LYS 25 1HG LYS 25 4.757 -17.800 -6.374 217 1HD LYS 25 2HD LYS 25 4.931 -18.299 -8.806 218 2HD LYS 25 1HD LYS 25 6.166 -19.505 -8.449 219 1HE LYS 25 2HE LYS 25 4.507 -20.695 -6.977 220 2HE LYS 25 1HE LYS 25 3.270 -19.547 -7.527 221 1HZ LYS 25 1HZ LYS 25 4.960 -21.205 -9.323 222 2HZ LYS 25 2HZ LYS 25 3.706 -20.163 -9.798 223 3HZ LYS 25 3HZ LYS 25 3.357 -21.569 -8.911 224 H GLY 26 H GLY 26 4.730 -16.215 -4.324 225 1HA GLY 26 2HA GLY 26 5.267 -17.804 -2.364 226 2HA GLY 26 1HA GLY 26 6.752 -16.859 -2.224 227 H GLY 27 H GLY 27 5.947 -14.281 -2.540 228 1HA GLY 27 2HA GLY 27 3.570 -13.377 -1.419 229 2HA GLY 27 1HA GLY 27 4.610 -13.730 -0.034 230 H ILE 28 H ILE 28 3.761 -11.078 -0.763 231 HA ILE 28 HA ILE 28 5.823 -9.739 -2.269 232 HB ILE 28 HB ILE 28 3.701 -8.894 -0.277 233 1HG1 ILE 28 2HG1 ILE 28 3.598 -7.933 -3.041 234 2HG1 ILE 28 1HG1 ILE 28 3.573 -9.693 -2.928 235 1HG2 ILE 28 1HG2 ILE 28 5.617 -7.176 -1.876 236 2HG2 ILE 28 2HG2 ILE 28 5.410 -7.197 -0.125 237 3HG2 ILE 28 3HG2 ILE 28 4.128 -6.563 -1.156 238 1HD1 ILE 28 1HD1 ILE 28 1.813 -8.003 -1.164 239 2HD1 ILE 28 2HD1 ILE 28 1.625 -9.701 -1.605 240 3HD1 ILE 28 3HD1 ILE 28 1.309 -8.440 -2.796 241 H ASN 29 H ASN 29 7.907 -9.612 -1.566 242 HA ASN 29 HA ASN 29 8.496 -9.614 1.361 243 1HB ASN 29 2HB ASN 29 9.551 -11.020 -0.678 244 2HB ASN 29 1HB ASN 29 10.598 -9.604 -0.766 245 1HD2 ASN 29 1HD2 ASN 29 12.425 -9.769 0.534 246 2HD2 ASN 29 2HD2 ASN 29 12.529 -10.678 1.965 247 H GLU 30 H GLU 30 9.914 -7.910 2.246 248 HA GLU 30 HA GLU 30 9.324 -5.255 1.460 249 1HB GLU 30 2HB GLU 30 10.271 -5.858 3.635 250 2HB GLU 30 1HB GLU 30 11.759 -6.412 2.864 251 1HG GLU 30 2HG GLU 30 12.206 -4.134 2.041 252 2HG GLU 30 1HG GLU 30 10.699 -3.566 2.760 253 H ASN 31 H ASN 31 12.040 -7.364 0.460 254 HA ASN 31 HA ASN 31 13.601 -5.507 -0.980 255 1HB ASN 31 2HB ASN 31 12.851 -8.404 -1.485 256 2HB ASN 31 1HB ASN 31 14.110 -7.570 -2.398 257 1HD2 ASN 31 1HD2 ASN 31 14.476 -9.853 -0.518 258 2HD2 ASN 31 2HD2 ASN 31 15.528 -9.296 0.692 259 H MET 32 H MET 32 10.642 -7.212 -1.906 260 HA MET 32 HA MET 32 10.514 -6.194 -4.613 261 1HB MET 32 2HB MET 32 8.919 -7.756 -2.679 262 2HB MET 32 1HB MET 32 7.948 -6.830 -3.825 263 1HG MET 32 2HG MET 32 8.481 -9.107 -4.665 264 2HG MET 32 1HG MET 32 9.135 -7.844 -5.705 265 1HE MET 32 1HE MET 32 10.277 -10.957 -5.769 266 2HE MET 32 2HE MET 32 11.864 -10.344 -6.228 267 3HE MET 32 3HE MET 32 10.411 -9.530 -6.805 268 H ILE 33 H ILE 33 9.024 -5.253 -1.498 269 HA ILE 33 HA ILE 33 7.563 -3.011 -2.564 270 HB ILE 33 HB ILE 33 8.576 -3.636 0.219 271 1HG1 ILE 33 2HG1 ILE 33 5.881 -4.097 -1.103 272 2HG1 ILE 33 1HG1 ILE 33 7.088 -5.352 -0.814 273 1HG2 ILE 33 1HG2 ILE 33 6.398 -2.147 0.637 274 2HG2 ILE 33 2HG2 ILE 33 6.834 -1.490 -0.940 275 3HG2 ILE 33 3HG2 ILE 33 7.977 -1.399 0.400 276 1HD1 ILE 33 1HD1 ILE 33 6.775 -5.318 1.479 277 2HD1 ILE 33 2HD1 ILE 33 5.145 -4.927 0.931 278 3HD1 ILE 33 3HD1 ILE 33 6.220 -3.643 1.483 279 H LYS 34 H LYS 34 10.866 -3.477 -1.459 280 HA LYS 34 HA LYS 34 11.638 -0.806 -0.934 281 1HB LYS 34 2HB LYS 34 12.987 -3.274 -2.023 282 2HB LYS 34 1HB LYS 34 13.892 -1.769 -1.874 283 1HG LYS 34 2HG LYS 34 12.522 -2.014 0.556 284 2HG LYS 34 1HG LYS 34 13.100 -3.642 0.201 285 1HD LYS 34 2HD LYS 34 14.968 -1.329 -0.179 286 2HD LYS 34 1HD LYS 34 14.666 -1.923 1.455 287 1HE LYS 34 2HE LYS 34 15.066 -4.275 0.076 288 2HE LYS 34 1HE LYS 34 16.205 -3.172 -0.723 289 1HZ LYS 34 1HZ LYS 34 17.215 -2.627 1.285 290 2HZ LYS 34 2HZ LYS 34 16.967 -4.301 1.428 291 3HZ LYS 34 3HZ LYS 34 15.925 -3.216 2.219 292 H GLN 35 H GLN 35 11.687 -2.657 -3.991 293 HA GLN 35 HA GLN 35 12.443 -0.398 -5.654 294 1HB GLN 35 2HB GLN 35 12.682 -2.927 -6.066 295 2HB GLN 35 1HB GLN 35 10.962 -2.918 -6.457 296 1HG GLN 35 2HG GLN 35 11.802 -0.829 -7.972 297 2HG GLN 35 1HG GLN 35 13.254 -1.833 -7.994 298 1HE2 GLN 35 1HE2 GLN 35 11.832 -4.398 -7.786 299 2HE2 GLN 35 2HE2 GLN 35 11.044 -4.645 -9.269 300 H ILE 36 H ILE 36 9.348 -2.162 -5.183 301 HA ILE 36 HA ILE 36 7.642 -0.558 -6.743 302 HB ILE 36 HB ILE 36 7.258 -1.988 -4.105 303 1HG1 ILE 36 2HG1 ILE 36 6.268 -2.834 -6.806 304 2HG1 ILE 36 1HG1 ILE 36 7.945 -3.136 -6.348 305 1HG2 ILE 36 1HG2 ILE 36 4.794 -1.980 -5.265 306 2HG2 ILE 36 2HG2 ILE 36 5.379 -0.385 -5.739 307 3HG2 ILE 36 3HG2 ILE 36 5.294 -0.822 -4.033 308 1HD1 ILE 36 1HD1 ILE 36 6.003 -3.851 -4.266 309 2HD1 ILE 36 2HD1 ILE 36 7.372 -4.770 -4.892 310 3HD1 ILE 36 3HD1 ILE 36 5.832 -4.788 -5.750 311 H ASP 37 H ASP 37 8.773 -0.087 -3.409 312 HA ASP 37 HA ASP 37 7.176 2.043 -2.550 313 1HB ASP 37 2HB ASP 37 8.722 0.823 -1.130 314 2HB ASP 37 1HB ASP 37 10.100 1.405 -2.065 315 H ASP 38 H ASP 38 10.460 2.371 -3.984 316 HA ASP 38 HA ASP 38 10.324 5.227 -4.274 317 1HB ASP 38 2HB ASP 38 12.157 3.127 -4.606 318 2HB ASP 38 1HB ASP 38 12.021 3.860 -6.205 319 H THR 39 H THR 39 9.452 2.547 -6.403 320 HA THR 39 HA THR 39 9.090 3.988 -8.854 321 HB THR 39 HB THR 39 7.511 1.635 -7.834 322 HG1 THR 39 HG1 THR 39 9.283 0.511 -7.881 323 1HG2 THR 39 1HG2 THR 39 8.563 2.455 -10.549 324 2HG2 THR 39 2HG2 THR 39 6.883 2.558 -10.016 325 3HG2 THR 39 3HG2 THR 39 7.662 1.002 -10.180 326 H LEU 40 H LEU 40 6.668 2.991 -6.406 327 HA LEU 40 HA LEU 40 4.542 4.565 -7.625 328 1HB LEU 40 2HB LEU 40 3.281 3.752 -5.679 329 2HB LEU 40 1HB LEU 40 4.248 2.440 -6.353 330 HG LEU 40 HG LEU 40 6.051 3.323 -4.614 331 1HD1 LEU 40 1HD1 LEU 40 3.840 3.785 -2.768 332 2HD1 LEU 40 2HD1 LEU 40 3.918 5.012 -4.033 333 3HD1 LEU 40 3HD1 LEU 40 5.317 4.718 -3.001 334 1HD2 LEU 40 1HD2 LEU 40 3.807 1.850 -3.314 335 2HD2 LEU 40 2HD2 LEU 40 5.525 1.456 -3.370 336 3HD2 LEU 40 3HD2 LEU 40 4.501 1.134 -4.769 337 H GLU 41 H GLU 41 6.864 5.037 -5.017 338 HA GLU 41 HA GLU 41 5.704 7.229 -3.659 339 1HB GLU 41 2HB GLU 41 7.641 6.097 -2.813 340 2HB GLU 41 1HB GLU 41 8.544 6.387 -4.298 341 1HG GLU 41 2HG GLU 41 7.541 8.808 -2.900 342 2HG GLU 41 1HG GLU 41 8.822 7.915 -2.077 343 H ASN 42 H ASN 42 7.363 7.075 -6.768 344 HA ASN 42 HA ASN 42 7.343 10.043 -7.011 345 1HB ASN 42 2HB ASN 42 8.763 7.720 -8.174 346 2HB ASN 42 1HB ASN 42 8.428 9.029 -9.310 347 1HD2 ASN 42 1HD2 ASN 42 11.010 8.994 -9.033 348 2HD2 ASN 42 2HD2 ASN 42 11.611 10.066 -7.862 349 H ARG 43 H ARG 43 5.718 7.174 -8.212 350 HA ARG 43 HA ARG 43 4.306 8.756 -10.310 351 1HB ARG 43 2HB ARG 43 5.207 6.034 -9.901 352 2HB ARG 43 1HB ARG 43 3.482 6.054 -10.272 353 1HG ARG 43 2HG ARG 43 4.634 5.943 -12.375 354 2HG ARG 43 1HG ARG 43 4.030 7.592 -12.217 355 1HD ARG 43 2HD ARG 43 6.600 7.522 -10.977 356 2HD ARG 43 1HD ARG 43 6.746 6.746 -12.567 357 HE ARG 43 HE ARG 43 5.415 9.409 -12.232 358 1HH1 ARG 43 1HH2 ARG 43 5.804 7.462 -14.736 359 2HH1 ARG 43 2HH2 ARG 43 6.944 8.414 -15.628 360 1HH2 ARG 43 1HH1 ARG 43 7.629 10.550 -12.984 361 2HH2 ARG 43 2HH1 ARG 43 7.977 10.164 -14.636 362 H GLU 44 H GLU 44 1.872 8.111 -10.486 363 HA GLU 44 HA GLU 44 0.665 8.300 -7.753 364 1HB GLU 44 2HB GLU 44 -0.235 9.151 -10.521 365 2HB GLU 44 1HB GLU 44 -1.242 9.292 -9.080 366 1HG GLU 44 2HG GLU 44 1.532 10.473 -9.188 367 2HG GLU 44 1HG GLU 44 0.121 11.371 -9.747 368 H LEU 45 H LEU 45 0.346 6.683 -10.911 369 HA LEU 45 HA LEU 45 -1.570 4.739 -9.675 370 1HB LEU 45 2HB LEU 45 -2.319 5.988 -11.671 371 2HB LEU 45 1HB LEU 45 -0.914 5.407 -12.563 372 HG LEU 45 HG LEU 45 -1.690 3.121 -12.460 373 1HD1 LEU 45 1HD1 LEU 45 -4.174 3.043 -11.322 374 2HD1 LEU 45 2HD1 LEU 45 -3.368 4.215 -10.278 375 3HD1 LEU 45 3HD1 LEU 45 -2.692 2.598 -10.475 376 1HD2 LEU 45 1HD2 LEU 45 -3.391 5.278 -13.471 377 2HD2 LEU 45 2HD2 LEU 45 -4.322 3.826 -13.108 378 3HD2 LEU 45 3HD2 LEU 45 -2.967 3.746 -14.232 379 H ILE 46 H ILE 46 -0.613 2.821 -9.082 380 HA ILE 46 HA ILE 46 1.799 1.970 -10.639 381 HB ILE 46 HB ILE 46 2.160 0.656 -8.349 382 1HG1 ILE 46 2HG1 ILE 46 0.787 3.177 -7.381 383 2HG1 ILE 46 1HG1 ILE 46 -0.033 1.616 -7.439 384 1HG2 ILE 46 1HG2 ILE 46 2.932 3.412 -7.895 385 2HG2 ILE 46 2HG2 ILE 46 3.177 2.962 -9.583 386 3HG2 ILE 46 3HG2 ILE 46 3.939 2.021 -8.300 387 1HD1 ILE 46 1HD1 ILE 46 2.555 1.299 -6.213 388 2HD1 ILE 46 2HD1 ILE 46 0.962 0.974 -5.529 389 3HD1 ILE 46 3HD1 ILE 46 1.667 2.585 -5.395 390 H LYS 47 H LYS 47 1.368 0.322 -11.890 391 HA LYS 47 HA LYS 47 -0.697 -1.716 -11.143 392 1HB LYS 47 2HB LYS 47 0.101 -2.451 -13.630 393 2HB LYS 47 1HB LYS 47 -1.147 -1.242 -13.378 394 1HG LYS 47 2HG LYS 47 1.750 -0.425 -13.579 395 2HG LYS 47 1HG LYS 47 0.801 -0.723 -15.031 396 1HD LYS 47 2HD LYS 47 -0.767 0.997 -14.485 397 2HD LYS 47 1HD LYS 47 -0.140 1.157 -12.851 398 1HE LYS 47 2HE LYS 47 1.722 1.612 -15.169 399 2HE LYS 47 1HE LYS 47 0.608 2.899 -14.670 400 1HZ LYS 47 1HZ LYS 47 2.530 1.463 -12.923 401 2HZ LYS 47 2HZ LYS 47 1.379 2.590 -12.382 402 3HZ LYS 47 3HZ LYS 47 2.634 3.082 -13.414 403 H VAL 48 H VAL 48 0.464 -3.207 -9.772 404 HA VAL 48 HA VAL 48 3.272 -3.798 -10.501 405 HB VAL 48 HB VAL 48 1.658 -4.731 -8.099 406 1HG1 VAL 48 1HG1 VAL 48 4.421 -3.926 -7.733 407 2HG1 VAL 48 2HG1 VAL 48 4.241 -5.196 -8.945 408 3HG1 VAL 48 3HG1 VAL 48 3.617 -5.437 -7.313 409 1HG2 VAL 48 1HG2 VAL 48 1.982 -2.023 -8.713 410 2HG2 VAL 48 2HG2 VAL 48 3.316 -2.366 -7.619 411 3HG2 VAL 48 3HG2 VAL 48 1.659 -2.691 -7.115 412 H HIS 49 H HIS 49 3.967 -5.958 -10.942 413 HA HIS 49 HA HIS 49 1.791 -7.888 -11.621 414 1HB HIS 49 2HB HIS 49 3.904 -7.108 -13.036 415 2HB HIS 49 1HB HIS 49 4.728 -8.341 -12.081 416 HD1 HIS 49 HD1 HIS 49 2.274 -7.893 -14.838 417 HD2 HIS 49 HD2 HIS 49 3.717 -11.025 -12.494 418 HE1 HIS 49 HE1 HIS 49 1.539 -10.034 -15.972 419 H VAL 50 H VAL 50 1.464 -9.727 -10.373 420 HA VAL 50 HA VAL 50 3.365 -10.189 -8.101 421 HB VAL 50 HB VAL 50 0.389 -10.610 -8.459 422 1HG1 VAL 50 1HG1 VAL 50 0.746 -11.161 -5.862 423 2HG1 VAL 50 2HG1 VAL 50 2.298 -11.741 -6.462 424 3HG1 VAL 50 3HG1 VAL 50 0.800 -12.424 -7.092 425 1HG2 VAL 50 1HG2 VAL 50 2.082 -8.861 -6.656 426 2HG2 VAL 50 2HG2 VAL 50 0.337 -9.052 -6.484 427 3HG2 VAL 50 3HG2 VAL 50 1.007 -8.327 -7.946 428 H LEU 51 H LEU 51 4.410 -12.040 -7.986 429 HA LEU 51 HA LEU 51 4.071 -14.040 -10.054 430 1HB LEU 51 2HB LEU 51 5.937 -13.221 -7.978 431 2HB LEU 51 1HB LEU 51 5.879 -14.956 -8.219 432 HG LEU 51 HG LEU 51 7.580 -13.926 -9.680 433 1HD1 LEU 51 1HD1 LEU 51 5.289 -14.752 -11.453 434 2HD1 LEU 51 2HD1 LEU 51 6.035 -15.913 -10.354 435 3HD1 LEU 51 3HD1 LEU 51 7.003 -15.137 -11.607 436 1HD2 LEU 51 1HD2 LEU 51 7.155 -11.928 -10.624 437 2HD2 LEU 51 2HD2 LEU 51 5.486 -11.994 -10.065 438 3HD2 LEU 51 3HD2 LEU 51 5.918 -12.685 -11.627 439 H GLN 52 H GLN 52 1.755 -13.882 -8.200 440 HA GLN 52 HA GLN 52 2.044 -16.347 -6.564 441 1HB GLN 52 2HB GLN 52 1.039 -14.046 -5.847 442 2HB GLN 52 1HB GLN 52 -0.381 -14.565 -6.758 443 1HG GLN 52 2HG GLN 52 -0.579 -15.185 -4.372 444 2HG GLN 52 1HG GLN 52 -0.515 -16.617 -5.400 445 1HE2 GLN 52 1HE2 GLN 52 1.271 -18.047 -5.146 446 2HE2 GLN 52 2HE2 GLN 52 2.506 -17.800 -4.008 447 H ASN 53 H ASN 53 0.298 -15.076 -9.364 448 HA ASN 53 HA ASN 53 -1.069 -16.163 -10.953 449 1HB ASN 53 2HB ASN 53 1.173 -17.492 -10.805 450 2HB ASN 53 1HB ASN 53 0.210 -18.709 -9.965 451 1HD2 ASN 53 1HD2 ASN 53 1.452 -18.641 -12.799 452 2HD2 ASN 53 2HD2 ASN 53 0.158 -19.051 -13.818 453 H ASN 54 H ASN 54 -2.039 -15.904 -8.127 454 HA ASN 54 HA ASN 54 -3.978 -18.196 -8.126 455 1HB ASN 54 2HB ASN 54 -2.150 -18.074 -6.329 456 2HB ASN 54 1HB ASN 54 -2.991 -16.649 -5.728 457 1HD2 ASN 54 1HD2 ASN 54 -2.690 -19.418 -4.492 458 2HD2 ASN 54 2HD2 ASN 54 -4.280 -19.924 -4.180 459 H PHE 55 H PHE 55 -6.148 -17.599 -7.305 460 HA PHE 55 HA PHE 55 -6.918 -14.901 -8.166 461 1HB PHE 55 2HB PHE 55 -8.042 -17.382 -8.262 462 2HB PHE 55 1HB PHE 55 -8.889 -16.687 -6.878 463 HD1 PHE 55 HD1 PHE 55 -7.653 -15.444 -10.201 464 HD2 PHE 55 HD2 PHE 55 -10.912 -15.669 -7.412 465 HE1 PHE 55 HE1 PHE 55 -9.055 -14.086 -11.731 466 HE2 PHE 55 HE2 PHE 55 -12.315 -14.311 -8.942 467 HZ PHE 55 HZ PHE 55 -11.386 -13.520 -11.102 468 H ASP 56 H ASP 56 -7.896 -16.680 -5.197 469 HA ASP 56 HA ASP 56 -8.475 -14.246 -3.797 470 1HB ASP 56 2HB ASP 56 -7.955 -17.010 -2.699 471 2HB ASP 56 1HB ASP 56 -8.890 -15.735 -1.920 472 H ASP 57 H ASP 57 -5.521 -15.624 -4.478 473 HA ASP 57 HA ASP 57 -4.195 -14.665 -2.005 474 1HB ASP 57 2HB ASP 57 -3.771 -16.723 -3.856 475 2HB ASP 57 1HB ASP 57 -2.492 -15.557 -4.201 476 H LYS 58 H LYS 58 -4.344 -13.985 -5.496 477 HA LYS 58 HA LYS 58 -2.423 -11.897 -5.648 478 1HB LYS 58 2HB LYS 58 -3.691 -13.073 -7.493 479 2HB LYS 58 1HB LYS 58 -5.101 -12.107 -7.063 480 1HG LYS 58 2HG LYS 58 -3.926 -11.035 -8.912 481 2HG LYS 58 1HG LYS 58 -3.769 -10.043 -7.466 482 1HD LYS 58 2HD LYS 58 -1.621 -10.355 -8.781 483 2HD LYS 58 1HD LYS 58 -1.524 -10.797 -7.079 484 1HE LYS 58 2HE LYS 58 -0.463 -12.462 -8.721 485 2HE LYS 58 1HE LYS 58 -1.648 -13.155 -7.601 486 1HZ LYS 58 1HZ LYS 58 -1.773 -13.379 -10.287 487 2HZ LYS 58 2HZ LYS 58 -2.798 -12.054 -10.019 488 3HZ LYS 58 3HZ LYS 58 -3.103 -13.535 -9.250 489 H LYS 59 H LYS 59 -5.838 -11.898 -4.696 490 HA LYS 59 HA LYS 59 -6.088 -9.038 -4.357 491 1HB LYS 59 2HB LYS 59 -7.958 -10.624 -4.678 492 2HB LYS 59 1HB LYS 59 -7.565 -11.400 -3.143 493 1HG LYS 59 2HG LYS 59 -7.758 -8.746 -2.424 494 2HG LYS 59 1HG LYS 59 -9.013 -8.895 -3.655 495 1HD LYS 59 2HD LYS 59 -10.200 -10.498 -2.447 496 2HD LYS 59 1HD LYS 59 -8.782 -10.999 -1.526 497 1HE LYS 59 2HE LYS 59 -9.689 -9.706 0.131 498 2HE LYS 59 1HE LYS 59 -9.023 -8.348 -0.798 499 1HZ LYS 59 1HZ LYS 59 -11.043 -8.151 -2.017 500 2HZ LYS 59 2HZ LYS 59 -11.459 -8.184 -0.370 501 3HZ LYS 59 3HZ LYS 59 -11.675 -9.568 -1.332 502 H GLU 60 H GLU 60 -5.506 -11.748 -2.083 503 HA GLU 60 HA GLU 60 -5.244 -10.165 0.288 504 1HB GLU 60 2HB GLU 60 -4.777 -12.883 -0.668 505 2HB GLU 60 1HB GLU 60 -3.552 -12.392 0.501 506 1HG GLU 60 2HG GLU 60 -5.045 -12.299 2.224 507 2HG GLU 60 1HG GLU 60 -6.333 -11.659 1.202 508 H LEU 61 H LEU 61 -2.886 -11.200 -2.179 509 HA LEU 61 HA LEU 61 -0.484 -10.337 -0.982 510 1HB LEU 61 2HB LEU 61 -1.563 -10.875 -3.662 511 2HB LEU 61 1HB LEU 61 -0.248 -9.699 -3.673 512 HG LEU 61 HG LEU 61 0.476 -11.790 -1.870 513 1HD1 LEU 61 1HD1 LEU 61 0.570 -13.458 -4.027 514 2HD1 LEU 61 2HD1 LEU 61 -0.988 -12.671 -4.284 515 3HD1 LEU 61 3HD1 LEU 61 -0.675 -13.534 -2.779 516 1HD2 LEU 61 1HD2 LEU 61 1.851 -11.970 -4.386 517 2HD2 LEU 61 2HD2 LEU 61 2.430 -11.278 -2.871 518 3HD2 LEU 61 3HD2 LEU 61 1.559 -10.269 -4.027 519 H ALA 62 H ALA 62 -2.859 -8.451 -2.893 520 HA ALA 62 HA ALA 62 -1.462 -5.969 -2.841 521 1HB ALA 62 1HB ALA 62 -3.383 -5.189 -3.796 522 2HB ALA 62 2HB ALA 62 -4.410 -5.947 -2.579 523 3HB ALA 62 3HB ALA 62 -3.769 -6.906 -3.913 524 H GLU 63 H GLU 63 -3.518 -7.609 -0.480 525 HA GLU 63 HA GLU 63 -4.028 -5.508 1.318 526 1HB GLU 63 2HB GLU 63 -4.657 -8.072 1.232 527 2HB GLU 63 1HB GLU 63 -3.237 -8.237 2.265 528 1HG GLU 63 2HG GLU 63 -4.929 -6.036 3.135 529 2HG GLU 63 1HG GLU 63 -5.821 -7.557 3.095 530 H THR 64 H THR 64 -1.228 -7.411 0.786 531 HA THR 64 HA THR 64 0.325 -6.261 3.004 532 HB THR 64 HB THR 64 1.131 -8.006 0.651 533 HG1 THR 64 HG1 THR 64 -0.384 -9.101 1.797 534 1HG2 THR 64 1HG2 THR 64 2.814 -8.703 2.594 535 2HG2 THR 64 2HG2 THR 64 2.490 -7.056 3.133 536 3HG2 THR 64 3HG2 THR 64 3.157 -7.343 1.526 537 H LEU 65 H LEU 65 0.143 -5.955 -0.549 538 HA LEU 65 HA LEU 65 2.386 -4.108 -0.737 539 1HB LEU 65 2HB LEU 65 0.145 -5.055 -2.503 540 2HB LEU 65 1HB LEU 65 1.179 -3.731 -3.028 541 HG LEU 65 HG LEU 65 2.313 -6.342 -2.034 542 1HD1 LEU 65 1HD1 LEU 65 2.586 -6.900 -4.471 543 2HD1 LEU 65 2HD1 LEU 65 1.529 -5.540 -4.847 544 3HD1 LEU 65 3HD1 LEU 65 0.909 -6.909 -3.926 545 1HD2 LEU 65 1HD2 LEU 65 4.268 -5.575 -3.336 546 2HD2 LEU 65 2HD2 LEU 65 3.813 -4.392 -2.108 547 3HD2 LEU 65 3HD2 LEU 65 3.383 -4.121 -3.797 548 H SER 66 H SER 66 -1.182 -3.693 -1.021 549 HA SER 66 HA SER 66 -1.287 -0.889 -1.243 550 1HB SER 66 2HB SER 66 -3.032 -2.952 0.108 551 2HB SER 66 1HB SER 66 -3.515 -1.260 0.010 552 HG SER 66 HG SER 66 -3.442 -1.400 -2.215 553 H GLU 67 H GLU 67 -1.109 -2.859 1.741 554 HA GLU 67 HA GLU 67 -1.205 -0.619 3.555 555 1HB GLU 67 2HB GLU 67 -0.235 -3.482 3.714 556 2HB GLU 67 1HB GLU 67 -0.268 -2.413 5.117 557 1HG GLU 67 2HG GLU 67 -2.749 -2.607 3.465 558 2HG GLU 67 1HG GLU 67 -2.350 -3.972 4.509 559 H ALA 68 H ALA 68 1.479 -2.369 1.996 560 HA ALA 68 HA ALA 68 3.498 -0.795 3.466 561 1HB ALA 68 1HB ALA 68 3.444 -3.308 2.559 562 2HB ALA 68 2HB ALA 68 4.956 -2.406 2.662 563 3HB ALA 68 3HB ALA 68 4.115 -2.541 1.118 564 H THR 69 H THR 69 1.692 -0.462 0.555 565 HA THR 69 HA THR 69 3.749 1.196 -0.786 566 HB THR 69 HB THR 69 1.948 1.240 -2.564 567 HG1 THR 69 HG1 THR 69 0.143 -0.011 -2.206 568 1HG2 THR 69 1HG2 THR 69 1.993 -1.354 -2.836 569 2HG2 THR 69 2HG2 THR 69 3.035 -1.318 -1.414 570 3HG2 THR 69 3HG2 THR 69 3.518 -0.470 -2.883 571 H ARG 70 H ARG 70 1.333 1.695 1.536 572 HA ARG 70 HA ARG 70 0.237 3.642 2.301 573 1HB ARG 70 2HB ARG 70 2.919 4.203 1.453 574 2HB ARG 70 1HB ARG 70 1.912 5.596 1.056 575 1HG ARG 70 2HG ARG 70 1.167 5.815 3.324 576 2HG ARG 70 1HG ARG 70 1.865 4.257 3.770 577 1HD ARG 70 2HD ARG 70 3.433 6.716 2.902 578 2HD ARG 70 1HD ARG 70 3.340 6.065 4.549 579 HE ARG 70 HE ARG 70 4.132 3.879 3.067 580 1HH1 ARG 70 1HH1 ARG 70 5.563 6.453 4.597 581 2HH1 ARG 70 2HH1 ARG 70 7.067 6.377 3.742 582 1HH2 ARG 70 1HH2 ARG 70 5.938 4.061 1.422 583 2HH2 ARG 70 2HH2 ARG 70 7.279 5.024 1.947 584 H SER 71 H SER 71 -0.351 2.521 -0.465 585 HA SER 71 HA SER 71 -1.454 5.007 -1.736 586 1HB SER 71 2HB SER 71 -0.774 2.284 -2.891 587 2HB SER 71 1HB SER 71 -1.352 3.670 -3.812 588 HG SER 71 HG SER 71 1.127 3.185 -2.635 589 H GLU 72 H GLU 72 -3.379 3.844 -3.359 590 HA GLU 72 HA GLU 72 -5.175 2.399 -1.437 591 1HB GLU 72 2HB GLU 72 -5.908 4.616 -3.394 592 2HB GLU 72 1HB GLU 72 -7.000 3.834 -2.252 593 1HG GLU 72 2HG GLU 72 -4.489 5.140 -1.242 594 2HG GLU 72 1HG GLU 72 -5.904 6.124 -1.610 595 H LEU 73 H LEU 73 -5.523 0.381 -2.319 596 HA LEU 73 HA LEU 73 -5.031 -0.428 -4.959 597 1HB LEU 73 2HB LEU 73 -5.920 -1.457 -2.500 598 2HB LEU 73 1HB LEU 73 -7.193 -1.865 -3.643 599 HG LEU 73 HG LEU 73 -4.291 -2.598 -3.713 600 1HD1 LEU 73 1HD1 LEU 73 -6.968 -3.982 -3.605 601 2HD1 LEU 73 2HD1 LEU 73 -5.526 -4.291 -2.634 602 3HD1 LEU 73 3HD1 LEU 73 -5.599 -4.841 -4.308 603 1HD2 LEU 73 1HD2 LEU 73 -4.339 -2.409 -5.985 604 2HD2 LEU 73 2HD2 LEU 73 -6.065 -2.070 -5.977 605 3HD2 LEU 73 3HD2 LEU 73 -5.495 -3.736 -5.980 606 H VAL 74 H VAL 74 -6.119 0.526 -6.731 607 HA VAL 74 HA VAL 74 -8.994 1.118 -6.505 608 HB VAL 74 HB VAL 74 -8.709 1.604 -8.988 609 1HG1 VAL 74 1HG1 VAL 74 -8.065 3.684 -8.417 610 2HG1 VAL 74 2HG1 VAL 74 -6.519 3.131 -7.780 611 3HG1 VAL 74 3HG1 VAL 74 -7.967 3.055 -6.777 612 1HG2 VAL 74 1HG2 VAL 74 -6.689 -0.008 -9.120 613 2HG2 VAL 74 2HG2 VAL 74 -5.762 1.341 -8.463 614 3HG2 VAL 74 3HG2 VAL 74 -6.598 1.514 -10.006 615 H GLN 75 H GLN 75 -6.825 -1.435 -7.616 616 HA GLN 75 HA GLN 75 -8.660 -3.511 -7.295 617 1HB GLN 75 2HB GLN 75 -9.189 -1.924 -9.632 618 2HB GLN 75 1HB GLN 75 -8.743 -3.557 -10.129 619 1HG GLN 75 2HG GLN 75 -10.412 -4.106 -8.045 620 2HG GLN 75 1HG GLN 75 -11.138 -2.621 -8.663 621 1HE2 GLN 75 1HE2 GLN 75 -9.588 -5.485 -10.242 622 2HE2 GLN 75 2HE2 GLN 75 -10.860 -5.749 -11.333 623 H VAL 76 H VAL 76 -8.262 -5.432 -8.665 624 HA VAL 76 HA VAL 76 -5.315 -5.757 -9.027 625 HB VAL 76 HB VAL 76 -7.466 -7.052 -7.437 626 1HG1 VAL 76 1HG1 VAL 76 -6.032 -9.217 -7.385 627 2HG1 VAL 76 2HG1 VAL 76 -5.302 -8.634 -8.881 628 3HG1 VAL 76 3HG1 VAL 76 -7.031 -8.975 -8.818 629 1HG2 VAL 76 1HG2 VAL 76 -4.578 -6.340 -7.172 630 2HG2 VAL 76 2HG2 VAL 76 -5.183 -7.662 -6.174 631 3HG2 VAL 76 3HG2 VAL 76 -5.918 -6.064 -6.058 632 H ILE 77 H ILE 77 -4.841 -6.533 -11.118 633 HA ILE 77 HA ILE 77 -7.127 -7.812 -12.598 634 HB ILE 77 HB ILE 77 -6.359 -6.676 -14.586 635 1HG1 ILE 77 2HG1 ILE 77 -4.413 -4.876 -13.804 636 2HG1 ILE 77 1HG1 ILE 77 -3.924 -6.359 -12.981 637 1HG2 ILE 77 1HG2 ILE 77 -7.822 -5.360 -13.181 638 2HG2 ILE 77 2HG2 ILE 77 -6.573 -4.290 -13.819 639 3HG2 ILE 77 3HG2 ILE 77 -6.474 -4.870 -12.156 640 1HD1 ILE 77 1HD1 ILE 77 -3.185 -5.901 -15.486 641 2HD1 ILE 77 2HD1 ILE 77 -4.793 -6.533 -15.838 642 3HD1 ILE 77 3HD1 ILE 77 -3.628 -7.525 -14.963 643 H GLY 78 H GLY 78 -6.735 -9.905 -13.029 644 1HA GLY 78 2HA GLY 78 -5.558 -11.918 -13.340 645 2HA GLY 78 1HA GLY 78 -4.617 -10.964 -14.487 646 H SER 79 H SER 79 -2.488 -11.041 -14.082 647 HA SER 79 HA SER 79 -1.503 -11.716 -11.366 648 1HB SER 79 2HB SER 79 -0.092 -11.345 -14.025 649 2HB SER 79 1HB SER 79 0.597 -12.083 -12.581 650 HG SER 79 HG SER 79 -0.550 -13.376 -14.421 651 H MET 80 H MET 80 -2.619 -8.969 -12.310 652 HA MET 80 HA MET 80 -0.202 -7.383 -11.550 653 1HB MET 80 2HB MET 80 -2.133 -7.229 -13.741 654 2HB MET 80 1HB MET 80 -1.895 -5.685 -12.922 655 1HG MET 80 2HG MET 80 0.608 -6.103 -13.133 656 2HG MET 80 1HG MET 80 0.205 -7.437 -14.213 657 1HE MET 80 1HE MET 80 -1.030 -6.649 -17.058 658 2HE MET 80 2HE MET 80 0.255 -7.442 -16.151 659 3HE MET 80 3HE MET 80 0.647 -6.118 -17.245 660 H ILE 81 H ILE 81 -0.516 -5.679 -10.062 661 HA ILE 81 HA ILE 81 -3.148 -5.667 -8.631 662 HB ILE 81 HB ILE 81 -0.377 -4.742 -7.780 663 1HG1 ILE 81 2HG1 ILE 81 -0.534 -7.200 -8.240 664 2HG1 ILE 81 1HG1 ILE 81 -0.172 -6.819 -6.557 665 1HG2 ILE 81 1HG2 ILE 81 -1.275 -4.632 -5.548 666 2HG2 ILE 81 2HG2 ILE 81 -2.804 -5.334 -6.076 667 3HG2 ILE 81 3HG2 ILE 81 -2.349 -3.714 -6.604 668 1HD1 ILE 81 1HD1 ILE 81 -2.461 -7.193 -5.910 669 2HD1 ILE 81 2HD1 ILE 81 -1.940 -8.585 -6.859 670 3HD1 ILE 81 3HD1 ILE 81 -2.964 -7.350 -7.593 671 H VAL 82 H VAL 82 -4.293 -3.739 -8.720 672 HA VAL 82 HA VAL 82 -3.001 -1.402 -10.077 673 HB VAL 82 HB VAL 82 -5.976 -2.007 -9.641 674 1HG1 VAL 82 1HG1 VAL 82 -4.711 0.261 -10.557 675 2HG1 VAL 82 2HG1 VAL 82 -6.327 -0.243 -11.041 676 3HG1 VAL 82 3HG1 VAL 82 -4.948 -0.632 -12.059 677 1HG2 VAL 82 1HG2 VAL 82 -5.682 -2.771 -12.139 678 2HG2 VAL 82 2HG2 VAL 82 -5.223 -3.899 -10.863 679 3HG2 VAL 82 3HG2 VAL 82 -3.983 -2.980 -11.716 680 H ILE 83 H ILE 83 -2.252 0.034 -8.518 681 HA ILE 83 HA ILE 83 -4.149 0.730 -6.290 682 HB ILE 83 HB ILE 83 -1.121 0.473 -6.187 683 1HG1 ILE 83 2HG1 ILE 83 -3.145 -1.356 -4.878 684 2HG1 ILE 83 1HG1 ILE 83 -2.513 -1.686 -6.487 685 1HG2 ILE 83 1HG2 ILE 83 -3.143 0.782 -3.952 686 2HG2 ILE 83 2HG2 ILE 83 -2.135 2.085 -4.578 687 3HG2 ILE 83 3HG2 ILE 83 -1.391 0.698 -3.782 688 1HD1 ILE 83 1HD1 ILE 83 -1.343 -2.596 -4.225 689 2HD1 ILE 83 2HD1 ILE 83 -0.490 -1.065 -4.413 690 3HD1 ILE 83 3HD1 ILE 83 -0.447 -2.262 -5.708 691 H TYR 84 H TYR 84 -3.952 2.912 -5.509 692 HA TYR 84 HA TYR 84 -2.549 4.783 -7.385 693 1HB TYR 84 2HB TYR 84 -4.907 4.976 -7.723 694 2HB TYR 84 1HB TYR 84 -5.238 4.878 -5.995 695 HD1 TYR 84 HD1 TYR 84 -6.018 6.896 -5.139 696 HD2 TYR 84 HD2 TYR 84 -2.929 6.958 -8.121 697 HE1 TYR 84 HE1 TYR 84 -5.905 9.365 -4.968 698 HE2 TYR 84 HE2 TYR 84 -2.816 9.429 -7.950 699 HH TYR 84 HH TYR 84 -4.038 11.153 -5.452 700 H ARG 85 H ARG 85 -0.813 5.574 -6.281 701 HA ARG 85 HA ARG 85 -0.733 5.733 -3.369 702 1HB ARG 85 2HB ARG 85 1.193 5.233 -4.907 703 2HB ARG 85 1HB ARG 85 1.127 6.912 -5.447 704 1HG ARG 85 2HG ARG 85 1.096 6.874 -2.580 705 2HG ARG 85 1HG ARG 85 2.434 5.873 -3.140 706 1HD ARG 85 2HD ARG 85 3.265 7.716 -4.541 707 2HD ARG 85 1HD ARG 85 1.898 8.728 -4.033 708 HE ARG 85 HE ARG 85 3.586 7.561 -1.892 709 1HH1 ARG 85 1HH2 ARG 85 3.539 10.143 -4.080 710 2HH1 ARG 85 2HH2 ARG 85 3.762 11.375 -2.882 711 1HH2 ARG 85 1HH1 ARG 85 3.466 9.193 -0.202 712 2HH2 ARG 85 2HH1 ARG 85 3.722 10.837 -0.686 713 H GLU 86 H GLU 86 -0.971 7.548 -2.109 714 HA GLU 86 HA GLU 86 -2.698 9.602 -2.568 715 1HB GLU 86 2HB GLU 86 -1.559 10.740 -0.749 716 2HB GLU 86 1HB GLU 86 -1.450 9.002 -0.472 717 1HG GLU 86 2HG GLU 86 0.791 9.412 -1.966 718 2HG GLU 86 1HG GLU 86 0.687 10.949 -1.110 719 H SER 87 H SER 87 -2.265 12.002 -2.876 720 HA SER 87 HA SER 87 -0.485 12.388 -5.222 721 1HB SER 87 2HB SER 87 -2.903 13.758 -4.065 722 2HB SER 87 1HB SER 87 -1.899 14.572 -5.262 723 HG SER 87 HG SER 87 -2.331 12.938 -6.706 724 H LYS 88 H LYS 88 1.068 14.028 -5.234 725 HA LYS 88 HA LYS 88 1.394 15.630 -2.765 726 1HB LYS 88 2HB LYS 88 2.747 13.374 -2.886 727 2HB LYS 88 1HB LYS 88 3.742 14.233 -4.062 728 1HG LYS 88 2HG LYS 88 3.456 16.055 -1.971 729 2HG LYS 88 1HG LYS 88 3.672 14.504 -1.159 730 1HD LYS 88 2HD LYS 88 5.825 14.288 -1.866 731 2HD LYS 88 1HD LYS 88 5.468 14.953 -3.461 732 1HE LYS 88 2HE LYS 88 5.446 16.764 -1.049 733 2HE LYS 88 1HE LYS 88 6.977 16.361 -1.853 734 1HZ LYS 88 1HZ LYS 88 6.197 18.197 -3.035 735 2HZ LYS 88 2HZ LYS 88 4.583 17.666 -2.999 736 3HZ LYS 88 3HZ LYS 88 5.716 16.883 -3.993 737 H GLU 89 H GLU 89 2.683 14.817 -5.979 738 HA GLU 89 HA GLU 89 3.189 17.707 -6.516 739 1HB GLU 89 2HB GLU 89 5.005 16.119 -6.982 740 2HB GLU 89 1HB GLU 89 3.918 15.119 -7.946 741 1HG GLU 89 2HG GLU 89 3.894 17.886 -8.851 742 2HG GLU 89 1HG GLU 89 5.523 17.208 -8.893 743 H ASN 90 H ASN 90 1.561 18.727 -7.541 744 HA ASN 90 HA ASN 90 -0.894 17.650 -8.362 745 1HB ASN 90 2HB ASN 90 0.679 20.139 -9.007 746 2HB ASN 90 1HB ASN 90 -0.885 19.862 -9.774 747 1HD2 ASN 90 1HD2 ASN 90 -2.803 19.867 -8.404 748 2HD2 ASN 90 2HD2 ASN 90 -2.753 20.450 -6.810 749 H LYS 91 H LYS 91 -0.320 15.745 -9.582 750 HA LYS 91 HA LYS 91 0.670 16.190 -12.357 751 1HB LYS 91 2HB LYS 91 1.151 14.254 -10.440 752 2HB LYS 91 1HB LYS 91 -0.074 13.484 -11.449 753 1HG LYS 91 2HG LYS 91 1.777 14.779 -13.188 754 2HG LYS 91 1HG LYS 91 2.711 13.850 -12.014 755 1HD LYS 91 2HD LYS 91 2.137 11.915 -13.010 756 2HD LYS 91 1HD LYS 91 0.423 12.318 -12.899 757 1HE LYS 91 2HE LYS 91 0.670 13.747 -14.948 758 2HE LYS 91 1HE LYS 91 2.342 13.166 -15.094 759 1HZ LYS 91 1HZ LYS 91 -0.011 11.371 -14.861 760 2HZ LYS 91 2HZ LYS 91 1.591 10.927 -15.214 761 3HZ LYS 91 3HZ LYS 91 0.681 11.811 -16.345 762 H GLU 92 H GLU 92 -0.725 15.297 -14.127 763 HA GLU 92 HA GLU 92 -3.488 16.015 -13.828 764 1HB GLU 92 2HB GLU 92 -2.158 15.981 -15.943 765 2HB GLU 92 1HB GLU 92 -2.126 14.218 -15.866 766 1HG GLU 92 2HG GLU 92 -3.927 14.971 -17.361 767 2HG GLU 92 1HG GLU 92 -4.604 14.183 -15.935 768 H ILE 93 H ILE 93 -3.854 14.715 -11.815 769 HA ILE 93 HA ILE 93 -4.340 11.809 -12.300 770 HB ILE 93 HB ILE 93 -3.647 13.591 -9.965 771 1HG1 ILE 93 2HG1 ILE 93 -1.962 12.305 -11.364 772 2HG1 ILE 93 1HG1 ILE 93 -1.896 11.981 -9.633 773 1HG2 ILE 93 1HG2 ILE 93 -5.627 12.341 -9.167 774 2HG2 ILE 93 2HG2 ILE 93 -4.165 11.742 -8.385 775 3HG2 ILE 93 3HG2 ILE 93 -4.900 10.826 -9.701 776 1HD1 ILE 93 1HD1 ILE 93 -3.577 10.250 -11.443 777 2HD1 ILE 93 2HD1 ILE 93 -2.903 9.864 -9.863 778 3HD1 ILE 93 3HD1 ILE 93 -1.848 9.951 -11.274 779 H GLU 94 H GLU 94 -6.454 11.331 -12.713 780 HA GLU 94 HA GLU 94 -8.588 12.978 -11.379 781 1HB GLU 94 2HB GLU 94 -8.141 13.067 -13.973 782 2HB GLU 94 1HB GLU 94 -8.956 11.502 -13.961 783 1HG GLU 94 2HG GLU 94 -10.903 12.627 -13.988 784 2HG GLU 94 1HG GLU 94 -10.547 13.105 -12.328 785 H LEU 95 H LEU 95 -10.366 11.750 -10.581 786 HA LEU 95 HA LEU 95 -10.280 8.881 -11.163 787 1HB LEU 95 2HB LEU 95 -10.507 9.690 -8.262 788 2HB LEU 95 1HB LEU 95 -10.045 8.147 -8.941 789 HG LEU 95 HG LEU 95 -7.974 9.387 -9.875 790 1HD1 LEU 95 1HD1 LEU 95 -7.500 11.500 -9.171 791 2HD1 LEU 95 2HD1 LEU 95 -8.116 11.192 -7.549 792 3HD1 LEU 95 3HD1 LEU 95 -9.226 11.614 -8.846 793 1HD2 LEU 95 1HD2 LEU 95 -8.207 9.112 -6.871 794 2HD2 LEU 95 2HD2 LEU 95 -6.768 8.874 -7.859 795 3HD2 LEU 95 3HD2 LEU 95 -8.105 7.728 -7.958 796 HA PRO 96 HA PRO 96 -14.572 9.827 -9.623 797 1HB PRO 96 2HB PRO 96 -15.079 11.980 -8.021 798 2HB PRO 96 1HB PRO 96 -14.442 10.443 -7.409 799 1HG PRO 96 2HG PRO 96 -13.122 12.999 -7.605 800 2HG PRO 96 1HG PRO 96 -12.585 11.524 -6.798 801 1HD PRO 96 2HD PRO 96 -11.831 12.581 -9.421 802 2HD PRO 96 1HD PRO 96 -11.044 11.336 -8.439 Start of MODEL 9 1 1H MET 1 1HT MET 1 -7.861 9.571 1.283 2 2H MET 1 2HT MET 1 -8.128 8.070 0.534 3 3H MET 1 3HT MET 1 -9.438 9.095 0.879 4 HA MET 1 HA MET 1 -8.615 10.729 -0.719 5 1HB MET 1 2HB MET 1 -6.372 8.752 -0.600 6 2HB MET 1 1HB MET 1 -6.645 9.598 -2.124 7 1HG MET 1 2HG MET 1 -5.888 11.569 -1.299 8 2HG MET 1 1HG MET 1 -6.755 11.360 0.222 9 1HE MET 1 1HE MET 1 -5.539 9.610 2.359 10 2HE MET 1 2HE MET 1 -5.922 11.306 2.073 11 3HE MET 1 3HE MET 1 -4.322 10.860 2.662 12 H LEU 2 H LEU 2 -7.955 7.305 -1.548 13 HA LEU 2 HA LEU 2 -9.696 7.465 -3.920 14 1HB LEU 2 2HB LEU 2 -7.488 6.194 -3.632 15 2HB LEU 2 1HB LEU 2 -8.424 5.049 -2.666 16 HG LEU 2 HG LEU 2 -9.556 5.840 -5.293 17 1HD1 LEU 2 1HD1 LEU 2 -6.892 4.880 -5.099 18 2HD1 LEU 2 2HD1 LEU 2 -7.873 5.036 -6.555 19 3HD1 LEU 2 3HD1 LEU 2 -7.887 3.529 -5.640 20 1HD2 LEU 2 1HD2 LEU 2 -9.636 3.607 -3.356 21 2HD2 LEU 2 2HD2 LEU 2 -9.798 3.165 -5.056 22 3HD2 LEU 2 3HD2 LEU 2 -10.929 4.305 -4.328 23 H THR 3 H THR 3 -11.669 6.933 -4.031 24 HA THR 3 HA THR 3 -12.974 5.439 -1.806 25 HB THR 3 HB THR 3 -13.292 8.015 -3.063 26 HG1 THR 3 HG1 THR 3 -14.304 8.432 -1.134 27 1HG2 THR 3 1HG2 THR 3 -15.879 7.934 -2.844 28 2HG2 THR 3 2HG2 THR 3 -15.697 6.190 -3.023 29 3HG2 THR 3 3HG2 THR 3 -15.162 7.269 -4.310 30 H GLY 4 H GLY 4 -15.038 4.333 -2.649 31 1HA GLY 4 2HA GLY 4 -14.563 2.409 -4.575 32 2HA GLY 4 1HA GLY 4 -16.187 2.993 -4.224 33 H LYS 5 H LYS 5 -15.791 5.686 -5.176 34 HA LYS 5 HA LYS 5 -16.268 5.269 -8.007 35 1HB LYS 5 2HB LYS 5 -17.406 6.979 -6.707 36 2HB LYS 5 1HB LYS 5 -15.866 7.729 -6.289 37 1HG LYS 5 2HG LYS 5 -15.519 8.533 -8.465 38 2HG LYS 5 1HG LYS 5 -16.637 7.366 -9.174 39 1HD LYS 5 2HD LYS 5 -17.858 9.168 -7.183 40 2HD LYS 5 1HD LYS 5 -17.272 9.977 -8.637 41 1HE LYS 5 2HE LYS 5 -18.505 8.127 -9.955 42 2HE LYS 5 1HE LYS 5 -19.335 7.775 -8.427 43 1HZ LYS 5 1HZ LYS 5 -20.636 9.421 -9.446 44 2HZ LYS 5 2HZ LYS 5 -19.283 10.323 -9.936 45 3HZ LYS 5 3HZ LYS 5 -19.719 10.262 -8.295 46 H GLN 6 H GLN 6 -13.527 6.677 -6.131 47 HA GLN 6 HA GLN 6 -11.992 7.548 -8.345 48 1HB GLN 6 2HB GLN 6 -11.408 6.601 -5.585 49 2HB GLN 6 1HB GLN 6 -10.092 7.015 -6.666 50 1HG GLN 6 2HG GLN 6 -10.433 9.086 -5.705 51 2HG GLN 6 1HG GLN 6 -11.546 9.200 -7.064 52 1HE2 GLN 6 1HE2 GLN 6 -11.514 10.230 -4.079 53 2HE2 GLN 6 2HE2 GLN 6 -13.093 9.886 -3.559 54 H LYS 7 H LYS 7 -12.236 4.448 -6.716 55 HA LYS 7 HA LYS 7 -10.222 2.937 -7.974 56 1HB LYS 7 2HB LYS 7 -11.431 1.952 -6.208 57 2HB LYS 7 1HB LYS 7 -12.985 2.456 -6.861 58 1HG LYS 7 2HG LYS 7 -12.968 0.753 -8.513 59 2HG LYS 7 1HG LYS 7 -11.259 0.429 -8.272 60 1HD LYS 7 2HD LYS 7 -13.443 -0.082 -6.229 61 2HD LYS 7 1HD LYS 7 -12.666 -1.319 -7.216 62 1HE LYS 7 2HE LYS 7 -11.005 -1.486 -5.690 63 2HE LYS 7 1HE LYS 7 -10.621 0.229 -5.913 64 1HZ LYS 7 1HZ LYS 7 -12.792 -0.849 -4.193 65 2HZ LYS 7 2HZ LYS 7 -12.448 0.797 -4.431 66 3HZ LYS 7 3HZ LYS 7 -11.327 -0.202 -3.637 67 H ARG 8 H ARG 8 -13.624 3.358 -9.046 68 HA ARG 8 HA ARG 8 -13.535 1.855 -11.404 69 1HB ARG 8 2HB ARG 8 -15.450 3.046 -10.201 70 2HB ARG 8 1HB ARG 8 -14.955 4.506 -11.058 71 1HG ARG 8 2HG ARG 8 -15.067 2.975 -13.185 72 2HG ARG 8 1HG ARG 8 -16.093 1.956 -12.173 73 1HD ARG 8 2HD ARG 8 -17.068 4.538 -11.725 74 2HD ARG 8 1HD ARG 8 -16.745 4.484 -13.470 75 HE ARG 8 HE ARG 8 -18.242 2.588 -13.655 76 1HH1 ARG 8 1HH1 ARG 8 -19.212 4.667 -11.360 77 2HH1 ARG 8 2HH1 ARG 8 -20.031 3.525 -10.345 78 1HH2 ARG 8 1HH2 ARG 8 -18.729 0.750 -11.965 79 2HH2 ARG 8 2HH2 ARG 8 -19.755 1.309 -10.688 80 H TYR 9 H TYR 9 -13.011 5.405 -11.201 81 HA TYR 9 HA TYR 9 -12.219 5.770 -13.927 82 1HB TYR 9 2HB TYR 9 -11.731 7.228 -11.327 83 2HB TYR 9 1HB TYR 9 -11.087 7.839 -12.851 84 HD1 TYR 9 HD1 TYR 9 -14.100 7.328 -10.839 85 HD2 TYR 9 HD2 TYR 9 -12.624 8.474 -14.709 86 HE1 TYR 9 HE1 TYR 9 -16.315 8.295 -11.399 87 HE2 TYR 9 HE2 TYR 9 -14.839 9.442 -15.266 88 HH TYR 9 HH TYR 9 -17.406 9.671 -12.861 89 H LEU 10 H LEU 10 -10.228 5.624 -10.999 90 HA LEU 10 HA LEU 10 -7.727 5.676 -12.356 91 1HB LEU 10 2HB LEU 10 -8.768 5.730 -9.751 92 2HB LEU 10 1HB LEU 10 -7.678 4.342 -9.787 93 HG LEU 10 HG LEU 10 -6.941 7.041 -10.903 94 1HD1 LEU 10 1HD1 LEU 10 -5.732 7.484 -8.856 95 2HD1 LEU 10 2HD1 LEU 10 -6.138 5.892 -8.213 96 3HD1 LEU 10 3HD1 LEU 10 -7.399 7.109 -8.416 97 1HD2 LEU 10 1HD2 LEU 10 -4.654 6.052 -10.669 98 2HD2 LEU 10 2HD2 LEU 10 -5.688 5.112 -11.747 99 3HD2 LEU 10 3HD2 LEU 10 -5.395 4.557 -10.099 100 H ARG 11 H ARG 11 -9.730 2.924 -11.290 101 HA ARG 11 HA ARG 11 -7.859 0.843 -11.604 102 1HB ARG 11 2HB ARG 11 -10.045 0.405 -10.721 103 2HB ARG 11 1HB ARG 11 -10.835 1.094 -12.137 104 1HG ARG 11 2HG ARG 11 -9.021 -1.260 -12.522 105 2HG ARG 11 1HG ARG 11 -10.631 -1.536 -11.854 106 1HD ARG 11 2HD ARG 11 -10.777 0.293 -14.106 107 2HD ARG 11 1HD ARG 11 -9.999 -1.231 -14.578 108 HE ARG 11 HE ARG 11 -12.040 -2.239 -13.193 109 1HH1 ARG 11 1HH2 ARG 11 -12.439 -1.984 -16.126 110 2HH1 ARG 11 2HH2 ARG 11 -13.885 -1.038 -16.230 111 1HH2 ARG 11 1HH1 ARG 11 -13.715 0.063 -12.947 112 2HH2 ARG 11 2HH1 ARG 11 -14.609 0.121 -14.428 113 H SER 12 H SER 12 -9.836 2.505 -14.076 114 HA SER 12 HA SER 12 -8.904 0.860 -16.285 115 1HB SER 12 2HB SER 12 -11.012 2.370 -15.976 116 2HB SER 12 1HB SER 12 -9.951 3.680 -16.489 117 HG SER 12 HG SER 12 -10.208 2.980 -18.442 118 H LEU 13 H LEU 13 -7.856 3.964 -14.874 119 HA LEU 13 HA LEU 13 -6.072 4.858 -16.886 120 1HB LEU 13 2HB LEU 13 -6.201 5.016 -13.878 121 2HB LEU 13 1HB LEU 13 -4.870 5.766 -14.743 122 HG LEU 13 HG LEU 13 -7.345 6.920 -14.188 123 1HD1 LEU 13 1HD1 LEU 13 -5.015 7.550 -15.958 124 2HD1 LEU 13 2HD1 LEU 13 -5.559 8.360 -14.488 125 3HD1 LEU 13 3HD1 LEU 13 -6.427 8.607 -16.004 126 1HD2 LEU 13 1HD2 LEU 13 -8.414 7.344 -16.327 127 2HD2 LEU 13 2HD2 LEU 13 -8.346 5.602 -16.072 128 3HD2 LEU 13 3HD2 LEU 13 -7.204 6.377 -17.170 129 H ALA 14 H ALA 14 -5.345 2.736 -14.106 130 HA ALA 14 HA ALA 14 -2.582 2.337 -14.840 131 1HB ALA 14 1HB ALA 14 -2.976 1.912 -12.629 132 2HB ALA 14 2HB ALA 14 -3.200 0.270 -13.225 133 3HB ALA 14 3HB ALA 14 -4.602 1.300 -12.929 134 H HIS 15 H HIS 15 -5.360 1.179 -16.389 135 HA HIS 15 HA HIS 15 -4.652 -1.575 -16.860 136 1HB HIS 15 2HB HIS 15 -6.874 -0.225 -17.116 137 2HB HIS 15 1HB HIS 15 -6.263 0.146 -18.729 138 HD1 HIS 15 HD1 HIS 15 -4.893 -2.563 -19.364 139 HD2 HIS 15 HD2 HIS 15 -8.726 -2.218 -17.760 140 HE1 HIS 15 HE1 HIS 15 -6.103 -4.713 -19.930 141 H ASN 16 H ASN 16 -4.193 1.370 -18.880 142 HA ASN 16 HA ASN 16 -2.673 -0.215 -20.864 143 1HB ASN 16 2HB ASN 16 -4.411 1.697 -21.217 144 2HB ASN 16 1HB ASN 16 -3.064 2.772 -20.841 145 1HD2 ASN 16 1HD2 ASN 16 -1.085 2.551 -22.262 146 2HD2 ASN 16 2HD2 ASN 16 -1.280 2.011 -23.859 147 H ILE 17 H ILE 17 -1.820 1.066 -17.944 148 HA ILE 17 HA ILE 17 0.714 2.297 -18.791 149 HB ILE 17 HB ILE 17 -0.108 1.773 -15.963 150 1HG1 ILE 17 2HG1 ILE 17 -1.505 3.612 -17.917 151 2HG1 ILE 17 1HG1 ILE 17 -2.206 2.519 -16.734 152 1HG2 ILE 17 1HG2 ILE 17 1.954 2.882 -16.251 153 2HG2 ILE 17 2HG2 ILE 17 0.818 4.145 -15.820 154 3HG2 ILE 17 3HG2 ILE 17 1.301 3.934 -17.501 155 1HD1 ILE 17 1HD1 ILE 17 -0.786 5.131 -16.175 156 2HD1 ILE 17 2HD1 ILE 17 -1.278 3.993 -14.923 157 3HD1 ILE 17 3HD1 ILE 17 -2.495 4.776 -15.929 158 H ASP 18 H ASP 18 2.647 1.513 -17.278 159 HA ASP 18 HA ASP 18 2.784 -1.444 -17.552 160 1HB ASP 18 2HB ASP 18 4.650 0.873 -17.667 161 2HB ASP 18 1HB ASP 18 5.315 -0.644 -17.055 162 HA PRO 19 HA PRO 19 2.635 -2.087 -13.192 163 1HB PRO 19 2HB PRO 19 4.239 -4.297 -12.993 164 2HB PRO 19 1HB PRO 19 2.573 -4.342 -13.605 165 1HG PRO 19 2HG PRO 19 5.139 -4.245 -15.129 166 2HG PRO 19 1HG PRO 19 3.703 -5.246 -15.406 167 1HD PRO 19 2HD PRO 19 4.165 -3.051 -16.866 168 2HD PRO 19 1HD PRO 19 2.513 -3.509 -16.379 169 H ILE 20 H ILE 20 3.687 -0.882 -11.710 170 HA ILE 20 HA ILE 20 6.129 0.410 -11.886 171 HB ILE 20 HB ILE 20 4.224 0.592 -10.236 172 1HG1 ILE 20 2HG1 ILE 20 7.124 0.739 -9.418 173 2HG1 ILE 20 1HG1 ILE 20 6.004 2.035 -9.831 174 1HG2 ILE 20 1HG2 ILE 20 4.335 -0.735 -8.200 175 2HG2 ILE 20 2HG2 ILE 20 5.761 -1.578 -8.798 176 3HG2 ILE 20 3HG2 ILE 20 4.204 -1.801 -9.598 177 1HD1 ILE 20 1HD1 ILE 20 5.797 0.303 -7.362 178 2HD1 ILE 20 2HD1 ILE 20 4.735 1.642 -7.783 179 3HD1 ILE 20 3HD1 ILE 20 6.427 1.948 -7.399 180 H PHE 21 H PHE 21 5.607 -2.833 -10.420 181 HA PHE 21 HA PHE 21 8.311 -3.670 -11.214 182 1HB PHE 21 2HB PHE 21 7.430 -3.134 -8.386 183 2HB PHE 21 1HB PHE 21 8.747 -4.252 -8.734 184 HD1 PHE 21 HD1 PHE 21 8.153 -1.064 -7.785 185 HD2 PHE 21 HD2 PHE 21 10.318 -3.184 -10.801 186 HE1 PHE 21 HE1 PHE 21 9.645 0.880 -8.060 187 HE2 PHE 21 HE2 PHE 21 11.825 -1.231 -11.095 188 HZ PHE 21 HZ PHE 21 11.478 0.814 -9.725 189 H GLN 22 H GLN 22 8.634 -6.020 -10.727 190 HA GLN 22 HA GLN 22 6.007 -7.455 -10.597 191 1HB GLN 22 2HB GLN 22 8.674 -8.023 -11.910 192 2HB GLN 22 1HB GLN 22 7.398 -9.235 -11.800 193 1HG GLN 22 2HG GLN 22 6.094 -8.196 -13.362 194 2HG GLN 22 1HG GLN 22 6.554 -6.581 -12.817 195 1HE2 GLN 22 1HE2 GLN 22 6.922 -8.699 -15.398 196 2HE2 GLN 22 2HE2 GLN 22 8.360 -8.076 -16.050 197 H ILE 23 H ILE 23 5.683 -8.860 -8.923 198 HA ILE 23 HA ILE 23 7.823 -9.287 -6.935 199 HB ILE 23 HB ILE 23 4.935 -9.146 -7.044 200 1HG1 ILE 23 2HG1 ILE 23 6.785 -9.427 -4.669 201 2HG1 ILE 23 1HG1 ILE 23 6.526 -7.924 -5.554 202 1HG2 ILE 23 1HG2 ILE 23 4.934 -11.021 -5.034 203 2HG2 ILE 23 2HG2 ILE 23 5.943 -11.814 -6.230 204 3HG2 ILE 23 3HG2 ILE 23 4.316 -11.302 -6.651 205 1HD1 ILE 23 1HD1 ILE 23 4.127 -8.011 -5.031 206 2HD1 ILE 23 2HD1 ILE 23 5.078 -8.060 -3.548 207 3HD1 ILE 23 3HD1 ILE 23 4.356 -9.539 -4.181 208 H GLY 24 H GLY 24 8.671 -11.385 -6.450 209 1HA GLY 24 2HA GLY 24 8.603 -13.258 -8.720 210 2HA GLY 24 1HA GLY 24 9.628 -13.399 -7.289 211 H LYS 25 H LYS 25 8.061 -15.552 -8.411 212 HA LYS 25 HA LYS 25 5.597 -15.916 -6.998 213 1HB LYS 25 2HB LYS 25 6.245 -17.165 -9.006 214 2HB LYS 25 1HB LYS 25 7.595 -17.895 -8.136 215 1HG LYS 25 2HG LYS 25 4.927 -18.196 -6.870 216 2HG LYS 25 1HG LYS 25 5.172 -19.087 -8.372 217 1HD LYS 25 2HD LYS 25 7.296 -20.011 -7.407 218 2HD LYS 25 1HD LYS 25 6.888 -19.231 -5.878 219 1HE LYS 25 2HE LYS 25 5.726 -21.120 -5.375 220 2HE LYS 25 1HE LYS 25 4.552 -20.611 -6.604 221 1HZ LYS 25 1HZ LYS 25 6.935 -22.336 -6.966 222 2HZ LYS 25 2HZ LYS 25 6.138 -21.601 -8.274 223 3HZ LYS 25 3HZ LYS 25 5.315 -22.717 -7.292 224 H GLY 26 H GLY 26 5.312 -16.260 -4.860 225 1HA GLY 26 2HA GLY 26 6.304 -18.095 -3.158 226 2HA GLY 26 1HA GLY 26 7.633 -16.932 -3.167 227 H GLY 27 H GLY 27 6.156 -14.530 -3.365 228 1HA GLY 27 2HA GLY 27 3.965 -14.046 -1.801 229 2HA GLY 27 1HA GLY 27 5.231 -14.303 -0.595 230 H ILE 28 H ILE 28 4.085 -11.788 -0.730 231 HA ILE 28 HA ILE 28 5.390 -9.975 -2.528 232 HB ILE 28 HB ILE 28 4.170 -9.706 0.238 233 1HG1 ILE 28 2HG1 ILE 28 3.159 -9.073 -2.552 234 2HG1 ILE 28 1HG1 ILE 28 2.659 -10.440 -1.559 235 1HG2 ILE 28 1HG2 ILE 28 5.560 -7.791 0.045 236 2HG2 ILE 28 2HG2 ILE 28 3.973 -7.241 -0.490 237 3HG2 ILE 28 3HG2 ILE 28 5.221 -7.617 -1.676 238 1HD1 ILE 28 1HD1 ILE 28 1.424 -7.975 -1.605 239 2HD1 ILE 28 2HD1 ILE 28 2.444 -7.868 -0.171 240 3HD1 ILE 28 3HD1 ILE 28 1.263 -9.168 -0.319 241 H ASN 29 H ASN 29 7.583 -9.698 -2.588 242 HA ASN 29 HA ASN 29 9.199 -10.166 -0.136 243 1HB ASN 29 2HB ASN 29 9.436 -10.743 -2.864 244 2HB ASN 29 1HB ASN 29 10.606 -9.453 -2.588 245 1HD2 ASN 29 1HD2 ASN 29 11.660 -11.941 -3.187 246 2HD2 ASN 29 2HD2 ASN 29 12.332 -12.653 -1.800 247 H GLU 30 H GLU 30 10.121 -8.450 0.983 248 HA GLU 30 HA GLU 30 9.401 -5.746 0.559 249 1HB GLU 30 2HB GLU 30 10.355 -6.670 2.641 250 2HB GLU 30 1HB GLU 30 11.898 -6.928 1.824 251 1HG GLU 30 2HG GLU 30 12.352 -4.634 1.663 252 2HG GLU 30 1HG GLU 30 10.653 -4.189 1.831 253 H ASN 31 H ASN 31 12.124 -7.621 -0.749 254 HA ASN 31 HA ASN 31 13.730 -5.566 -1.814 255 1HB ASN 31 2HB ASN 31 13.037 -8.388 -2.486 256 2HB ASN 31 1HB ASN 31 13.864 -7.463 -3.739 257 1HD2 ASN 31 1HD2 ASN 31 14.150 -8.075 -0.188 258 2HD2 ASN 31 2HD2 ASN 31 15.847 -8.113 -0.188 259 H MET 32 H MET 32 10.828 -7.095 -3.216 260 HA MET 32 HA MET 32 10.790 -5.452 -5.596 261 1HB MET 32 2HB MET 32 9.150 -7.482 -4.218 262 2HB MET 32 1HB MET 32 8.213 -6.326 -5.167 263 1HG MET 32 2HG MET 32 8.741 -7.579 -6.972 264 2HG MET 32 1HG MET 32 10.369 -6.920 -6.818 265 1HE MET 32 1HE MET 32 12.133 -9.594 -7.304 266 2HE MET 32 2HE MET 32 10.948 -8.596 -8.142 267 3HE MET 32 3HE MET 32 10.659 -10.325 -7.958 268 H ILE 33 H ILE 33 9.191 -5.256 -2.396 269 HA ILE 33 HA ILE 33 7.631 -2.915 -3.030 270 HB ILE 33 HB ILE 33 8.670 -3.957 -0.383 271 1HG1 ILE 33 2HG1 ILE 33 6.054 -4.398 -1.864 272 2HG1 ILE 33 1HG1 ILE 33 7.316 -5.606 -1.619 273 1HG2 ILE 33 1HG2 ILE 33 6.132 -2.546 -0.346 274 2HG2 ILE 33 2HG2 ILE 33 7.389 -1.519 -1.035 275 3HG2 ILE 33 3HG2 ILE 33 7.596 -2.205 0.575 276 1HD1 ILE 33 1HD1 ILE 33 6.487 -4.318 0.873 277 2HD1 ILE 33 2HD1 ILE 33 6.644 -6.033 0.492 278 3HD1 ILE 33 3HD1 ILE 33 5.167 -5.167 0.070 279 H LYS 34 H LYS 34 10.943 -3.433 -1.929 280 HA LYS 34 HA LYS 34 11.577 -0.841 -0.973 281 1HB LYS 34 2HB LYS 34 13.069 -3.042 -2.405 282 2HB LYS 34 1HB LYS 34 13.894 -1.542 -1.984 283 1HG LYS 34 2HG LYS 34 12.397 -2.398 0.296 284 2HG LYS 34 1HG LYS 34 13.332 -3.773 -0.291 285 1HD LYS 34 2HD LYS 34 15.238 -1.904 -0.486 286 2HD LYS 34 1HD LYS 34 14.281 -1.159 0.796 287 1HE LYS 34 2HE LYS 34 14.343 -3.574 1.861 288 2HE LYS 34 1HE LYS 34 15.775 -3.766 0.830 289 1HZ LYS 34 1HZ LYS 34 16.392 -2.795 2.955 290 2HZ LYS 34 2HZ LYS 34 15.282 -1.529 2.726 291 3HZ LYS 34 3HZ LYS 34 16.633 -1.674 1.706 292 H GLN 35 H GLN 35 11.597 -2.209 -4.246 293 HA GLN 35 HA GLN 35 12.344 0.270 -5.581 294 1HB GLN 35 2HB GLN 35 11.909 -2.524 -6.135 295 2HB GLN 35 1HB GLN 35 11.023 -1.563 -7.314 296 1HG GLN 35 2HG GLN 35 12.937 -0.628 -8.201 297 2HG GLN 35 1HG GLN 35 13.813 -0.720 -6.674 298 1HE2 GLN 35 1HE2 GLN 35 12.074 -3.443 -8.199 299 2HE2 GLN 35 2HE2 GLN 35 13.460 -4.381 -8.481 300 H ILE 36 H ILE 36 9.267 -1.576 -5.267 301 HA ILE 36 HA ILE 36 7.544 0.222 -6.635 302 HB ILE 36 HB ILE 36 7.087 -1.505 -4.187 303 1HG1 ILE 36 2HG1 ILE 36 6.493 -2.086 -7.090 304 2HG1 ILE 36 1HG1 ILE 36 7.975 -2.611 -6.291 305 1HG2 ILE 36 1HG2 ILE 36 4.942 -0.827 -4.209 306 2HG2 ILE 36 2HG2 ILE 36 4.806 -1.212 -5.925 307 3HG2 ILE 36 3HG2 ILE 36 5.371 0.380 -5.421 308 1HD1 ILE 36 1HD1 ILE 36 6.882 -4.141 -4.968 309 2HD1 ILE 36 2HD1 ILE 36 5.801 -4.158 -6.363 310 3HD1 ILE 36 3HD1 ILE 36 5.389 -3.204 -4.938 311 H ASP 37 H ASP 37 8.734 0.171 -3.324 312 HA ASP 37 HA ASP 37 7.155 2.100 -2.064 313 1HB ASP 37 2HB ASP 37 8.807 0.692 -0.954 314 2HB ASP 37 1HB ASP 37 10.116 1.475 -1.839 315 H ASP 38 H ASP 38 10.264 2.605 -3.771 316 HA ASP 38 HA ASP 38 10.097 5.508 -3.613 317 1HB ASP 38 2HB ASP 38 12.051 3.657 -3.924 318 2HB ASP 38 1HB ASP 38 11.838 4.155 -5.603 319 H THR 39 H THR 39 9.337 3.083 -6.121 320 HA THR 39 HA THR 39 8.884 5.119 -8.176 321 HB THR 39 HB THR 39 8.221 2.178 -8.047 322 HG1 THR 39 HG1 THR 39 10.459 2.821 -7.851 323 1HG2 THR 39 1HG2 THR 39 7.895 2.285 -10.396 324 2HG2 THR 39 2HG2 THR 39 8.586 3.902 -10.496 325 3HG2 THR 39 3HG2 THR 39 7.004 3.666 -9.756 326 H LEU 40 H LEU 40 6.903 3.541 -5.745 327 HA LEU 40 HA LEU 40 4.422 4.471 -7.065 328 1HB LEU 40 2HB LEU 40 3.319 3.107 -5.471 329 2HB LEU 40 1HB LEU 40 4.806 2.231 -5.818 330 HG LEU 40 HG LEU 40 5.756 3.580 -3.770 331 1HD1 LEU 40 1HD1 LEU 40 3.379 3.499 -2.277 332 2HD1 LEU 40 2HD1 LEU 40 2.935 4.292 -3.790 333 3HD1 LEU 40 3HD1 LEU 40 4.240 4.946 -2.801 334 1HD2 LEU 40 1HD2 LEU 40 5.728 1.395 -3.155 335 2HD2 LEU 40 2HD2 LEU 40 4.216 1.098 -4.010 336 3HD2 LEU 40 3HD2 LEU 40 4.189 1.756 -2.377 337 H GLU 41 H GLU 41 6.524 5.294 -4.360 338 HA GLU 41 HA GLU 41 4.734 7.235 -3.155 339 1HB GLU 41 2HB GLU 41 6.589 6.061 -1.996 340 2HB GLU 41 1HB GLU 41 7.750 6.889 -3.033 341 1HG GLU 41 2HG GLU 41 6.611 9.069 -2.186 342 2HG GLU 41 1HG GLU 41 5.978 8.052 -0.892 343 H ASN 42 H ASN 42 6.974 7.282 -5.836 344 HA ASN 42 HA ASN 42 7.078 10.246 -5.894 345 1HB ASN 42 2HB ASN 42 8.401 7.934 -7.277 346 2HB ASN 42 1HB ASN 42 8.449 9.522 -8.043 347 1HD2 ASN 42 1HD2 ASN 42 10.569 10.235 -7.599 348 2HD2 ASN 42 2HD2 ASN 42 11.236 10.322 -6.041 349 H ARG 43 H ARG 43 5.512 7.553 -7.559 350 HA ARG 43 HA ARG 43 4.386 9.408 -9.604 351 1HB ARG 43 2HB ARG 43 4.847 6.485 -9.265 352 2HB ARG 43 1HB ARG 43 3.454 6.955 -10.238 353 1HG ARG 43 2HG ARG 43 4.747 7.737 -11.932 354 2HG ARG 43 1HG ARG 43 5.901 8.486 -10.828 355 1HD ARG 43 2HD ARG 43 7.261 6.790 -11.612 356 2HD ARG 43 1HD ARG 43 6.433 5.863 -10.346 357 HE ARG 43 HE ARG 43 4.683 5.477 -12.311 358 1HH1 ARG 43 1HH2 ARG 43 7.021 6.637 -14.062 359 2HH1 ARG 43 2HH2 ARG 43 7.625 5.164 -14.744 360 1HH2 ARG 43 1HH1 ARG 43 5.932 3.125 -12.508 361 2HH2 ARG 43 2HH1 ARG 43 7.010 3.174 -13.862 362 H GLU 44 H GLU 44 1.955 8.219 -10.113 363 HA GLU 44 HA GLU 44 0.456 8.589 -7.537 364 1HB GLU 44 2HB GLU 44 0.327 9.838 -10.151 365 2HB GLU 44 1HB GLU 44 -1.221 9.094 -9.746 366 1HG GLU 44 2HG GLU 44 -1.382 11.250 -8.799 367 2HG GLU 44 1HG GLU 44 -0.926 10.230 -7.435 368 H LEU 45 H LEU 45 0.238 7.038 -10.764 369 HA LEU 45 HA LEU 45 -1.513 4.926 -9.556 370 1HB LEU 45 2HB LEU 45 -2.355 6.262 -11.480 371 2HB LEU 45 1HB LEU 45 -0.985 5.709 -12.441 372 HG LEU 45 HG LEU 45 -1.744 3.397 -12.320 373 1HD1 LEU 45 1HD1 LEU 45 -4.232 3.386 -11.159 374 2HD1 LEU 45 2HD1 LEU 45 -3.350 4.487 -10.100 375 3HD1 LEU 45 3HD1 LEU 45 -2.753 2.847 -10.363 376 1HD2 LEU 45 1HD2 LEU 45 -3.468 5.579 -13.269 377 2HD2 LEU 45 2HD2 LEU 45 -4.370 4.100 -12.943 378 3HD2 LEU 45 3HD2 LEU 45 -3.021 4.078 -14.075 379 H ILE 46 H ILE 46 -0.576 2.943 -9.249 380 HA ILE 46 HA ILE 46 1.772 2.237 -10.957 381 HB ILE 46 HB ILE 46 2.688 1.190 -8.790 382 1HG1 ILE 46 2HG1 ILE 46 1.136 3.230 -7.281 383 2HG1 ILE 46 1HG1 ILE 46 0.246 1.786 -7.761 384 1HG2 ILE 46 1HG2 ILE 46 2.760 3.867 -9.831 385 2HG2 ILE 46 2HG2 ILE 46 4.033 2.979 -8.994 386 3HG2 ILE 46 3HG2 ILE 46 2.870 3.933 -8.072 387 1HD1 ILE 46 1HD1 ILE 46 1.505 0.396 -6.425 388 2HD1 ILE 46 2HD1 ILE 46 1.671 1.883 -5.491 389 3HD1 ILE 46 3HD1 ILE 46 2.958 1.382 -6.589 390 H LYS 47 H LYS 47 1.381 0.388 -11.972 391 HA LYS 47 HA LYS 47 -0.655 -1.529 -10.945 392 1HB LYS 47 2HB LYS 47 0.638 -2.560 -13.281 393 2HB LYS 47 1HB LYS 47 -0.993 -1.923 -13.164 394 1HG LYS 47 2HG LYS 47 1.444 -0.204 -13.663 395 2HG LYS 47 1HG LYS 47 0.441 -0.862 -14.944 396 1HD LYS 47 2HD LYS 47 -1.079 0.768 -14.679 397 2HD LYS 47 1HD LYS 47 -1.255 0.367 -12.978 398 1HE LYS 47 2HE LYS 47 -0.442 2.787 -13.674 399 2HE LYS 47 1HE LYS 47 0.312 1.981 -12.301 400 1HZ LYS 47 1HZ LYS 47 1.426 1.425 -14.944 401 2HZ LYS 47 2HZ LYS 47 2.209 1.569 -13.446 402 3HZ LYS 47 3HZ LYS 47 1.729 2.959 -14.292 403 H VAL 48 H VAL 48 0.121 -3.611 -10.053 404 HA VAL 48 HA VAL 48 3.090 -3.886 -10.112 405 HB VAL 48 HB VAL 48 1.012 -4.101 -7.924 406 1HG1 VAL 48 1HG1 VAL 48 2.469 -6.065 -7.758 407 2HG1 VAL 48 2HG1 VAL 48 2.761 -4.934 -6.436 408 3HG1 VAL 48 3HG1 VAL 48 3.887 -5.015 -7.794 409 1HG2 VAL 48 1HG2 VAL 48 2.048 -2.260 -7.014 410 2HG2 VAL 48 2HG2 VAL 48 2.441 -1.977 -8.710 411 3HG2 VAL 48 3HG2 VAL 48 3.635 -2.711 -7.639 412 H HIS 49 H HIS 49 3.707 -5.842 -11.000 413 HA HIS 49 HA HIS 49 1.692 -7.968 -11.414 414 1HB HIS 49 2HB HIS 49 3.350 -7.168 -13.135 415 2HB HIS 49 1HB HIS 49 4.636 -7.841 -12.131 416 HD1 HIS 49 HD1 HIS 49 2.556 -8.738 -14.889 417 HD2 HIS 49 HD2 HIS 49 3.975 -10.789 -11.548 418 HE1 HIS 49 HE1 HIS 49 2.332 -11.204 -15.415 419 H VAL 50 H VAL 50 1.459 -9.635 -10.006 420 HA VAL 50 HA VAL 50 3.716 -10.269 -8.127 421 HB VAL 50 HB VAL 50 0.700 -10.587 -7.901 422 1HG1 VAL 50 1HG1 VAL 50 2.408 -10.835 -5.502 423 2HG1 VAL 50 2HG1 VAL 50 2.555 -12.157 -6.660 424 3HG1 VAL 50 3HG1 VAL 50 0.981 -11.760 -5.970 425 1HG2 VAL 50 1HG2 VAL 50 1.479 -8.955 -5.864 426 2HG2 VAL 50 2HG2 VAL 50 0.919 -8.364 -7.429 427 3HG2 VAL 50 3HG2 VAL 50 2.647 -8.501 -7.105 428 H LEU 51 H LEU 51 4.527 -12.287 -8.191 429 HA LEU 51 HA LEU 51 3.536 -14.104 -10.243 430 1HB LEU 51 2HB LEU 51 5.945 -13.535 -8.707 431 2HB LEU 51 1HB LEU 51 5.686 -15.249 -8.994 432 HG LEU 51 HG LEU 51 6.998 -14.247 -10.830 433 1HD1 LEU 51 1HD1 LEU 51 4.749 -14.631 -12.495 434 2HD1 LEU 51 2HD1 LEU 51 4.491 -15.660 -11.087 435 3HD1 LEU 51 3HD1 LEU 51 5.961 -15.832 -12.046 436 1HD2 LEU 51 1HD2 LEU 51 6.437 -12.267 -11.788 437 2HD2 LEU 51 2HD2 LEU 51 5.325 -12.065 -10.435 438 3HD2 LEU 51 3HD2 LEU 51 4.747 -12.741 -11.958 439 H GLN 52 H GLN 52 1.816 -13.826 -7.880 440 HA GLN 52 HA GLN 52 2.228 -16.178 -6.191 441 1HB GLN 52 2HB GLN 52 0.666 -13.787 -6.258 442 2HB GLN 52 1HB GLN 52 -0.452 -15.147 -6.135 443 1HG GLN 52 2HG GLN 52 1.929 -14.635 -4.325 444 2HG GLN 52 1HG GLN 52 0.233 -14.412 -3.894 445 1HE2 GLN 52 1HE2 GLN 52 2.769 -16.643 -3.750 446 2HE2 GLN 52 2HE2 GLN 52 1.855 -18.052 -3.505 447 H ASN 53 H ASN 53 0.639 -15.465 -9.209 448 HA ASN 53 HA ASN 53 -0.555 -16.837 -10.711 449 1HB ASN 53 2HB ASN 53 1.479 -18.318 -9.470 450 2HB ASN 53 1HB ASN 53 0.057 -19.359 -9.398 451 1HD2 ASN 53 1HD2 ASN 53 -0.908 -20.053 -11.438 452 2HD2 ASN 53 2HD2 ASN 53 -0.084 -19.875 -12.912 453 H ASN 54 H ASN 54 -1.622 -16.172 -7.798 454 HA ASN 54 HA ASN 54 -3.916 -18.100 -7.935 455 1HB ASN 54 2HB ASN 54 -2.254 -18.366 -6.036 456 2HB ASN 54 1HB ASN 54 -2.745 -16.768 -5.484 457 1HD2 ASN 54 1HD2 ASN 54 -3.179 -19.530 -4.238 458 2HD2 ASN 54 2HD2 ASN 54 -4.854 -19.616 -3.976 459 H PHE 55 H PHE 55 -5.996 -17.157 -7.430 460 HA PHE 55 HA PHE 55 -6.185 -14.302 -8.110 461 1HB PHE 55 2HB PHE 55 -7.846 -16.713 -8.066 462 2HB PHE 55 1HB PHE 55 -8.716 -15.276 -7.527 463 HD1 PHE 55 HD1 PHE 55 -8.578 -13.162 -8.986 464 HD2 PHE 55 HD2 PHE 55 -7.415 -17.063 -10.361 465 HE1 PHE 55 HE1 PHE 55 -8.765 -12.390 -11.335 466 HE2 PHE 55 HE2 PHE 55 -7.602 -16.291 -12.710 467 HZ PHE 55 HZ PHE 55 -8.278 -13.955 -13.197 468 H ASP 56 H ASP 56 -7.529 -16.293 -5.421 469 HA ASP 56 HA ASP 56 -8.212 -13.990 -3.849 470 1HB ASP 56 2HB ASP 56 -7.780 -16.875 -3.057 471 2HB ASP 56 1HB ASP 56 -8.681 -15.682 -2.123 472 H ASP 57 H ASP 57 -5.233 -15.378 -4.448 473 HA ASP 57 HA ASP 57 -4.051 -14.659 -1.830 474 1HB ASP 57 2HB ASP 57 -3.565 -16.618 -3.664 475 2HB ASP 57 1HB ASP 57 -2.353 -15.426 -4.134 476 H LYS 58 H LYS 58 -3.710 -13.739 -5.277 477 HA LYS 58 HA LYS 58 -1.833 -11.652 -5.013 478 1HB LYS 58 2HB LYS 58 -4.098 -12.367 -6.826 479 2HB LYS 58 1HB LYS 58 -3.435 -10.738 -6.976 480 1HG LYS 58 2HG LYS 58 -1.191 -11.648 -7.310 481 2HG LYS 58 1HG LYS 58 -1.797 -13.286 -7.073 482 1HD LYS 58 2HD LYS 58 -3.474 -12.511 -9.023 483 2HD LYS 58 1HD LYS 58 -2.101 -11.476 -9.418 484 1HE LYS 58 2HE LYS 58 -0.919 -13.233 -10.236 485 2HE LYS 58 1HE LYS 58 -1.258 -14.206 -8.791 486 1HZ LYS 58 1HZ LYS 58 -3.317 -14.868 -9.621 487 2HZ LYS 58 2HZ LYS 58 -2.302 -14.963 -10.980 488 3HZ LYS 58 3HZ LYS 58 -3.357 -13.644 -10.794 489 H LYS 59 H LYS 59 -5.341 -11.655 -4.465 490 HA LYS 59 HA LYS 59 -5.620 -8.828 -3.978 491 1HB LYS 59 2HB LYS 59 -7.363 -10.679 -4.483 492 2HB LYS 59 1HB LYS 59 -7.273 -11.046 -2.758 493 1HG LYS 59 2HG LYS 59 -7.730 -8.571 -2.339 494 2HG LYS 59 1HG LYS 59 -8.119 -8.447 -4.054 495 1HD LYS 59 2HD LYS 59 -10.169 -8.819 -2.773 496 2HD LYS 59 1HD LYS 59 -9.826 -10.232 -3.772 497 1HE LYS 59 2HE LYS 59 -9.816 -11.524 -1.914 498 2HE LYS 59 1HE LYS 59 -8.471 -10.565 -1.263 499 1HZ LYS 59 1HZ LYS 59 -10.390 -10.381 0.182 500 2HZ LYS 59 2HZ LYS 59 -11.357 -9.862 -1.116 501 3HZ LYS 59 3HZ LYS 59 -10.083 -8.886 -0.558 502 H GLU 60 H GLU 60 -5.353 -11.635 -1.740 503 HA GLU 60 HA GLU 60 -5.246 -10.151 0.689 504 1HB GLU 60 2HB GLU 60 -5.373 -12.717 0.132 505 2HB GLU 60 1HB GLU 60 -3.611 -12.635 0.172 506 1HG GLU 60 2HG GLU 60 -3.555 -12.070 2.439 507 2HG GLU 60 1HG GLU 60 -5.204 -11.446 2.425 508 H LEU 61 H LEU 61 -2.689 -11.012 -1.652 509 HA LEU 61 HA LEU 61 -0.439 -10.107 -0.163 510 1HB LEU 61 2HB LEU 61 -1.199 -10.559 -3.007 511 2HB LEU 61 1HB LEU 61 0.200 -9.516 -2.742 512 HG LEU 61 HG LEU 61 1.006 -11.362 -1.107 513 1HD1 LEU 61 1HD1 LEU 61 -1.275 -12.508 -1.213 514 2HD1 LEU 61 2HD1 LEU 61 0.127 -13.559 -1.421 515 3HD1 LEU 61 3HD1 LEU 61 -0.816 -13.058 -2.824 516 1HD2 LEU 61 1HD2 LEU 61 2.260 -12.359 -2.830 517 2HD2 LEU 61 2HD2 LEU 61 1.800 -10.812 -3.539 518 3HD2 LEU 61 3HD2 LEU 61 0.924 -12.278 -3.979 519 H ALA 62 H ALA 62 -2.800 -8.369 -2.191 520 HA ALA 62 HA ALA 62 -1.560 -5.794 -2.098 521 1HB ALA 62 1HB ALA 62 -3.573 -6.660 -3.460 522 2HB ALA 62 2HB ALA 62 -3.679 -5.014 -2.836 523 3HB ALA 62 3HB ALA 62 -4.531 -6.323 -2.017 524 H GLU 63 H GLU 63 -3.491 -7.625 0.214 525 HA GLU 63 HA GLU 63 -4.138 -5.524 2.014 526 1HB GLU 63 2HB GLU 63 -4.468 -8.266 1.835 527 2HB GLU 63 1HB GLU 63 -3.397 -8.090 3.226 528 1HG GLU 63 2HG GLU 63 -5.111 -6.194 3.899 529 2HG GLU 63 1HG GLU 63 -6.198 -7.099 2.845 530 H THR 64 H THR 64 -1.302 -7.354 1.438 531 HA THR 64 HA THR 64 0.218 -6.233 3.703 532 HB THR 64 HB THR 64 1.044 -7.943 1.329 533 HG1 THR 64 HG1 THR 64 0.287 -9.572 2.413 534 1HG2 THR 64 1HG2 THR 64 2.373 -7.237 3.949 535 2HG2 THR 64 2HG2 THR 64 2.996 -6.996 2.317 536 3HG2 THR 64 3HG2 THR 64 2.866 -8.625 2.979 537 H LEU 65 H LEU 65 0.159 -5.998 0.137 538 HA LEU 65 HA LEU 65 2.330 -4.080 -0.017 539 1HB LEU 65 2HB LEU 65 0.218 -5.228 -1.801 540 2HB LEU 65 1HB LEU 65 1.090 -3.798 -2.351 541 HG LEU 65 HG LEU 65 2.522 -6.234 -1.294 542 1HD1 LEU 65 1HD1 LEU 65 2.578 -5.884 -4.188 543 2HD1 LEU 65 2HD1 LEU 65 0.946 -6.198 -3.598 544 3HD1 LEU 65 3HD1 LEU 65 2.246 -7.338 -3.246 545 1HD2 LEU 65 1HD2 LEU 65 4.192 -5.108 -3.039 546 2HD2 LEU 65 2HD2 LEU 65 4.071 -4.522 -1.380 547 3HD2 LEU 65 3HD2 LEU 65 3.222 -3.680 -2.675 548 H SER 66 H SER 66 -1.237 -3.751 -0.404 549 HA SER 66 HA SER 66 -1.330 -0.931 -0.664 550 1HB SER 66 2HB SER 66 -3.219 -2.470 -1.009 551 2HB SER 66 1HB SER 66 -3.225 -2.870 0.706 552 HG SER 66 HG SER 66 -3.485 -0.216 -0.240 553 H GLU 67 H GLU 67 -1.490 -2.918 2.327 554 HA GLU 67 HA GLU 67 -1.713 -0.747 4.170 555 1HB GLU 67 2HB GLU 67 -0.644 -3.571 4.270 556 2HB GLU 67 1HB GLU 67 -0.660 -2.550 5.708 557 1HG GLU 67 2HG GLU 67 -3.115 -2.182 5.354 558 2HG GLU 67 1HG GLU 67 -3.057 -3.339 4.026 559 H ALA 68 H ALA 68 1.103 -2.234 2.613 560 HA ALA 68 HA ALA 68 3.030 -0.701 4.225 561 1HB ALA 68 1HB ALA 68 3.168 -2.549 1.827 562 2HB ALA 68 2HB ALA 68 3.617 -2.915 3.492 563 3HB ALA 68 3HB ALA 68 4.600 -1.806 2.538 564 H THR 69 H THR 69 2.040 -0.780 0.788 565 HA THR 69 HA THR 69 3.558 1.478 -0.078 566 HB THR 69 HB THR 69 1.888 1.392 -1.968 567 HG1 THR 69 HG1 THR 69 0.088 0.327 -1.718 568 1HG2 THR 69 1HG2 THR 69 2.520 -0.813 -2.707 569 2HG2 THR 69 2HG2 THR 69 2.765 -1.355 -1.048 570 3HG2 THR 69 3HG2 THR 69 3.862 -0.173 -1.759 571 H ARG 70 H ARG 70 0.750 1.306 1.926 572 HA ARG 70 HA ARG 70 -0.673 2.985 2.780 573 1HB ARG 70 2HB ARG 70 2.016 4.024 2.375 574 2HB ARG 70 1HB ARG 70 0.811 5.308 2.247 575 1HG ARG 70 2HG ARG 70 -0.141 4.675 4.410 576 2HG ARG 70 1HG ARG 70 0.989 3.327 4.536 577 1HD ARG 70 2HD ARG 70 2.661 4.678 5.273 578 2HD ARG 70 1HD ARG 70 2.333 5.890 4.017 579 HE ARG 70 HE ARG 70 0.158 6.057 5.763 580 1HH1 ARG 70 1HH2 ARG 70 3.186 5.458 6.989 581 2HH1 ARG 70 2HH2 ARG 70 3.345 6.954 7.849 582 1HH2 ARG 70 1HH1 ARG 70 0.520 8.376 6.430 583 2HH2 ARG 70 2HH1 ARG 70 1.838 8.605 7.530 584 H SER 71 H SER 71 -1.155 2.186 0.087 585 HA SER 71 HA SER 71 -2.051 4.768 -1.157 586 1HB SER 71 2HB SER 71 -1.807 3.289 -3.284 587 2HB SER 71 1HB SER 71 -0.342 3.885 -2.517 588 HG SER 71 HG SER 71 -1.532 1.383 -1.916 589 H GLU 72 H GLU 72 -3.709 3.607 -3.128 590 HA GLU 72 HA GLU 72 -5.670 2.039 -1.499 591 1HB GLU 72 2HB GLU 72 -5.935 4.604 -3.036 592 2HB GLU 72 1HB GLU 72 -7.328 3.522 -2.970 593 1HG GLU 72 2HG GLU 72 -7.797 4.321 -0.922 594 2HG GLU 72 1HG GLU 72 -6.286 3.622 -0.340 595 H LEU 73 H LEU 73 -5.804 0.051 -2.494 596 HA LEU 73 HA LEU 73 -5.121 -0.582 -5.154 597 1HB LEU 73 2HB LEU 73 -6.126 -1.781 -2.796 598 2HB LEU 73 1HB LEU 73 -7.276 -2.197 -4.055 599 HG LEU 73 HG LEU 73 -4.354 -2.808 -3.885 600 1HD1 LEU 73 1HD1 LEU 73 -6.975 -4.274 -4.115 601 2HD1 LEU 73 2HD1 LEU 73 -5.613 -4.609 -3.044 602 3HD1 LEU 73 3HD1 LEU 73 -5.525 -5.050 -4.750 603 1HD2 LEU 73 1HD2 LEU 73 -4.219 -2.396 -6.137 604 2HD2 LEU 73 2HD2 LEU 73 -5.969 -2.311 -6.312 605 3HD2 LEU 73 3HD2 LEU 73 -5.156 -3.875 -6.306 606 H VAL 74 H VAL 74 -6.203 0.580 -6.875 607 HA VAL 74 HA VAL 74 -9.085 1.029 -6.715 608 HB VAL 74 HB VAL 74 -8.831 1.776 -9.046 609 1HG1 VAL 74 1HG1 VAL 74 -6.870 2.617 -6.972 610 2HG1 VAL 74 2HG1 VAL 74 -8.156 3.544 -7.749 611 3HG1 VAL 74 3HG1 VAL 74 -6.645 3.235 -8.606 612 1HG2 VAL 74 1HG2 VAL 74 -6.019 0.701 -8.809 613 2HG2 VAL 74 2HG2 VAL 74 -6.668 1.607 -10.175 614 3HG2 VAL 74 3HG2 VAL 74 -7.302 0.005 -9.797 615 H GLN 75 H GLN 75 -6.857 -1.452 -7.881 616 HA GLN 75 HA GLN 75 -8.692 -3.542 -7.645 617 1HB GLN 75 2HB GLN 75 -9.083 -1.930 -10.018 618 2HB GLN 75 1HB GLN 75 -8.731 -3.605 -10.447 619 1HG GLN 75 2HG GLN 75 -10.658 -3.183 -8.220 620 2HG GLN 75 1HG GLN 75 -11.218 -2.762 -9.839 621 1HE2 GLN 75 1HE2 GLN 75 -12.295 -4.506 -10.764 622 2HE2 GLN 75 2HE2 GLN 75 -11.853 -6.135 -10.584 623 H VAL 76 H VAL 76 -8.223 -5.425 -9.155 624 HA VAL 76 HA VAL 76 -5.253 -5.694 -9.288 625 HB VAL 76 HB VAL 76 -7.433 -6.994 -7.828 626 1HG1 VAL 76 1HG1 VAL 76 -7.162 -8.799 -9.476 627 2HG1 VAL 76 2HG1 VAL 76 -6.432 -9.299 -7.950 628 3HG1 VAL 76 3HG1 VAL 76 -5.409 -8.755 -9.280 629 1HG2 VAL 76 1HG2 VAL 76 -4.773 -7.851 -7.105 630 2HG2 VAL 76 2HG2 VAL 76 -5.872 -6.783 -6.231 631 3HG2 VAL 76 3HG2 VAL 76 -4.770 -6.119 -7.438 632 H ILE 77 H ILE 77 -4.717 -5.921 -11.451 633 HA ILE 77 HA ILE 77 -6.681 -7.024 -13.359 634 HB ILE 77 HB ILE 77 -4.038 -5.568 -13.413 635 1HG1 ILE 77 2HG1 ILE 77 -6.133 -4.294 -13.089 636 2HG1 ILE 77 1HG1 ILE 77 -5.377 -3.902 -14.635 637 1HG2 ILE 77 1HG2 ILE 77 -4.419 -5.592 -15.970 638 2HG2 ILE 77 2HG2 ILE 77 -5.402 -7.025 -15.663 639 3HG2 ILE 77 3HG2 ILE 77 -3.692 -7.017 -15.227 640 1HD1 ILE 77 1HD1 ILE 77 -7.993 -5.014 -14.138 641 2HD1 ILE 77 2HD1 ILE 77 -7.045 -6.127 -15.126 642 3HD1 ILE 77 3HD1 ILE 77 -7.295 -4.467 -15.662 643 H GLY 78 H GLY 78 -6.672 -9.299 -13.037 644 1HA GLY 78 2HA GLY 78 -5.833 -11.499 -13.025 645 2HA GLY 78 1HA GLY 78 -4.809 -10.909 -14.333 646 H SER 79 H SER 79 -2.661 -11.080 -13.971 647 HA SER 79 HA SER 79 -1.657 -11.754 -11.285 648 1HB SER 79 2HB SER 79 -0.273 -11.348 -13.953 649 2HB SER 79 1HB SER 79 0.427 -12.127 -12.536 650 HG SER 79 HG SER 79 -0.697 -13.417 -14.327 651 H MET 80 H MET 80 -2.551 -8.871 -12.413 652 HA MET 80 HA MET 80 -0.148 -7.461 -11.323 653 1HB MET 80 2HB MET 80 -2.007 -6.982 -13.622 654 2HB MET 80 1HB MET 80 -1.273 -5.586 -12.830 655 1HG MET 80 2HG MET 80 0.967 -6.793 -13.101 656 2HG MET 80 1HG MET 80 0.125 -7.898 -14.188 657 1HE MET 80 1HE MET 80 0.169 -7.853 -16.166 658 2HE MET 80 2HE MET 80 0.603 -6.598 -17.324 659 3HE MET 80 3HE MET 80 -1.069 -6.752 -16.788 660 H ILE 81 H ILE 81 -0.542 -5.822 -9.810 661 HA ILE 81 HA ILE 81 -3.332 -5.674 -8.744 662 HB ILE 81 HB ILE 81 -0.617 -5.047 -7.519 663 1HG1 ILE 81 2HG1 ILE 81 -2.518 -7.358 -7.011 664 2HG1 ILE 81 1HG1 ILE 81 -1.051 -7.466 -7.986 665 1HG2 ILE 81 1HG2 ILE 81 -2.095 -3.723 -6.295 666 2HG2 ILE 81 2HG2 ILE 81 -2.160 -5.236 -5.393 667 3HG2 ILE 81 3HG2 ILE 81 -3.443 -4.834 -6.533 668 1HD1 ILE 81 1HD1 ILE 81 -0.526 -8.238 -5.749 669 2HD1 ILE 81 2HD1 ILE 81 -1.228 -6.784 -5.038 670 3HD1 ILE 81 3HD1 ILE 81 0.253 -6.674 -5.988 671 H VAL 82 H VAL 82 -4.325 -3.692 -8.782 672 HA VAL 82 HA VAL 82 -2.839 -1.417 -10.024 673 HB VAL 82 HB VAL 82 -5.858 -1.861 -9.691 674 1HG1 VAL 82 1HG1 VAL 82 -6.055 -0.204 -11.341 675 2HG1 VAL 82 2HG1 VAL 82 -4.429 -0.477 -11.950 676 3HG1 VAL 82 3HG1 VAL 82 -4.661 0.390 -10.435 677 1HG2 VAL 82 1HG2 VAL 82 -5.554 -2.641 -12.164 678 2HG2 VAL 82 2HG2 VAL 82 -5.134 -3.789 -10.891 679 3HG2 VAL 82 3HG2 VAL 82 -3.864 -2.904 -11.736 680 H ILE 83 H ILE 83 -2.032 -0.097 -8.375 681 HA ILE 83 HA ILE 83 -3.973 0.682 -6.213 682 HB ILE 83 HB ILE 83 -0.964 0.329 -6.039 683 1HG1 ILE 83 2HG1 ILE 83 -3.107 -1.435 -4.827 684 2HG1 ILE 83 1HG1 ILE 83 -2.369 -1.786 -6.388 685 1HG2 ILE 83 1HG2 ILE 83 -1.877 0.224 -3.495 686 2HG2 ILE 83 2HG2 ILE 83 -3.066 1.325 -4.195 687 3HG2 ILE 83 3HG2 ILE 83 -1.349 1.715 -4.275 688 1HD1 ILE 83 1HD1 ILE 83 -0.645 -2.760 -5.331 689 2HD1 ILE 83 2HD1 ILE 83 -1.343 -2.336 -3.767 690 3HD1 ILE 83 3HD1 ILE 83 -0.253 -1.212 -4.582 691 H TYR 84 H TYR 84 -3.805 2.857 -5.471 692 HA TYR 84 HA TYR 84 -2.163 4.692 -7.190 693 1HB TYR 84 2HB TYR 84 -4.495 4.849 -7.810 694 2HB TYR 84 1HB TYR 84 -4.998 4.896 -6.122 695 HD1 TYR 84 HD1 TYR 84 -3.051 6.775 -8.700 696 HD2 TYR 84 HD2 TYR 84 -5.164 6.954 -4.963 697 HE1 TYR 84 HE1 TYR 84 -2.871 9.249 -8.716 698 HE2 TYR 84 HE2 TYR 84 -4.981 9.428 -4.980 699 HH TYR 84 HH TYR 84 -4.703 11.234 -6.919 700 H ARG 85 H ARG 85 -0.543 5.390 -5.781 701 HA ARG 85 HA ARG 85 -1.087 5.643 -2.887 702 1HB ARG 85 2HB ARG 85 1.009 4.690 -3.603 703 2HB ARG 85 1HB ARG 85 1.304 6.022 -4.713 704 1HG ARG 85 2HG ARG 85 2.698 6.443 -2.828 705 2HG ARG 85 1HG ARG 85 1.336 7.545 -2.654 706 1HD ARG 85 2HD ARG 85 0.645 6.538 -0.731 707 2HD ARG 85 1HD ARG 85 0.874 4.914 -1.409 708 HE ARG 85 HE ARG 85 3.386 5.366 -1.059 709 1HH1 ARG 85 1HH1 ARG 85 1.658 7.870 0.300 710 2HH1 ARG 85 2HH1 ARG 85 2.315 7.707 1.894 711 1HH2 ARG 85 1HH2 ARG 85 3.914 4.708 1.215 712 2HH2 ARG 85 2HH2 ARG 85 3.590 5.916 2.413 713 H GLU 86 H GLU 86 -2.092 7.447 -2.216 714 HA GLU 86 HA GLU 86 -3.032 9.684 -2.487 715 1HB GLU 86 2HB GLU 86 -1.548 10.935 -1.046 716 2HB GLU 86 1HB GLU 86 -1.497 9.239 -0.571 717 1HG GLU 86 2HG GLU 86 0.637 8.913 -1.491 718 2HG GLU 86 1HG GLU 86 0.507 10.317 -2.548 719 H SER 87 H SER 87 -1.013 11.940 -2.611 720 HA SER 87 HA SER 87 -0.557 12.000 -5.565 721 1HB SER 87 2HB SER 87 -1.378 14.432 -4.008 722 2HB SER 87 1HB SER 87 -1.597 14.086 -5.720 723 HG SER 87 HG SER 87 -3.513 13.459 -5.132 724 H LYS 88 H LYS 88 1.346 13.064 -6.187 725 HA LYS 88 HA LYS 88 2.923 14.581 -4.223 726 1HB LYS 88 2HB LYS 88 3.227 11.774 -4.524 727 2HB LYS 88 1HB LYS 88 4.597 12.502 -5.364 728 1HG LYS 88 2HG LYS 88 5.556 12.678 -3.321 729 2HG LYS 88 1HG LYS 88 4.429 14.007 -3.046 730 1HD LYS 88 2HD LYS 88 2.758 12.148 -2.329 731 2HD LYS 88 1HD LYS 88 4.192 11.131 -2.180 732 1HE LYS 88 2HE LYS 88 5.108 13.246 -0.821 733 2HE LYS 88 1HE LYS 88 3.373 13.494 -0.539 734 1HZ LYS 88 1HZ LYS 88 4.613 11.916 1.029 735 2HZ LYS 88 2HZ LYS 88 4.597 10.819 -0.269 736 3HZ LYS 88 3HZ LYS 88 3.135 11.391 0.384 737 H GLU 89 H GLU 89 3.608 12.690 -7.168 738 HA GLU 89 HA GLU 89 4.653 15.132 -8.488 739 1HB GLU 89 2HB GLU 89 5.870 12.965 -8.611 740 2HB GLU 89 1HB GLU 89 4.449 12.214 -9.339 741 1HG GLU 89 2HG GLU 89 4.677 14.184 -11.082 742 2HG GLU 89 1HG GLU 89 6.350 14.211 -10.521 743 H ASN 90 H ASN 90 3.226 16.315 -9.701 744 HA ASN 90 HA ASN 90 0.479 15.708 -10.027 745 1HB ASN 90 2HB ASN 90 0.611 17.579 -11.716 746 2HB ASN 90 1HB ASN 90 1.375 17.956 -10.172 747 1HD2 ASN 90 1HD2 ASN 90 1.991 17.332 -13.586 748 2HD2 ASN 90 2HD2 ASN 90 3.644 17.719 -13.548 749 H LYS 91 H LYS 91 0.660 13.426 -10.799 750 HA LYS 91 HA LYS 91 1.507 12.951 -13.574 751 1HB LYS 91 2HB LYS 91 1.577 11.310 -11.605 752 2HB LYS 91 1HB LYS 91 -0.181 11.227 -11.728 753 1HG LYS 91 2HG LYS 91 0.911 9.390 -12.991 754 2HG LYS 91 1HG LYS 91 -0.004 10.458 -14.054 755 1HD LYS 91 2HD LYS 91 1.975 11.550 -14.825 756 2HD LYS 91 1HD LYS 91 2.955 10.827 -13.548 757 1HE LYS 91 2HE LYS 91 3.271 9.698 -15.770 758 2HE LYS 91 1HE LYS 91 2.630 8.593 -14.537 759 1HZ LYS 91 1HZ LYS 91 0.828 10.203 -16.237 760 2HZ LYS 91 2HZ LYS 91 0.478 8.791 -15.358 761 3HZ LYS 91 3HZ LYS 91 1.415 8.705 -16.773 762 H GLU 92 H GLU 92 -0.155 12.330 -15.254 763 HA GLU 92 HA GLU 92 -2.376 14.155 -15.287 764 1HB GLU 92 2HB GLU 92 -1.156 12.065 -16.931 765 2HB GLU 92 1HB GLU 92 -2.912 12.092 -17.095 766 1HG GLU 92 2HG GLU 92 -2.852 14.488 -17.614 767 2HG GLU 92 1HG GLU 92 -1.102 14.507 -17.392 768 H ILE 93 H ILE 93 -3.085 13.421 -13.027 769 HA ILE 93 HA ILE 93 -4.899 11.043 -13.111 770 HB ILE 93 HB ILE 93 -3.464 12.583 -10.918 771 1HG1 ILE 93 2HG1 ILE 93 -2.241 10.822 -12.262 772 2HG1 ILE 93 1HG1 ILE 93 -2.312 10.500 -10.531 773 1HG2 ILE 93 1HG2 ILE 93 -5.702 10.548 -10.730 774 2HG2 ILE 93 2HG2 ILE 93 -5.563 12.104 -9.912 775 3HG2 ILE 93 3HG2 ILE 93 -4.541 10.754 -9.418 776 1HD1 ILE 93 1HD1 ILE 93 -3.022 8.688 -12.471 777 2HD1 ILE 93 2HD1 ILE 93 -4.584 9.397 -12.064 778 3HD1 ILE 93 3HD1 ILE 93 -3.605 8.641 -10.807 779 H GLU 94 H GLU 94 -6.995 11.740 -13.548 780 HA GLU 94 HA GLU 94 -7.874 14.253 -12.157 781 1HB GLU 94 2HB GLU 94 -9.485 14.484 -14.047 782 2HB GLU 94 1HB GLU 94 -7.802 14.611 -14.553 783 1HG GLU 94 2HG GLU 94 -8.537 11.854 -14.639 784 2HG GLU 94 1HG GLU 94 -9.798 12.774 -15.452 785 H LEU 95 H LEU 95 -9.177 13.569 -10.498 786 HA LEU 95 HA LEU 95 -11.569 12.275 -11.207 787 1HB LEU 95 2HB LEU 95 -10.750 10.168 -11.387 788 2HB LEU 95 1HB LEU 95 -9.277 10.565 -10.529 789 HG LEU 95 HG LEU 95 -10.838 10.474 -8.400 790 1HD1 LEU 95 1HD1 LEU 95 -12.831 9.382 -8.554 791 2HD1 LEU 95 2HD1 LEU 95 -12.352 8.495 -10.001 792 3HD1 LEU 95 3HD1 LEU 95 -12.816 10.192 -10.119 793 1HD2 LEU 95 1HD2 LEU 95 -10.502 7.748 -9.453 794 2HD2 LEU 95 2HD2 LEU 95 -9.835 8.481 -7.996 795 3HD2 LEU 95 3HD2 LEU 95 -9.057 8.751 -9.549 796 HA PRO 96 HA PRO 96 -11.727 13.156 -6.635 797 1HB PRO 96 2HB PRO 96 -9.729 12.192 -5.007 798 2HB PRO 96 1HB PRO 96 -11.001 11.170 -5.708 799 1HG PRO 96 2HG PRO 96 -8.213 11.085 -6.281 800 2HG PRO 96 1HG PRO 96 -9.507 10.143 -7.032 801 1HD PRO 96 2HD PRO 96 -8.254 12.695 -7.962 802 2HD PRO 96 1HD PRO 96 -8.854 11.317 -8.902 Start of MODEL 10 1 1H MET 1 1HT MET 1 -8.940 7.311 1.612 2 2H MET 1 2HT MET 1 -7.374 7.259 2.272 3 3H MET 1 3HT MET 1 -7.868 6.080 1.153 4 HA MET 1 HA MET 1 -7.415 8.970 0.598 5 1HB MET 1 2HB MET 1 -5.908 6.450 0.451 6 2HB MET 1 1HB MET 1 -5.884 7.372 -1.053 7 1HG MET 1 2HG MET 1 -4.374 8.782 -0.165 8 2HG MET 1 1HG MET 1 -5.531 9.221 1.091 9 1HE MET 1 1HE MET 1 -2.155 6.995 0.423 10 2HE MET 1 2HE MET 1 -3.664 6.322 -0.188 11 3HE MET 1 3HE MET 1 -2.849 5.550 1.170 12 H LEU 2 H LEU 2 -7.465 6.015 -1.373 13 HA LEU 2 HA LEU 2 -9.161 7.371 -3.351 14 1HB LEU 2 2HB LEU 2 -7.121 5.999 -3.867 15 2HB LEU 2 1HB LEU 2 -8.040 4.581 -3.358 16 HG LEU 2 HG LEU 2 -9.358 6.407 -5.305 17 1HD1 LEU 2 1HD1 LEU 2 -8.199 5.076 -7.155 18 2HD1 LEU 2 2HD1 LEU 2 -7.012 4.593 -5.943 19 3HD1 LEU 2 3HD1 LEU 2 -7.201 6.290 -6.361 20 1HD2 LEU 2 1HD2 LEU 2 -9.429 3.624 -4.366 21 2HD2 LEU 2 2HD2 LEU 2 -9.621 3.808 -6.110 22 3HD2 LEU 2 3HD2 LEU 2 -10.719 4.635 -5.008 23 H THR 3 H THR 3 -11.187 7.054 -3.711 24 HA THR 3 HA THR 3 -12.665 5.056 -2.075 25 HB THR 3 HB THR 3 -12.662 7.841 -2.298 26 HG1 THR 3 HG1 THR 3 -14.550 6.059 -1.165 27 1HG2 THR 3 1HG2 THR 3 -15.007 8.380 -2.929 28 2HG2 THR 3 2HG2 THR 3 -15.235 6.710 -3.450 29 3HG2 THR 3 3HG2 THR 3 -14.087 7.749 -4.296 30 H GLY 4 H GLY 4 -14.779 4.402 -3.139 31 1HA GLY 4 2HA GLY 4 -14.500 2.957 -5.469 32 2HA GLY 4 1HA GLY 4 -16.053 3.624 -4.974 33 H LYS 5 H LYS 5 -15.805 6.299 -5.384 34 HA LYS 5 HA LYS 5 -16.120 6.632 -8.190 35 1HB LYS 5 2HB LYS 5 -16.909 8.067 -6.236 36 2HB LYS 5 1HB LYS 5 -15.275 8.727 -6.170 37 1HG LYS 5 2HG LYS 5 -15.862 10.197 -7.769 38 2HG LYS 5 1HG LYS 5 -16.040 8.842 -8.884 39 1HD LYS 5 2HD LYS 5 -18.296 8.971 -8.833 40 2HD LYS 5 1HD LYS 5 -18.322 9.095 -7.074 41 1HE LYS 5 2HE LYS 5 -17.551 11.534 -7.391 42 2HE LYS 5 1HE LYS 5 -18.008 11.325 -9.094 43 1HZ LYS 5 1HZ LYS 5 -20.199 10.807 -8.522 44 2HZ LYS 5 2HZ LYS 5 -19.819 12.113 -7.505 45 3HZ LYS 5 3HZ LYS 5 -19.817 10.526 -6.894 46 H GLN 6 H GLN 6 -13.352 7.563 -6.104 47 HA GLN 6 HA GLN 6 -11.654 8.563 -8.134 48 1HB GLN 6 2HB GLN 6 -11.129 7.091 -5.543 49 2HB GLN 6 1HB GLN 6 -9.925 8.037 -6.396 50 1HG GLN 6 2HG GLN 6 -11.435 10.029 -6.219 51 2HG GLN 6 1HG GLN 6 -12.514 9.063 -5.212 52 1HE2 GLN 6 1HE2 GLN 6 -8.914 9.402 -5.286 53 2HE2 GLN 6 2HE2 GLN 6 -8.774 9.764 -3.633 54 H LYS 7 H LYS 7 -12.094 5.281 -6.826 55 HA LYS 7 HA LYS 7 -10.085 3.871 -8.305 56 1HB LYS 7 2HB LYS 7 -11.311 2.958 -6.395 57 2HB LYS 7 1HB LYS 7 -12.841 3.119 -7.250 58 1HG LYS 7 2HG LYS 7 -11.853 1.558 -9.023 59 2HG LYS 7 1HG LYS 7 -10.566 1.229 -7.867 60 1HD LYS 7 2HD LYS 7 -13.513 0.894 -7.257 61 2HD LYS 7 1HD LYS 7 -12.451 -0.424 -7.754 62 1HE LYS 7 2HE LYS 7 -11.224 -0.365 -5.754 63 2HE LYS 7 1HE LYS 7 -11.690 1.312 -5.408 64 1HZ LYS 7 1HZ LYS 7 -13.370 -1.121 -5.259 65 2HZ LYS 7 2HZ LYS 7 -14.051 0.432 -5.359 66 3HZ LYS 7 3HZ LYS 7 -13.064 0.017 -4.040 67 H ARG 8 H ARG 8 -13.480 4.708 -9.123 68 HA ARG 8 HA ARG 8 -13.842 3.189 -11.440 69 1HB ARG 8 2HB ARG 8 -15.311 4.940 -10.159 70 2HB ARG 8 1HB ARG 8 -14.634 6.089 -11.314 71 1HG ARG 8 2HG ARG 8 -15.390 3.823 -12.822 72 2HG ARG 8 1HG ARG 8 -16.730 4.146 -11.721 73 1HD ARG 8 2HD ARG 8 -16.913 6.435 -12.501 74 2HD ARG 8 1HD ARG 8 -15.433 6.269 -13.465 75 HE ARG 8 HE ARG 8 -17.631 4.355 -14.016 76 1HH1 ARG 8 1HH1 ARG 8 -15.112 5.166 -15.682 77 2HH1 ARG 8 2HH1 ARG 8 -15.883 6.002 -16.988 78 1HH2 ARG 8 1HH2 ARG 8 -18.934 6.278 -15.363 79 2HH2 ARG 8 2HH2 ARG 8 -18.044 6.634 -16.807 80 H TYR 9 H TYR 9 -12.507 6.523 -11.351 81 HA TYR 9 HA TYR 9 -11.786 6.600 -14.133 82 1HB TYR 9 2HB TYR 9 -11.056 8.052 -11.627 83 2HB TYR 9 1HB TYR 9 -10.091 8.346 -13.069 84 HD1 TYR 9 HD1 TYR 9 -10.749 10.178 -14.332 85 HD2 TYR 9 HD2 TYR 9 -13.746 7.884 -12.283 86 HE1 TYR 9 HE1 TYR 9 -12.509 11.677 -15.229 87 HE2 TYR 9 HE2 TYR 9 -15.507 9.383 -13.179 88 HH TYR 9 HH TYR 9 -15.032 11.461 -15.719 89 H LEU 10 H LEU 10 -9.699 6.125 -11.277 90 HA LEU 10 HA LEU 10 -7.374 5.549 -12.854 91 1HB LEU 10 2HB LEU 10 -8.094 6.090 -10.182 92 2HB LEU 10 1HB LEU 10 -7.249 4.537 -10.156 93 HG LEU 10 HG LEU 10 -6.211 6.898 -11.715 94 1HD1 LEU 10 1HD1 LEU 10 -5.846 6.197 -8.815 95 2HD1 LEU 10 2HD1 LEU 10 -6.085 7.778 -9.550 96 3HD1 LEU 10 3HD1 LEU 10 -4.533 6.958 -9.711 97 1HD2 LEU 10 1HD2 LEU 10 -5.327 4.160 -10.955 98 2HD2 LEU 10 2HD2 LEU 10 -4.086 5.413 -11.014 99 3HD2 LEU 10 3HD2 LEU 10 -5.052 5.059 -12.446 100 H ARG 11 H ARG 11 -9.680 3.373 -11.175 101 HA ARG 11 HA ARG 11 -8.277 0.953 -11.468 102 1HB ARG 11 2HB ARG 11 -10.398 1.165 -10.270 103 2HB ARG 11 1HB ARG 11 -11.237 1.560 -11.771 104 1HG ARG 11 2HG ARG 11 -9.732 -0.926 -12.002 105 2HG ARG 11 1HG ARG 11 -10.916 -0.993 -10.696 106 1HD ARG 11 2HD ARG 11 -11.948 0.271 -13.150 107 2HD ARG 11 1HD ARG 11 -11.528 -1.445 -13.336 108 HE ARG 11 HE ARG 11 -13.042 -0.739 -10.898 109 1HH1 ARG 11 1HH2 ARG 11 -12.719 -3.421 -12.477 110 2HH1 ARG 11 2HH2 ARG 11 -14.341 -3.617 -13.052 111 1HH2 ARG 11 1HH1 ARG 11 -15.269 -0.351 -12.343 112 2HH2 ARG 11 2HH1 ARG 11 -15.787 -1.878 -12.975 113 H SER 12 H SER 12 -10.128 2.809 -13.861 114 HA SER 12 HA SER 12 -9.924 0.756 -15.939 115 1HB SER 12 2HB SER 12 -11.737 2.483 -15.695 116 2HB SER 12 1HB SER 12 -10.555 3.719 -16.115 117 HG SER 12 HG SER 12 -11.005 3.231 -18.102 118 H LEU 13 H LEU 13 -8.016 3.544 -14.913 119 HA LEU 13 HA LEU 13 -6.488 3.999 -17.277 120 1HB LEU 13 2HB LEU 13 -6.036 4.312 -14.310 121 2HB LEU 13 1HB LEU 13 -4.789 4.768 -15.459 122 HG LEU 13 HG LEU 13 -6.909 6.364 -14.560 123 1HD1 LEU 13 1HD1 LEU 13 -4.880 7.344 -15.228 124 2HD1 LEU 13 2HD1 LEU 13 -6.026 7.878 -16.457 125 3HD1 LEU 13 3HD1 LEU 13 -4.913 6.557 -16.806 126 1HD2 LEU 13 1HD2 LEU 13 -8.432 5.220 -16.180 127 2HD2 LEU 13 2HD2 LEU 13 -7.350 5.694 -17.490 128 3HD2 LEU 13 3HD2 LEU 13 -8.197 6.926 -16.558 129 H ALA 14 H ALA 14 -5.792 1.896 -14.481 130 HA ALA 14 HA ALA 14 -3.296 0.872 -14.985 131 1HB ALA 14 1HB ALA 14 -3.976 -0.736 -13.517 132 2HB ALA 14 2HB ALA 14 -5.409 -1.142 -14.462 133 3HB ALA 14 3HB ALA 14 -5.418 0.273 -13.412 134 H HIS 15 H HIS 15 -6.275 -0.008 -16.744 135 HA HIS 15 HA HIS 15 -5.441 -2.297 -18.133 136 1HB HIS 15 2HB HIS 15 -7.359 -0.065 -18.513 137 2HB HIS 15 1HB HIS 15 -7.003 -1.022 -19.951 138 HD1 HIS 15 HD1 HIS 15 -7.950 -3.379 -20.064 139 HD2 HIS 15 HD2 HIS 15 -8.485 -1.619 -16.323 140 HE1 HIS 15 HE1 HIS 15 -9.481 -4.918 -18.761 141 H ASN 16 H ASN 16 -4.902 1.121 -19.044 142 HA ASN 16 HA ASN 16 -3.433 0.339 -21.467 143 1HB ASN 16 2HB ASN 16 -4.955 2.423 -20.874 144 2HB ASN 16 1HB ASN 16 -3.438 3.086 -20.264 145 1HD2 ASN 16 1HD2 ASN 16 -2.404 4.309 -21.834 146 2HD2 ASN 16 2HD2 ASN 16 -2.407 3.975 -23.498 147 H ILE 17 H ILE 17 -2.638 0.781 -18.139 148 HA ILE 17 HA ILE 17 0.115 1.641 -18.622 149 HB ILE 17 HB ILE 17 -1.033 0.597 -16.057 150 1HG1 ILE 17 2HG1 ILE 17 -1.910 2.973 -17.624 151 2HG1 ILE 17 1HG1 ILE 17 -2.787 2.054 -16.414 152 1HG2 ILE 17 1HG2 ILE 17 1.275 1.153 -16.014 153 2HG2 ILE 17 2HG2 ILE 17 0.420 2.433 -15.167 154 3HG2 ILE 17 3HG2 ILE 17 0.981 2.691 -16.821 155 1HD1 ILE 17 1HD1 ILE 17 -2.431 4.289 -15.551 156 2HD1 ILE 17 2HD1 ILE 17 -0.707 4.202 -15.909 157 3HD1 ILE 17 3HD1 ILE 17 -1.396 3.187 -14.642 158 H ASP 18 H ASP 18 1.855 0.380 -17.607 159 HA ASP 18 HA ASP 18 1.577 -2.538 -18.155 160 1HB ASP 18 2HB ASP 18 3.751 -0.483 -18.445 161 2HB ASP 18 1HB ASP 18 4.190 -2.185 -18.285 162 HA PRO 19 HA PRO 19 2.322 -3.488 -13.905 163 1HB PRO 19 2HB PRO 19 3.940 -5.708 -14.165 164 2HB PRO 19 1HB PRO 19 2.180 -5.741 -14.410 165 1HG PRO 19 2HG PRO 19 4.361 -5.501 -16.449 166 2HG PRO 19 1HG PRO 19 2.921 -6.539 -16.462 167 1HD PRO 19 2HD PRO 19 2.958 -4.283 -17.872 168 2HD PRO 19 1HD PRO 19 1.489 -4.765 -16.986 169 H ILE 20 H ILE 20 3.565 -1.624 -13.418 170 HA ILE 20 HA ILE 20 6.207 -1.046 -14.182 171 HB ILE 20 HB ILE 20 4.878 0.645 -13.221 172 1HG1 ILE 20 2HG1 ILE 20 6.185 1.557 -11.424 173 2HG1 ILE 20 1HG1 ILE 20 6.789 -0.037 -10.985 174 1HG2 ILE 20 1HG2 ILE 20 3.301 0.142 -11.756 175 2HG2 ILE 20 2HG2 ILE 20 4.528 -0.072 -10.510 176 3HG2 ILE 20 3HG2 ILE 20 4.007 -1.440 -11.487 177 1HD1 ILE 20 1HD1 ILE 20 7.331 1.439 -13.556 178 2HD1 ILE 20 2HD1 ILE 20 7.866 -0.207 -13.211 179 3HD1 ILE 20 3HD1 ILE 20 8.478 1.140 -12.252 180 H PHE 21 H PHE 21 5.470 -2.295 -10.854 181 HA PHE 21 HA PHE 21 8.112 -3.666 -11.013 182 1HB PHE 21 2HB PHE 21 7.454 -3.586 -8.341 183 2HB PHE 21 1HB PHE 21 8.492 -2.433 -9.157 184 HD1 PHE 21 HD1 PHE 21 8.047 -0.227 -8.841 185 HD2 PHE 21 HD2 PHE 21 4.778 -2.989 -8.620 186 HE1 PHE 21 HE1 PHE 21 6.503 1.627 -8.263 187 HE2 PHE 21 HE2 PHE 21 3.250 -1.100 -8.052 188 HZ PHE 21 HZ PHE 21 4.148 1.198 -7.894 189 H GLN 22 H GLN 22 8.231 -5.771 -9.845 190 HA GLN 22 HA GLN 22 5.594 -7.205 -9.892 191 1HB GLN 22 2HB GLN 22 8.356 -8.194 -10.663 192 2HB GLN 22 1HB GLN 22 6.853 -9.103 -10.812 193 1HG GLN 22 2HG GLN 22 6.282 -8.047 -12.730 194 2HG GLN 22 1HG GLN 22 6.723 -6.466 -12.086 195 1HE2 GLN 22 1HE2 GLN 22 8.752 -9.405 -12.578 196 2HE2 GLN 22 2HE2 GLN 22 9.882 -8.635 -13.582 197 H ILE 23 H ILE 23 5.260 -8.787 -8.311 198 HA ILE 23 HA ILE 23 6.959 -8.596 -5.887 199 HB ILE 23 HB ILE 23 4.165 -9.010 -6.607 200 1HG1 ILE 23 2HG1 ILE 23 4.952 -7.237 -5.141 201 2HG1 ILE 23 1HG1 ILE 23 3.843 -8.284 -4.253 202 1HG2 ILE 23 1HG2 ILE 23 5.081 -10.807 -4.349 203 2HG2 ILE 23 2HG2 ILE 23 4.816 -11.418 -5.971 204 3HG2 ILE 23 3HG2 ILE 23 3.481 -10.711 -5.080 205 1HD1 ILE 23 1HD1 ILE 23 5.602 -8.104 -2.737 206 2HD1 ILE 23 2HD1 ILE 23 6.824 -8.045 -4.009 207 3HD1 ILE 23 3HD1 ILE 23 6.043 -9.575 -3.605 208 H GLY 24 H GLY 24 7.990 -10.470 -4.988 209 1HA GLY 24 2HA GLY 24 8.821 -12.509 -6.850 210 2HA GLY 24 1HA GLY 24 9.104 -12.547 -5.107 211 H LYS 25 H LYS 25 8.509 -14.979 -5.877 212 HA LYS 25 HA LYS 25 5.564 -15.355 -5.943 213 1HB LYS 25 2HB LYS 25 7.049 -16.549 -7.516 214 2HB LYS 25 1HB LYS 25 7.881 -17.300 -6.154 215 1HG LYS 25 2HG LYS 25 4.982 -17.623 -5.991 216 2HG LYS 25 1HG LYS 25 5.651 -18.328 -7.462 217 1HD LYS 25 2HD LYS 25 7.328 -19.547 -6.091 218 2HD LYS 25 1HD LYS 25 6.588 -18.887 -4.633 219 1HE LYS 25 2HE LYS 25 5.090 -20.583 -4.651 220 2HE LYS 25 1HE LYS 25 4.503 -20.032 -6.233 221 1HZ LYS 25 1HZ LYS 25 5.408 -22.280 -6.372 222 2HZ LYS 25 2HZ LYS 25 6.901 -21.730 -5.777 223 3HZ LYS 25 3HZ LYS 25 6.336 -21.196 -7.288 224 H GLY 26 H GLY 26 8.323 -15.921 -3.793 225 1HA GLY 26 2HA GLY 26 7.132 -17.696 -1.947 226 2HA GLY 26 1HA GLY 26 8.340 -16.487 -1.505 227 H GLY 27 H GLY 27 6.598 -14.280 -2.481 228 1HA GLY 27 2HA GLY 27 4.098 -13.925 -1.550 229 2HA GLY 27 1HA GLY 27 4.994 -13.981 -0.026 230 H ILE 28 H ILE 28 4.382 -11.663 0.261 231 HA ILE 28 HA ILE 28 5.551 -9.764 -1.671 232 HB ILE 28 HB ILE 28 4.076 -9.502 0.975 233 1HG1 ILE 28 2HG1 ILE 28 3.325 -9.049 -1.929 234 2HG1 ILE 28 1HG1 ILE 28 2.701 -10.300 -0.858 235 1HG2 ILE 28 1HG2 ILE 28 5.090 -7.367 -0.932 236 2HG2 ILE 28 2HG2 ILE 28 5.535 -7.572 0.762 237 3HG2 ILE 28 3HG2 ILE 28 3.900 -7.068 0.335 238 1HD1 ILE 28 1HD1 ILE 28 1.205 -8.897 0.090 239 2HD1 ILE 28 2HD1 ILE 28 1.510 -7.856 -1.299 240 3HD1 ILE 28 3HD1 ILE 28 2.371 -7.585 0.214 241 H ASN 29 H ASN 29 7.743 -9.394 -1.521 242 HA ASN 29 HA ASN 29 9.062 -9.624 1.159 243 1HB ASN 29 2HB ASN 29 9.629 -10.512 -1.503 244 2HB ASN 29 1HB ASN 29 10.896 -9.383 -1.024 245 1HD2 ASN 29 1HD2 ASN 29 9.773 -12.613 -0.651 246 2HD2 ASN 29 2HD2 ASN 29 10.816 -13.070 0.608 247 H GLU 30 H GLU 30 10.170 -7.825 2.006 248 HA GLU 30 HA GLU 30 9.506 -5.187 1.194 249 1HB GLU 30 2HB GLU 30 10.420 -5.776 3.394 250 2HB GLU 30 1HB GLU 30 11.944 -6.268 2.652 251 1HG GLU 30 2HG GLU 30 12.585 -4.084 2.187 252 2HG GLU 30 1HG GLU 30 10.923 -3.502 2.112 253 H ASN 31 H ASN 31 12.049 -7.374 0.083 254 HA ASN 31 HA ASN 31 13.839 -5.632 -1.212 255 1HB ASN 31 2HB ASN 31 13.081 -8.396 -1.237 256 2HB ASN 31 1HB ASN 31 13.234 -7.865 -2.913 257 1HD2 ASN 31 1HD2 ASN 31 15.042 -7.157 0.140 258 2HD2 ASN 31 2HD2 ASN 31 16.574 -7.430 -0.537 259 H MET 32 H MET 32 10.633 -6.745 -2.188 260 HA MET 32 HA MET 32 10.681 -5.348 -4.761 261 1HB MET 32 2HB MET 32 8.468 -6.604 -3.101 262 2HB MET 32 1HB MET 32 8.300 -6.079 -4.777 263 1HG MET 32 2HG MET 32 10.282 -8.145 -3.802 264 2HG MET 32 1HG MET 32 8.755 -8.510 -4.602 265 1HE MET 32 1HE MET 32 10.604 -9.953 -6.003 266 2HE MET 32 2HE MET 32 10.609 -9.386 -7.672 267 3HE MET 32 3HE MET 32 9.088 -9.499 -6.792 268 H ILE 33 H ILE 33 8.997 -4.899 -1.602 269 HA ILE 33 HA ILE 33 7.719 -2.460 -2.233 270 HB ILE 33 HB ILE 33 8.931 -3.324 0.400 271 1HG1 ILE 33 2HG1 ILE 33 6.176 -3.736 -0.822 272 2HG1 ILE 33 1HG1 ILE 33 7.378 -4.998 -0.545 273 1HG2 ILE 33 1HG2 ILE 33 6.597 -1.460 -0.150 274 2HG2 ILE 33 2HG2 ILE 33 8.245 -0.871 0.059 275 3HG2 ILE 33 3HG2 ILE 33 7.435 -1.710 1.382 276 1HD1 ILE 33 1HD1 ILE 33 6.852 -5.162 1.643 277 2HD1 ILE 33 2HD1 ILE 33 5.399 -4.249 1.237 278 3HD1 ILE 33 3HD1 ILE 33 6.826 -3.411 1.850 279 H LYS 34 H LYS 34 11.075 -3.134 -1.365 280 HA LYS 34 HA LYS 34 11.939 -0.467 -0.825 281 1HB LYS 34 2HB LYS 34 13.307 -2.847 -2.137 282 2HB LYS 34 1HB LYS 34 14.158 -1.420 -1.541 283 1HG LYS 34 2HG LYS 34 12.292 -2.649 0.394 284 2HG LYS 34 1HG LYS 34 13.685 -3.646 -0.031 285 1HD LYS 34 2HD LYS 34 14.666 -1.015 0.317 286 2HD LYS 34 1HD LYS 34 13.583 -1.325 1.675 287 1HE LYS 34 2HE LYS 34 14.888 -3.064 2.496 288 2HE LYS 34 1HE LYS 34 15.538 -3.468 0.895 289 1HZ LYS 34 1HZ LYS 34 16.129 -0.995 2.436 290 2HZ LYS 34 2HZ LYS 34 16.723 -1.356 0.885 291 3HZ LYS 34 3HZ LYS 34 17.192 -2.297 2.218 292 H GLN 35 H GLN 35 12.088 -2.347 -3.872 293 HA GLN 35 HA GLN 35 12.718 -0.078 -5.554 294 1HB GLN 35 2HB GLN 35 12.681 -2.824 -5.746 295 2HB GLN 35 1HB GLN 35 11.271 -2.384 -6.709 296 1HG GLN 35 2HG GLN 35 12.533 -1.175 -8.254 297 2HG GLN 35 1HG GLN 35 13.852 -0.902 -7.113 298 1HE2 GLN 35 1HE2 GLN 35 12.260 -4.028 -7.860 299 2HE2 GLN 35 2HE2 GLN 35 13.658 -4.774 -8.465 300 H ILE 36 H ILE 36 9.695 -1.935 -4.995 301 HA ILE 36 HA ILE 36 7.911 -0.410 -6.571 302 HB ILE 36 HB ILE 36 7.542 -1.747 -3.890 303 1HG1 ILE 36 2HG1 ILE 36 6.974 -2.762 -6.675 304 2HG1 ILE 36 1HG1 ILE 36 8.426 -3.167 -5.767 305 1HG2 ILE 36 1HG2 ILE 36 5.374 -1.150 -3.964 306 2HG2 ILE 36 2HG2 ILE 36 5.226 -1.782 -5.604 307 3HG2 ILE 36 3HG2 ILE 36 5.747 -0.117 -5.344 308 1HD1 ILE 36 1HD1 ILE 36 5.572 -3.736 -4.938 309 2HD1 ILE 36 2HD1 ILE 36 6.995 -4.074 -3.952 310 3HD1 ILE 36 3HD1 ILE 36 6.757 -4.925 -5.479 311 H ASP 37 H ASP 37 9.250 0.258 -3.353 312 HA ASP 37 HA ASP 37 7.468 2.276 -2.484 313 1HB ASP 37 2HB ASP 37 9.076 1.289 -1.003 314 2HB ASP 37 1HB ASP 37 10.422 1.792 -2.022 315 H ASP 38 H ASP 38 10.692 2.757 -4.017 316 HA ASP 38 HA ASP 38 10.345 5.584 -4.451 317 1HB ASP 38 2HB ASP 38 12.367 3.753 -4.586 318 2HB ASP 38 1HB ASP 38 12.062 4.029 -6.301 319 H THR 39 H THR 39 9.875 2.754 -6.541 320 HA THR 39 HA THR 39 9.112 4.142 -8.947 321 HB THR 39 HB THR 39 8.343 1.429 -7.904 322 HG1 THR 39 HG1 THR 39 10.478 1.378 -7.849 323 1HG2 THR 39 1HG2 THR 39 8.651 2.591 -10.679 324 2HG2 THR 39 2HG2 THR 39 7.130 2.158 -9.914 325 3HG2 THR 39 3HG2 THR 39 8.302 0.906 -10.324 326 H LEU 40 H LEU 40 7.200 2.894 -6.200 327 HA LEU 40 HA LEU 40 4.666 3.810 -7.379 328 1HB LEU 40 2HB LEU 40 4.744 1.812 -5.977 329 2HB LEU 40 1HB LEU 40 5.469 2.732 -4.657 330 HG LEU 40 HG LEU 40 2.933 3.841 -5.678 331 1HD1 LEU 40 1HD1 LEU 40 2.345 1.727 -3.795 332 2HD1 LEU 40 2HD1 LEU 40 3.066 1.061 -5.255 333 3HD1 LEU 40 3HD1 LEU 40 1.608 2.050 -5.359 334 1HD2 LEU 40 1HD2 LEU 40 4.278 4.628 -3.681 335 2HD2 LEU 40 2HD2 LEU 40 3.857 3.113 -2.884 336 3HD2 LEU 40 3HD2 LEU 40 2.591 4.259 -3.321 337 H GLU 41 H GLU 41 7.216 5.381 -5.812 338 HA GLU 41 HA GLU 41 5.405 7.370 -4.515 339 1HB GLU 41 2HB GLU 41 7.146 6.293 -3.148 340 2HB GLU 41 1HB GLU 41 8.383 6.820 -4.290 341 1HG GLU 41 2HG GLU 41 8.013 9.129 -3.767 342 2HG GLU 41 1HG GLU 41 6.541 8.754 -2.867 343 H ASN 42 H ASN 42 7.030 6.908 -7.428 344 HA ASN 42 HA ASN 42 7.568 9.835 -7.765 345 1HB ASN 42 2HB ASN 42 8.965 7.412 -8.394 346 2HB ASN 42 1HB ASN 42 8.577 8.235 -9.905 347 1HD2 ASN 42 1HD2 ASN 42 10.515 9.298 -10.444 348 2HD2 ASN 42 2HD2 ASN 42 11.349 10.347 -9.403 349 H ARG 43 H ARG 43 6.048 7.005 -9.348 350 HA ARG 43 HA ARG 43 4.934 8.665 -11.507 351 1HB ARG 43 2HB ARG 43 5.755 6.129 -11.343 352 2HB ARG 43 1HB ARG 43 4.064 5.864 -10.919 353 1HG ARG 43 2HG ARG 43 3.979 5.687 -13.242 354 2HG ARG 43 1HG ARG 43 3.601 7.396 -13.011 355 1HD ARG 43 2HD ARG 43 5.471 8.020 -14.132 356 2HD ARG 43 1HD ARG 43 6.484 6.965 -13.125 357 HE ARG 43 HE ARG 43 4.830 5.561 -15.113 358 1HH1 ARG 43 1HH1 ARG 43 7.566 7.560 -15.068 359 2HH1 ARG 43 2HH1 ARG 43 8.593 6.446 -15.907 360 1HH2 ARG 43 1HH2 ARG 43 6.275 3.868 -15.867 361 2HH2 ARG 43 2HH2 ARG 43 7.862 4.356 -16.358 362 H GLU 44 H GLU 44 2.416 6.862 -11.342 363 HA GLU 44 HA GLU 44 0.981 8.139 -9.068 364 1HB GLU 44 2HB GLU 44 -0.868 8.581 -10.917 365 2HB GLU 44 1HB GLU 44 0.424 9.742 -10.659 366 1HG GLU 44 2HG GLU 44 1.173 9.468 -12.767 367 2HG GLU 44 1HG GLU 44 1.263 7.724 -12.575 368 H LEU 45 H LEU 45 0.298 6.192 -11.997 369 HA LEU 45 HA LEU 45 -1.250 4.280 -10.290 370 1HB LEU 45 2HB LEU 45 -2.443 5.408 -12.144 371 2HB LEU 45 1HB LEU 45 -1.237 4.809 -13.280 372 HG LEU 45 HG LEU 45 -1.869 2.494 -12.803 373 1HD1 LEU 45 1HD1 LEU 45 -4.213 2.619 -11.344 374 2HD1 LEU 45 2HD1 LEU 45 -3.178 3.782 -10.515 375 3HD1 LEU 45 3HD1 LEU 45 -2.647 2.113 -10.712 376 1HD2 LEU 45 1HD2 LEU 45 -4.596 3.277 -13.100 377 2HD2 LEU 45 2HD2 LEU 45 -3.468 2.780 -14.360 378 3HD2 LEU 45 3HD2 LEU 45 -3.607 4.483 -13.924 379 H ILE 46 H ILE 46 -0.220 2.337 -9.935 380 HA ILE 46 HA ILE 46 1.828 1.504 -11.946 381 HB ILE 46 HB ILE 46 2.846 0.429 -9.693 382 1HG1 ILE 46 2HG1 ILE 46 2.773 2.639 -8.124 383 2HG1 ILE 46 1HG1 ILE 46 1.121 2.647 -8.713 384 1HG2 ILE 46 1HG2 ILE 46 3.585 3.277 -10.082 385 2HG2 ILE 46 2HG2 ILE 46 3.663 2.239 -11.505 386 3HG2 ILE 46 3HG2 ILE 46 4.599 1.834 -10.068 387 1HD1 ILE 46 1HD1 ILE 46 2.526 0.614 -7.043 388 2HD1 ILE 46 2HD1 ILE 46 1.288 0.049 -8.160 389 3HD1 ILE 46 3HD1 ILE 46 0.879 1.225 -6.915 390 H LYS 47 H LYS 47 1.349 -0.410 -12.808 391 HA LYS 47 HA LYS 47 -0.584 -2.227 -11.491 392 1HB LYS 47 2HB LYS 47 0.770 -1.938 -14.170 393 2HB LYS 47 1HB LYS 47 0.014 -3.474 -13.744 394 1HG LYS 47 2HG LYS 47 -1.862 -1.536 -13.007 395 2HG LYS 47 1HG LYS 47 -1.231 -0.981 -14.557 396 1HD LYS 47 2HD LYS 47 -2.320 -3.754 -13.984 397 2HD LYS 47 1HD LYS 47 -3.151 -2.490 -14.893 398 1HE LYS 47 2HE LYS 47 -1.154 -2.469 -16.478 399 2HE LYS 47 1HE LYS 47 -0.608 -3.950 -15.667 400 1HZ LYS 47 1HZ LYS 47 -2.527 -5.088 -16.266 401 2HZ LYS 47 2HZ LYS 47 -2.173 -4.193 -17.667 402 3HZ LYS 47 3HZ LYS 47 -3.393 -3.669 -16.607 403 H VAL 48 H VAL 48 0.175 -4.178 -10.451 404 HA VAL 48 HA VAL 48 3.104 -4.649 -10.681 405 HB VAL 48 HB VAL 48 1.165 -4.996 -8.370 406 1HG1 VAL 48 1HG1 VAL 48 3.504 -6.324 -8.788 407 2HG1 VAL 48 2HG1 VAL 48 2.820 -5.968 -7.203 408 3HG1 VAL 48 3HG1 VAL 48 4.054 -4.911 -7.890 409 1HG2 VAL 48 1HG2 VAL 48 2.963 -3.131 -7.572 410 2HG2 VAL 48 2HG2 VAL 48 1.421 -2.729 -8.328 411 3HG2 VAL 48 3HG2 VAL 48 2.894 -2.776 -9.298 412 H HIS 49 H HIS 49 3.634 -6.712 -11.359 413 HA HIS 49 HA HIS 49 1.484 -8.739 -11.613 414 1HB HIS 49 2HB HIS 49 3.023 -8.338 -13.472 415 2HB HIS 49 1HB HIS 49 4.410 -8.632 -12.424 416 HD1 HIS 49 HD1 HIS 49 5.348 -10.895 -12.840 417 HD2 HIS 49 HD2 HIS 49 1.193 -10.886 -13.194 418 HE1 HIS 49 HE1 HIS 49 4.667 -13.277 -13.366 419 H VAL 50 H VAL 50 1.085 -9.696 -9.617 420 HA VAL 50 HA VAL 50 3.265 -10.289 -7.724 421 HB VAL 50 HB VAL 50 0.291 -10.872 -7.837 422 1HG1 VAL 50 1HG1 VAL 50 1.159 -11.025 -5.182 423 2HG1 VAL 50 2HG1 VAL 50 2.358 -11.944 -6.091 424 3HG1 VAL 50 3HG1 VAL 50 0.652 -12.378 -6.195 425 1HG2 VAL 50 1HG2 VAL 50 0.530 -9.184 -5.818 426 2HG2 VAL 50 2HG2 VAL 50 0.480 -8.585 -7.475 427 3HG2 VAL 50 3HG2 VAL 50 2.025 -8.743 -6.641 428 H LEU 51 H LEU 51 4.250 -12.190 -7.447 429 HA LEU 51 HA LEU 51 3.768 -14.273 -9.417 430 1HB LEU 51 2HB LEU 51 5.901 -13.258 -7.733 431 2HB LEU 51 1HB LEU 51 5.874 -15.010 -7.811 432 HG LEU 51 HG LEU 51 7.285 -14.135 -9.606 433 1HD1 LEU 51 1HD1 LEU 51 5.127 -14.841 -11.381 434 2HD1 LEU 51 2HD1 LEU 51 5.061 -15.856 -9.942 435 3HD1 LEU 51 3HD1 LEU 51 6.530 -15.802 -10.914 436 1HD2 LEU 51 1HD2 LEU 51 5.424 -12.940 -11.352 437 2HD2 LEU 51 2HD2 LEU 51 6.741 -12.138 -10.497 438 3HD2 LEU 51 3HD2 LEU 51 5.133 -12.206 -9.777 439 H GLN 52 H GLN 52 1.924 -13.842 -7.055 440 HA GLN 52 HA GLN 52 2.352 -16.069 -5.238 441 1HB GLN 52 2HB GLN 52 1.054 -13.864 -4.913 442 2HB GLN 52 1HB GLN 52 -0.244 -14.635 -5.826 443 1HG GLN 52 2HG GLN 52 -0.547 -14.932 -3.382 444 2HG GLN 52 1HG GLN 52 -0.321 -16.476 -4.203 445 1HE2 GLN 52 1HE2 GLN 52 0.445 -17.279 -2.019 446 2HE2 GLN 52 2HE2 GLN 52 2.050 -16.975 -1.555 447 H ASN 53 H ASN 53 1.352 -15.958 -8.468 448 HA ASN 53 HA ASN 53 0.468 -17.612 -9.890 449 1HB ASN 53 2HB ASN 53 1.846 -18.899 -7.893 450 2HB ASN 53 1HB ASN 53 0.250 -19.637 -7.753 451 1HD2 ASN 53 1HD2 ASN 53 2.052 -21.429 -8.615 452 2HD2 ASN 53 2HD2 ASN 53 1.979 -21.670 -10.294 453 H ASN 54 H ASN 54 -1.017 -18.497 -6.740 454 HA ASN 54 HA ASN 54 -3.609 -18.985 -7.797 455 1HB ASN 54 2HB ASN 54 -2.254 -18.765 -5.244 456 2HB ASN 54 1HB ASN 54 -3.872 -18.070 -5.146 457 1HD2 ASN 54 1HD2 ASN 54 -5.607 -19.553 -6.342 458 2HD2 ASN 54 2HD2 ASN 54 -5.479 -21.213 -6.019 459 H PHE 55 H PHE 55 -5.400 -17.649 -8.107 460 HA PHE 55 HA PHE 55 -4.942 -14.818 -8.517 461 1HB PHE 55 2HB PHE 55 -7.187 -16.786 -8.716 462 2HB PHE 55 1HB PHE 55 -7.590 -15.069 -8.723 463 HD1 PHE 55 HD1 PHE 55 -7.750 -14.086 -10.822 464 HD2 PHE 55 HD2 PHE 55 -4.955 -17.292 -10.222 465 HE1 PHE 55 HE1 PHE 55 -7.061 -13.931 -13.200 466 HE2 PHE 55 HE2 PHE 55 -4.267 -17.139 -12.599 467 HZ PHE 55 HZ PHE 55 -5.320 -15.458 -14.089 468 H ASP 56 H ASP 56 -7.218 -16.505 -6.282 469 HA ASP 56 HA ASP 56 -7.918 -14.195 -4.812 470 1HB ASP 56 2HB ASP 56 -7.709 -17.048 -3.839 471 2HB ASP 56 1HB ASP 56 -8.751 -15.793 -3.167 472 H ASP 57 H ASP 57 -5.057 -16.026 -4.763 473 HA ASP 57 HA ASP 57 -4.150 -15.164 -2.113 474 1HB ASP 57 2HB ASP 57 -2.873 -16.540 -4.495 475 2HB ASP 57 1HB ASP 57 -1.990 -16.190 -3.011 476 H LYS 58 H LYS 58 -3.860 -14.104 -5.455 477 HA LYS 58 HA LYS 58 -1.685 -12.257 -5.153 478 1HB LYS 58 2HB LYS 58 -3.869 -12.896 -7.040 479 2HB LYS 58 1HB LYS 58 -3.336 -11.218 -7.100 480 1HG LYS 58 2HG LYS 58 -1.378 -11.773 -8.076 481 2HG LYS 58 1HG LYS 58 -1.104 -13.106 -6.953 482 1HD LYS 58 2HD LYS 58 -3.072 -14.221 -8.355 483 2HD LYS 58 1HD LYS 58 -2.500 -13.107 -9.597 484 1HE LYS 58 2HE LYS 58 -0.123 -14.024 -8.988 485 2HE LYS 58 1HE LYS 58 -1.025 -15.387 -8.293 486 1HZ LYS 58 1HZ LYS 58 -2.043 -15.853 -10.313 487 2HZ LYS 58 2HZ LYS 58 -0.450 -15.486 -10.773 488 3HZ LYS 58 3HZ LYS 58 -1.681 -14.333 -10.971 489 H LYS 59 H LYS 59 -5.220 -11.885 -4.916 490 HA LYS 59 HA LYS 59 -5.327 -9.105 -4.351 491 1HB LYS 59 2HB LYS 59 -7.270 -10.456 -4.918 492 2HB LYS 59 1HB LYS 59 -7.037 -11.464 -3.491 493 1HG LYS 59 2HG LYS 59 -7.195 -8.619 -2.832 494 2HG LYS 59 1HG LYS 59 -8.652 -9.207 -3.633 495 1HD LYS 59 2HD LYS 59 -8.156 -11.250 -1.887 496 2HD LYS 59 1HD LYS 59 -7.579 -9.865 -0.960 497 1HE LYS 59 2HE LYS 59 -9.695 -9.129 -0.593 498 2HE LYS 59 1HE LYS 59 -10.122 -9.312 -2.306 499 1HZ LYS 59 1HZ LYS 59 -10.113 -11.380 -0.188 500 2HZ LYS 59 2HZ LYS 59 -10.055 -11.796 -1.835 501 3HZ LYS 59 3HZ LYS 59 -11.386 -10.936 -1.219 502 H GLU 60 H GLU 60 -5.069 -11.908 -2.134 503 HA GLU 60 HA GLU 60 -5.116 -10.552 0.340 504 1HB GLU 60 2HB GLU 60 -4.877 -13.091 -0.438 505 2HB GLU 60 1HB GLU 60 -3.164 -12.775 -0.156 506 1HG GLU 60 2HG GLU 60 -4.027 -11.745 2.109 507 2HG GLU 60 1HG GLU 60 -5.438 -12.760 1.802 508 H LEU 61 H LEU 61 -2.320 -11.178 -1.816 509 HA LEU 61 HA LEU 61 -0.272 -10.061 -0.242 510 1HB LEU 61 2HB LEU 61 -0.850 -10.509 -3.131 511 2HB LEU 61 1HB LEU 61 0.482 -9.411 -2.758 512 HG LEU 61 HG LEU 61 1.052 -11.400 -1.023 513 1HD1 LEU 61 1HD1 LEU 61 0.736 -13.529 -2.485 514 2HD1 LEU 61 2HD1 LEU 61 -0.540 -12.607 -3.280 515 3HD1 LEU 61 3HD1 LEU 61 -0.643 -12.947 -1.553 516 1HD2 LEU 61 1HD2 LEU 61 2.904 -11.613 -2.325 517 2HD2 LEU 61 2HD2 LEU 61 2.165 -10.359 -3.321 518 3HD2 LEU 61 3HD2 LEU 61 1.962 -12.059 -3.748 519 H ALA 62 H ALA 62 -2.393 -8.414 -2.631 520 HA ALA 62 HA ALA 62 -1.383 -5.788 -2.337 521 1HB ALA 62 1HB ALA 62 -3.683 -7.142 -3.408 522 2HB ALA 62 2HB ALA 62 -3.018 -5.575 -3.872 523 3HB ALA 62 3HB ALA 62 -4.210 -5.678 -2.575 524 H GLU 63 H GLU 63 -3.364 -7.720 -0.179 525 HA GLU 63 HA GLU 63 -4.421 -5.633 1.449 526 1HB GLU 63 2HB GLU 63 -4.739 -8.276 1.320 527 2HB GLU 63 1HB GLU 63 -3.524 -8.237 2.598 528 1HG GLU 63 2HG GLU 63 -5.688 -6.274 2.947 529 2HG GLU 63 1HG GLU 63 -6.226 -7.952 3.007 530 H THR 64 H THR 64 -1.495 -7.438 1.505 531 HA THR 64 HA THR 64 -0.321 -5.989 3.783 532 HB THR 64 HB THR 64 0.831 -7.965 1.780 533 HG1 THR 64 HG1 THR 64 -0.346 -8.286 4.340 534 1HG2 THR 64 1HG2 THR 64 2.446 -6.525 3.116 535 2HG2 THR 64 2HG2 THR 64 2.630 -8.266 3.316 536 3HG2 THR 64 3HG2 THR 64 1.818 -7.318 4.560 537 H LEU 65 H LEU 65 -0.005 -6.085 0.245 538 HA LEU 65 HA LEU 65 2.245 -4.253 0.131 539 1HB LEU 65 2HB LEU 65 0.426 -5.738 -1.644 540 2HB LEU 65 1HB LEU 65 0.958 -4.197 -2.316 541 HG LEU 65 HG LEU 65 2.854 -6.233 -1.127 542 1HD1 LEU 65 1HD1 LEU 65 1.479 -6.219 -3.682 543 2HD1 LEU 65 2HD1 LEU 65 2.561 -7.439 -3.010 544 3HD1 LEU 65 3HD1 LEU 65 3.221 -6.074 -3.909 545 1HD2 LEU 65 1HD2 LEU 65 4.367 -4.812 -2.747 546 2HD2 LEU 65 2HD2 LEU 65 3.972 -4.198 -1.141 547 3HD2 LEU 65 3HD2 LEU 65 3.091 -3.610 -2.552 548 H SER 66 H SER 66 -1.248 -3.876 -0.661 549 HA SER 66 HA SER 66 -1.247 -1.112 -1.216 550 1HB SER 66 2HB SER 66 -3.343 -2.748 0.245 551 2HB SER 66 1HB SER 66 -3.631 -1.269 -0.666 552 HG SER 66 HG SER 66 -3.750 -3.652 -1.605 553 H GLU 67 H GLU 67 -1.736 -2.718 1.963 554 HA GLU 67 HA GLU 67 -2.017 -0.280 3.460 555 1HB GLU 67 2HB GLU 67 -1.088 -3.067 4.231 556 2HB GLU 67 1HB GLU 67 -1.597 -1.825 5.375 557 1HG GLU 67 2HG GLU 67 -3.340 -2.895 3.136 558 2HG GLU 67 1HG GLU 67 -3.420 -3.450 4.809 559 H ALA 68 H ALA 68 0.821 -2.237 2.587 560 HA ALA 68 HA ALA 68 2.614 -0.559 4.222 561 1HB ALA 68 1HB ALA 68 2.891 -3.007 3.976 562 2HB ALA 68 2HB ALA 68 4.304 -2.141 3.369 563 3HB ALA 68 3HB ALA 68 3.122 -2.800 2.240 564 H THR 69 H THR 69 1.262 -0.361 1.090 565 HA THR 69 HA THR 69 3.609 1.051 -0.062 566 HB THR 69 HB THR 69 2.018 1.075 -2.064 567 HG1 THR 69 HG1 THR 69 0.058 0.555 -1.633 568 1HG2 THR 69 1HG2 THR 69 2.065 -1.679 -1.881 569 2HG2 THR 69 2HG2 THR 69 3.343 -1.193 -0.766 570 3HG2 THR 69 3HG2 THR 69 3.399 -0.674 -2.451 571 H ARG 70 H ARG 70 1.010 1.897 1.892 572 HA ARG 70 HA ARG 70 0.010 3.983 2.384 573 1HB ARG 70 2HB ARG 70 2.710 4.387 1.428 574 2HB ARG 70 1HB ARG 70 1.696 5.744 0.940 575 1HG ARG 70 2HG ARG 70 1.600 6.528 3.051 576 2HG ARG 70 1HG ARG 70 1.120 4.948 3.674 577 1HD ARG 70 2HD ARG 70 3.177 4.853 4.639 578 2HD ARG 70 1HD ARG 70 3.828 4.639 3.002 579 HE ARG 70 HE ARG 70 3.954 7.153 2.868 580 1HH1 ARG 70 1HH1 ARG 70 2.528 6.585 5.792 581 2HH1 ARG 70 2HH1 ARG 70 3.685 7.443 6.752 582 1HH2 ARG 70 1HH2 ARG 70 5.948 7.835 4.155 583 2HH2 ARG 70 2HH2 ARG 70 5.622 8.153 5.826 584 H SER 71 H SER 71 -0.613 2.479 -0.163 585 HA SER 71 HA SER 71 -1.785 4.775 -1.705 586 1HB SER 71 2HB SER 71 -0.734 2.121 -2.733 587 2HB SER 71 1HB SER 71 -1.353 3.443 -3.717 588 HG SER 71 HG SER 71 0.755 3.839 -3.717 589 H GLU 72 H GLU 72 -3.584 3.604 -3.274 590 HA GLU 72 HA GLU 72 -5.116 1.697 -1.546 591 1HB GLU 72 2HB GLU 72 -5.860 4.342 -2.752 592 2HB GLU 72 1HB GLU 72 -7.114 3.109 -2.606 593 1HG GLU 72 2HG GLU 72 -5.599 3.188 -0.164 594 2HG GLU 72 1HG GLU 72 -6.129 4.821 -0.568 595 H LEU 73 H LEU 73 -5.490 -0.165 -2.659 596 HA LEU 73 HA LEU 73 -4.972 -0.618 -5.396 597 1HB LEU 73 2HB LEU 73 -5.892 -1.960 -3.058 598 2HB LEU 73 1HB LEU 73 -7.048 -2.325 -4.328 599 HG LEU 73 HG LEU 73 -4.108 -2.891 -4.227 600 1HD1 LEU 73 1HD1 LEU 73 -5.875 -4.516 -3.389 601 2HD1 LEU 73 2HD1 LEU 73 -4.900 -5.163 -4.710 602 3HD1 LEU 73 3HD1 LEU 73 -6.527 -4.563 -5.027 603 1HD2 LEU 73 1HD2 LEU 73 -4.929 -3.847 -6.685 604 2HD2 LEU 73 2HD2 LEU 73 -4.025 -2.355 -6.454 605 3HD2 LEU 73 3HD2 LEU 73 -5.778 -2.304 -6.598 606 H VAL 74 H VAL 74 -6.155 0.662 -6.966 607 HA VAL 74 HA VAL 74 -9.017 1.122 -6.619 608 HB VAL 74 HB VAL 74 -8.892 1.974 -8.917 609 1HG1 VAL 74 1HG1 VAL 74 -7.608 3.787 -8.412 610 2HG1 VAL 74 2HG1 VAL 74 -6.233 2.804 -7.906 611 3HG1 VAL 74 3HG1 VAL 74 -7.603 3.031 -6.820 612 1HG2 VAL 74 1HG2 VAL 74 -6.809 1.785 -10.194 613 2HG2 VAL 74 2HG2 VAL 74 -7.501 0.196 -9.856 614 3HG2 VAL 74 3HG2 VAL 74 -6.126 0.778 -8.917 615 H GLN 75 H GLN 75 -6.884 -1.342 -7.968 616 HA GLN 75 HA GLN 75 -8.681 -3.450 -7.791 617 1HB GLN 75 2HB GLN 75 -9.256 -1.690 -9.989 618 2HB GLN 75 1HB GLN 75 -8.824 -3.284 -10.609 619 1HG GLN 75 2HG GLN 75 -10.715 -3.138 -8.294 620 2HG GLN 75 1HG GLN 75 -11.326 -2.725 -9.894 621 1HE2 GLN 75 1HE2 GLN 75 -10.560 -4.458 -11.664 622 2HE2 GLN 75 2HE2 GLN 75 -10.712 -6.079 -11.186 623 H VAL 76 H VAL 76 -8.267 -5.203 -9.527 624 HA VAL 76 HA VAL 76 -5.298 -5.467 -9.755 625 HB VAL 76 HB VAL 76 -7.432 -6.864 -8.338 626 1HG1 VAL 76 1HG1 VAL 76 -5.783 -8.435 -10.329 627 2HG1 VAL 76 2HG1 VAL 76 -7.487 -8.616 -9.915 628 3HG1 VAL 76 3HG1 VAL 76 -6.244 -9.174 -8.796 629 1HG2 VAL 76 1HG2 VAL 76 -5.739 -7.287 -6.854 630 2HG2 VAL 76 2HG2 VAL 76 -4.948 -6.003 -7.768 631 3HG2 VAL 76 3HG2 VAL 76 -4.576 -7.691 -8.117 632 H ILE 77 H ILE 77 -4.589 -6.201 -11.827 633 HA ILE 77 HA ILE 77 -6.765 -6.793 -13.792 634 HB ILE 77 HB ILE 77 -4.152 -5.305 -13.820 635 1HG1 ILE 77 2HG1 ILE 77 -6.262 -4.123 -13.321 636 2HG1 ILE 77 1HG1 ILE 77 -5.566 -3.572 -14.844 637 1HG2 ILE 77 1HG2 ILE 77 -5.505 -6.652 -16.126 638 2HG2 ILE 77 2HG2 ILE 77 -3.783 -6.497 -15.779 639 3HG2 ILE 77 3HG2 ILE 77 -4.692 -5.108 -16.374 640 1HD1 ILE 77 1HD1 ILE 77 -8.135 -4.812 -14.369 641 2HD1 ILE 77 2HD1 ILE 77 -7.191 -5.781 -15.502 642 3HD1 ILE 77 3HD1 ILE 77 -7.514 -4.082 -15.851 643 H GLY 78 H GLY 78 -6.765 -9.078 -13.720 644 1HA GLY 78 2HA GLY 78 -5.900 -11.290 -13.853 645 2HA GLY 78 1HA GLY 78 -5.305 -10.641 -15.375 646 H SER 79 H SER 79 -4.424 -11.445 -12.066 647 HA SER 79 HA SER 79 -2.310 -11.975 -11.153 648 1HB SER 79 2HB SER 79 -1.084 -11.627 -13.867 649 2HB SER 79 1HB SER 79 -0.759 -12.857 -12.649 650 HG SER 79 HG SER 79 -2.033 -13.521 -14.538 651 H MET 80 H MET 80 -3.129 -9.015 -12.345 652 HA MET 80 HA MET 80 -0.524 -7.827 -11.509 653 1HB MET 80 2HB MET 80 -2.535 -6.669 -13.458 654 2HB MET 80 1HB MET 80 -0.903 -6.085 -13.144 655 1HG MET 80 2HG MET 80 -0.202 -8.522 -13.855 656 2HG MET 80 1HG MET 80 -1.773 -8.531 -14.653 657 1HE MET 80 1HE MET 80 -0.429 -8.990 -16.852 658 2HE MET 80 2HE MET 80 1.115 -8.831 -16.017 659 3HE MET 80 3HE MET 80 0.831 -7.932 -17.505 660 H ILE 81 H ILE 81 -0.734 -5.873 -10.172 661 HA ILE 81 HA ILE 81 -3.485 -5.573 -9.016 662 HB ILE 81 HB ILE 81 -0.735 -5.134 -7.797 663 1HG1 ILE 81 2HG1 ILE 81 -2.794 -7.328 -7.385 664 2HG1 ILE 81 1HG1 ILE 81 -1.263 -7.508 -8.242 665 1HG2 ILE 81 1HG2 ILE 81 -3.473 -5.146 -6.488 666 2HG2 ILE 81 2HG2 ILE 81 -2.547 -3.689 -6.853 667 3HG2 ILE 81 3HG2 ILE 81 -1.928 -4.860 -5.687 668 1HD1 ILE 81 1HD1 ILE 81 -1.194 -8.294 -5.851 669 2HD1 ILE 81 2HD1 ILE 81 -1.477 -6.626 -5.353 670 3HD1 ILE 81 3HD1 ILE 81 -0.007 -7.047 -6.231 671 H VAL 82 H VAL 82 -4.389 -3.579 -9.140 672 HA VAL 82 HA VAL 82 -2.811 -1.344 -10.323 673 HB VAL 82 HB VAL 82 -5.827 -1.673 -9.882 674 1HG1 VAL 82 1HG1 VAL 82 -4.192 0.055 -11.798 675 2HG1 VAL 82 2HG1 VAL 82 -4.825 0.629 -10.269 676 3HG1 VAL 82 3HG1 VAL 82 -5.935 0.120 -11.541 677 1HG2 VAL 82 1HG2 VAL 82 -4.084 -2.288 -12.326 678 2HG2 VAL 82 2HG2 VAL 82 -5.846 -2.368 -12.269 679 3HG2 VAL 82 3HG2 VAL 82 -4.881 -3.490 -11.311 680 H ILE 83 H ILE 83 -1.934 -0.025 -8.719 681 HA ILE 83 HA ILE 83 -3.772 0.715 -6.463 682 HB ILE 83 HB ILE 83 -0.763 0.360 -6.482 683 1HG1 ILE 83 2HG1 ILE 83 -2.880 -1.336 -5.124 684 2HG1 ILE 83 1HG1 ILE 83 -2.215 -1.728 -6.708 685 1HG2 ILE 83 1HG2 ILE 83 -0.906 1.697 -4.675 686 2HG2 ILE 83 2HG2 ILE 83 -1.620 0.302 -3.871 687 3HG2 ILE 83 3HG2 ILE 83 -2.659 1.539 -4.579 688 1HD1 ILE 83 1HD1 ILE 83 -0.467 -1.310 -4.279 689 2HD1 ILE 83 2HD1 ILE 83 -0.026 -2.046 -5.821 690 3HD1 ILE 83 3HD1 ILE 83 -1.118 -2.888 -4.721 691 H TYR 84 H TYR 84 -3.780 2.870 -5.841 692 HA TYR 84 HA TYR 84 -2.298 4.774 -7.623 693 1HB TYR 84 2HB TYR 84 -4.649 4.967 -7.968 694 2HB TYR 84 1HB TYR 84 -4.998 4.798 -6.251 695 HD1 TYR 84 HD1 TYR 84 -2.817 7.016 -8.379 696 HD2 TYR 84 HD2 TYR 84 -5.711 6.750 -5.215 697 HE1 TYR 84 HE1 TYR 84 -2.752 9.479 -8.112 698 HE2 TYR 84 HE2 TYR 84 -5.649 9.213 -4.951 699 HH TYR 84 HH TYR 84 -3.263 11.130 -6.142 700 H ARG 85 H ARG 85 -0.553 5.535 -6.442 701 HA ARG 85 HA ARG 85 -0.582 5.556 -3.524 702 1HB ARG 85 2HB ARG 85 1.685 5.914 -3.753 703 2HB ARG 85 1HB ARG 85 1.340 5.274 -5.353 704 1HG ARG 85 2HG ARG 85 1.378 8.240 -4.717 705 2HG ARG 85 1HG ARG 85 2.764 7.360 -5.340 706 1HD ARG 85 2HD ARG 85 0.063 7.490 -6.723 707 2HD ARG 85 1HD ARG 85 1.479 8.459 -7.173 708 HE ARG 85 HE ARG 85 1.131 5.615 -7.703 709 1HH1 ARG 85 1HH1 ARG 85 3.456 8.088 -6.950 710 2HH1 ARG 85 2HH1 ARG 85 4.744 7.283 -7.773 711 1HH2 ARG 85 1HH2 ARG 85 2.799 4.628 -8.841 712 2HH2 ARG 85 2HH2 ARG 85 4.376 5.345 -8.849 713 H GLU 86 H GLU 86 -0.836 7.287 -2.159 714 HA GLU 86 HA GLU 86 -2.593 9.338 -2.542 715 1HB GLU 86 2HB GLU 86 -1.585 10.340 -0.593 716 2HB GLU 86 1HB GLU 86 -1.380 8.595 -0.453 717 1HG GLU 86 2HG GLU 86 0.911 8.936 -1.569 718 2HG GLU 86 1HG GLU 86 0.685 10.656 -1.246 719 H SER 87 H SER 87 -2.131 11.773 -2.564 720 HA SER 87 HA SER 87 -0.368 12.380 -4.874 721 1HB SER 87 2HB SER 87 -2.508 14.045 -3.523 722 2HB SER 87 1HB SER 87 -1.793 14.329 -5.109 723 HG SER 87 HG SER 87 -3.908 12.888 -4.541 724 H LYS 88 H LYS 88 1.201 13.996 -4.729 725 HA LYS 88 HA LYS 88 1.559 15.344 -2.113 726 1HB LYS 88 2HB LYS 88 2.973 13.069 -2.861 727 2HB LYS 88 1HB LYS 88 4.053 14.374 -3.354 728 1HG LYS 88 2HG LYS 88 2.910 14.921 -0.744 729 2HG LYS 88 1HG LYS 88 3.728 13.358 -0.755 730 1HD LYS 88 2HD LYS 88 5.191 15.514 -2.143 731 2HD LYS 88 1HD LYS 88 5.004 15.753 -0.405 732 1HE LYS 88 2HE LYS 88 5.776 13.006 -1.225 733 2HE LYS 88 1HE LYS 88 7.009 14.258 -1.466 734 1HZ LYS 88 1HZ LYS 88 5.435 14.038 1.034 735 2HZ LYS 88 2HZ LYS 88 6.857 14.927 0.768 736 3HZ LYS 88 3HZ LYS 88 6.911 13.229 0.828 737 H GLU 89 H GLU 89 2.776 14.862 -5.415 738 HA GLU 89 HA GLU 89 3.231 17.805 -5.665 739 1HB GLU 89 2HB GLU 89 5.080 16.085 -6.091 740 2HB GLU 89 1HB GLU 89 4.131 15.539 -7.475 741 1HG GLU 89 2HG GLU 89 4.122 18.042 -8.176 742 2HG GLU 89 1HG GLU 89 5.467 18.205 -7.046 743 H ASN 90 H ASN 90 1.620 18.817 -6.735 744 HA ASN 90 HA ASN 90 -0.719 17.712 -7.779 745 1HB ASN 90 2HB ASN 90 0.242 20.183 -7.304 746 2HB ASN 90 1HB ASN 90 0.372 20.171 -9.063 747 1HD2 ASN 90 1HD2 ASN 90 -1.437 21.924 -8.658 748 2HD2 ASN 90 2HD2 ASN 90 -3.035 21.349 -8.637 749 H LYS 91 H LYS 91 -0.068 15.887 -9.027 750 HA LYS 91 HA LYS 91 1.110 16.423 -11.715 751 1HB LYS 91 2HB LYS 91 1.175 14.302 -9.757 752 2HB LYS 91 1HB LYS 91 0.484 13.674 -11.255 753 1HG LYS 91 2HG LYS 91 2.541 15.095 -12.277 754 2HG LYS 91 1HG LYS 91 3.230 14.674 -10.709 755 1HD LYS 91 2HD LYS 91 2.786 12.301 -11.118 756 2HD LYS 91 1HD LYS 91 2.016 12.690 -12.657 757 1HE LYS 91 2HE LYS 91 4.060 13.328 -13.659 758 2HE LYS 91 1HE LYS 91 4.863 13.539 -12.090 759 1HZ LYS 91 1HZ LYS 91 5.571 11.448 -12.810 760 2HZ LYS 91 2HZ LYS 91 4.039 11.022 -13.408 761 3HZ LYS 91 3HZ LYS 91 4.308 11.094 -11.732 762 H GLU 92 H GLU 92 -0.171 15.553 -13.597 763 HA GLU 92 HA GLU 92 -2.954 16.241 -13.437 764 1HB GLU 92 2HB GLU 92 -1.467 16.251 -15.465 765 2HB GLU 92 1HB GLU 92 -1.506 14.487 -15.450 766 1HG GLU 92 2HG GLU 92 -3.278 14.842 -16.871 767 2HG GLU 92 1HG GLU 92 -4.150 14.959 -15.342 768 H ILE 93 H ILE 93 -3.394 14.880 -11.473 769 HA ILE 93 HA ILE 93 -3.875 11.997 -12.082 770 HB ILE 93 HB ILE 93 -3.292 13.667 -9.629 771 1HG1 ILE 93 2HG1 ILE 93 -1.494 12.552 -11.004 772 2HG1 ILE 93 1HG1 ILE 93 -1.527 12.043 -9.315 773 1HG2 ILE 93 1HG2 ILE 93 -4.874 11.125 -9.755 774 2HG2 ILE 93 2HG2 ILE 93 -4.980 12.452 -8.600 775 3HG2 ILE 93 3HG2 ILE 93 -3.674 11.275 -8.471 776 1HD1 ILE 93 1HD1 ILE 93 -1.941 9.900 -9.893 777 2HD1 ILE 93 2HD1 ILE 93 -1.642 10.368 -11.567 778 3HD1 ILE 93 3HD1 ILE 93 -3.285 10.382 -10.928 779 H GLU 94 H GLU 94 -5.974 11.672 -12.705 780 HA GLU 94 HA GLU 94 -8.145 13.321 -11.441 781 1HB GLU 94 2HB GLU 94 -7.679 13.043 -14.031 782 2HB GLU 94 1HB GLU 94 -8.479 11.490 -13.793 783 1HG GLU 94 2HG GLU 94 -10.415 12.621 -14.057 784 2HG GLU 94 1HG GLU 94 -10.127 13.227 -12.426 785 H LEU 95 H LEU 95 -10.000 12.126 -10.636 786 HA LEU 95 HA LEU 95 -9.805 9.226 -10.746 787 1HB LEU 95 2HB LEU 95 -9.059 10.883 -8.401 788 2HB LEU 95 1HB LEU 95 -9.994 9.437 -8.041 789 HG LEU 95 HG LEU 95 -8.028 8.644 -9.912 790 1HD1 LEU 95 1HD1 LEU 95 -6.493 9.749 -7.644 791 2HD1 LEU 95 2HD1 LEU 95 -7.112 10.965 -8.760 792 3HD1 LEU 95 3HD1 LEU 95 -6.068 9.675 -9.353 793 1HD2 LEU 95 1HD2 LEU 95 -8.998 7.331 -8.036 794 2HD2 LEU 95 2HD2 LEU 95 -8.103 8.336 -6.898 795 3HD2 LEU 95 3HD2 LEU 95 -7.239 7.295 -8.017 796 HA PRO 96 HA PRO 96 -13.999 10.100 -8.851 797 1HB PRO 96 2HB PRO 96 -14.536 12.409 -7.509 798 2HB PRO 96 1HB PRO 96 -13.814 10.985 -6.737 799 1HG PRO 96 2HG PRO 96 -12.555 13.509 -7.582 800 2HG PRO 96 1HG PRO 96 -12.142 12.422 -6.252 801 1HD PRO 96 2HD PRO 96 -10.803 12.603 -8.684 802 2HD PRO 96 1HD PRO 96 -10.691 11.282 -7.504
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