NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21413 | 2hjq | 7201 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -4.826 -2.139 2.390 2 2H MET 1 HT2 MET 1 -4.038 -0.809 1.697 3 3H MET 1 HT3 MET 1 -5.087 -1.754 0.759 4 HA MET 1 HA MET 1 -5.918 -0.179 3.117 5 1HB MET 1 HB2 MET 1 -5.886 0.464 0.185 6 2HB MET 1 HB1 MET 1 -7.124 1.153 1.227 7 1HG MET 1 HG2 MET 1 -4.152 1.457 1.595 8 2HG MET 1 HG1 MET 1 -5.240 2.669 0.919 9 1HE MET 1 HE1 MET 1 -3.301 3.354 3.321 10 2HE MET 1 HE2 MET 1 -4.387 4.243 4.389 11 3HE MET 1 HE3 MET 1 -4.458 4.504 2.646 12 H PHE 2 HN PHE 2 -7.902 -0.625 3.819 13 HA PHE 2 HA PHE 2 -9.544 -2.487 2.241 14 1HB PHE 2 HB2 PHE 2 -9.859 -1.762 5.165 15 2HB PHE 2 HB1 PHE 2 -10.643 -3.082 4.308 16 HD1 PHE 2 HD2 PHE 2 -9.412 -5.113 3.759 17 HD2 PHE 2 HD1 PHE 2 -7.598 -1.943 5.943 18 HE1 PHE 2 HE2 PHE 2 -7.604 -6.630 4.456 19 HE2 PHE 2 HE1 PHE 2 -5.790 -3.454 6.643 20 HZ PHE 2 HZ PHE 2 -5.792 -5.802 5.898 21 H THR 3 HN THR 3 -11.654 -1.907 1.691 22 HA THR 3 HA THR 3 -12.704 0.590 2.768 23 HB THR 3 HB THR 3 -11.602 1.370 0.770 24 HG1 THR 3 HG1 THR 3 -14.208 1.240 -0.206 25 1HG2 THR 3 HG21 THR 3 -13.169 -0.731 -0.727 26 2HG2 THR 3 HG22 THR 3 -11.429 -0.744 -0.439 27 3HG2 THR 3 HG23 THR 3 -12.146 0.507 -1.455 28 H ALA 4 HN ALA 4 -14.922 0.741 2.751 29 HA ALA 4 HA ALA 4 -16.397 -1.609 1.769 30 1HB ALA 4 HB1 ALA 4 -16.115 -1.801 4.188 31 2HB ALA 4 HB2 ALA 4 -17.805 -1.527 3.768 32 3HB ALA 4 HB3 ALA 4 -16.830 -0.203 4.404 33 H LYS 5 HN LYS 5 -18.441 -1.212 0.964 34 HA LYS 5 HA LYS 5 -19.374 1.572 0.935 35 1HB LYS 5 HB2 LYS 5 -18.206 1.169 -1.182 36 2HB LYS 5 HB1 LYS 5 -19.189 -0.260 -1.468 37 1HG LYS 5 HG2 LYS 5 -21.147 1.052 -1.784 38 2HG LYS 5 HG1 LYS 5 -20.331 2.514 -1.225 39 1HD LYS 5 HD2 LYS 5 -20.525 2.497 -3.657 40 2HD LYS 5 HD1 LYS 5 -18.836 2.421 -3.160 41 1HE LYS 5 HE2 LYS 5 -19.071 0.867 -4.921 42 2HE LYS 5 HE1 LYS 5 -18.998 -0.084 -3.439 43 1HZ LYS 5 HZ1 LYS 5 -21.374 0.520 -5.105 44 2HZ LYS 5 HZ2 LYS 5 -21.512 -0.060 -3.523 45 3HZ LYS 5 HZ3 LYS 5 -20.736 -1.000 -4.701 46 H LEU 6 HN LEU 6 -21.484 1.770 1.378 47 HA LEU 6 HA LEU 6 -22.955 -0.452 2.299 48 1HB LEU 6 HB2 LEU 6 -23.306 2.410 2.153 49 2HB LEU 6 HB1 LEU 6 -24.800 1.583 1.764 50 HG LEU 6 HG LEU 6 -23.208 1.320 4.304 51 1HD1 LEU 6 HD11 LEU 6 -25.935 2.457 3.732 52 2HD1 LEU 6 HD12 LEU 6 -24.488 3.375 4.144 53 3HD1 LEU 6 HD13 LEU 6 -25.209 2.286 5.330 54 1HD2 LEU 6 HD21 LEU 6 -25.749 -0.086 3.486 55 2HD2 LEU 6 HD22 LEU 6 -24.996 -0.157 5.079 56 3HD2 LEU 6 HD23 LEU 6 -24.167 -0.839 3.680 57 H ILE 7 HN ILE 7 -23.891 -1.966 1.130 58 HA ILE 7 HA ILE 7 -25.068 -1.215 -1.460 59 HB ILE 7 HB ILE 7 -25.008 -3.575 -2.057 60 1HG1 ILE 7 HG12 ILE 7 -23.650 -4.036 0.607 61 2HG1 ILE 7 HG11 ILE 7 -25.313 -4.483 0.242 62 1HG2 ILE 7 HG21 ILE 7 -22.369 -2.586 -1.005 63 2HG2 ILE 7 HG22 ILE 7 -23.073 -2.219 -2.581 64 3HG2 ILE 7 HG23 ILE 7 -22.582 -3.870 -2.196 65 1HD1 ILE 7 HD11 ILE 7 -22.854 -5.567 -1.111 66 2HD1 ILE 7 HD12 ILE 7 -24.519 -6.015 -1.482 67 3HD1 ILE 7 HD13 ILE 7 -23.834 -6.396 0.097 68 H LYS 8 HN LYS 8 -25.691 -2.487 1.696 69 HA LYS 8 HA LYS 8 -28.383 -3.360 1.051 70 1HB LYS 8 HB2 LYS 8 -26.815 -4.555 2.656 71 2HB LYS 8 HB1 LYS 8 -27.081 -3.222 3.771 72 1HG LYS 8 HG2 LYS 8 -28.504 -5.097 4.322 73 2HG LYS 8 HG1 LYS 8 -29.479 -3.723 3.786 74 1HD LYS 8 HD2 LYS 8 -29.629 -4.698 1.558 75 2HD LYS 8 HD1 LYS 8 -28.652 -6.067 2.088 76 1HE LYS 8 HE2 LYS 8 -30.386 -6.661 3.717 77 2HE LYS 8 HE1 LYS 8 -31.360 -5.297 3.170 78 1HZ LYS 8 HZ1 LYS 8 -31.557 -6.291 1.014 79 2HZ LYS 8 HZ2 LYS 8 -32.023 -7.437 2.173 80 3HZ LYS 8 HZ3 LYS 8 -30.502 -7.549 1.437 81 H GLY 9 HN GLY 9 -26.769 -0.695 2.624 82 1HA GLY 9 HA2 GLY 9 -29.361 0.341 3.540 83 2HA GLY 9 HA1 GLY 9 -27.799 0.792 4.207 84 H LYS 10 HN LYS 10 -28.407 2.947 3.946 85 HA LYS 10 HA LYS 10 -27.918 4.048 1.295 86 1HB LYS 10 HB2 LYS 10 -30.148 5.063 3.079 87 2HB LYS 10 HB1 LYS 10 -29.748 5.623 1.463 88 1HG LYS 10 HG2 LYS 10 -30.837 2.899 2.146 89 2HG LYS 10 HG1 LYS 10 -31.772 4.250 1.506 90 1HD LYS 10 HD2 LYS 10 -30.461 4.221 -0.538 91 2HD LYS 10 HD1 LYS 10 -29.442 2.932 0.109 92 1HE LYS 10 HE2 LYS 10 -31.473 1.500 0.282 93 2HE LYS 10 HE1 LYS 10 -32.387 2.772 -0.527 94 1HZ LYS 10 HZ1 LYS 10 -30.092 1.255 -1.653 95 2HZ LYS 10 HZ2 LYS 10 -30.867 2.550 -2.429 96 3HZ LYS 10 HZ3 LYS 10 -31.718 1.121 -2.112 97 H THR 11 HN THR 11 -28.443 4.559 4.742 98 HA THR 11 HA THR 11 -25.873 5.875 4.945 99 HB THR 11 HB THR 11 -28.334 7.232 6.079 100 HG1 THR 11 HG1 THR 11 -27.221 7.358 3.594 101 1HG2 THR 11 HG21 THR 11 -25.445 8.101 5.897 102 2HG2 THR 11 HG22 THR 11 -26.283 7.594 7.364 103 3HG2 THR 11 HG23 THR 11 -26.771 9.074 6.537 104 H TYR 12 HN TYR 12 -24.895 4.792 6.549 105 HA TYR 12 HA TYR 12 -26.494 3.801 8.798 106 1HB TYR 12 HB2 TYR 12 -26.192 2.071 6.933 107 2HB TYR 12 HB1 TYR 12 -24.485 2.072 7.349 108 HD1 TYR 12 HD2 TYR 12 -27.840 1.087 8.396 109 HD2 TYR 12 HD1 TYR 12 -23.715 1.057 9.428 110 HE1 TYR 12 HE2 TYR 12 -28.287 -0.626 10.096 111 HE2 TYR 12 HE1 TYR 12 -24.146 -0.663 11.132 112 HH TYR 12 HH TYR 12 -26.163 -1.419 12.522 113 H ASN 13 HN ASN 13 -25.418 3.780 10.736 114 HA ASN 13 HA ASN 13 -22.677 4.850 10.686 115 1HB ASN 13 HB2 ASN 13 -24.767 4.975 12.875 116 2HB ASN 13 HB1 ASN 13 -23.131 5.614 13.007 117 1HD2 ASN 13 HD21 ASN 13 -22.583 7.482 11.888 118 2HD2 ASN 13 HD22 ASN 13 -23.773 8.526 11.194 119 H VAL 14 HN VAL 14 -21.192 3.357 10.979 120 HA VAL 14 HA VAL 14 -21.799 1.005 12.633 121 HB VAL 14 HB VAL 14 -19.625 1.479 10.592 122 1HG1 VAL 14 HG11 VAL 14 -20.104 -0.948 12.315 123 2HG1 VAL 14 HG12 VAL 14 -18.711 0.135 12.386 124 3HG1 VAL 14 HG13 VAL 14 -18.979 -0.867 10.960 125 1HG2 VAL 14 HG21 VAL 14 -21.820 1.049 9.636 126 2HG2 VAL 14 HG22 VAL 14 -21.964 -0.418 10.604 127 3HG2 VAL 14 HG23 VAL 14 -20.732 -0.308 9.349 128 H MET 15 HN MET 15 -21.332 1.452 14.691 129 HA MET 15 HA MET 15 -20.157 1.868 16.583 130 1HB MET 15 HB2 MET 15 -18.425 0.433 15.521 131 2HB MET 15 HB1 MET 15 -17.706 1.869 14.806 132 1HG MET 15 HG2 MET 15 -17.322 2.749 17.093 133 2HG MET 15 HG1 MET 15 -17.919 1.220 17.736 134 1HE MET 15 HE1 MET 15 -15.244 -1.292 16.253 135 2HE MET 15 HE2 MET 15 -16.765 -0.797 15.510 136 3HE MET 15 HE3 MET 15 -16.702 -1.154 17.236 137 H GLY 16 HN GLY 16 -17.990 3.636 14.427 138 1HA GLY 16 HA2 GLY 16 -19.159 6.179 15.314 139 2HA GLY 16 HA1 GLY 16 -17.438 5.907 15.564 140 H ILE 17 HN ILE 17 -18.608 4.342 12.826 141 HA ILE 17 HA ILE 17 -17.422 6.416 11.099 142 HB ILE 17 HB ILE 17 -17.843 3.522 10.353 143 1HG1 ILE 17 HG12 ILE 17 -16.405 3.582 12.345 144 2HG1 ILE 17 HG11 ILE 17 -15.491 3.108 10.919 145 1HG2 ILE 17 HG21 ILE 17 -16.105 3.995 8.690 146 2HG2 ILE 17 HG22 ILE 17 -16.017 5.660 9.264 147 3HG2 ILE 17 HG23 ILE 17 -17.495 5.066 8.507 148 1HD1 ILE 17 HD11 ILE 17 -15.499 5.840 12.175 149 2HD1 ILE 17 HD12 ILE 17 -14.569 5.353 10.758 150 3HD1 ILE 17 HD13 ILE 17 -14.229 4.626 12.329 151 H THR 18 HN THR 18 -18.582 7.175 9.340 152 HA THR 18 HA THR 18 -21.400 6.315 9.261 153 HB THR 18 HB THR 18 -20.271 8.934 8.273 154 HG1 THR 18 HG1 THR 18 -20.158 8.427 10.652 155 1HG2 THR 18 HG21 THR 18 -23.096 8.042 8.880 156 2HG2 THR 18 HG22 THR 18 -22.410 8.270 7.270 157 3HG2 THR 18 HG23 THR 18 -22.616 9.653 8.347 158 H PHE 19 HN PHE 19 -21.818 5.004 7.625 159 HA PHE 19 HA PHE 19 -20.404 5.413 5.075 160 1HB PHE 19 HB2 PHE 19 -21.885 2.986 6.109 161 2HB PHE 19 HB1 PHE 19 -21.131 3.106 4.525 162 HD1 PHE 19 HD2 PHE 19 -18.668 3.250 4.341 163 HD2 PHE 19 HD1 PHE 19 -20.624 2.504 8.045 164 HE1 PHE 19 HE2 PHE 19 -16.556 2.411 5.282 165 HE2 PHE 19 HE1 PHE 19 -18.517 1.663 8.993 166 HZ PHE 19 HZ PHE 19 -16.482 1.616 7.611 167 H ARG 20 HN ARG 20 -21.586 5.525 3.157 168 HA ARG 20 HA ARG 20 -24.511 5.593 3.403 169 1HB ARG 20 HB2 ARG 20 -22.887 7.568 1.778 170 2HB ARG 20 HB1 ARG 20 -24.638 7.530 1.931 171 1HG ARG 20 HG2 ARG 20 -24.389 8.003 4.353 172 2HG ARG 20 HG1 ARG 20 -22.651 8.161 4.104 173 1HD ARG 20 HD2 ARG 20 -23.550 10.352 4.094 174 2HD ARG 20 HD1 ARG 20 -23.159 9.953 2.421 175 HE ARG 20 HE ARG 20 -25.555 9.544 2.084 176 1HH1 ARG 20 HH11 ARG 20 -24.578 11.395 4.892 177 2HH1 ARG 20 HH12 ARG 20 -26.105 12.218 5.045 178 1HH2 ARG 20 HH21 ARG 20 -27.568 10.622 2.275 179 2HH2 ARG 20 HH22 ARG 20 -27.799 11.790 3.548 180 H ALA 21 HN ALA 21 -25.606 4.704 1.644 181 HA ALA 21 HA ALA 21 -24.297 2.820 0.068 182 1HB ALA 21 HB1 ALA 21 -26.694 2.798 0.442 183 2HB ALA 21 HB2 ALA 21 -26.326 2.738 -1.281 184 3HB ALA 21 HB3 ALA 21 -26.876 4.246 -0.551 185 H GLY 22 HN GLY 22 -23.099 2.894 -1.707 186 1HA GLY 22 HA2 GLY 22 -22.443 3.674 -3.830 187 2HA GLY 22 HA1 GLY 22 -23.298 5.178 -3.516 188 H VAL 23 HN VAL 23 -21.836 4.921 -0.752 189 HA VAL 23 HA VAL 23 -19.477 6.416 -1.660 190 HB VAL 23 HB VAL 23 -20.811 6.373 1.055 191 1HG1 VAL 23 HG11 VAL 23 -19.358 8.274 1.588 192 2HG1 VAL 23 HG12 VAL 23 -18.547 8.085 0.034 193 3HG1 VAL 23 HG13 VAL 23 -18.428 6.814 1.250 194 1HG2 VAL 23 HG21 VAL 23 -20.822 8.487 -1.097 195 2HG2 VAL 23 HG22 VAL 23 -21.536 8.647 0.509 196 3HG2 VAL 23 HG23 VAL 23 -22.185 7.467 -0.631 197 H SER 24 HN SER 24 -17.699 5.203 -1.761 198 HA SER 24 HA SER 24 -17.251 2.999 0.068 199 1HB SER 24 HB2 SER 24 -15.378 4.182 -2.000 200 2HB SER 24 HB1 SER 24 -15.217 2.614 -1.207 201 HG SER 24 HG SER 24 -17.150 3.453 -3.100 202 H GLN 25 HN GLN 25 -15.913 3.028 1.822 203 HA GLN 25 HA GLN 25 -14.296 5.430 2.280 204 1HB GLN 25 HB2 GLN 25 -16.551 5.603 3.421 205 2HB GLN 25 HB1 GLN 25 -16.073 4.230 4.406 206 1HG GLN 25 HG2 GLN 25 -14.287 5.470 5.390 207 2HG GLN 25 HG1 GLN 25 -14.544 6.816 4.279 208 1HE2 GLN 25 HE21 GLN 25 -17.450 6.523 4.450 209 2HE2 GLN 25 HE22 GLN 25 -17.917 7.192 5.974 210 H THR 26 HN THR 26 -12.352 5.016 3.184 211 HA THR 26 HA THR 26 -11.455 2.325 3.267 212 HB THR 26 HB THR 26 -9.340 3.442 4.228 213 HG1 THR 26 HG1 THR 26 -10.473 5.361 4.918 214 1HG2 THR 26 HG21 THR 26 -10.392 4.322 1.535 215 2HG2 THR 26 HG22 THR 26 -9.586 2.791 1.874 216 3HG2 THR 26 HG23 THR 26 -8.700 4.307 2.032 217 H VAL 27 HN VAL 27 -11.245 0.956 4.908 218 HA VAL 27 HA VAL 27 -11.672 1.965 7.641 219 HB VAL 27 HB VAL 27 -12.904 -0.096 8.185 220 1HG1 VAL 27 HG11 VAL 27 -14.986 0.447 7.016 221 2HG1 VAL 27 HG12 VAL 27 -14.081 1.457 5.887 222 3HG1 VAL 27 HG13 VAL 27 -14.156 1.890 7.596 223 1HG2 VAL 27 HG21 VAL 27 -12.762 -0.664 5.223 224 2HG2 VAL 27 HG22 VAL 27 -13.727 -1.559 6.398 225 3HG2 VAL 27 HG23 VAL 27 -11.969 -1.584 6.503 226 HA PRO 28 HA PRO 28 -8.110 -0.500 8.746 227 1HB PRO 28 HB2 PRO 28 -9.360 -1.038 11.342 228 2HB PRO 28 HB1 PRO 28 -7.914 -0.096 10.977 229 1HG PRO 28 HG2 PRO 28 -10.205 1.051 11.817 230 2HG PRO 28 HG1 PRO 28 -9.097 1.858 10.693 231 1HD PRO 28 HD2 PRO 28 -11.660 0.414 10.118 232 2HD PRO 28 HD1 PRO 28 -11.048 1.937 9.436 233 H LYS 29 HN LYS 29 -7.551 -2.683 9.547 234 HA LYS 29 HA LYS 29 -8.960 -4.679 8.206 235 1HB LYS 29 HB2 LYS 29 -6.575 -4.790 8.922 236 2HB LYS 29 HB1 LYS 29 -7.117 -5.039 10.576 237 1HG LYS 29 HG2 LYS 29 -8.203 -7.122 9.916 238 2HG LYS 29 HG1 LYS 29 -7.671 -6.872 8.251 239 1HD LYS 29 HD2 LYS 29 -5.331 -6.923 9.012 240 2HD LYS 29 HD1 LYS 29 -5.886 -7.225 10.659 241 1HE LYS 29 HE2 LYS 29 -6.477 -9.003 8.301 242 2HE LYS 29 HE1 LYS 29 -5.157 -9.265 9.438 243 1HZ LYS 29 HZ1 LYS 29 -7.083 -10.605 9.988 244 2HZ LYS 29 HZ2 LYS 29 -8.053 -9.224 10.127 245 3HZ LYS 29 HZ3 LYS 29 -6.780 -9.482 11.218 246 H LYS 30 HN LYS 30 -9.162 -3.614 11.549 247 HA LYS 30 HA LYS 30 -10.694 -5.649 12.659 248 1HB LYS 30 HB2 LYS 30 -10.752 -2.685 13.257 249 2HB LYS 30 HB1 LYS 30 -11.477 -3.923 14.272 250 1HG LYS 30 HG2 LYS 30 -9.319 -4.872 14.743 251 2HG LYS 30 HG1 LYS 30 -8.544 -3.763 13.608 252 1HD LYS 30 HD2 LYS 30 -9.220 -1.865 14.975 253 2HD LYS 30 HD1 LYS 30 -10.056 -2.948 16.089 254 1HE LYS 30 HE2 LYS 30 -7.099 -3.041 15.513 255 2HE LYS 30 HE1 LYS 30 -7.821 -2.201 16.883 256 1HZ LYS 30 HZ1 LYS 30 -8.726 -4.315 17.649 257 2HZ LYS 30 HZ2 LYS 30 -7.037 -4.383 17.527 258 3HZ LYS 30 HZ3 LYS 30 -8.004 -5.122 16.343 259 H LEU 31 HN LEU 31 -11.785 -2.653 11.080 260 HA LEU 31 HA LEU 31 -14.547 -3.293 11.417 261 1HB LEU 31 HB2 LEU 31 -13.173 -1.195 9.744 262 2HB LEU 31 HB1 LEU 31 -14.913 -1.334 9.903 263 HG LEU 31 HG LEU 31 -12.976 -0.741 12.145 264 1HD1 LEU 31 HD11 LEU 31 -15.030 1.001 10.785 265 2HD1 LEU 31 HD12 LEU 31 -13.281 1.129 10.602 266 3HD1 LEU 31 HD13 LEU 31 -14.030 1.460 12.163 267 1HD2 LEU 31 HD21 LEU 31 -14.871 -2.050 12.937 268 2HD2 LEU 31 HD22 LEU 31 -15.989 -0.933 12.154 269 3HD2 LEU 31 HD23 LEU 31 -14.991 -0.383 13.500 270 H TYR 32 HN TYR 32 -12.170 -3.778 8.909 271 HA TYR 32 HA TYR 32 -13.859 -4.312 6.747 272 1HB TYR 32 HB2 TYR 32 -11.420 -4.046 6.531 273 2HB TYR 32 HB1 TYR 32 -11.176 -5.561 7.392 274 HD1 TYR 32 HD2 TYR 32 -12.593 -4.107 4.284 275 HD2 TYR 32 HD1 TYR 32 -11.197 -7.617 6.243 276 HE1 TYR 32 HE2 TYR 32 -12.676 -5.323 2.151 277 HE2 TYR 32 HE1 TYR 32 -11.275 -8.843 4.112 278 HH TYR 32 HH TYR 32 -11.513 -7.363 1.148 279 H GLU 33 HN GLU 33 -12.565 -6.512 9.229 280 HA GLU 33 HA GLU 33 -14.047 -8.738 8.156 281 1HB GLU 33 HB2 GLU 33 -12.374 -8.431 10.648 282 2HB GLU 33 HB1 GLU 33 -13.171 -9.932 10.187 283 1HG GLU 33 HG2 GLU 33 -11.905 -10.047 8.150 284 2HG GLU 33 HG1 GLU 33 -11.183 -8.468 8.468 285 H TYR 34 HN TYR 34 -14.493 -6.364 10.666 286 HA TYR 34 HA TYR 34 -16.676 -7.558 11.985 287 1HB TYR 34 HB2 TYR 34 -15.480 -5.574 12.844 288 2HB TYR 34 HB1 TYR 34 -16.121 -4.619 11.511 289 HD1 TYR 34 HD1 TYR 34 -17.019 -6.419 14.608 290 HD2 TYR 34 HD2 TYR 34 -18.333 -3.727 11.586 291 HE1 TYR 34 HE1 TYR 34 -18.996 -5.869 15.962 292 HE2 TYR 34 HE2 TYR 34 -20.312 -3.168 12.933 293 HH TYR 34 HH TYR 34 -21.673 -4.278 14.748 294 H LEU 35 HN LEU 35 -16.453 -5.480 9.134 295 HA LEU 35 HA LEU 35 -19.302 -5.645 8.642 296 1HB LEU 35 HB2 LEU 35 -17.094 -4.476 6.943 297 2HB LEU 35 HB1 LEU 35 -18.814 -4.302 6.643 298 HG LEU 35 HG LEU 35 -17.288 -3.182 8.997 299 1HD1 LEU 35 HD11 LEU 35 -17.873 -1.018 8.040 300 2HD1 LEU 35 HD12 LEU 35 -18.652 -1.824 6.677 301 3HD1 LEU 35 HD13 LEU 35 -16.910 -1.975 6.915 302 1HD2 LEU 35 HD21 LEU 35 -19.396 -2.140 9.648 303 2HD2 LEU 35 HD22 LEU 35 -19.530 -3.899 9.657 304 3HD2 LEU 35 HD23 LEU 35 -20.222 -2.967 8.328 305 H ASN 36 HN ASN 36 -16.614 -7.562 8.015 306 HA ASN 36 HA ASN 36 -17.518 -8.810 5.620 307 1HB ASN 36 HB2 ASN 36 -15.188 -9.002 6.337 308 2HB ASN 36 HB1 ASN 36 -15.685 -9.826 7.808 309 1HD2 ASN 36 HD21 ASN 36 -15.960 -11.982 7.776 310 2HD2 ASN 36 HD22 ASN 36 -15.776 -12.959 6.366 311 H GLU 37 HN GLU 37 -18.079 -9.263 9.038 312 HA GLU 37 HA GLU 37 -19.788 -11.541 8.723 313 1HB GLU 37 HB2 GLU 37 -18.776 -11.233 10.858 314 2HB GLU 37 HB1 GLU 37 -19.350 -9.575 10.970 315 1HG GLU 37 HG2 GLU 37 -21.639 -10.366 11.170 316 2HG GLU 37 HG1 GLU 37 -21.086 -12.032 11.013 317 H ASN 38 HN ASN 38 -20.244 -8.058 8.844 318 HA ASN 38 HA ASN 38 -23.135 -8.286 8.913 319 1HB ASN 38 HB2 ASN 38 -21.218 -5.973 9.008 320 2HB ASN 38 HB1 ASN 38 -22.944 -5.714 8.769 321 1HD2 ASN 38 HD21 ASN 38 -20.482 -6.810 10.986 322 2HD2 ASN 38 HD22 ASN 38 -21.479 -6.789 12.399 323 HA PRO 39 HA PRO 39 -23.016 -8.393 4.437 324 1HB PRO 39 HB2 PRO 39 -25.520 -9.267 4.059 325 2HB PRO 39 HB1 PRO 39 -24.261 -10.322 4.712 326 1HG PRO 39 HG2 PRO 39 -26.424 -8.837 6.159 327 2HG PRO 39 HG1 PRO 39 -25.870 -10.507 6.385 328 1HD PRO 39 HD2 PRO 39 -25.085 -8.424 7.972 329 2HD PRO 39 HD1 PRO 39 -24.100 -9.873 7.693 330 H TYR 40 HN TYR 40 -23.352 -5.800 5.591 331 HA TYR 40 HA TYR 40 -25.659 -4.728 4.111 332 1HB TYR 40 HB2 TYR 40 -23.841 -3.262 6.029 333 2HB TYR 40 HB1 TYR 40 -25.318 -2.648 5.303 334 HD1 TYR 40 HD2 TYR 40 -23.934 -4.932 7.823 335 HD2 TYR 40 HD1 TYR 40 -27.465 -3.194 6.210 336 HE1 TYR 40 HE2 TYR 40 -25.190 -5.658 9.806 337 HE2 TYR 40 HE1 TYR 40 -28.728 -3.906 8.191 338 HH TYR 40 HH TYR 40 -27.185 -5.094 11.022 339 H PHE 41 HN PHE 41 -22.311 -5.161 3.814 340 HA PHE 41 HA PHE 41 -22.086 -2.822 2.038 341 1HB PHE 41 HB2 PHE 41 -19.939 -3.888 3.885 342 2HB PHE 41 HB1 PHE 41 -19.794 -2.498 2.815 343 HD1 PHE 41 HD2 PHE 41 -21.303 -3.772 5.910 344 HD2 PHE 41 HD1 PHE 41 -20.718 -0.379 3.409 345 HE1 PHE 41 HE2 PHE 41 -22.084 -2.306 7.722 346 HE2 PHE 41 HE1 PHE 41 -21.494 1.090 5.220 347 HZ PHE 41 HZ PHE 41 -22.178 0.129 7.381 348 H ILE 42 HN ILE 42 -20.619 -3.009 0.287 349 HA ILE 42 HA ILE 42 -19.705 -5.732 -0.292 350 HB ILE 42 HB ILE 42 -20.788 -4.342 -2.121 351 1HG1 ILE 42 HG12 ILE 42 -17.947 -5.238 -2.647 352 2HG1 ILE 42 HG11 ILE 42 -19.338 -6.312 -2.548 353 1HG2 ILE 42 HG21 ILE 42 -18.177 -2.833 -2.043 354 2HG2 ILE 42 HG22 ILE 42 -19.752 -2.188 -1.575 355 3HG2 ILE 42 HG23 ILE 42 -19.452 -2.652 -3.249 356 1HD1 ILE 42 HD11 ILE 42 -18.927 -4.131 -4.582 357 2HD1 ILE 42 HD12 ILE 42 -20.334 -5.191 -4.477 358 3HD1 ILE 42 HD13 ILE 42 -18.748 -5.865 -4.853 359 H LEU 43 HN LEU 43 -17.592 -6.293 -0.132 360 HA LEU 43 HA LEU 43 -15.886 -4.253 1.110 361 1HB LEU 43 HB2 LEU 43 -15.881 -7.251 1.436 362 2HB LEU 43 HB1 LEU 43 -14.736 -6.158 2.195 363 HG LEU 43 HG LEU 43 -17.710 -6.000 2.655 364 1HD1 LEU 43 HD11 LEU 43 -15.621 -7.358 4.342 365 2HD1 LEU 43 HD12 LEU 43 -16.871 -8.166 3.395 366 3HD1 LEU 43 HD13 LEU 43 -17.322 -7.138 4.756 367 1HD2 LEU 43 HD21 LEU 43 -17.053 -4.688 4.604 368 2HD2 LEU 43 HD22 LEU 43 -16.464 -3.955 3.111 369 3HD2 LEU 43 HD23 LEU 43 -15.358 -4.856 4.150 370 H THR 44 HN THR 44 -13.963 -3.797 0.322 371 HA THR 44 HA THR 44 -12.735 -5.551 -1.665 372 HB THR 44 HB THR 44 -13.114 -2.592 -2.192 373 HG1 THR 44 HG1 THR 44 -14.897 -4.599 -2.448 374 1HG2 THR 44 HG21 THR 44 -12.255 -4.882 -3.960 375 2HG2 THR 44 HG22 THR 44 -11.209 -3.610 -3.326 376 3HG2 THR 44 HG23 THR 44 -12.481 -3.214 -4.482 377 H GLN 45 HN GLN 45 -10.552 -5.635 -1.372 378 HA GLN 45 HA GLN 45 -9.300 -3.378 0.027 379 1HB GLN 45 HB2 GLN 45 -7.751 -4.926 1.144 380 2HB GLN 45 HB1 GLN 45 -9.419 -5.207 1.617 381 1HG GLN 45 HG2 GLN 45 -9.548 -7.189 0.350 382 2HG GLN 45 HG1 GLN 45 -8.050 -6.826 -0.508 383 1HE2 GLN 45 HE21 GLN 45 -8.834 -9.166 1.100 384 2HE2 GLN 45 HE22 GLN 45 -7.611 -9.309 2.317 385 H GLU 46 HN GLU 46 -7.598 -2.538 -0.950 386 HA GLU 46 HA GLU 46 -6.241 -4.108 -3.024 387 1HB GLU 46 HB2 GLU 46 -7.083 -1.215 -3.335 388 2HB GLU 46 HB1 GLU 46 -6.200 -2.173 -4.516 389 1HG GLU 46 HG2 GLU 46 -8.146 -3.681 -4.694 390 2HG GLU 46 HG1 GLU 46 -9.027 -2.627 -3.590 391 H LEU 47 HN LEU 47 -4.070 -3.444 -3.430 392 HA LEU 47 HA LEU 47 -2.912 -2.112 -1.078 393 1HB LEU 47 HB2 LEU 47 -1.661 -4.068 -3.008 394 2HB LEU 47 HB1 LEU 47 -0.833 -3.321 -1.655 395 HG LEU 47 HG LEU 47 -3.185 -5.205 -1.443 396 1HD1 LEU 47 HD11 LEU 47 -1.173 -6.349 -2.162 397 2HD1 LEU 47 HD12 LEU 47 -1.545 -6.758 -0.487 398 3HD1 LEU 47 HD13 LEU 47 -0.258 -5.608 -0.850 399 1HD2 LEU 47 HD21 LEU 47 -2.737 -5.163 0.954 400 2HD2 LEU 47 HD22 LEU 47 -3.140 -3.553 0.360 401 3HD2 LEU 47 HD23 LEU 47 -1.462 -3.970 0.704 402 H ASN 48 HN ASN 48 -2.660 -0.014 -1.562 403 HA ASN 48 HA ASN 48 -1.758 0.893 -4.121 404 1HB ASN 48 HB2 ASN 48 -1.565 3.100 -3.068 405 2HB ASN 48 HB1 ASN 48 -3.108 2.357 -2.674 406 1HD2 ASN 48 HD21 ASN 48 -1.418 4.438 -1.366 407 2HD2 ASN 48 HD22 ASN 48 -1.261 3.908 0.279 408 H ASN 49 HN ASN 49 -0.295 0.201 -1.014 409 HA ASN 49 HA ASN 49 2.364 0.824 -1.981 410 1HB ASN 49 HB2 ASN 49 1.818 1.343 0.348 411 2HB ASN 49 HB1 ASN 49 1.418 -0.344 0.652 412 1HD2 ASN 49 HD21 ASN 49 3.988 1.938 0.061 413 2HD2 ASN 49 HD22 ASN 49 5.273 0.927 0.623 414 H GLN 50 HN GLN 50 2.589 -0.613 -3.672 415 HA GLN 50 HA GLN 50 2.235 -3.439 -3.339 416 1HB GLN 50 HB2 GLN 50 3.615 -1.856 -5.519 417 2HB GLN 50 HB1 GLN 50 3.262 -3.578 -5.592 418 1HG GLN 50 HG2 GLN 50 0.897 -3.145 -5.560 419 2HG GLN 50 HG1 GLN 50 1.179 -1.422 -5.320 420 1HE2 GLN 50 HE21 GLN 50 0.043 -0.881 -7.177 421 2HE2 GLN 50 HE22 GLN 50 0.691 -1.145 -8.760 422 H LYS 51 HN LYS 51 5.075 -1.372 -3.888 423 HA LYS 51 HA LYS 51 6.618 -3.136 -2.139 424 1HB LYS 51 HB2 LYS 51 7.351 -2.303 -4.934 425 2HB LYS 51 HB1 LYS 51 8.595 -2.673 -3.751 426 1HG LYS 51 HG2 LYS 51 6.424 -4.554 -4.662 427 2HG LYS 51 HG1 LYS 51 8.109 -4.582 -5.187 428 1HD LYS 51 HD2 LYS 51 8.785 -4.941 -2.825 429 2HD LYS 51 HD1 LYS 51 7.079 -5.045 -2.387 430 1HE LYS 51 HE2 LYS 51 7.920 -7.273 -2.622 431 2HE LYS 51 HE1 LYS 51 6.857 -6.946 -3.988 432 1HZ LYS 51 HZ1 LYS 51 9.829 -6.795 -4.054 433 2HZ LYS 51 HZ2 LYS 51 8.789 -6.543 -5.368 434 3HZ LYS 51 HZ3 LYS 51 8.898 -8.077 -4.660 435 H ASP 52 HN ASP 52 7.403 -1.978 -0.548 436 HA ASP 52 HA ASP 52 8.304 0.781 -1.078 437 1HB ASP 52 HB2 ASP 52 6.497 0.247 0.752 438 2HB ASP 52 HB1 ASP 52 7.862 -0.358 1.682 439 H ASP 53 HN ASP 53 9.938 0.843 1.315 440 HA ASP 53 HA ASP 53 12.110 -0.933 0.463 441 1HB ASP 53 HB2 ASP 53 12.499 1.552 0.793 442 2HB ASP 53 HB1 ASP 53 12.231 1.291 2.513 443 HA PRO 54 HA PRO 54 10.455 -3.215 3.967 444 1HB PRO 54 HB2 PRO 54 10.957 -5.683 2.975 445 2HB PRO 54 HB1 PRO 54 9.607 -4.687 2.429 446 1HG PRO 54 HG2 PRO 54 12.086 -5.394 1.031 447 2HG PRO 54 HG1 PRO 54 10.561 -4.784 0.372 448 1HD PRO 54 HD2 PRO 54 12.994 -3.331 0.925 449 2HD PRO 54 HD1 PRO 54 11.502 -2.741 0.170 450 H ILE 55 HN ILE 55 12.378 -2.261 5.102 451 HA ILE 55 HA ILE 55 13.868 -4.350 6.343 452 HB ILE 55 HB ILE 55 15.161 -4.147 4.273 453 1HG1 ILE 55 HG12 ILE 55 17.386 -3.830 5.277 454 2HG1 ILE 55 HG11 ILE 55 16.645 -3.065 6.678 455 1HG2 ILE 55 HG21 ILE 55 14.700 -1.841 3.714 456 2HG2 ILE 55 HG22 ILE 55 16.441 -2.114 3.782 457 3HG2 ILE 55 HG23 ILE 55 15.624 -1.292 5.111 458 1HD1 ILE 55 HD11 ILE 55 17.245 -5.359 7.159 459 2HD1 ILE 55 HD12 ILE 55 16.261 -5.918 5.806 460 3HD1 ILE 55 HD13 ILE 55 15.493 -5.159 7.200 461 H ASN 56 HN ASN 56 12.073 -2.150 6.930 462 HA ASN 56 HA ASN 56 13.436 -0.947 9.118 463 1HB ASN 56 HB2 ASN 56 12.920 1.428 8.378 464 2HB ASN 56 HB1 ASN 56 14.270 0.643 7.572 465 1HD2 ASN 56 HD21 ASN 56 14.110 0.109 5.424 466 2HD2 ASN 56 HD22 ASN 56 12.860 0.712 4.399 467 H TYR 57 HN TYR 57 11.989 -1.265 10.617 468 HA TYR 57 HA TYR 57 9.224 -0.425 10.193 469 1HB TYR 57 HB2 TYR 57 10.011 -3.179 11.194 470 2HB TYR 57 HB1 TYR 57 8.374 -2.541 11.166 471 HD1 TYR 57 HD1 TYR 57 11.144 -3.802 9.093 472 HD2 TYR 57 HD2 TYR 57 7.104 -2.461 9.124 473 HE1 TYR 57 HE1 TYR 57 10.844 -4.683 6.814 474 HE2 TYR 57 HE2 TYR 57 6.788 -3.343 6.852 475 HH TYR 57 HH TYR 57 8.972 -5.454 5.377 476 H THR 58 HN THR 58 8.020 -0.685 12.395 477 HA THR 58 HA THR 58 9.389 0.725 14.405 478 HB THR 58 HB THR 58 7.038 -0.987 15.046 479 HG1 THR 58 HG1 THR 58 5.702 0.220 13.867 480 1HG2 THR 58 HG21 THR 58 6.393 0.971 16.372 481 2HG2 THR 58 HG22 THR 58 7.802 1.844 15.770 482 3HG2 THR 58 HG23 THR 58 8.016 0.423 16.793 483 H GLU 59 HN GLU 59 10.765 0.053 15.943 484 HA GLU 59 HA GLU 59 11.547 -2.631 16.164 485 1HB GLU 59 HB2 GLU 59 12.701 -1.979 18.240 486 2HB GLU 59 HB1 GLU 59 13.018 -0.866 16.929 487 1HG GLU 59 HG2 GLU 59 12.731 0.547 18.708 488 2HG GLU 59 HG1 GLU 59 11.127 0.544 17.982 489 H SER 60 HN SER 60 9.052 -0.785 17.751 490 HA SER 60 HA SER 60 8.265 -2.647 19.681 491 1HB SER 60 HB2 SER 60 6.410 -0.838 18.125 492 2HB SER 60 HB1 SER 60 6.181 -1.460 19.759 493 HG SER 60 HG SER 60 8.479 -0.197 19.817 494 H GLU 61 HN GLU 61 7.526 -2.351 16.223 495 HA GLU 61 HA GLU 61 5.651 -4.555 16.319 496 1HB GLU 61 HB2 GLU 61 6.725 -2.799 14.162 497 2HB GLU 61 HB1 GLU 61 6.070 -4.361 13.700 498 1HG GLU 61 HG2 GLU 61 4.312 -2.832 13.463 499 2HG GLU 61 HG1 GLU 61 3.978 -3.718 14.948 500 H LEU 62 HN LEU 62 9.033 -4.106 15.693 501 HA LEU 62 HA LEU 62 9.414 -6.719 14.559 502 1HB LEU 62 HB2 LEU 62 11.386 -4.653 15.537 503 2HB LEU 62 HB1 LEU 62 11.832 -6.145 14.724 504 HG LEU 62 HG LEU 62 10.087 -4.007 13.490 505 1HD1 LEU 62 HD11 LEU 62 12.051 -3.458 12.114 506 2HD1 LEU 62 HD12 LEU 62 13.027 -4.552 13.100 507 3HD1 LEU 62 HD13 LEU 62 12.310 -3.113 13.827 508 1HD2 LEU 62 HD21 LEU 62 11.435 -6.431 12.305 509 2HD2 LEU 62 HD22 LEU 62 10.521 -5.216 11.411 510 3HD2 LEU 62 HD23 LEU 62 9.705 -6.237 12.595 511 H LYS 63 HN LYS 63 9.359 -5.360 17.725 512 HA LYS 63 HA LYS 63 10.693 -7.434 19.126 513 1HB LYS 63 HB2 LYS 63 8.569 -5.447 19.936 514 2HB LYS 63 HB1 LYS 63 9.222 -6.623 21.064 515 1HG LYS 63 HG2 LYS 63 10.913 -4.628 19.581 516 2HG LYS 63 HG1 LYS 63 10.224 -4.331 21.175 517 1HD LYS 63 HD2 LYS 63 11.455 -6.209 22.089 518 2HD LYS 63 HD1 LYS 63 12.081 -6.607 20.487 519 1HE LYS 63 HE2 LYS 63 13.721 -5.389 21.869 520 2HE LYS 63 HE1 LYS 63 13.294 -4.518 20.399 521 1HZ LYS 63 HZ1 LYS 63 13.402 -3.101 22.398 522 2HZ LYS 63 HZ2 LYS 63 12.111 -3.972 23.069 523 3HZ LYS 63 HZ3 LYS 63 11.882 -3.071 21.651 524 H GLY 64 HN GLY 64 7.475 -7.041 17.842 525 1HA GLY 64 HA2 GLY 64 6.743 -9.707 18.875 526 2HA GLY 64 HA1 GLY 64 5.590 -8.461 18.413 527 H MET 65 HN MET 65 8.415 -9.055 16.507 528 HA MET 65 HA MET 65 6.686 -10.056 14.354 529 1HB MET 65 HB2 MET 65 8.042 -7.918 14.050 530 2HB MET 65 HB1 MET 65 9.476 -8.935 14.066 531 1HG MET 65 HG2 MET 65 8.840 -8.444 11.800 532 2HG MET 65 HG1 MET 65 8.617 -10.161 12.130 533 1HE MET 65 HE1 MET 65 6.304 -7.156 13.229 534 2HE MET 65 HE2 MET 65 5.149 -7.112 11.897 535 3HE MET 65 HE3 MET 65 6.840 -6.692 11.616 536 H ASN 66 HN ASN 66 7.111 -11.985 13.377 537 HA ASN 66 HA ASN 66 8.424 -13.884 15.034 538 1HB ASN 66 HB2 ASN 66 6.988 -14.064 12.405 539 2HB ASN 66 HB1 ASN 66 7.813 -15.460 13.082 540 1HD2 ASN 66 HD21 ASN 66 5.925 -16.597 13.319 541 2HD2 ASN 66 HD22 ASN 66 4.757 -16.222 14.538 542 H LYS 67 HN LYS 67 9.751 -15.633 14.075 543 HA LYS 67 HA LYS 67 12.308 -14.748 13.483 544 1HB LYS 67 HB2 LYS 67 11.917 -16.873 14.515 545 2HB LYS 67 HB1 LYS 67 10.956 -17.427 13.160 546 1HG LYS 67 HG2 LYS 67 13.789 -16.755 12.615 547 2HG LYS 67 HG1 LYS 67 13.464 -18.202 13.573 548 1HD LYS 67 HD2 LYS 67 11.678 -18.578 11.613 549 2HD LYS 67 HD1 LYS 67 12.869 -17.628 10.724 550 1HE LYS 67 HE2 LYS 67 13.382 -20.193 12.228 551 2HE LYS 67 HE1 LYS 67 13.304 -20.009 10.478 552 1HZ LYS 67 HZ1 LYS 67 15.355 -18.924 12.325 553 2HZ LYS 67 HZ2 LYS 67 15.214 -18.427 10.709 554 3HZ LYS 67 HZ3 LYS 67 15.571 -20.048 11.069 555 H ALA 68 HN ALA 68 10.042 -16.380 11.251 556 HA ALA 68 HA ALA 68 11.771 -16.145 9.010 557 1HB ALA 68 HB1 ALA 68 10.052 -17.878 9.183 558 2HB ALA 68 HB2 ALA 68 9.873 -16.935 7.703 559 3HB ALA 68 HB3 ALA 68 8.797 -16.644 9.070 560 H GLU 69 HN GLU 69 9.423 -14.047 10.425 561 HA GLU 69 HA GLU 69 8.894 -12.385 8.209 562 1HB GLU 69 HB2 GLU 69 8.972 -11.538 11.106 563 2HB GLU 69 HB1 GLU 69 8.051 -10.798 9.804 564 1HG GLU 69 HG2 GLU 69 7.606 -13.547 10.938 565 2HG GLU 69 HG1 GLU 69 6.638 -12.116 11.279 566 H HIS 70 HN HIS 70 11.150 -11.951 10.941 567 HA HIS 70 HA HIS 70 12.492 -9.703 10.051 568 1HB HIS 70 HB2 HIS 70 13.382 -12.053 11.704 569 2HB HIS 70 HB1 HIS 70 14.503 -10.761 11.299 570 HD1 HIS 70 HD1 HIS 70 14.355 -8.631 12.631 571 HD2 HIS 70 HD2 HIS 70 11.232 -11.255 13.436 572 HE1 HIS 70 HE1 HIS 70 13.205 -7.708 14.657 573 HE2 HIS 70 HE2 HIS 70 11.375 -9.356 15.191 574 H GLU 71 HN GLU 71 13.002 -13.084 9.215 575 HA GLU 71 HA GLU 71 15.424 -12.670 7.816 576 1HB GLU 71 HB2 GLU 71 13.430 -14.930 7.638 577 2HB GLU 71 HB1 GLU 71 15.052 -14.954 6.951 578 1HG GLU 71 HG2 GLU 71 16.028 -14.720 9.139 579 2HG GLU 71 HG1 GLU 71 14.432 -14.574 9.866 580 H SER 72 HN SER 72 12.067 -13.063 6.653 581 HA SER 72 HA SER 72 12.702 -12.844 3.926 582 1HB SER 72 HB2 SER 72 10.246 -12.133 3.717 583 2HB SER 72 HB1 SER 72 10.565 -13.712 4.432 584 HG SER 72 HG SER 72 9.963 -12.987 6.362 585 H ILE 73 HN ILE 73 11.992 -10.398 6.360 586 HA ILE 73 HA ILE 73 11.870 -8.114 4.789 587 HB ILE 73 HB ILE 73 13.078 -8.483 7.537 588 1HG1 ILE 73 HG12 ILE 73 10.397 -7.350 6.710 589 2HG1 ILE 73 HG11 ILE 73 10.647 -8.998 7.279 590 1HG2 ILE 73 HG21 ILE 73 12.865 -6.064 7.813 591 2HG2 ILE 73 HG22 ILE 73 12.365 -5.917 6.130 592 3HG2 ILE 73 HG23 ILE 73 13.991 -6.475 6.520 593 1HD1 ILE 73 HD11 ILE 73 11.154 -6.485 8.858 594 2HD1 ILE 73 HD12 ILE 73 11.422 -8.130 9.431 595 3HD1 ILE 73 HD13 ILE 73 9.788 -7.582 9.051 596 H ILE 74 HN ILE 74 14.793 -9.413 6.397 597 HA ILE 74 HA ILE 74 16.459 -7.481 5.131 598 HB ILE 74 HB ILE 74 17.539 -9.983 6.403 599 1HG1 ILE 74 HG12 ILE 74 16.523 -7.502 7.826 600 2HG1 ILE 74 HG11 ILE 74 15.782 -9.097 7.903 601 1HG2 ILE 74 HG21 ILE 74 18.457 -7.111 6.253 602 2HG2 ILE 74 HG22 ILE 74 19.118 -8.470 5.339 603 3HG2 ILE 74 HG23 ILE 74 19.315 -8.408 7.091 604 1HD1 ILE 74 HD11 ILE 74 18.525 -8.381 8.915 605 2HD1 ILE 74 HD12 ILE 74 17.769 -9.971 9.009 606 3HD1 ILE 74 HD13 ILE 74 17.079 -8.613 9.898 607 H SER 75 HN SER 75 15.372 -10.648 4.256 608 HA SER 75 HA SER 75 17.341 -11.219 2.297 609 1HB SER 75 HB2 SER 75 14.442 -12.096 2.433 610 2HB SER 75 HB1 SER 75 15.664 -12.787 1.366 611 HG SER 75 HG SER 75 15.621 -12.832 4.204 612 H ASN 76 HN ASN 76 14.363 -9.348 2.285 613 HA ASN 76 HA ASN 76 14.365 -8.854 -0.529 614 1HB ASN 76 HB2 ASN 76 12.868 -7.754 1.809 615 2HB ASN 76 HB1 ASN 76 12.874 -6.831 0.310 616 1HD2 ASN 76 HD21 ASN 76 11.818 -9.741 1.886 617 2HD2 ASN 76 HD22 ASN 76 10.710 -10.234 0.649 618 H LEU 77 HN LEU 77 15.806 -7.344 2.259 619 HA LEU 77 HA LEU 77 16.766 -4.995 1.028 620 1HB LEU 77 HB2 LEU 77 16.846 -5.275 3.434 621 2HB LEU 77 HB1 LEU 77 17.910 -6.659 3.274 622 HG LEU 77 HG LEU 77 19.613 -5.091 2.255 623 1HD1 LEU 77 HD11 LEU 77 18.128 -3.290 1.628 624 2HD1 LEU 77 HD12 LEU 77 19.354 -2.708 2.756 625 3HD1 LEU 77 HD13 LEU 77 17.712 -3.016 3.319 626 1HD2 LEU 77 HD21 LEU 77 19.798 -5.893 4.547 627 2HD2 LEU 77 HD22 LEU 77 18.754 -4.584 5.102 628 3HD2 LEU 77 HD23 LEU 77 20.340 -4.219 4.422 629 H GLY 78 HN GLY 78 17.904 -8.302 1.053 630 1HA GLY 78 HA2 GLY 78 19.218 -9.143 -0.776 631 2HA GLY 78 HA1 GLY 78 19.952 -7.552 -0.925 632 H ARG 79 HN ARG 79 19.531 -8.736 2.257 633 HA ARG 79 HA ARG 79 22.381 -9.477 2.375 634 1HB ARG 79 HB2 ARG 79 20.896 -7.592 3.913 635 2HB ARG 79 HB1 ARG 79 21.325 -8.925 4.976 636 1HG ARG 79 HG2 ARG 79 23.179 -7.674 5.263 637 2HG ARG 79 HG1 ARG 79 23.697 -8.546 3.819 638 1HD ARG 79 HD2 ARG 79 22.402 -5.821 3.850 639 2HD ARG 79 HD1 ARG 79 24.128 -6.126 3.680 640 HE ARG 79 HE ARG 79 23.045 -7.552 1.646 641 1HH1 ARG 79 HH11 ARG 79 22.848 -4.207 2.668 642 2HH1 ARG 79 HH12 ARG 79 22.489 -3.606 1.070 643 1HH2 ARG 79 HH21 ARG 79 22.635 -6.757 -0.466 644 2HH2 ARG 79 HH22 ARG 79 22.371 -5.057 -0.701 645 H ASN 80 HN ASN 80 22.915 -11.170 3.945 646 HA ASN 80 HA ASN 80 20.786 -13.171 4.086 647 1HB ASN 80 HB2 ASN 80 23.771 -13.366 4.530 648 2HB ASN 80 HB1 ASN 80 22.661 -14.705 4.802 649 1HD2 ASN 80 HD21 ASN 80 24.863 -14.529 2.939 650 2HD2 ASN 80 HD22 ASN 80 24.187 -14.781 1.366 651 HA PRO 81 HA PRO 81 20.469 -11.930 8.408 652 1HB PRO 81 HB2 PRO 81 17.953 -12.745 8.788 653 2HB PRO 81 HB1 PRO 81 18.314 -11.293 7.845 654 1HG PRO 81 HG2 PRO 81 17.591 -14.035 6.909 655 2HG PRO 81 HG1 PRO 81 17.077 -12.460 6.276 656 1HD PRO 81 HD2 PRO 81 19.097 -14.027 5.198 657 2HD PRO 81 HD1 PRO 81 18.916 -12.282 4.937 658 H SER 82 HN SER 82 21.162 -14.744 7.101 659 HA SER 82 HA SER 82 20.220 -16.610 9.059 660 1HB SER 82 HB2 SER 82 21.981 -18.084 7.828 661 2HB SER 82 HB1 SER 82 20.543 -17.560 6.948 662 HG SER 82 HG SER 82 22.976 -17.198 6.188 663 H ASP 83 HN ASP 83 23.018 -14.587 8.669 664 HA ASP 83 HA ASP 83 24.663 -15.986 10.559 665 1HB ASP 83 HB2 ASP 83 25.605 -14.509 8.784 666 2HB ASP 83 HB1 ASP 83 24.899 -13.122 9.610 667 H PHE 84 HN PHE 84 22.432 -13.287 10.636 668 HA PHE 84 HA PHE 84 22.948 -12.695 13.416 669 1HB PHE 84 HB2 PHE 84 20.694 -11.702 11.649 670 2HB PHE 84 HB1 PHE 84 21.213 -11.008 13.181 671 HD1 PHE 84 HD1 PHE 84 23.490 -9.938 13.310 672 HD2 PHE 84 HD2 PHE 84 21.680 -11.056 9.626 673 HE1 PHE 84 HE1 PHE 84 25.013 -8.426 12.113 674 HE2 PHE 84 HE2 PHE 84 23.205 -9.548 8.417 675 HZ PHE 84 HZ PHE 84 24.875 -8.230 9.661 676 H LYS 85 HN LYS 85 22.202 -14.031 14.917 677 HA LYS 85 HA LYS 85 19.913 -15.735 14.210 678 1HB LYS 85 HB2 LYS 85 22.192 -16.187 16.138 679 2HB LYS 85 HB1 LYS 85 20.837 -17.288 15.924 680 1HG LYS 85 HG2 LYS 85 21.468 -17.739 13.663 681 2HG LYS 85 HG1 LYS 85 22.704 -16.481 13.708 682 1HD LYS 85 HD2 LYS 85 22.712 -18.916 15.483 683 2HD LYS 85 HD1 LYS 85 23.580 -18.813 13.950 684 1HE LYS 85 HE2 LYS 85 23.981 -16.950 16.289 685 2HE LYS 85 HE1 LYS 85 25.002 -18.339 15.923 686 1HZ LYS 85 HZ1 LYS 85 25.536 -17.316 13.783 687 2HZ LYS 85 HZ2 LYS 85 25.994 -16.327 15.079 688 3HZ LYS 85 HZ3 LYS 85 24.603 -15.958 14.182 689 H ASN 86 HN ASN 86 21.152 -13.496 16.573 690 HA ASN 86 HA ASN 86 18.970 -14.094 18.407 691 1HB ASN 86 HB2 ASN 86 21.288 -12.162 18.595 692 2HB ASN 86 HB1 ASN 86 20.040 -12.320 19.830 693 1HD2 ASN 86 HD21 ASN 86 22.900 -12.816 20.041 694 2HD2 ASN 86 HD22 ASN 86 23.062 -14.475 20.522 695 H ALA 87 HN ALA 87 17.487 -12.500 19.135 696 HA ALA 87 HA ALA 87 16.237 -11.115 17.032 697 1HB ALA 87 HB1 ALA 87 15.038 -11.927 19.009 698 2HB ALA 87 HB2 ALA 87 14.749 -10.210 18.732 699 3HB ALA 87 HB3 ALA 87 15.862 -10.723 20.000 700 H ASP 88 HN ASP 88 18.386 -10.054 19.595 701 HA ASP 88 HA ASP 88 18.201 -7.304 19.324 702 1HB ASP 88 HB2 ASP 88 19.435 -8.368 21.141 703 2HB ASP 88 HB1 ASP 88 20.635 -8.967 20.000 704 H GLU 89 HN GLU 89 20.391 -9.540 17.651 705 HA GLU 89 HA GLU 89 21.790 -7.688 16.104 706 1HB GLU 89 HB2 GLU 89 21.003 -10.498 15.314 707 2HB GLU 89 HB1 GLU 89 22.309 -9.553 14.618 708 1HG GLU 89 HG2 GLU 89 23.478 -9.600 16.768 709 2HG GLU 89 HG1 GLU 89 22.165 -10.564 17.447 710 H ARG 90 HN ARG 90 18.870 -9.531 15.357 711 HA ARG 90 HA ARG 90 18.638 -8.599 12.701 712 1HB ARG 90 HB2 ARG 90 16.625 -9.905 14.530 713 2HB ARG 90 HB1 ARG 90 16.344 -9.593 12.821 714 1HG ARG 90 HG2 ARG 90 18.247 -11.011 12.249 715 2HG ARG 90 HG1 ARG 90 18.518 -11.332 13.962 716 1HD ARG 90 HD2 ARG 90 16.406 -12.450 14.146 717 2HD ARG 90 HD1 ARG 90 15.961 -11.975 12.506 718 HE ARG 90 HE ARG 90 18.393 -13.508 12.622 719 1HH1 ARG 90 HH11 ARG 90 14.901 -13.792 12.583 720 2HH1 ARG 90 HH12 ARG 90 14.914 -15.326 11.784 721 1HH2 ARG 90 HH21 ARG 90 18.401 -15.524 11.574 722 2HH2 ARG 90 HH22 ARG 90 16.893 -16.309 11.194 723 H ILE 91 HN ILE 91 17.160 -7.512 15.733 724 HA ILE 91 HA ILE 91 15.381 -5.684 14.462 725 HB ILE 91 HB ILE 91 16.364 -5.765 17.321 726 1HG1 ILE 91 HG12 ILE 91 13.763 -6.663 16.056 727 2HG1 ILE 91 HG11 ILE 91 15.051 -7.729 16.604 728 1HG2 ILE 91 HG21 ILE 91 15.638 -3.512 16.741 729 2HG2 ILE 91 HG22 ILE 91 14.481 -4.275 17.831 730 3HG2 ILE 91 HG23 ILE 91 14.119 -4.149 16.110 731 1HD1 ILE 91 HD11 ILE 91 13.403 -5.909 18.339 732 2HD1 ILE 91 HD12 ILE 91 14.699 -6.969 18.895 733 3HD1 ILE 91 HD13 ILE 91 13.232 -7.658 18.198 734 H ALA 92 HN ALA 92 18.577 -5.346 15.970 735 HA ALA 92 HA ALA 92 18.775 -2.552 15.742 736 1HB ALA 92 HB1 ALA 92 21.017 -4.571 15.713 737 2HB ALA 92 HB2 ALA 92 20.257 -3.904 17.158 738 3HB ALA 92 HB3 ALA 92 21.163 -2.851 16.071 739 H TYR 93 HN TYR 93 19.719 -5.144 13.516 740 HA TYR 93 HA TYR 93 21.023 -3.489 11.643 741 1HB TYR 93 HB2 TYR 93 21.106 -6.049 11.819 742 2HB TYR 93 HB1 TYR 93 19.597 -6.041 10.909 743 HD1 TYR 93 HD2 TYR 93 23.178 -5.185 10.781 744 HD2 TYR 93 HD1 TYR 93 19.581 -5.599 8.548 745 HE1 TYR 93 HE2 TYR 93 24.463 -5.014 8.692 746 HE2 TYR 93 HE1 TYR 93 20.854 -5.431 6.454 747 HH TYR 93 HH TYR 93 23.070 -4.433 5.717 748 H ILE 94 HN ILE 94 17.656 -4.563 11.914 749 HA ILE 94 HA ILE 94 16.782 -3.363 9.496 750 HB ILE 94 HB ILE 94 15.218 -4.104 11.980 751 1HG1 ILE 94 HG12 ILE 94 15.534 -5.528 9.324 752 2HG1 ILE 94 HG11 ILE 94 16.318 -5.997 10.827 753 1HG2 ILE 94 HG21 ILE 94 14.208 -3.365 9.235 754 2HG2 ILE 94 HG22 ILE 94 14.027 -2.409 10.705 755 3HG2 ILE 94 HG23 ILE 94 13.221 -3.971 10.567 756 1HD1 ILE 94 HD11 ILE 94 14.397 -7.412 10.368 757 2HD1 ILE 94 HD12 ILE 94 13.351 -5.993 10.303 758 3HD1 ILE 94 HD13 ILE 94 14.124 -6.448 11.820 759 H LEU 95 HN LEU 95 17.123 -2.217 12.802 760 HA LEU 95 HA LEU 95 15.744 0.233 12.467 761 1HB LEU 95 HB2 LEU 95 17.839 -0.651 14.437 762 2HB LEU 95 HB1 LEU 95 17.107 0.940 14.493 763 HG LEU 95 HG LEU 95 15.663 -1.692 14.806 764 1HD1 LEU 95 HD11 LEU 95 16.230 0.516 16.782 765 2HD1 LEU 95 HD12 LEU 95 17.016 -1.062 16.746 766 3HD1 LEU 95 HD13 LEU 95 15.294 -0.945 17.097 767 1HD2 LEU 95 HD21 LEU 95 14.554 1.099 15.047 768 2HD2 LEU 95 HD22 LEU 95 13.670 -0.422 15.165 769 3HD2 LEU 95 HD23 LEU 95 14.360 0.078 13.625 770 H LYS 96 HN LYS 96 18.955 -0.780 11.604 771 HA LYS 96 HA LYS 96 20.108 1.773 11.340 772 1HB LYS 96 HB2 LYS 96 20.729 -0.940 10.439 773 2HB LYS 96 HB1 LYS 96 21.294 0.312 9.340 774 1HG LYS 96 HG2 LYS 96 21.864 0.828 12.171 775 2HG LYS 96 HG1 LYS 96 22.663 -0.594 11.501 776 1HD LYS 96 HD2 LYS 96 24.062 1.405 11.282 777 2HD LYS 96 HD1 LYS 96 23.609 0.758 9.707 778 1HE LYS 96 HE2 LYS 96 23.442 3.162 9.662 779 2HE LYS 96 HE1 LYS 96 21.828 2.464 9.558 780 1HZ LYS 96 HZ1 LYS 96 21.490 2.942 11.881 781 2HZ LYS 96 HZ2 LYS 96 21.930 4.363 11.075 782 3HZ LYS 96 HZ3 LYS 96 23.064 3.540 12.038 783 H GLN 97 HN GLN 97 17.859 0.035 9.299 784 HA GLN 97 HA GLN 97 18.308 1.885 7.106 785 1HB GLN 97 HB2 GLN 97 16.654 -0.588 7.420 786 2HB GLN 97 HB1 GLN 97 16.334 0.522 6.096 787 1HG GLN 97 HG2 GLN 97 17.781 -1.295 5.394 788 2HG GLN 97 HG1 GLN 97 18.615 0.255 5.294 789 1HE2 GLN 97 HE21 GLN 97 18.374 -2.763 6.992 790 2HE2 GLN 97 HE22 GLN 97 19.878 -2.647 7.832 791 H ILE 98 HN ILE 98 16.018 1.434 9.717 792 HA ILE 98 HA ILE 98 14.094 3.290 8.702 793 HB ILE 98 HB ILE 98 13.756 1.629 10.659 794 1HG1 ILE 98 HG12 ILE 98 12.171 3.234 11.816 795 2HG1 ILE 98 HG11 ILE 98 12.818 4.496 10.772 796 1HG2 ILE 98 HG21 ILE 98 15.667 2.318 12.007 797 2HG2 ILE 98 HG22 ILE 98 14.156 2.513 12.894 798 3HG2 ILE 98 HG23 ILE 98 14.957 3.923 12.201 799 1HD1 ILE 98 HD11 ILE 98 11.412 1.998 9.862 800 2HD1 ILE 98 HD12 ILE 98 12.067 3.254 8.811 801 3HD1 ILE 98 HD13 ILE 98 10.732 3.625 9.904 802 H ASP 99 HN ASP 99 17.152 3.484 10.209 803 HA ASP 99 HA ASP 99 17.080 6.304 10.795 804 1HB ASP 99 HB2 ASP 99 18.531 5.053 12.168 805 2HB ASP 99 HB1 ASP 99 19.192 4.157 10.809 806 H ASN 100 HN ASN 100 17.827 4.270 8.099 807 HA ASN 100 HA ASN 100 19.333 6.254 6.665 808 1HB ASN 100 HB2 ASN 100 18.482 3.474 6.157 809 2HB ASN 100 HB1 ASN 100 18.635 4.492 4.727 810 1HD2 ASN 100 HD21 ASN 100 20.311 2.993 7.372 811 2HD2 ASN 100 HD22 ASN 100 21.917 3.277 6.779 812 H LYS 101 HN LYS 101 15.993 5.463 7.023 813 HA LYS 101 HA LYS 101 15.196 7.158 4.816 814 1HB LYS 101 HB2 LYS 101 13.686 5.747 7.003 815 2HB LYS 101 HB1 LYS 101 12.904 6.985 6.034 816 1HG LYS 101 HG2 LYS 101 13.467 5.673 4.002 817 2HG LYS 101 HG1 LYS 101 14.089 4.396 5.053 818 1HD LYS 101 HD2 LYS 101 11.926 4.066 6.038 819 2HD LYS 101 HD1 LYS 101 11.278 5.485 5.215 820 1HE LYS 101 HE2 LYS 101 11.627 4.366 3.052 821 2HE LYS 101 HE1 LYS 101 12.231 2.943 3.900 822 1HZ LYS 101 HZ1 LYS 101 9.504 4.078 4.248 823 2HZ LYS 101 HZ2 LYS 101 10.096 2.644 4.930 824 3HZ LYS 101 HZ3 LYS 101 9.873 2.754 3.252 825 H GLY 102 HN GLY 102 16.393 9.030 5.357 826 1HA GLY 102 HA2 GLY 102 15.766 10.340 7.897 827 2HA GLY 102 HA1 GLY 102 17.022 10.818 6.764 828 H GLU 103 HN GLU 103 15.450 10.882 4.421 829 HA GLU 103 HA GLU 103 13.491 12.963 5.043 830 1HB GLU 103 HB2 GLU 103 14.406 14.228 3.002 831 2HB GLU 103 HB1 GLU 103 15.289 14.336 4.514 832 1HG GLU 103 HG2 GLU 103 16.885 14.094 2.798 833 2HG GLU 103 HG1 GLU 103 16.819 12.554 3.647 834 H LEU 104 HN LEU 104 11.952 13.374 3.447 835 HA LEU 104 HA LEU 104 11.780 11.402 1.274 836 1HB LEU 104 HB2 LEU 104 9.513 12.508 2.946 837 2HB LEU 104 HB1 LEU 104 9.300 11.541 1.501 838 HG LEU 104 HG LEU 104 10.648 10.583 4.031 839 1HD1 LEU 104 HD11 LEU 104 8.254 10.960 4.352 840 2HD1 LEU 104 HD12 LEU 104 8.640 9.239 4.359 841 3HD1 LEU 104 HD13 LEU 104 7.905 9.975 2.933 842 1HD2 LEU 104 HD21 LEU 104 11.484 9.494 2.011 843 2HD2 LEU 104 HD22 LEU 104 9.832 9.109 1.528 844 3HD2 LEU 104 HD23 LEU 104 10.518 8.383 2.982 845 H GLU 105 HN GLU 105 10.316 14.437 2.414 846 HA GLU 105 HA GLU 105 10.395 15.475 -0.298 847 1HB GLU 105 HB2 GLU 105 9.065 16.374 2.234 848 2HB GLU 105 HB1 GLU 105 9.269 17.492 0.891 849 1HG GLU 105 HG2 GLU 105 7.958 14.810 0.578 850 2HG GLU 105 HG1 GLU 105 7.067 16.264 1.024 851 H HIS 106 HN HIS 106 12.774 15.361 -0.144 852 HA HIS 106 HA HIS 106 14.055 17.579 1.236 853 1HB HIS 106 HB2 HIS 106 15.169 15.349 0.945 854 2HB HIS 106 HB1 HIS 106 15.184 15.622 -0.791 855 HD1 HIS 106 HD1 HIS 106 16.665 17.070 2.395 856 HD2 HIS 106 HD2 HIS 106 17.367 16.973 -1.709 857 HE1 HIS 106 HE1 HIS 106 18.919 18.128 2.061 858 HE2 HIS 106 HE2 HIS 106 19.415 17.844 -0.389 859 H HIS 107 HN HIS 107 12.038 17.453 -1.160 860 HA HIS 107 HA HIS 107 13.470 18.931 -3.214 861 1HB HIS 107 HB2 HIS 107 10.523 18.273 -3.192 862 2HB HIS 107 HB1 HIS 107 11.555 18.586 -4.583 863 HD1 HIS 107 HD1 HIS 107 10.062 15.898 -2.691 864 HD2 HIS 107 HD2 HIS 107 13.521 16.378 -4.971 865 HE1 HIS 107 HE1 HIS 107 10.857 13.571 -3.230 866 HE2 HIS 107 HE2 HIS 107 12.977 13.877 -4.558 867 H HIS 108 HN HIS 108 12.932 21.060 -3.810 868 HA HIS 108 HA HIS 108 11.911 22.673 -1.665 869 1HB HIS 108 HB2 HIS 108 12.349 24.596 -3.163 870 2HB HIS 108 HB1 HIS 108 13.751 23.558 -2.958 871 HD1 HIS 108 HD1 HIS 108 14.720 22.461 -5.021 872 HD2 HIS 108 HD2 HIS 108 11.187 24.532 -5.769 873 HE1 HIS 108 HE1 HIS 108 14.523 22.597 -7.525 874 HE2 HIS 108 HE2 HIS 108 12.492 24.020 -7.945 875 H HIS 109 HN HIS 109 10.383 24.572 -2.443 876 HA HIS 109 HA HIS 109 8.245 25.180 -2.881 877 1HB HIS 109 HB2 HIS 109 8.818 24.541 -5.222 878 2HB HIS 109 HB1 HIS 109 8.225 22.917 -4.896 879 HD1 HIS 109 HD1 HIS 109 6.236 22.873 -6.428 880 HD2 HIS 109 HD2 HIS 109 6.274 26.204 -3.937 881 HE1 HIS 109 HE1 HIS 109 4.002 23.983 -6.739 882 HE2 HIS 109 HE2 HIS 109 3.964 25.831 -5.030 883 H HIS 110 HN HIS 110 9.115 22.638 -1.254 884 HA HIS 110 HA HIS 110 6.483 22.225 -0.138 885 1HB HIS 110 HB2 HIS 110 7.569 20.303 -1.937 886 2HB HIS 110 HB1 HIS 110 7.648 19.615 -0.318 887 HD1 HIS 110 HD1 HIS 110 5.819 17.914 -1.268 888 HD2 HIS 110 HD2 HIS 110 4.587 21.866 -0.820 889 HE1 HIS 110 HE1 HIS 110 3.307 17.859 -1.363 890 HE2 HIS 110 HE2 HIS 110 2.584 20.224 -0.880 891 H HIS 111 HN HIS 111 7.988 23.602 1.214 892 HA HIS 111 HA HIS 111 9.217 21.961 3.268 893 1HB HIS 111 HB2 HIS 111 11.031 22.381 1.605 894 2HB HIS 111 HB1 HIS 111 10.794 24.110 1.826 895 HD1 HIS 111 HD1 HIS 111 11.789 21.063 3.850 896 HD2 HIS 111 HD2 HIS 111 12.293 25.191 3.821 897 HE1 HIS 111 HE1 HIS 111 13.432 21.559 5.689 898 HE2 HIS 111 HE2 HIS 111 13.863 24.038 5.529 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -5.283 -1.436 0.019 2 2H MET 1 HT2 MET 1 -4.983 -1.912 1.618 3 3H MET 1 HT3 MET 1 -4.318 -0.470 1.026 4 HA MET 1 HA MET 1 -6.172 0.044 2.423 5 1HB MET 1 HB2 MET 1 -6.772 0.403 -0.524 6 2HB MET 1 HB1 MET 1 -7.566 1.286 0.774 7 1HG MET 1 HG2 MET 1 -5.576 2.419 1.345 8 2HG MET 1 HG1 MET 1 -4.597 1.354 0.336 9 1HE MET 1 HE1 MET 1 -7.310 4.206 0.360 10 2HE MET 1 HE2 MET 1 -8.089 2.936 -0.584 11 3HE MET 1 HE3 MET 1 -7.590 4.435 -1.366 12 H PHE 2 HN PHE 2 -7.741 -0.984 3.470 13 HA PHE 2 HA PHE 2 -9.469 -2.849 2.003 14 1HB PHE 2 HB2 PHE 2 -9.213 -2.328 4.975 15 2HB PHE 2 HB1 PHE 2 -10.288 -3.516 4.248 16 HD1 PHE 2 HD2 PHE 2 -9.226 -5.382 2.869 17 HD2 PHE 2 HD1 PHE 2 -7.023 -2.884 5.521 18 HE1 PHE 2 HE2 PHE 2 -7.430 -7.062 2.955 19 HE2 PHE 2 HE1 PHE 2 -5.223 -4.557 5.607 20 HZ PHE 2 HZ PHE 2 -5.424 -6.650 4.326 21 H THR 3 HN THR 3 -11.101 -1.802 1.017 22 HA THR 3 HA THR 3 -12.342 0.433 2.470 23 HB THR 3 HB THR 3 -12.149 0.003 -0.511 24 HG1 THR 3 HG1 THR 3 -10.618 1.622 -0.448 25 1HG2 THR 3 HG21 THR 3 -13.085 2.249 -0.711 26 2HG2 THR 3 HG22 THR 3 -13.290 2.322 1.040 27 3HG2 THR 3 HG23 THR 3 -14.211 1.155 0.090 28 H ALA 4 HN ALA 4 -14.412 0.345 2.951 29 HA ALA 4 HA ALA 4 -16.030 -1.824 1.785 30 1HB ALA 4 HB1 ALA 4 -17.333 -1.786 3.865 31 2HB ALA 4 HB2 ALA 4 -16.270 -0.531 4.504 32 3HB ALA 4 HB3 ALA 4 -15.633 -2.143 4.168 33 H LYS 5 HN LYS 5 -18.116 -1.352 1.124 34 HA LYS 5 HA LYS 5 -18.952 1.460 1.263 35 1HB LYS 5 HB2 LYS 5 -18.013 1.220 -0.933 36 2HB LYS 5 HB1 LYS 5 -18.868 -0.293 -1.195 37 1HG LYS 5 HG2 LYS 5 -20.978 0.853 -1.294 38 2HG LYS 5 HG1 LYS 5 -20.209 2.379 -0.854 39 1HD LYS 5 HD2 LYS 5 -20.683 2.222 -3.269 40 2HD LYS 5 HD1 LYS 5 -18.961 2.389 -2.931 41 1HE LYS 5 HE2 LYS 5 -18.601 0.052 -3.318 42 2HE LYS 5 HE1 LYS 5 -20.334 -0.240 -3.450 43 1HZ LYS 5 HZ1 LYS 5 -20.388 1.104 -5.440 44 2HZ LYS 5 HZ2 LYS 5 -19.266 -0.152 -5.618 45 3HZ LYS 5 HZ3 LYS 5 -18.727 1.427 -5.312 46 H LEU 6 HN LEU 6 -20.989 1.709 1.900 47 HA LEU 6 HA LEU 6 -22.607 -0.516 2.598 48 1HB LEU 6 HB2 LEU 6 -22.590 1.749 3.708 49 2HB LEU 6 HB1 LEU 6 -23.439 2.379 2.313 50 HG LEU 6 HG LEU 6 -24.833 1.877 4.373 51 1HD1 LEU 6 HD11 LEU 6 -25.838 2.231 2.184 52 2HD1 LEU 6 HD12 LEU 6 -26.714 1.003 3.097 53 3HD1 LEU 6 HD13 LEU 6 -25.621 0.524 1.799 54 1HD2 LEU 6 HD21 LEU 6 -25.535 -0.437 4.706 55 2HD2 LEU 6 HD22 LEU 6 -23.801 -0.250 4.973 56 3HD2 LEU 6 HD23 LEU 6 -24.391 -0.967 3.475 57 H ILE 7 HN ILE 7 -23.811 -1.716 1.274 58 HA ILE 7 HA ILE 7 -24.520 -0.574 -1.343 59 HB ILE 7 HB ILE 7 -24.599 -2.858 -2.202 60 1HG1 ILE 7 HG12 ILE 7 -23.652 -3.698 0.544 61 2HG1 ILE 7 HG11 ILE 7 -25.259 -3.997 -0.109 62 1HG2 ILE 7 HG21 ILE 7 -22.044 -2.240 -0.748 63 2HG2 ILE 7 HG22 ILE 7 -22.518 -1.625 -2.332 64 3HG2 ILE 7 HG23 ILE 7 -22.215 -3.348 -2.109 65 1HD1 ILE 7 HD11 ILE 7 -23.863 -5.977 -0.243 66 2HD1 ILE 7 HD12 ILE 7 -22.678 -5.093 -1.204 67 3HD1 ILE 7 HD13 ILE 7 -24.289 -5.398 -1.854 68 H LYS 8 HN LYS 8 -25.802 -2.010 1.534 69 HA LYS 8 HA LYS 8 -28.473 -1.988 0.303 70 1HB LYS 8 HB2 LYS 8 -27.351 -3.919 2.332 71 2HB LYS 8 HB1 LYS 8 -29.060 -3.815 1.938 72 1HG LYS 8 HG2 LYS 8 -28.573 -4.385 -0.382 73 2HG LYS 8 HG1 LYS 8 -26.852 -4.457 -0.006 74 1HD LYS 8 HD2 LYS 8 -27.267 -6.307 1.542 75 2HD LYS 8 HD1 LYS 8 -28.992 -6.231 1.172 76 1HE LYS 8 HE2 LYS 8 -28.525 -6.763 -1.163 77 2HE LYS 8 HE1 LYS 8 -26.796 -6.800 -0.817 78 1HZ LYS 8 HZ1 LYS 8 -28.831 -8.633 0.336 79 2HZ LYS 8 HZ2 LYS 8 -27.164 -8.673 0.660 80 3HZ LYS 8 HZ3 LYS 8 -27.731 -9.016 -0.898 81 H GLY 9 HN GLY 9 -29.132 -0.010 0.969 82 1HA GLY 9 HA2 GLY 9 -30.533 0.471 3.162 83 2HA GLY 9 HA1 GLY 9 -28.911 0.702 3.796 84 H LYS 10 HN LYS 10 -28.250 2.725 3.820 85 HA LYS 10 HA LYS 10 -28.305 4.482 1.640 86 1HB LYS 10 HB2 LYS 10 -30.756 4.575 2.282 87 2HB LYS 10 HB1 LYS 10 -30.255 5.261 3.823 88 1HG LYS 10 HG2 LYS 10 -29.079 7.057 2.447 89 2HG LYS 10 HG1 LYS 10 -30.013 6.452 1.081 90 1HD LYS 10 HD2 LYS 10 -31.137 7.527 3.668 91 2HD LYS 10 HD1 LYS 10 -31.097 8.377 2.127 92 1HE LYS 10 HE2 LYS 10 -33.247 7.586 2.130 93 2HE LYS 10 HE1 LYS 10 -32.418 6.282 1.282 94 1HZ LYS 10 HZ1 LYS 10 -32.451 4.939 3.201 95 2HZ LYS 10 HZ2 LYS 10 -34.007 5.606 3.096 96 3HZ LYS 10 HZ3 LYS 10 -32.887 6.231 4.207 97 H THR 11 HN THR 11 -28.730 4.630 5.157 98 HA THR 11 HA THR 11 -26.053 5.773 5.442 99 HB THR 11 HB THR 11 -27.128 7.318 7.234 100 HG1 THR 11 HG1 THR 11 -29.232 7.020 7.328 101 1HG2 THR 11 HG21 THR 11 -27.562 7.886 4.297 102 2HG2 THR 11 HG22 THR 11 -26.059 8.140 5.183 103 3HG2 THR 11 HG23 THR 11 -27.489 9.092 5.583 104 H TYR 12 HN TYR 12 -25.001 4.507 6.845 105 HA TYR 12 HA TYR 12 -26.451 3.567 9.218 106 1HB TYR 12 HB2 TYR 12 -26.413 1.688 7.630 107 2HB TYR 12 HB1 TYR 12 -24.660 1.822 7.508 108 HD1 TYR 12 HD2 TYR 12 -27.329 1.329 10.085 109 HD2 TYR 12 HD1 TYR 12 -23.354 0.468 8.854 110 HE1 TYR 12 HE2 TYR 12 -27.074 -0.203 11.991 111 HE2 TYR 12 HE1 TYR 12 -23.089 -1.066 10.754 112 HH TYR 12 HH TYR 12 -24.058 -1.417 12.983 113 H ASN 13 HN ASN 13 -25.345 3.756 11.061 114 HA ASN 13 HA ASN 13 -22.643 4.858 10.908 115 1HB ASN 13 HB2 ASN 13 -24.662 4.788 13.157 116 2HB ASN 13 HB1 ASN 13 -23.029 5.424 13.325 117 1HD2 ASN 13 HD21 ASN 13 -22.513 7.379 12.423 118 2HD2 ASN 13 HD22 ASN 13 -23.701 8.467 11.802 119 H VAL 14 HN VAL 14 -21.106 3.341 10.950 120 HA VAL 14 HA VAL 14 -21.377 1.089 12.801 121 HB VAL 14 HB VAL 14 -19.137 1.667 10.843 122 1HG1 VAL 14 HG11 VAL 14 -18.399 0.295 12.708 123 2HG1 VAL 14 HG12 VAL 14 -18.510 -0.684 11.245 124 3HG1 VAL 14 HG13 VAL 14 -19.767 -0.792 12.476 125 1HG2 VAL 14 HG21 VAL 14 -21.455 -0.248 10.615 126 2HG2 VAL 14 HG22 VAL 14 -20.104 -0.130 9.489 127 3HG2 VAL 14 HG23 VAL 14 -21.221 1.222 9.669 128 H MET 15 HN MET 15 -21.158 2.035 14.762 129 HA MET 15 HA MET 15 -20.195 2.954 16.580 130 1HB MET 15 HB2 MET 15 -17.849 1.990 15.044 131 2HB MET 15 HB1 MET 15 -17.529 3.121 16.348 132 1HG MET 15 HG2 MET 15 -18.726 1.649 17.906 133 2HG MET 15 HG1 MET 15 -19.006 0.509 16.593 134 1HE MET 15 HE1 MET 15 -15.444 -0.810 15.799 135 2HE MET 15 HE2 MET 15 -16.363 0.449 14.975 136 3HE MET 15 HE3 MET 15 -17.174 -1.019 15.523 137 H GLY 16 HN GLY 16 -17.716 4.244 14.416 138 1HA GLY 16 HA2 GLY 16 -18.803 6.928 15.009 139 2HA GLY 16 HA1 GLY 16 -17.085 6.574 15.104 140 H ILE 17 HN ILE 17 -18.624 4.930 12.567 141 HA ILE 17 HA ILE 17 -17.764 7.018 10.673 142 HB ILE 17 HB ILE 17 -17.669 4.035 10.164 143 1HG1 ILE 17 HG12 ILE 17 -15.099 4.720 10.011 144 2HG1 ILE 17 HG11 ILE 17 -15.609 5.949 11.164 145 1HG2 ILE 17 HG21 ILE 17 -16.673 6.373 8.545 146 2HG2 ILE 17 HG22 ILE 17 -18.061 5.354 8.166 147 3HG2 ILE 17 HG23 ILE 17 -16.434 4.672 8.144 148 1HD1 ILE 17 HD11 ILE 17 -14.729 4.037 12.319 149 2HD1 ILE 17 HD12 ILE 17 -15.862 2.973 11.488 150 3HD1 ILE 17 HD13 ILE 17 -16.460 4.175 12.633 151 H THR 18 HN THR 18 -19.344 7.791 9.428 152 HA THR 18 HA THR 18 -21.883 6.380 9.250 153 HB THR 18 HB THR 18 -21.100 9.074 8.108 154 HG1 THR 18 HG1 THR 18 -21.164 8.871 10.479 155 1HG2 THR 18 HG21 THR 18 -23.518 9.423 7.865 156 2HG2 THR 18 HG22 THR 18 -23.811 7.779 8.434 157 3HG2 THR 18 HG23 THR 18 -22.969 8.045 6.909 158 H PHE 19 HN PHE 19 -21.960 4.810 7.780 159 HA PHE 19 HA PHE 19 -20.592 5.123 5.220 160 1HB PHE 19 HB2 PHE 19 -22.053 2.806 6.491 161 2HB PHE 19 HB1 PHE 19 -21.468 2.772 4.831 162 HD1 PHE 19 HD1 PHE 19 -20.468 2.891 8.364 163 HD2 PHE 19 HD2 PHE 19 -19.165 2.477 4.339 164 HE1 PHE 19 HE1 PHE 19 -18.271 2.124 9.161 165 HE2 PHE 19 HE2 PHE 19 -16.960 1.716 5.125 166 HZ PHE 19 HZ PHE 19 -16.515 1.537 7.540 167 H ARG 20 HN ARG 20 -21.599 5.621 3.388 168 HA ARG 20 HA ARG 20 -24.537 5.781 3.443 169 1HB ARG 20 HB2 ARG 20 -22.515 7.502 2.004 170 2HB ARG 20 HB1 ARG 20 -24.237 7.544 1.655 171 1HG ARG 20 HG2 ARG 20 -24.723 8.308 3.884 172 2HG ARG 20 HG1 ARG 20 -23.031 8.126 4.352 173 1HD ARG 20 HD2 ARG 20 -22.358 9.883 2.899 174 2HD ARG 20 HD1 ARG 20 -23.942 9.939 2.131 175 HE ARG 20 HE ARG 20 -24.673 10.597 4.544 176 1HH1 ARG 20 HH11 ARG 20 -21.681 11.539 2.980 177 2HH1 ARG 20 HH12 ARG 20 -21.626 13.093 3.750 178 1HH2 ARG 20 HH21 ARG 20 -24.598 12.636 5.549 179 2HH2 ARG 20 HH22 ARG 20 -23.275 13.721 5.209 180 H ALA 21 HN ALA 21 -25.683 4.989 1.731 181 HA ALA 21 HA ALA 21 -24.687 2.840 0.276 182 1HB ALA 21 HB1 ALA 21 -27.076 3.226 0.670 183 2HB ALA 21 HB2 ALA 21 -26.730 2.960 -1.039 184 3HB ALA 21 HB3 ALA 21 -27.034 4.592 -0.446 185 H GLY 22 HN GLY 22 -23.182 2.819 -1.230 186 1HA GLY 22 HA2 GLY 22 -22.520 3.255 -3.479 187 2HA GLY 22 HA1 GLY 22 -23.311 4.820 -3.378 188 H VAL 23 HN VAL 23 -21.799 4.748 -0.556 189 HA VAL 23 HA VAL 23 -19.469 6.157 -1.656 190 HB VAL 23 HB VAL 23 -20.604 6.248 1.147 191 1HG1 VAL 23 HG11 VAL 23 -19.115 8.164 1.466 192 2HG1 VAL 23 HG12 VAL 23 -18.458 7.927 -0.154 193 3HG1 VAL 23 HG13 VAL 23 -18.205 6.701 1.090 194 1HG2 VAL 23 HG21 VAL 23 -21.413 8.470 0.553 195 2HG2 VAL 23 HG22 VAL 23 -22.109 7.243 -0.507 196 3HG2 VAL 23 HG23 VAL 23 -20.796 8.268 -1.086 197 H SER 24 HN SER 24 -17.663 5.029 -1.760 198 HA SER 24 HA SER 24 -17.163 2.785 0.001 199 1HB SER 24 HB2 SER 24 -15.459 4.026 -2.178 200 2HB SER 24 HB1 SER 24 -15.098 2.518 -1.338 201 HG SER 24 HG SER 24 -16.599 2.849 -3.484 202 H GLN 25 HN GLN 25 -15.741 2.731 1.677 203 HA GLN 25 HA GLN 25 -14.123 5.107 2.256 204 1HB GLN 25 HB2 GLN 25 -16.128 3.892 4.173 205 2HB GLN 25 HB1 GLN 25 -14.919 5.088 4.619 206 1HG GLN 25 HG2 GLN 25 -15.946 6.732 3.199 207 2HG GLN 25 HG1 GLN 25 -17.078 5.534 2.571 208 1HE2 GLN 25 HE21 GLN 25 -17.585 8.069 3.951 209 2HE2 GLN 25 HE22 GLN 25 -18.553 7.650 5.328 210 H THR 26 HN THR 26 -12.142 4.520 2.915 211 HA THR 26 HA THR 26 -11.470 1.776 3.290 212 HB THR 26 HB THR 26 -9.731 4.157 3.946 213 HG1 THR 26 HG1 THR 26 -10.275 2.893 1.436 214 1HG2 THR 26 HG21 THR 26 -9.085 1.356 3.013 215 2HG2 THR 26 HG22 THR 26 -8.869 1.970 4.653 216 3HG2 THR 26 HG23 THR 26 -7.910 2.632 3.328 217 H VAL 27 HN VAL 27 -11.388 0.626 5.124 218 HA VAL 27 HA VAL 27 -11.785 2.075 7.674 219 HB VAL 27 HB VAL 27 -13.110 0.220 8.490 220 1HG1 VAL 27 HG11 VAL 27 -15.067 0.403 7.023 221 2HG1 VAL 27 HG12 VAL 27 -14.054 1.138 5.780 222 3HG1 VAL 27 HG13 VAL 27 -14.304 1.966 7.316 223 1HG2 VAL 27 HG21 VAL 27 -12.023 -1.622 7.328 224 2HG2 VAL 27 HG22 VAL 27 -12.668 -1.054 5.787 225 3HG2 VAL 27 HG23 VAL 27 -13.763 -1.654 7.035 226 HA PRO 28 HA PRO 28 -8.378 -0.375 9.343 227 1HB PRO 28 HB2 PRO 28 -9.948 -0.796 11.795 228 2HB PRO 28 HB1 PRO 28 -8.420 0.065 11.583 229 1HG PRO 28 HG2 PRO 28 -10.717 1.359 12.112 230 2HG PRO 28 HG1 PRO 28 -9.461 2.057 11.073 231 1HD PRO 28 HD2 PRO 28 -12.022 0.706 10.302 232 2HD PRO 28 HD1 PRO 28 -11.268 2.165 9.622 233 H LYS 29 HN LYS 29 -7.902 -2.594 9.930 234 HA LYS 29 HA LYS 29 -9.577 -4.408 8.559 235 1HB LYS 29 HB2 LYS 29 -7.061 -4.579 8.921 236 2HB LYS 29 HB1 LYS 29 -7.437 -5.227 10.513 237 1HG LYS 29 HG2 LYS 29 -8.592 -7.090 9.554 238 2HG LYS 29 HG1 LYS 29 -8.453 -6.401 7.936 239 1HD LYS 29 HD2 LYS 29 -5.971 -6.553 8.168 240 2HD LYS 29 HD1 LYS 29 -6.220 -7.421 9.685 241 1HE LYS 29 HE2 LYS 29 -7.265 -8.290 6.991 242 2HE LYS 29 HE1 LYS 29 -5.820 -8.929 7.771 243 1HZ LYS 29 HZ1 LYS 29 -7.156 -9.779 9.558 244 2HZ LYS 29 HZ2 LYS 29 -7.779 -10.345 8.084 245 3HZ LYS 29 HZ3 LYS 29 -8.565 -9.086 8.910 246 H LYS 30 HN LYS 30 -9.422 -3.471 11.915 247 HA LYS 30 HA LYS 30 -10.912 -5.492 13.117 248 1HB LYS 30 HB2 LYS 30 -10.940 -2.509 13.581 249 2HB LYS 30 HB1 LYS 30 -11.849 -3.632 14.580 250 1HG LYS 30 HG2 LYS 30 -9.765 -4.747 15.215 251 2HG LYS 30 HG1 LYS 30 -8.860 -3.599 14.225 252 1HD LYS 30 HD2 LYS 30 -9.578 -1.761 15.605 253 2HD LYS 30 HD1 LYS 30 -10.657 -2.817 16.519 254 1HE LYS 30 HE2 LYS 30 -7.653 -3.085 16.413 255 2HE LYS 30 HE1 LYS 30 -8.552 -2.304 17.714 256 1HZ LYS 30 HZ1 LYS 30 -9.633 -4.377 18.213 257 2HZ LYS 30 HZ2 LYS 30 -7.952 -4.613 18.225 258 3HZ LYS 30 HZ3 LYS 30 -8.873 -5.143 16.906 259 H LEU 31 HN LEU 31 -11.975 -2.762 11.156 260 HA LEU 31 HA LEU 31 -14.759 -3.481 11.477 261 1HB LEU 31 HB2 LEU 31 -13.391 -1.327 9.873 262 2HB LEU 31 HB1 LEU 31 -15.125 -1.589 9.853 263 HG LEU 31 HG LEU 31 -13.470 -0.814 12.255 264 1HD1 LEU 31 HD11 LEU 31 -14.774 1.263 12.152 265 2HD1 LEU 31 HD12 LEU 31 -15.516 0.708 10.651 266 3HD1 LEU 31 HD13 LEU 31 -13.782 1.024 10.714 267 1HD2 LEU 31 HD21 LEU 31 -15.614 -0.646 13.425 268 2HD2 LEU 31 HD22 LEU 31 -15.292 -2.296 12.891 269 3HD2 LEU 31 HD23 LEU 31 -16.437 -1.289 12.005 270 H TYR 32 HN TYR 32 -12.180 -4.109 9.276 271 HA TYR 32 HA TYR 32 -13.713 -4.762 7.001 272 1HB TYR 32 HB2 TYR 32 -11.242 -4.460 6.965 273 2HB TYR 32 HB1 TYR 32 -11.071 -5.974 7.849 274 HD1 TYR 32 HD1 TYR 32 -12.587 -4.611 4.727 275 HD2 TYR 32 HD2 TYR 32 -10.774 -7.942 6.655 276 HE1 TYR 32 HE1 TYR 32 -12.598 -5.842 2.598 277 HE2 TYR 32 HE2 TYR 32 -10.780 -9.184 4.533 278 HH TYR 32 HH TYR 32 -11.493 -7.666 1.523 279 H GLU 33 HN GLU 33 -12.477 -6.762 9.666 280 HA GLU 33 HA GLU 33 -13.876 -9.105 8.857 281 1HB GLU 33 HB2 GLU 33 -12.405 -8.254 11.299 282 2HB GLU 33 HB1 GLU 33 -13.557 -9.570 11.476 283 1HG GLU 33 HG2 GLU 33 -11.482 -10.579 11.081 284 2HG GLU 33 HG1 GLU 33 -12.371 -10.704 9.567 285 H TYR 34 HN TYR 34 -14.637 -6.395 10.946 286 HA TYR 34 HA TYR 34 -16.941 -7.463 12.161 287 1HB TYR 34 HB2 TYR 34 -15.601 -5.379 12.812 288 2HB TYR 34 HB1 TYR 34 -16.516 -4.539 11.564 289 HD1 TYR 34 HD1 TYR 34 -16.962 -6.582 14.640 290 HD2 TYR 34 HD2 TYR 34 -18.591 -3.599 12.082 291 HE1 TYR 34 HE1 TYR 34 -18.760 -6.182 16.265 292 HE2 TYR 34 HE2 TYR 34 -20.398 -3.190 13.702 293 HH TYR 34 HH TYR 34 -20.332 -4.513 16.892 294 H LEU 35 HN LEU 35 -16.478 -5.615 9.177 295 HA LEU 35 HA LEU 35 -19.313 -5.651 8.601 296 1HB LEU 35 HB2 LEU 35 -16.980 -4.706 6.938 297 2HB LEU 35 HB1 LEU 35 -18.668 -4.514 6.503 298 HG LEU 35 HG LEU 35 -17.273 -3.248 8.863 299 1HD1 LEU 35 HD11 LEU 35 -18.434 -2.055 6.350 300 2HD1 LEU 35 HD12 LEU 35 -16.720 -2.210 6.736 301 3HD1 LEU 35 HD13 LEU 35 -17.748 -1.151 7.701 302 1HD2 LEU 35 HD21 LEU 35 -19.571 -3.853 9.429 303 2HD2 LEU 35 HD22 LEU 35 -20.153 -3.019 7.986 304 3HD2 LEU 35 HD23 LEU 35 -19.386 -2.105 9.288 305 H ASN 36 HN ASN 36 -16.655 -7.717 8.090 306 HA ASN 36 HA ASN 36 -17.639 -9.135 5.832 307 1HB ASN 36 HB2 ASN 36 -15.333 -9.421 6.714 308 2HB ASN 36 HB1 ASN 36 -15.993 -10.175 8.161 309 1HD2 ASN 36 HD21 ASN 36 -15.041 -12.137 7.899 310 2HD2 ASN 36 HD22 ASN 36 -15.413 -13.217 6.600 311 H GLU 37 HN GLU 37 -18.250 -9.212 9.271 312 HA GLU 37 HA GLU 37 -20.020 -11.451 9.252 313 1HB GLU 37 HB2 GLU 37 -19.770 -9.186 11.241 314 2HB GLU 37 HB1 GLU 37 -20.635 -10.692 11.511 315 1HG GLU 37 HG2 GLU 37 -17.676 -10.447 11.013 316 2HG GLU 37 HG1 GLU 37 -18.438 -10.661 12.589 317 H ASN 38 HN ASN 38 -20.316 -8.255 8.198 318 HA ASN 38 HA ASN 38 -23.259 -8.421 8.236 319 1HB ASN 38 HB2 ASN 38 -21.488 -6.003 8.626 320 2HB ASN 38 HB1 ASN 38 -23.196 -5.874 8.224 321 1HD2 ASN 38 HD21 ASN 38 -20.875 -6.766 10.660 322 2HD2 ASN 38 HD22 ASN 38 -21.997 -6.831 11.974 323 HA PRO 39 HA PRO 39 -21.649 -8.581 3.981 324 1HB PRO 39 HB2 PRO 39 -24.118 -9.992 3.332 325 2HB PRO 39 HB1 PRO 39 -22.450 -10.563 3.259 326 1HG PRO 39 HG2 PRO 39 -24.215 -11.472 5.094 327 2HG PRO 39 HG1 PRO 39 -22.478 -11.333 5.424 328 1HD PRO 39 HD2 PRO 39 -24.709 -9.495 6.216 329 2HD PRO 39 HD1 PRO 39 -23.318 -10.055 7.171 330 H TYR 40 HN TYR 40 -23.919 -6.566 5.120 331 HA TYR 40 HA TYR 40 -25.072 -5.954 2.517 332 1HB TYR 40 HB2 TYR 40 -26.257 -4.081 3.793 333 2HB TYR 40 HB1 TYR 40 -26.732 -5.736 4.134 334 HD1 TYR 40 HD1 TYR 40 -25.124 -2.730 5.461 335 HD2 TYR 40 HD2 TYR 40 -26.280 -6.737 6.292 336 HE1 TYR 40 HE1 TYR 40 -24.849 -2.304 7.868 337 HE2 TYR 40 HE2 TYR 40 -25.996 -6.328 8.698 338 HH TYR 40 HH TYR 40 -24.790 -4.798 10.180 339 H PHE 41 HN PHE 41 -22.206 -5.565 3.601 340 HA PHE 41 HA PHE 41 -21.861 -2.970 2.246 341 1HB PHE 41 HB2 PHE 41 -20.096 -4.355 4.282 342 2HB PHE 41 HB1 PHE 41 -19.570 -2.981 3.322 343 HD1 PHE 41 HD2 PHE 41 -21.776 -4.083 6.032 344 HD2 PHE 41 HD1 PHE 41 -20.306 -0.778 3.806 345 HE1 PHE 41 HE2 PHE 41 -22.668 -2.547 7.734 346 HE2 PHE 41 HE1 PHE 41 -21.184 0.765 5.504 347 HZ PHE 41 HZ PHE 41 -22.369 -0.120 7.472 348 H ILE 42 HN ILE 42 -20.382 -2.946 0.502 349 HA ILE 42 HA ILE 42 -19.394 -5.586 -0.295 350 HB ILE 42 HB ILE 42 -20.542 -4.205 -2.031 351 1HG1 ILE 42 HG12 ILE 42 -17.620 -4.754 -2.594 352 2HG1 ILE 42 HG11 ILE 42 -18.894 -5.968 -2.603 353 1HG2 ILE 42 HG21 ILE 42 -19.355 -2.312 -3.029 354 2HG2 ILE 42 HG22 ILE 42 -18.124 -2.425 -1.773 355 3HG2 ILE 42 HG23 ILE 42 -19.779 -2.000 -1.345 356 1HD1 ILE 42 HD11 ILE 42 -18.320 -5.270 -4.854 357 2HD1 ILE 42 HD12 ILE 42 -18.701 -3.598 -4.447 358 3HD1 ILE 42 HD13 ILE 42 -19.977 -4.814 -4.458 359 H LEU 43 HN LEU 43 -17.323 -6.132 -0.154 360 HA LEU 43 HA LEU 43 -15.532 -4.153 1.063 361 1HB LEU 43 HB2 LEU 43 -15.560 -7.169 1.240 362 2HB LEU 43 HB1 LEU 43 -14.357 -6.136 1.995 363 HG LEU 43 HG LEU 43 -17.279 -5.798 2.606 364 1HD1 LEU 43 HD11 LEU 43 -17.060 -7.260 4.504 365 2HD1 LEU 43 HD12 LEU 43 -15.381 -7.614 4.082 366 3HD1 LEU 43 HD13 LEU 43 -16.690 -8.154 3.028 367 1HD2 LEU 43 HD21 LEU 43 -14.755 -5.170 4.131 368 2HD2 LEU 43 HD22 LEU 43 -16.399 -4.849 4.680 369 3HD2 LEU 43 HD23 LEU 43 -15.762 -4.011 3.265 370 H THR 44 HN THR 44 -14.040 -3.376 -0.231 371 HA THR 44 HA THR 44 -12.983 -5.107 -2.365 372 HB THR 44 HB THR 44 -13.528 -2.141 -2.621 373 HG1 THR 44 HG1 THR 44 -15.183 -4.259 -2.835 374 1HG2 THR 44 HG21 THR 44 -12.749 -4.212 -4.681 375 2HG2 THR 44 HG22 THR 44 -11.692 -2.958 -4.032 376 3HG2 THR 44 HG23 THR 44 -13.096 -2.514 -5.002 377 H GLN 45 HN GLN 45 -10.844 -5.310 -2.309 378 HA GLN 45 HA GLN 45 -9.296 -3.560 -0.586 379 1HB GLN 45 HB2 GLN 45 -8.576 -6.081 -2.082 380 2HB GLN 45 HB1 GLN 45 -7.405 -5.127 -1.187 381 1HG GLN 45 HG2 GLN 45 -8.010 -6.894 0.223 382 2HG GLN 45 HG1 GLN 45 -8.856 -5.479 0.843 383 1HE2 GLN 45 HE21 GLN 45 -9.179 -8.519 -0.822 384 2HE2 GLN 45 HE22 GLN 45 -10.896 -8.672 -0.616 385 H GLU 46 HN GLU 46 -8.225 -1.884 -1.316 386 HA GLU 46 HA GLU 46 -7.728 -1.647 -4.200 387 1HB GLU 46 HB2 GLU 46 -7.614 0.461 -2.028 388 2HB GLU 46 HB1 GLU 46 -7.389 0.747 -3.749 389 1HG GLU 46 HG2 GLU 46 -9.679 0.018 -4.173 390 2HG GLU 46 HG1 GLU 46 -9.906 -0.268 -2.448 391 H LEU 47 HN LEU 47 -5.764 -2.109 -4.901 392 HA LEU 47 HA LEU 47 -3.539 -2.000 -2.977 393 1HB LEU 47 HB2 LEU 47 -3.947 -3.978 -5.218 394 2HB LEU 47 HB1 LEU 47 -2.564 -3.926 -4.143 395 HG LEU 47 HG LEU 47 -5.404 -4.494 -3.282 396 1HD1 LEU 47 HD11 LEU 47 -3.053 -6.345 -3.648 397 2HD1 LEU 47 HD12 LEU 47 -4.511 -6.300 -4.638 398 3HD1 LEU 47 HD13 LEU 47 -4.609 -6.787 -2.947 399 1HD2 LEU 47 HD21 LEU 47 -4.402 -5.113 -1.151 400 2HD2 LEU 47 HD22 LEU 47 -4.053 -3.428 -1.542 401 3HD2 LEU 47 HD23 LEU 47 -2.808 -4.660 -1.755 402 H ASN 48 HN ASN 48 -2.676 -0.074 -3.556 403 HA ASN 48 HA ASN 48 -1.011 1.112 -4.539 404 1HB ASN 48 HB2 ASN 48 0.015 -1.045 -5.172 405 2HB ASN 48 HB1 ASN 48 -0.934 -1.046 -6.655 406 1HD2 ASN 48 HD21 ASN 48 0.855 -1.034 -7.973 407 2HD2 ASN 48 HD22 ASN 48 1.882 0.348 -8.151 408 H ASN 49 HN ASN 49 -0.832 2.753 -5.996 409 HA ASN 49 HA ASN 49 -2.969 3.003 -8.015 410 1HB ASN 49 HB2 ASN 49 -3.242 4.472 -5.978 411 2HB ASN 49 HB1 ASN 49 -1.726 5.250 -6.402 412 1HD2 ASN 49 HD21 ASN 49 -4.406 6.355 -6.129 413 2HD2 ASN 49 HD22 ASN 49 -4.771 7.108 -7.643 414 H GLN 50 HN GLN 50 0.355 3.085 -7.251 415 HA GLN 50 HA GLN 50 1.093 4.778 -9.502 416 1HB GLN 50 HB2 GLN 50 2.596 3.622 -7.169 417 2HB GLN 50 HB1 GLN 50 3.444 4.319 -8.540 418 1HG GLN 50 HG2 GLN 50 1.366 5.819 -6.978 419 2HG GLN 50 HG1 GLN 50 3.080 5.828 -6.559 420 1HE2 GLN 50 HE21 GLN 50 3.277 8.023 -6.944 421 2HE2 GLN 50 HE22 GLN 50 3.268 8.688 -8.545 422 H LYS 51 HN LYS 51 1.011 3.673 -11.420 423 HA LYS 51 HA LYS 51 2.891 1.415 -11.534 424 1HB LYS 51 HB2 LYS 51 0.555 0.739 -12.173 425 2HB LYS 51 HB1 LYS 51 0.670 1.852 -13.536 426 1HG LYS 51 HG2 LYS 51 2.908 0.505 -13.977 427 2HG LYS 51 HG1 LYS 51 2.046 -0.742 -13.080 428 1HD LYS 51 HD2 LYS 51 0.267 -0.755 -14.669 429 2HD LYS 51 HD1 LYS 51 0.901 0.682 -15.475 430 1HE LYS 51 HE2 LYS 51 2.254 -2.016 -15.343 431 2HE LYS 51 HE1 LYS 51 1.401 -1.362 -16.738 432 1HZ LYS 51 HZ1 LYS 51 3.961 -0.431 -15.561 433 2HZ LYS 51 HZ2 LYS 51 3.059 0.534 -16.621 434 3HZ LYS 51 HZ3 LYS 51 3.659 -0.962 -17.145 435 H ASP 52 HN ASP 52 4.046 3.748 -11.545 436 HA ASP 52 HA ASP 52 4.664 4.359 -14.339 437 1HB ASP 52 HB2 ASP 52 4.592 6.104 -12.384 438 2HB ASP 52 HB1 ASP 52 6.173 5.453 -11.968 439 H ASP 53 HN ASP 53 5.003 1.830 -12.835 440 HA ASP 53 HA ASP 53 6.395 0.108 -12.500 441 1HB ASP 53 HB2 ASP 53 8.239 1.569 -14.404 442 2HB ASP 53 HB1 ASP 53 8.396 -0.114 -13.908 443 HA PRO 54 HA PRO 54 8.431 2.641 -9.297 444 1HB PRO 54 HB2 PRO 54 7.490 1.290 -7.180 445 2HB PRO 54 HB1 PRO 54 6.479 2.425 -8.081 446 1HG PRO 54 HG2 PRO 54 6.581 -0.562 -8.243 447 2HG PRO 54 HG1 PRO 54 5.168 0.510 -8.215 448 1HD PRO 54 HD2 PRO 54 6.203 -0.575 -10.502 449 2HD PRO 54 HD1 PRO 54 5.311 0.959 -10.454 450 H ILE 55 HN ILE 55 9.745 0.530 -10.775 451 HA ILE 55 HA ILE 55 11.655 -0.283 -8.719 452 HB ILE 55 HB ILE 55 10.031 -2.178 -9.067 453 1HG1 ILE 55 HG12 ILE 55 11.787 -3.916 -9.342 454 2HG1 ILE 55 HG11 ILE 55 12.908 -2.660 -9.860 455 1HG2 ILE 55 HG21 ILE 55 10.215 -3.500 -11.136 456 2HG2 ILE 55 HG22 ILE 55 11.234 -2.238 -11.828 457 3HG2 ILE 55 HG23 ILE 55 9.555 -1.889 -11.416 458 1HD1 ILE 55 HD11 ILE 55 12.697 -1.578 -7.680 459 2HD1 ILE 55 HD12 ILE 55 13.267 -3.241 -7.540 460 3HD1 ILE 55 HD13 ILE 55 11.589 -2.849 -7.161 461 H ASN 56 HN ASN 56 11.411 1.680 -10.847 462 HA ASN 56 HA ASN 56 13.743 1.039 -12.471 463 1HB ASN 56 HB2 ASN 56 11.806 0.295 -13.820 464 2HB ASN 56 HB1 ASN 56 11.094 1.897 -13.677 465 1HD2 ASN 56 HD21 ASN 56 11.971 3.610 -14.861 466 2HD2 ASN 56 HD22 ASN 56 13.068 3.340 -16.173 467 H TYR 57 HN TYR 57 14.887 2.658 -11.472 468 HA TYR 57 HA TYR 57 14.068 5.399 -12.101 469 1HB TYR 57 HB2 TYR 57 15.003 4.538 -9.354 470 2HB TYR 57 HB1 TYR 57 14.683 6.188 -9.857 471 HD1 TYR 57 HD2 TYR 57 13.138 2.943 -9.031 472 HD2 TYR 57 HD1 TYR 57 12.462 7.053 -9.902 473 HE1 TYR 57 HE2 TYR 57 10.821 2.718 -8.243 474 HE2 TYR 57 HE1 TYR 57 10.147 6.848 -9.108 475 HH TYR 57 HH TYR 57 9.039 4.161 -7.345 476 H THR 58 HN THR 58 15.850 6.920 -11.982 477 HA THR 58 HA THR 58 18.332 5.927 -12.895 478 HB THR 58 HB THR 58 17.884 8.627 -11.651 479 HG1 THR 58 HG1 THR 58 16.263 8.377 -13.192 480 1HG2 THR 58 HG21 THR 58 20.204 8.056 -12.207 481 2HG2 THR 58 HG22 THR 58 19.594 9.334 -13.257 482 3HG2 THR 58 HG23 THR 58 19.717 7.681 -13.860 483 H GLU 59 HN GLU 59 19.997 5.084 -11.792 484 HA GLU 59 HA GLU 59 19.925 4.814 -8.985 485 1HB GLU 59 HB2 GLU 59 22.167 3.884 -9.166 486 2HB GLU 59 HB1 GLU 59 21.127 3.231 -10.417 487 1HG GLU 59 HG2 GLU 59 23.031 3.614 -11.608 488 2HG GLU 59 HG1 GLU 59 22.186 5.138 -11.867 489 H SER 60 HN SER 60 21.218 7.200 -11.116 490 HA SER 60 HA SER 60 22.817 8.578 -9.240 491 1HB SER 60 HB2 SER 60 21.381 9.767 -11.624 492 2HB SER 60 HB1 SER 60 22.855 10.357 -10.856 493 HG SER 60 HG SER 60 23.422 7.908 -11.489 494 H GLU 61 HN GLU 61 19.386 8.524 -9.992 495 HA GLU 61 HA GLU 61 18.825 10.827 -8.315 496 1HB GLU 61 HB2 GLU 61 17.022 8.812 -9.661 497 2HB GLU 61 HB1 GLU 61 16.426 10.148 -8.684 498 1HG GLU 61 HG2 GLU 61 18.090 10.410 -11.179 499 2HG GLU 61 HG1 GLU 61 16.345 10.638 -11.078 500 H LEU 62 HN LEU 62 18.450 7.316 -8.128 501 HA LEU 62 HA LEU 62 17.263 7.269 -5.553 502 1HB LEU 62 HB2 LEU 62 18.742 5.155 -7.112 503 2HB LEU 62 HB1 LEU 62 17.963 4.850 -5.573 504 HG LEU 62 HG LEU 62 16.558 5.750 -8.088 505 1HD1 LEU 62 HD11 LEU 62 15.585 3.452 -7.994 506 2HD1 LEU 62 HD12 LEU 62 16.759 3.068 -6.735 507 3HD1 LEU 62 HD13 LEU 62 17.311 3.497 -8.353 508 1HD2 LEU 62 HD21 LEU 62 15.458 6.552 -6.060 509 2HD2 LEU 62 HD22 LEU 62 15.463 4.916 -5.402 510 3HD2 LEU 62 HD23 LEU 62 14.507 5.286 -6.837 511 H LYS 63 HN LYS 63 20.412 7.915 -6.537 512 HA LYS 63 HA LYS 63 21.894 6.745 -4.432 513 1HB LYS 63 HB2 LYS 63 22.654 7.765 -6.719 514 2HB LYS 63 HB1 LYS 63 22.744 9.268 -5.813 515 1HG LYS 63 HG2 LYS 63 24.910 8.183 -5.929 516 2HG LYS 63 HG1 LYS 63 24.325 8.242 -4.264 517 1HD LYS 63 HD2 LYS 63 25.312 6.069 -4.771 518 2HD LYS 63 HD1 LYS 63 23.587 5.920 -4.435 519 1HE LYS 63 HE2 LYS 63 24.176 4.535 -6.329 520 2HE LYS 63 HE1 LYS 63 23.145 5.863 -6.858 521 1HZ LYS 63 HZ1 LYS 63 26.107 5.799 -7.106 522 2HZ LYS 63 HZ2 LYS 63 25.083 7.020 -7.686 523 3HZ LYS 63 HZ3 LYS 63 25.016 5.467 -8.366 524 H GLY 64 HN GLY 64 20.788 10.096 -4.948 525 1HA GLY 64 HA2 GLY 64 21.347 10.694 -2.137 526 2HA GLY 64 HA1 GLY 64 20.946 11.867 -3.385 527 H MET 65 HN MET 65 19.452 8.976 -1.963 528 HA MET 65 HA MET 65 16.922 10.474 -1.800 529 1HB MET 65 HB2 MET 65 17.479 7.664 -2.667 530 2HB MET 65 HB1 MET 65 15.935 8.048 -1.923 531 1HG MET 65 HG2 MET 65 17.037 9.443 -4.346 532 2HG MET 65 HG1 MET 65 15.931 8.073 -4.404 533 1HE MET 65 HE1 MET 65 15.148 10.534 -5.989 534 2HE MET 65 HE2 MET 65 13.495 10.862 -5.471 535 3HE MET 65 HE3 MET 65 14.021 9.200 -5.743 536 H ASN 66 HN ASN 66 15.428 8.724 -0.448 537 HA ASN 66 HA ASN 66 16.596 8.798 2.241 538 1HB ASN 66 HB2 ASN 66 14.540 10.083 1.850 539 2HB ASN 66 HB1 ASN 66 13.740 8.657 1.216 540 1HD2 ASN 66 HD21 ASN 66 12.093 8.714 2.617 541 2HD2 ASN 66 HD22 ASN 66 12.258 8.400 4.318 542 H LYS 67 HN LYS 67 15.006 6.906 3.495 543 HA LYS 67 HA LYS 67 15.852 4.406 2.219 544 1HB LYS 67 HB2 LYS 67 16.544 4.860 4.560 545 2HB LYS 67 HB1 LYS 67 14.852 4.922 5.027 546 1HG LYS 67 HG2 LYS 67 14.599 2.569 4.340 547 2HG LYS 67 HG1 LYS 67 16.322 2.523 3.953 548 1HD LYS 67 HD2 LYS 67 16.449 1.737 6.079 549 2HD LYS 67 HD1 LYS 67 16.486 3.461 6.444 550 1HE LYS 67 HE2 LYS 67 14.153 1.569 6.636 551 2HE LYS 67 HE1 LYS 67 14.927 2.473 7.932 552 1HZ LYS 67 HZ1 LYS 67 14.145 4.517 6.574 553 2HZ LYS 67 HZ2 LYS 67 13.036 3.684 7.540 554 3HZ LYS 67 HZ3 LYS 67 13.058 3.418 5.863 555 H ALA 68 HN ALA 68 13.034 6.155 3.333 556 HA ALA 68 HA ALA 68 11.259 4.001 3.591 557 1HB ALA 68 HB1 ALA 68 10.915 6.173 4.651 558 2HB ALA 68 HB2 ALA 68 9.506 5.662 3.720 559 3HB ALA 68 HB3 ALA 68 10.596 6.889 3.070 560 H GLU 69 HN GLU 69 12.019 6.007 0.768 561 HA GLU 69 HA GLU 69 9.705 5.074 -0.647 562 1HB GLU 69 HB2 GLU 69 10.402 6.362 -2.496 563 2HB GLU 69 HB1 GLU 69 10.816 7.303 -1.075 564 1HG GLU 69 HG2 GLU 69 12.746 5.639 -2.668 565 2HG GLU 69 HG1 GLU 69 12.523 7.377 -2.826 566 H HIS 70 HN HIS 70 13.168 4.284 -0.682 567 HA HIS 70 HA HIS 70 13.165 2.258 -2.575 568 1HB HIS 70 HB2 HIS 70 14.693 2.544 0.006 569 2HB HIS 70 HB1 HIS 70 14.968 1.209 -1.102 570 HD1 HIS 70 HD1 HIS 70 15.609 4.858 -0.643 571 HD2 HIS 70 HD2 HIS 70 16.271 1.902 -3.504 572 HE1 HIS 70 HE1 HIS 70 17.360 5.771 -2.189 573 HE2 HIS 70 HE2 HIS 70 17.804 3.954 -3.859 574 H GLU 71 HN GLU 71 12.273 2.130 0.847 575 HA GLU 71 HA GLU 71 11.821 -0.635 1.009 576 1HB GLU 71 HB2 GLU 71 10.517 1.625 2.543 577 2HB GLU 71 HB1 GLU 71 10.416 -0.075 2.983 578 1HG GLU 71 HG2 GLU 71 12.775 -0.174 3.377 579 2HG GLU 71 HG1 GLU 71 12.989 1.463 2.760 580 H SER 72 HN SER 72 9.608 2.037 0.262 581 HA SER 72 HA SER 72 7.324 0.412 -0.185 582 1HB SER 72 HB2 SER 72 7.949 3.163 -1.282 583 2HB SER 72 HB1 SER 72 6.352 2.421 -1.168 584 HG SER 72 HG SER 72 8.050 3.303 0.918 585 H ILE 73 HN ILE 73 9.972 1.455 -2.208 586 HA ILE 73 HA ILE 73 8.954 0.909 -4.743 587 HB ILE 73 HB ILE 73 11.731 0.931 -3.607 588 1HG1 ILE 73 HG12 ILE 73 10.451 2.575 -5.794 589 2HG1 ILE 73 HG11 ILE 73 10.478 3.040 -4.097 590 1HG2 ILE 73 HG21 ILE 73 11.046 0.230 -6.456 591 2HG2 ILE 73 HG22 ILE 73 11.818 -0.826 -5.272 592 3HG2 ILE 73 HG23 ILE 73 12.660 0.610 -5.857 593 1HD1 ILE 73 HD11 ILE 73 12.890 2.630 -5.849 594 2HD1 ILE 73 HD12 ILE 73 12.914 3.110 -4.154 595 3HD1 ILE 73 HD13 ILE 73 12.210 4.181 -5.363 596 H ILE 74 HN ILE 74 10.904 -1.263 -2.660 597 HA ILE 74 HA ILE 74 10.516 -3.363 -4.617 598 HB ILE 74 HB ILE 74 11.898 -4.181 -2.179 599 1HG1 ILE 74 HG12 ILE 74 13.081 -1.952 -3.864 600 2HG1 ILE 74 HG11 ILE 74 12.535 -1.776 -2.200 601 1HG2 ILE 74 HG21 ILE 74 13.548 -4.899 -3.878 602 2HG2 ILE 74 HG22 ILE 74 12.588 -4.081 -5.116 603 3HG2 ILE 74 HG23 ILE 74 11.912 -5.456 -4.234 604 1HD1 ILE 74 HD11 ILE 74 14.942 -1.980 -2.302 605 2HD1 ILE 74 HD12 ILE 74 14.796 -3.516 -3.155 606 3HD1 ILE 74 HD13 ILE 74 14.244 -3.379 -1.487 607 H SER 75 HN SER 75 8.958 -2.368 -1.754 608 HA SER 75 HA SER 75 7.846 -4.973 -1.195 609 1HB SER 75 HB2 SER 75 6.281 -3.686 0.297 610 2HB SER 75 HB1 SER 75 7.988 -3.454 0.666 611 HG SER 75 HG SER 75 7.758 -1.421 0.266 612 H ASN 76 HN ASN 76 6.991 -2.078 -2.970 613 HA ASN 76 HA ASN 76 4.392 -2.831 -3.787 614 1HB ASN 76 HB2 ASN 76 5.717 -0.565 -4.021 615 2HB ASN 76 HB1 ASN 76 6.241 -1.254 -5.553 616 1HD2 ASN 76 HD21 ASN 76 3.623 0.046 -3.744 617 2HD2 ASN 76 HD22 ASN 76 2.504 0.186 -5.056 618 H LEU 77 HN LEU 77 7.609 -3.465 -4.985 619 HA LEU 77 HA LEU 77 6.996 -4.805 -7.372 620 1HB LEU 77 HB2 LEU 77 9.247 -4.030 -6.761 621 2HB LEU 77 HB1 LEU 77 9.300 -5.198 -5.457 622 HG LEU 77 HG LEU 77 9.172 -7.017 -7.171 623 1HD1 LEU 77 HD11 LEU 77 8.152 -5.727 -8.976 624 2HD1 LEU 77 HD12 LEU 77 9.673 -6.454 -9.492 625 3HD1 LEU 77 HD13 LEU 77 9.607 -4.737 -9.095 626 1HD2 LEU 77 HD21 LEU 77 11.288 -6.330 -6.162 627 2HD2 LEU 77 HD22 LEU 77 11.485 -5.098 -7.409 628 3HD2 LEU 77 HD23 LEU 77 11.508 -6.805 -7.846 629 H GLY 78 HN GLY 78 6.723 -5.766 -4.067 630 1HA GLY 78 HA2 GLY 78 5.565 -7.643 -3.278 631 2HA GLY 78 HA1 GLY 78 5.711 -8.377 -4.868 632 H ARG 79 HN ARG 79 8.626 -7.069 -3.776 633 HA ARG 79 HA ARG 79 9.662 -9.760 -3.333 634 1HB ARG 79 HB2 ARG 79 10.845 -8.329 -4.929 635 2HB ARG 79 HB1 ARG 79 11.094 -7.118 -3.682 636 1HG ARG 79 HG2 ARG 79 13.139 -8.250 -3.887 637 2HG ARG 79 HG1 ARG 79 12.399 -8.873 -2.415 638 1HD ARG 79 HD2 ARG 79 12.323 -10.230 -5.108 639 2HD ARG 79 HD1 ARG 79 13.433 -10.637 -3.802 640 HE ARG 79 HE ARG 79 10.512 -11.035 -3.741 641 1HH1 ARG 79 HH11 ARG 79 13.727 -11.815 -2.593 642 2HH1 ARG 79 HH12 ARG 79 13.190 -13.148 -1.614 643 1HH2 ARG 79 HH21 ARG 79 9.807 -12.793 -2.476 644 2HH2 ARG 79 HH22 ARG 79 10.974 -13.706 -1.560 645 H ASN 80 HN ASN 80 9.256 -6.695 -1.680 646 HA ASN 80 HA ASN 80 9.281 -6.120 0.516 647 1HB ASN 80 HB2 ASN 80 8.073 -8.169 1.010 648 2HB ASN 80 HB1 ASN 80 9.573 -9.090 1.007 649 1HD2 ASN 80 HD21 ASN 80 9.264 -9.803 3.096 650 2HD2 ASN 80 HD22 ASN 80 9.444 -8.771 4.470 651 HA PRO 81 HA PRO 81 13.746 -5.786 0.612 652 1HB PRO 81 HB2 PRO 81 13.342 -3.367 2.160 653 2HB PRO 81 HB1 PRO 81 13.962 -3.538 0.517 654 1HG PRO 81 HG2 PRO 81 11.546 -2.424 1.099 655 2HG PRO 81 HG1 PRO 81 11.899 -3.252 -0.428 656 1HD PRO 81 HD2 PRO 81 10.433 -4.256 1.981 657 2HD PRO 81 HD1 PRO 81 10.072 -4.495 0.257 658 H SER 82 HN SER 82 13.179 -7.682 2.280 659 HA SER 82 HA SER 82 13.634 -6.810 5.024 660 1HB SER 82 HB2 SER 82 11.952 -8.592 4.487 661 2HB SER 82 HB1 SER 82 13.281 -9.630 3.971 662 HG SER 82 HG SER 82 12.964 -8.494 6.565 663 H ASP 83 HN ASP 83 15.328 -8.284 2.372 664 HA ASP 83 HA ASP 83 17.550 -9.203 3.981 665 1HB ASP 83 HB2 ASP 83 16.857 -10.435 1.966 666 2HB ASP 83 HB1 ASP 83 17.231 -9.029 0.975 667 H PHE 84 HN PHE 84 16.651 -6.344 2.347 668 HA PHE 84 HA PHE 84 19.337 -5.458 1.781 669 1HB PHE 84 HB2 PHE 84 16.717 -3.970 1.506 670 2HB PHE 84 HB1 PHE 84 18.266 -3.487 0.821 671 HD1 PHE 84 HD1 PHE 84 15.532 -5.917 0.623 672 HD2 PHE 84 HD2 PHE 84 19.113 -4.501 -1.167 673 HE1 PHE 84 HE1 PHE 84 15.030 -7.228 -1.396 674 HE2 PHE 84 HE2 PHE 84 18.625 -5.812 -3.190 675 HZ PHE 84 HZ PHE 84 16.580 -7.176 -3.307 676 H LYS 85 HN LYS 85 20.565 -4.255 3.011 677 HA LYS 85 HA LYS 85 19.439 -3.232 5.540 678 1HB LYS 85 HB2 LYS 85 22.366 -3.639 5.026 679 2HB LYS 85 HB1 LYS 85 21.487 -3.723 6.548 680 1HG LYS 85 HG2 LYS 85 20.849 -5.887 6.227 681 2HG LYS 85 HG1 LYS 85 20.857 -5.745 4.468 682 1HD LYS 85 HD2 LYS 85 23.381 -5.552 4.642 683 2HD LYS 85 HD1 LYS 85 23.201 -6.061 6.323 684 1HE LYS 85 HE2 LYS 85 23.724 -7.954 4.868 685 2HE LYS 85 HE1 LYS 85 22.131 -8.124 5.601 686 1HZ LYS 85 HZ1 LYS 85 22.547 -7.049 2.857 687 2HZ LYS 85 HZ2 LYS 85 21.085 -7.537 3.571 688 3HZ LYS 85 HZ3 LYS 85 22.263 -8.691 3.185 689 H ASN 86 HN ASN 86 22.033 -2.611 3.208 690 HA ASN 86 HA ASN 86 22.096 0.219 3.920 691 1HB ASN 86 HB2 ASN 86 24.157 -1.281 3.551 692 2HB ASN 86 HB1 ASN 86 23.780 -1.184 1.838 693 1HD2 ASN 86 HD21 ASN 86 26.118 -0.273 3.346 694 2HD2 ASN 86 HD22 ASN 86 26.266 1.423 2.997 695 H ALA 87 HN ALA 87 21.873 1.885 2.294 696 HA ALA 87 HA ALA 87 19.684 1.562 0.558 697 1HB ALA 87 HB1 ALA 87 20.373 3.725 1.495 698 2HB ALA 87 HB2 ALA 87 20.219 3.786 -0.261 699 3HB ALA 87 HB3 ALA 87 21.817 3.695 0.480 700 H ASP 88 HN ASP 88 23.114 1.204 0.111 701 HA ASP 88 HA ASP 88 23.387 1.240 -2.642 702 1HB ASP 88 HB2 ASP 88 25.335 1.083 -1.271 703 2HB ASP 88 HB1 ASP 88 24.781 -0.416 -0.537 704 H GLU 89 HN GLU 89 22.720 -1.600 -0.601 705 HA GLU 89 HA GLU 89 22.454 -3.501 -2.613 706 1HB GLU 89 HB2 GLU 89 20.941 -3.381 0.007 707 2HB GLU 89 HB1 GLU 89 21.191 -4.816 -0.976 708 1HG GLU 89 HG2 GLU 89 23.535 -4.800 -0.528 709 2HG GLU 89 HG1 GLU 89 23.421 -3.233 0.274 710 H ARG 90 HN ARG 90 20.153 -1.213 -1.311 711 HA ARG 90 HA ARG 90 17.831 -2.282 -2.540 712 1HB ARG 90 HB2 ARG 90 18.273 0.587 -1.702 713 2HB ARG 90 HB1 ARG 90 16.741 -0.268 -1.821 714 1HG ARG 90 HG2 ARG 90 17.329 -1.672 0.047 715 2HG ARG 90 HG1 ARG 90 18.933 -0.946 0.123 716 1HD ARG 90 HD2 ARG 90 17.781 1.267 0.534 717 2HD ARG 90 HD1 ARG 90 16.284 0.350 0.738 718 HE ARG 90 HE ARG 90 18.669 0.124 2.463 719 1HH1 ARG 90 HH11 ARG 90 15.221 -0.283 1.965 720 2HH1 ARG 90 HH12 ARG 90 14.922 -0.783 3.601 721 1HH2 ARG 90 HH21 ARG 90 18.260 -0.542 4.618 722 2HH2 ARG 90 HH22 ARG 90 16.632 -0.945 5.089 723 H ILE 91 HN ILE 91 20.061 0.336 -3.407 724 HA ILE 91 HA ILE 91 18.700 1.157 -5.749 725 HB ILE 91 HB ILE 91 21.640 1.427 -5.083 726 1HG1 ILE 91 HG12 ILE 91 19.383 3.401 -4.673 727 2HG1 ILE 91 HG11 ILE 91 20.084 2.409 -3.397 728 1HG2 ILE 91 HG21 ILE 91 21.209 1.774 -7.453 729 2HG2 ILE 91 HG22 ILE 91 21.615 3.300 -6.667 730 3HG2 ILE 91 HG23 ILE 91 19.936 2.934 -7.068 731 1HD1 ILE 91 HD11 ILE 91 20.966 4.675 -3.365 732 2HD1 ILE 91 HD12 ILE 91 21.548 4.478 -5.018 733 3HD1 ILE 91 HD13 ILE 91 22.233 3.499 -3.720 734 H ALA 92 HN ALA 92 21.362 -1.109 -5.180 735 HA ALA 92 HA ALA 92 21.952 -1.692 -7.858 736 1HB ALA 92 HB1 ALA 92 23.082 -3.667 -7.003 737 2HB ALA 92 HB2 ALA 92 22.260 -3.484 -5.453 738 3HB ALA 92 HB3 ALA 92 23.420 -2.267 -5.986 739 H TYR 93 HN TYR 93 19.557 -3.065 -5.657 740 HA TYR 93 HA TYR 93 18.830 -5.221 -7.372 741 1HB TYR 93 HB2 TYR 93 18.388 -5.082 -4.872 742 2HB TYR 93 HB1 TYR 93 17.073 -3.975 -5.255 743 HD1 TYR 93 HD2 TYR 93 18.315 -7.415 -5.943 744 HD2 TYR 93 HD1 TYR 93 14.957 -4.809 -5.802 745 HE1 TYR 93 HE2 TYR 93 16.822 -9.331 -6.298 746 HE2 TYR 93 HE1 TYR 93 13.450 -6.718 -6.156 747 HH TYR 93 HH TYR 93 13.581 -9.018 -7.149 748 H ILE 94 HN ILE 94 17.505 -1.996 -6.770 749 HA ILE 94 HA ILE 94 15.296 -2.155 -8.484 750 HB ILE 94 HB ILE 94 16.959 0.269 -7.754 751 1HG1 ILE 94 HG12 ILE 94 14.343 -0.730 -6.598 752 2HG1 ILE 94 HG11 ILE 94 15.915 -1.005 -5.862 753 1HG2 ILE 94 HG21 ILE 94 15.637 0.688 -9.759 754 2HG2 ILE 94 HG22 ILE 94 14.991 1.587 -8.387 755 3HG2 ILE 94 HG23 ILE 94 14.185 0.117 -8.936 756 1HD1 ILE 94 HD11 ILE 94 16.200 1.403 -5.557 757 2HD1 ILE 94 HD12 ILE 94 14.723 0.834 -4.781 758 3HD1 ILE 94 HD13 ILE 94 14.638 1.689 -6.321 759 H LEU 95 HN LEU 95 18.639 -1.130 -9.099 760 HA LEU 95 HA LEU 95 18.439 -0.530 -11.818 761 1HB LEU 95 HB2 LEU 95 20.649 -1.563 -10.085 762 2HB LEU 95 HB1 LEU 95 20.885 -1.479 -11.820 763 HG LEU 95 HG LEU 95 20.189 0.876 -10.061 764 1HD1 LEU 95 HD11 LEU 95 22.517 1.557 -10.455 765 2HD1 LEU 95 HD12 LEU 95 22.813 0.034 -11.294 766 3HD1 LEU 95 HD13 LEU 95 22.417 0.031 -9.576 767 1HD2 LEU 95 HD21 LEU 95 19.380 1.190 -12.305 768 2HD2 LEU 95 HD22 LEU 95 20.913 0.646 -12.980 769 3HD2 LEU 95 HD23 LEU 95 20.833 2.165 -12.091 770 H LYS 96 HN LYS 96 18.771 -3.629 -10.187 771 HA LYS 96 HA LYS 96 19.449 -5.112 -12.502 772 1HB LYS 96 HB2 LYS 96 19.679 -5.673 -9.937 773 2HB LYS 96 HB1 LYS 96 18.097 -6.407 -10.172 774 1HG LYS 96 HG2 LYS 96 19.005 -7.824 -11.933 775 2HG LYS 96 HG1 LYS 96 20.589 -7.077 -11.722 776 1HD LYS 96 HD2 LYS 96 20.498 -7.852 -9.322 777 2HD LYS 96 HD1 LYS 96 19.078 -8.801 -9.770 778 1HE LYS 96 HE2 LYS 96 21.860 -9.044 -10.913 779 2HE LYS 96 HE1 LYS 96 21.044 -10.198 -9.860 780 1HZ LYS 96 HZ1 LYS 96 20.251 -9.483 -12.634 781 2HZ LYS 96 HZ2 LYS 96 19.386 -10.529 -11.618 782 3HZ LYS 96 HZ3 LYS 96 20.947 -10.945 -12.130 783 H GLN 97 HN GLN 97 16.404 -4.093 -11.128 784 HA GLN 97 HA GLN 97 14.895 -5.940 -12.775 785 1HB GLN 97 HB2 GLN 97 14.266 -4.143 -10.573 786 2HB GLN 97 HB1 GLN 97 13.084 -4.049 -11.872 787 1HG GLN 97 HG2 GLN 97 12.179 -5.730 -10.647 788 2HG GLN 97 HG1 GLN 97 13.198 -6.667 -11.734 789 1HE2 GLN 97 HE21 GLN 97 15.590 -5.633 -10.186 790 2HE2 GLN 97 HE22 GLN 97 15.633 -6.619 -8.771 791 H ILE 98 HN ILE 98 16.156 -2.747 -13.007 792 HA ILE 98 HA ILE 98 14.610 -1.860 -15.216 793 HB ILE 98 HB ILE 98 17.480 -1.212 -14.492 794 1HG1 ILE 98 HG12 ILE 98 14.911 0.274 -13.900 795 2HG1 ILE 98 HG11 ILE 98 15.854 -0.644 -12.731 796 1HG2 ILE 98 HG21 ILE 98 15.591 0.233 -16.348 797 2HG2 ILE 98 HG22 ILE 98 17.007 -0.700 -16.830 798 3HG2 ILE 98 HG23 ILE 98 17.203 0.777 -15.886 799 1HD1 ILE 98 HD11 ILE 98 16.264 1.725 -12.500 800 2HD1 ILE 98 HD12 ILE 98 16.755 1.827 -14.191 801 3HD1 ILE 98 HD13 ILE 98 17.722 0.900 -13.046 802 H ASP 99 HN ASP 99 17.611 -3.669 -14.884 803 HA ASP 99 HA ASP 99 18.125 -4.143 -17.603 804 1HB ASP 99 HB2 ASP 99 19.854 -4.599 -16.030 805 2HB ASP 99 HB1 ASP 99 18.819 -5.672 -15.095 806 H ASN 100 HN ASN 100 16.148 -5.872 -15.241 807 HA ASN 100 HA ASN 100 15.448 -7.913 -17.194 808 1HB ASN 100 HB2 ASN 100 14.754 -7.565 -14.278 809 2HB ASN 100 HB1 ASN 100 14.087 -8.851 -15.273 810 1HD2 ASN 100 HD21 ASN 100 16.627 -9.084 -16.786 811 2HD2 ASN 100 HD22 ASN 100 17.706 -9.927 -15.735 812 H LYS 101 HN LYS 101 14.501 -4.966 -17.217 813 HA LYS 101 HA LYS 101 11.634 -5.283 -16.984 814 1HB LYS 101 HB2 LYS 101 12.960 -3.139 -16.497 815 2HB LYS 101 HB1 LYS 101 13.073 -2.947 -18.240 816 1HG LYS 101 HG2 LYS 101 10.665 -2.822 -18.421 817 2HG LYS 101 HG1 LYS 101 10.496 -3.127 -16.688 818 1HD LYS 101 HD2 LYS 101 11.874 -1.052 -16.304 819 2HD LYS 101 HD1 LYS 101 11.722 -0.722 -18.030 820 1HE LYS 101 HE2 LYS 101 9.401 -1.060 -16.138 821 2HE LYS 101 HE1 LYS 101 10.078 0.492 -16.619 822 1HZ LYS 101 HZ1 LYS 101 9.529 -0.078 -18.938 823 2HZ LYS 101 HZ2 LYS 101 8.160 0.010 -17.940 824 3HZ LYS 101 HZ3 LYS 101 8.773 -1.495 -18.399 825 H GLY 102 HN GLY 102 11.375 -7.010 -18.465 826 1HA GLY 102 HA2 GLY 102 12.224 -6.741 -21.204 827 2HA GLY 102 HA1 GLY 102 11.291 -8.063 -20.521 828 H GLU 103 HN GLU 103 10.863 -4.582 -21.104 829 HA GLU 103 HA GLU 103 8.124 -5.116 -22.003 830 1HB GLU 103 HB2 GLU 103 8.730 -3.296 -20.289 831 2HB GLU 103 HB1 GLU 103 9.409 -2.407 -21.645 832 1HG GLU 103 HG2 GLU 103 7.244 -2.350 -22.729 833 2HG GLU 103 HG1 GLU 103 6.547 -3.321 -21.434 834 H LEU 104 HN LEU 104 10.677 -5.693 -23.456 835 HA LEU 104 HA LEU 104 10.706 -3.832 -25.672 836 1HB LEU 104 HB2 LEU 104 12.213 -6.424 -25.296 837 2HB LEU 104 HB1 LEU 104 12.511 -5.236 -26.551 838 HG LEU 104 HG LEU 104 12.893 -4.757 -23.592 839 1HD1 LEU 104 HD11 LEU 104 14.519 -6.348 -24.474 840 2HD1 LEU 104 HD12 LEU 104 15.280 -4.801 -24.101 841 3HD1 LEU 104 HD13 LEU 104 14.920 -5.226 -25.775 842 1HD2 LEU 104 HD21 LEU 104 14.004 -2.699 -24.309 843 2HD2 LEU 104 HD22 LEU 104 12.317 -2.727 -24.821 844 3HD2 LEU 104 HD23 LEU 104 13.598 -3.061 -25.986 845 H GLU 105 HN GLU 105 8.437 -4.265 -26.221 846 HA GLU 105 HA GLU 105 7.875 -6.818 -27.470 847 1HB GLU 105 HB2 GLU 105 6.115 -5.640 -26.195 848 2HB GLU 105 HB1 GLU 105 6.196 -4.301 -27.330 849 1HG GLU 105 HG2 GLU 105 5.453 -5.778 -29.128 850 2HG GLU 105 HG1 GLU 105 5.373 -7.120 -27.990 851 H HIS 106 HN HIS 106 9.197 -7.002 -29.216 852 HA HIS 106 HA HIS 106 10.080 -6.660 -31.283 853 1HB HIS 106 HB2 HIS 106 7.347 -5.440 -31.733 854 2HB HIS 106 HB1 HIS 106 8.485 -5.826 -33.020 855 HD1 HIS 106 HD1 HIS 106 8.451 -8.178 -33.904 856 HD2 HIS 106 HD2 HIS 106 6.376 -7.779 -30.317 857 HE1 HIS 106 HE1 HIS 106 7.322 -10.390 -33.518 858 HE2 HIS 106 HE2 HIS 106 6.214 -10.180 -31.265 859 H HIS 107 HN HIS 107 11.327 -5.055 -29.822 860 HA HIS 107 HA HIS 107 12.519 -3.139 -29.656 861 1HB HIS 107 HB2 HIS 107 11.165 -2.423 -32.261 862 2HB HIS 107 HB1 HIS 107 12.391 -1.424 -31.486 863 HD1 HIS 107 HD1 HIS 107 12.364 -3.280 -34.276 864 HD2 HIS 107 HD2 HIS 107 14.595 -3.720 -30.788 865 HE1 HIS 107 HE1 HIS 107 14.398 -4.608 -34.929 866 HE2 HIS 107 HE2 HIS 107 15.724 -4.889 -32.801 867 H HIS 108 HN HIS 108 11.986 -1.983 -27.977 868 HA HIS 108 HA HIS 108 9.269 -1.086 -27.588 869 1HB HIS 108 HB2 HIS 108 10.581 -2.115 -25.757 870 2HB HIS 108 HB1 HIS 108 11.706 -0.766 -25.823 871 HD1 HIS 108 HD1 HIS 108 11.335 0.650 -23.853 872 HD2 HIS 108 HD2 HIS 108 7.758 -0.806 -25.393 873 HE1 HIS 108 HE1 HIS 108 9.526 1.632 -22.413 874 HE2 HIS 108 HE2 HIS 108 7.429 0.465 -23.163 875 H HIS 109 HN HIS 109 8.888 0.577 -28.993 876 HA HIS 109 HA HIS 109 9.806 3.165 -28.254 877 1HB HIS 109 HB2 HIS 109 11.806 2.506 -29.497 878 2HB HIS 109 HB1 HIS 109 10.821 2.076 -30.891 879 HD1 HIS 109 HD1 HIS 109 10.688 3.819 -32.619 880 HD2 HIS 109 HD2 HIS 109 11.465 5.439 -28.871 881 HE1 HIS 109 HE1 HIS 109 10.968 6.293 -32.993 882 HE2 HIS 109 HE2 HIS 109 11.150 7.270 -30.674 883 H HIS 110 HN HIS 110 8.006 1.025 -30.256 884 HA HIS 110 HA HIS 110 5.881 1.182 -31.038 885 1HB HIS 110 HB2 HIS 110 6.001 3.425 -29.325 886 2HB HIS 110 HB1 HIS 110 5.282 3.980 -30.833 887 HD1 HIS 110 HD1 HIS 110 2.939 3.144 -31.408 888 HD2 HIS 110 HD2 HIS 110 4.498 1.523 -27.911 889 HE1 HIS 110 HE1 HIS 110 1.009 1.994 -30.272 890 HE2 HIS 110 HE2 HIS 110 1.935 1.223 -28.056 891 H HIS 111 HN HIS 111 6.009 0.854 -33.148 892 HA HIS 111 HA HIS 111 6.353 3.232 -34.849 893 1HB HIS 111 HB2 HIS 111 7.672 0.616 -35.019 894 2HB HIS 111 HB1 HIS 111 6.930 1.134 -36.528 895 HD1 HIS 111 HD1 HIS 111 7.731 4.252 -35.374 896 HD2 HIS 111 HD2 HIS 111 10.108 1.043 -36.540 897 HE1 HIS 111 HE1 HIS 111 9.945 5.249 -36.028 898 HE2 HIS 111 HE2 HIS 111 11.286 3.311 -36.931 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -4.830 -0.372 5.591 2 2H MET 1 HT2 MET 1 -4.913 -1.511 4.339 3 3H MET 1 HT3 MET 1 -5.914 -1.670 5.689 4 HA MET 1 HA MET 1 -7.136 0.264 5.124 5 1HB MET 1 HB2 MET 1 -6.642 1.457 2.988 6 2HB MET 1 HB1 MET 1 -5.386 1.637 4.202 7 1HG MET 1 HG2 MET 1 -4.075 -0.110 3.058 8 2HG MET 1 HG1 MET 1 -5.317 -0.187 1.810 9 1HE MET 1 HE1 MET 1 -3.313 0.194 0.051 10 2HE MET 1 HE2 MET 1 -2.144 0.377 1.359 11 3HE MET 1 HE3 MET 1 -2.243 1.594 0.088 12 H PHE 2 HN PHE 2 -9.019 -0.444 4.437 13 HA PHE 2 HA PHE 2 -9.162 -2.059 1.985 14 1HB PHE 2 HB2 PHE 2 -10.745 -2.626 4.507 15 2HB PHE 2 HB1 PHE 2 -10.838 -3.521 2.995 16 HD1 PHE 2 HD2 PHE 2 -8.884 -4.889 2.265 17 HD2 PHE 2 HD1 PHE 2 -9.100 -3.101 6.121 18 HE1 PHE 2 HE2 PHE 2 -7.129 -6.414 3.067 19 HE2 PHE 2 HE1 PHE 2 -7.346 -4.623 6.929 20 HZ PHE 2 HZ PHE 2 -6.359 -6.285 5.400 21 H THR 3 HN THR 3 -11.241 -1.822 0.879 22 HA THR 3 HA THR 3 -12.507 0.722 1.620 23 HB THR 3 HB THR 3 -13.092 -0.492 -1.018 24 HG1 THR 3 HG1 THR 3 -11.101 0.218 -1.872 25 1HG2 THR 3 HG21 THR 3 -12.938 1.843 -1.727 26 2HG2 THR 3 HG22 THR 3 -12.383 2.299 -0.116 27 3HG2 THR 3 HG23 THR 3 -14.015 1.670 -0.341 28 H ALA 4 HN ALA 4 -14.446 0.657 2.496 29 HA ALA 4 HA ALA 4 -16.220 -1.608 1.853 30 1HB ALA 4 HB1 ALA 4 -15.536 -1.613 4.203 31 2HB ALA 4 HB2 ALA 4 -17.262 -1.292 4.038 32 3HB ALA 4 HB3 ALA 4 -16.149 0.030 4.386 33 H LYS 5 HN LYS 5 -18.144 -1.138 0.986 34 HA LYS 5 HA LYS 5 -19.106 1.638 1.107 35 1HB LYS 5 HB2 LYS 5 -18.105 1.386 -1.079 36 2HB LYS 5 HB1 LYS 5 -18.954 -0.131 -1.341 37 1HG LYS 5 HG2 LYS 5 -21.092 1.082 -1.330 38 2HG LYS 5 HG1 LYS 5 -20.212 2.597 -1.127 39 1HD LYS 5 HD2 LYS 5 -20.868 2.178 -3.473 40 2HD LYS 5 HD1 LYS 5 -19.118 2.291 -3.264 41 1HE LYS 5 HE2 LYS 5 -18.874 -0.071 -3.389 42 2HE LYS 5 HE1 LYS 5 -20.617 -0.317 -3.320 43 1HZ LYS 5 HZ1 LYS 5 -19.146 0.998 -5.547 44 2HZ LYS 5 HZ2 LYS 5 -20.823 0.743 -5.478 45 3HZ LYS 5 HZ3 LYS 5 -19.766 -0.582 -5.563 46 H LEU 6 HN LEU 6 -21.215 1.824 1.611 47 HA LEU 6 HA LEU 6 -22.775 -0.439 2.298 48 1HB LEU 6 HB2 LEU 6 -23.046 2.440 2.394 49 2HB LEU 6 HB1 LEU 6 -24.539 1.690 1.869 50 HG LEU 6 HG LEU 6 -23.076 1.222 4.456 51 1HD1 LEU 6 HD11 LEU 6 -25.804 2.321 3.829 52 2HD1 LEU 6 HD12 LEU 6 -24.405 3.251 4.363 53 3HD1 LEU 6 HD13 LEU 6 -25.142 2.067 5.443 54 1HD2 LEU 6 HD21 LEU 6 -23.916 -0.914 3.660 55 2HD2 LEU 6 HD22 LEU 6 -25.502 -0.199 3.362 56 3HD2 LEU 6 HD23 LEU 6 -24.894 -0.341 5.011 57 H ILE 7 HN ILE 7 -23.956 -1.722 1.037 58 HA ILE 7 HA ILE 7 -24.606 -0.765 -1.669 59 HB ILE 7 HB ILE 7 -24.617 -3.058 -2.413 60 1HG1 ILE 7 HG12 ILE 7 -23.916 -3.835 0.424 61 2HG1 ILE 7 HG11 ILE 7 -25.491 -4.075 -0.322 62 1HG2 ILE 7 HG21 ILE 7 -22.167 -2.475 -0.776 63 2HG2 ILE 7 HG22 ILE 7 -22.494 -1.889 -2.407 64 3HG2 ILE 7 HG23 ILE 7 -22.267 -3.614 -2.117 65 1HD1 ILE 7 HD11 ILE 7 -24.435 -5.548 -1.991 66 2HD1 ILE 7 HD12 ILE 7 -24.260 -6.136 -0.337 67 3HD1 ILE 7 HD13 ILE 7 -22.898 -5.358 -1.147 68 H LYS 8 HN LYS 8 -25.891 -1.696 1.323 69 HA LYS 8 HA LYS 8 -28.594 -1.758 0.172 70 1HB LYS 8 HB2 LYS 8 -27.517 -3.483 2.411 71 2HB LYS 8 HB1 LYS 8 -29.221 -3.347 2.006 72 1HG LYS 8 HG2 LYS 8 -28.826 -4.319 -0.168 73 2HG LYS 8 HG1 LYS 8 -27.086 -4.358 0.139 74 1HD LYS 8 HD2 LYS 8 -27.392 -5.933 1.938 75 2HD LYS 8 HD1 LYS 8 -29.146 -5.811 1.796 76 1HE LYS 8 HE2 LYS 8 -27.288 -6.869 -0.332 77 2HE LYS 8 HE1 LYS 8 -28.259 -7.857 0.758 78 1HZ LYS 8 HZ1 LYS 8 -30.228 -6.588 -0.183 79 2HZ LYS 8 HZ2 LYS 8 -29.491 -7.728 -1.201 80 3HZ LYS 8 HZ3 LYS 8 -29.180 -6.073 -1.415 81 H GLY 9 HN GLY 9 -29.988 -0.370 1.108 82 1HA GLY 9 HA2 GLY 9 -30.966 0.509 3.136 83 2HA GLY 9 HA1 GLY 9 -29.349 0.600 3.814 84 H LYS 10 HN LYS 10 -28.621 2.592 3.997 85 HA LYS 10 HA LYS 10 -29.001 4.602 1.983 86 1HB LYS 10 HB2 LYS 10 -31.228 4.608 3.044 87 2HB LYS 10 HB1 LYS 10 -30.481 4.854 4.615 88 1HG LYS 10 HG2 LYS 10 -31.268 6.960 3.964 89 2HG LYS 10 HG1 LYS 10 -29.531 7.007 3.665 90 1HD LYS 10 HD2 LYS 10 -30.739 8.012 1.811 91 2HD LYS 10 HD1 LYS 10 -29.942 6.525 1.289 92 1HE LYS 10 HE2 LYS 10 -32.015 5.310 1.417 93 2HE LYS 10 HE1 LYS 10 -32.836 6.704 2.115 94 1HZ LYS 10 HZ1 LYS 10 -33.268 6.371 -0.285 95 2HZ LYS 10 HZ2 LYS 10 -31.630 6.674 -0.599 96 3HZ LYS 10 HZ3 LYS 10 -32.603 7.890 0.077 97 H THR 11 HN THR 11 -28.592 4.310 5.510 98 HA THR 11 HA THR 11 -25.899 5.360 5.349 99 HB THR 11 HB THR 11 -27.990 6.842 6.965 100 HG1 THR 11 HG1 THR 11 -27.311 7.067 4.370 101 1HG2 THR 11 HG21 THR 11 -25.765 6.874 7.975 102 2HG2 THR 11 HG22 THR 11 -26.194 8.466 7.348 103 3HG2 THR 11 HG23 THR 11 -25.075 7.438 6.454 104 H TYR 12 HN TYR 12 -24.724 4.196 6.729 105 HA TYR 12 HA TYR 12 -25.959 3.226 9.215 106 1HB TYR 12 HB2 TYR 12 -25.926 1.471 7.350 107 2HB TYR 12 HB1 TYR 12 -24.173 1.503 7.489 108 HD1 TYR 12 HD1 TYR 12 -23.160 0.908 9.775 109 HD2 TYR 12 HD2 TYR 12 -27.207 0.112 8.742 110 HE1 TYR 12 HE1 TYR 12 -23.279 -0.765 11.569 111 HE2 TYR 12 HE2 TYR 12 -27.342 -1.561 10.539 112 HH TYR 12 HH TYR 12 -25.583 -3.072 11.777 113 H ASN 13 HN ASN 13 -24.715 3.671 10.922 114 HA ASN 13 HA ASN 13 -21.976 4.587 10.439 115 1HB ASN 13 HB2 ASN 13 -23.423 6.136 11.652 116 2HB ASN 13 HB1 ASN 13 -23.779 4.899 12.852 117 1HD2 ASN 13 HD21 ASN 13 -21.453 7.181 11.688 118 2HD2 ASN 13 HD22 ASN 13 -20.370 7.074 13.033 119 H VAL 14 HN VAL 14 -20.362 3.215 10.803 120 HA VAL 14 HA VAL 14 -20.831 0.990 12.681 121 HB VAL 14 HB VAL 14 -18.798 1.046 10.449 122 1HG1 VAL 14 HG11 VAL 14 -18.728 -1.379 10.813 123 2HG1 VAL 14 HG12 VAL 14 -19.867 -1.205 12.149 124 3HG1 VAL 14 HG13 VAL 14 -18.261 -0.483 12.259 125 1HG2 VAL 14 HG21 VAL 14 -21.027 1.163 9.487 126 2HG2 VAL 14 HG22 VAL 14 -21.536 -0.217 10.460 127 3HG2 VAL 14 HG23 VAL 14 -20.310 -0.425 9.208 128 H MET 15 HN MET 15 -20.012 1.643 14.573 129 HA MET 15 HA MET 15 -18.398 1.821 16.167 130 1HB MET 15 HB2 MET 15 -17.081 0.343 14.568 131 2HB MET 15 HB1 MET 15 -16.315 1.815 13.989 132 1HG MET 15 HG2 MET 15 -14.832 0.908 15.553 133 2HG MET 15 HG1 MET 15 -15.632 2.239 16.388 134 1HE MET 15 HE1 MET 15 -16.635 -2.217 17.024 135 2HE MET 15 HE2 MET 15 -15.362 -1.631 15.953 136 3HE MET 15 HE3 MET 15 -17.055 -1.336 15.554 137 H GLY 16 HN GLY 16 -19.092 4.063 13.903 138 1HA GLY 16 HA2 GLY 16 -18.891 6.390 14.931 139 2HA GLY 16 HA1 GLY 16 -17.167 6.040 14.938 140 H ILE 17 HN ILE 17 -17.346 4.563 12.398 141 HA ILE 17 HA ILE 17 -17.139 6.849 10.633 142 HB ILE 17 HB ILE 17 -16.679 3.898 10.123 143 1HG1 ILE 17 HG12 ILE 17 -14.305 4.659 9.779 144 2HG1 ILE 17 HG11 ILE 17 -14.780 6.249 10.361 145 1HG2 ILE 17 HG21 ILE 17 -15.776 4.580 7.935 146 2HG2 ILE 17 HG22 ILE 17 -16.328 6.228 8.243 147 3HG2 ILE 17 HG23 ILE 17 -17.499 4.918 8.092 148 1HD1 ILE 17 HD11 ILE 17 -14.849 3.681 11.927 149 2HD1 ILE 17 HD12 ILE 17 -15.368 5.256 12.526 150 3HD1 ILE 17 HD13 ILE 17 -13.678 4.988 12.099 151 H THR 18 HN THR 18 -18.774 7.615 9.504 152 HA THR 18 HA THR 18 -21.251 6.102 9.385 153 HB THR 18 HB THR 18 -20.782 8.906 8.367 154 HG1 THR 18 HG1 THR 18 -20.167 8.892 10.531 155 1HG2 THR 18 HG21 THR 18 -23.177 9.161 8.826 156 2HG2 THR 18 HG22 THR 18 -23.254 7.483 9.365 157 3HG2 THR 18 HG23 THR 18 -22.883 7.853 7.680 158 H PHE 19 HN PHE 19 -21.587 4.786 7.727 159 HA PHE 19 HA PHE 19 -20.447 5.436 5.104 160 1HB PHE 19 HB2 PHE 19 -21.773 2.898 6.088 161 2HB PHE 19 HB1 PHE 19 -21.069 3.126 4.492 162 HD1 PHE 19 HD2 PHE 19 -18.643 3.290 4.221 163 HD2 PHE 19 HD1 PHE 19 -20.422 2.482 7.999 164 HE1 PHE 19 HE2 PHE 19 -16.472 2.510 5.071 165 HE2 PHE 19 HE1 PHE 19 -18.252 1.700 8.857 166 HZ PHE 19 HZ PHE 19 -16.277 1.712 7.393 167 H ARG 20 HN ARG 20 -21.728 5.772 3.329 168 HA ARG 20 HA ARG 20 -24.634 5.575 3.723 169 1HB ARG 20 HB2 ARG 20 -23.141 7.681 2.142 170 2HB ARG 20 HB1 ARG 20 -24.887 7.476 2.134 171 1HG ARG 20 HG2 ARG 20 -24.785 7.825 4.650 172 2HG ARG 20 HG1 ARG 20 -23.127 8.368 4.395 173 1HD ARG 20 HD2 ARG 20 -25.565 9.547 3.073 174 2HD ARG 20 HD1 ARG 20 -24.756 10.223 4.483 175 HE ARG 20 HE ARG 20 -22.735 10.255 2.847 176 1HH1 ARG 20 HH11 ARG 20 -26.071 10.913 2.061 177 2HH1 ARG 20 HH12 ARG 20 -25.695 12.044 0.792 178 1HH2 ARG 20 HH21 ARG 20 -22.227 11.760 1.175 179 2HH2 ARG 20 HH22 ARG 20 -23.515 12.521 0.300 180 H ALA 21 HN ALA 21 -25.793 4.668 2.054 181 HA ALA 21 HA ALA 21 -24.578 2.751 0.476 182 1HB ALA 21 HB1 ALA 21 -27.197 4.144 -0.065 183 2HB ALA 21 HB2 ALA 21 -26.960 2.763 1.009 184 3HB ALA 21 HB3 ALA 21 -26.688 2.590 -0.725 185 H GLY 22 HN GLY 22 -23.152 2.981 -1.082 186 1HA GLY 22 HA2 GLY 22 -22.819 3.584 -3.414 187 2HA GLY 22 HA1 GLY 22 -23.571 5.130 -3.058 188 H VAL 23 HN VAL 23 -21.841 4.873 -0.421 189 HA VAL 23 HA VAL 23 -19.554 6.264 -1.640 190 HB VAL 23 HB VAL 23 -20.546 6.406 1.212 191 1HG1 VAL 23 HG11 VAL 23 -18.158 6.845 1.027 192 2HG1 VAL 23 HG12 VAL 23 -19.038 8.321 1.420 193 3HG1 VAL 23 HG13 VAL 23 -18.464 8.048 -0.226 194 1HG2 VAL 23 HG21 VAL 23 -22.157 7.396 -0.309 195 2HG2 VAL 23 HG22 VAL 23 -20.885 8.354 -1.068 196 3HG2 VAL 23 HG23 VAL 23 -21.336 8.658 0.610 197 H SER 24 HN SER 24 -17.866 4.940 -1.906 198 HA SER 24 HA SER 24 -17.178 2.855 -0.055 199 1HB SER 24 HB2 SER 24 -15.519 4.070 -2.282 200 2HB SER 24 HB1 SER 24 -15.226 2.527 -1.482 201 HG SER 24 HG SER 24 -16.289 2.005 -3.307 202 H GLN 25 HN GLN 25 -15.693 2.907 1.583 203 HA GLN 25 HA GLN 25 -13.978 5.263 1.886 204 1HB GLN 25 HB2 GLN 25 -15.922 4.275 3.975 205 2HB GLN 25 HB1 GLN 25 -14.554 5.311 4.356 206 1HG GLN 25 HG2 GLN 25 -15.444 7.029 2.859 207 2HG GLN 25 HG1 GLN 25 -16.821 5.991 2.494 208 1HE2 GLN 25 HE21 GLN 25 -18.387 5.658 4.060 209 2HE2 GLN 25 HE22 GLN 25 -18.550 6.687 5.441 210 H THR 26 HN THR 26 -12.139 4.913 3.209 211 HA THR 26 HA THR 26 -11.230 2.175 3.190 212 HB THR 26 HB THR 26 -9.116 3.291 4.158 213 HG1 THR 26 HG1 THR 26 -10.224 5.243 4.791 214 1HG2 THR 26 HG21 THR 26 -8.432 4.087 1.949 215 2HG2 THR 26 HG22 THR 26 -10.118 4.130 1.434 216 3HG2 THR 26 HG23 THR 26 -9.351 2.588 1.813 217 H VAL 27 HN VAL 27 -11.279 0.822 4.862 218 HA VAL 27 HA VAL 27 -11.848 1.934 7.534 219 HB VAL 27 HB VAL 27 -13.157 -0.037 8.034 220 1HG1 VAL 27 HG11 VAL 27 -14.304 1.843 7.020 221 2HG1 VAL 27 HG12 VAL 27 -15.035 0.322 6.512 222 3HG1 VAL 27 HG13 VAL 27 -13.970 1.199 5.413 223 1HG2 VAL 27 HG21 VAL 27 -11.954 -1.684 6.700 224 2HG2 VAL 27 HG22 VAL 27 -12.540 -0.930 5.218 225 3HG2 VAL 27 HG23 VAL 27 -13.675 -1.715 6.315 226 HA PRO 28 HA PRO 28 -8.374 -0.330 9.172 227 1HB PRO 28 HB2 PRO 28 -9.909 -0.668 11.651 228 2HB PRO 28 HB1 PRO 28 -8.439 0.266 11.373 229 1HG PRO 28 HG2 PRO 28 -10.793 1.459 11.827 230 2HG PRO 28 HG1 PRO 28 -9.610 2.146 10.696 231 1HD PRO 28 HD2 PRO 28 -12.062 0.513 10.106 232 2HD PRO 28 HD1 PRO 28 -11.489 2.002 9.320 233 H LYS 29 HN LYS 29 -7.832 -2.293 10.386 234 HA LYS 29 HA LYS 29 -8.740 -4.679 9.409 235 1HB LYS 29 HB2 LYS 29 -6.663 -4.388 10.648 236 2HB LYS 29 HB1 LYS 29 -7.558 -4.053 12.119 237 1HG LYS 29 HG2 LYS 29 -8.458 -6.373 12.018 238 2HG LYS 29 HG1 LYS 29 -7.368 -6.674 10.658 239 1HD LYS 29 HD2 LYS 29 -5.455 -6.062 12.079 240 2HD LYS 29 HD1 LYS 29 -6.555 -5.808 13.433 241 1HE LYS 29 HE2 LYS 29 -7.245 -8.179 13.257 242 2HE LYS 29 HE1 LYS 29 -6.036 -8.400 11.989 243 1HZ LYS 29 HZ1 LYS 29 -4.350 -7.634 13.643 244 2HZ LYS 29 HZ2 LYS 29 -5.079 -9.117 14.014 245 3HZ LYS 29 HZ3 LYS 29 -5.552 -7.711 14.838 246 H LYS 30 HN LYS 30 -9.772 -3.087 12.413 247 HA LYS 30 HA LYS 30 -11.498 -5.055 13.360 248 1HB LYS 30 HB2 LYS 30 -11.363 -2.086 13.737 249 2HB LYS 30 HB1 LYS 30 -12.679 -3.011 14.449 250 1HG LYS 30 HG2 LYS 30 -9.780 -3.652 14.905 251 2HG LYS 30 HG1 LYS 30 -10.723 -2.588 15.951 252 1HD LYS 30 HD2 LYS 30 -12.250 -4.360 16.489 253 2HD LYS 30 HD1 LYS 30 -11.507 -5.426 15.295 254 1HE LYS 30 HE2 LYS 30 -10.028 -4.312 17.667 255 2HE LYS 30 HE1 LYS 30 -10.885 -5.852 17.702 256 1HZ LYS 30 HZ1 LYS 30 -8.618 -5.139 15.915 257 2HZ LYS 30 HZ2 LYS 30 -9.478 -6.599 15.852 258 3HZ LYS 30 HZ3 LYS 30 -8.571 -6.211 17.231 259 H LEU 31 HN LEU 31 -12.324 -2.208 11.374 260 HA LEU 31 HA LEU 31 -15.083 -2.841 11.297 261 1HB LEU 31 HB2 LEU 31 -13.439 -1.057 9.516 262 2HB LEU 31 HB1 LEU 31 -15.189 -1.154 9.472 263 HG LEU 31 HG LEU 31 -13.469 -0.118 11.719 264 1HD1 LEU 31 HD11 LEU 31 -13.848 1.433 9.876 265 2HD1 LEU 31 HD12 LEU 31 -14.705 1.952 11.329 266 3HD1 LEU 31 HD13 LEU 31 -15.589 1.179 10.014 267 1HD2 LEU 31 HD21 LEU 31 -15.541 0.269 12.949 268 2HD2 LEU 31 HD22 LEU 31 -15.296 -1.451 12.644 269 3HD2 LEU 31 HD23 LEU 31 -16.454 -0.541 11.676 270 H TYR 32 HN TYR 32 -12.374 -3.629 9.213 271 HA TYR 32 HA TYR 32 -13.797 -4.548 6.985 272 1HB TYR 32 HB2 TYR 32 -11.354 -4.183 7.014 273 2HB TYR 32 HB1 TYR 32 -11.166 -5.574 8.076 274 HD1 TYR 32 HD2 TYR 32 -12.656 -4.707 4.756 275 HD2 TYR 32 HD1 TYR 32 -10.608 -7.599 7.114 276 HE1 TYR 32 HE2 TYR 32 -12.459 -6.167 2.788 277 HE2 TYR 32 HE1 TYR 32 -10.406 -9.067 5.151 278 HH TYR 32 HH TYR 32 -11.454 -9.435 3.003 279 H GLU 33 HN GLU 33 -12.857 -6.189 9.974 280 HA GLU 33 HA GLU 33 -13.979 -8.709 9.139 281 1HB GLU 33 HB2 GLU 33 -12.019 -8.456 10.698 282 2HB GLU 33 HB1 GLU 33 -13.133 -7.845 11.911 283 1HG GLU 33 HG2 GLU 33 -14.281 -9.935 12.009 284 2HG GLU 33 HG1 GLU 33 -13.362 -10.559 10.639 285 H TYR 34 HN TYR 34 -14.914 -6.018 11.199 286 HA TYR 34 HA TYR 34 -17.209 -7.133 12.361 287 1HB TYR 34 HB2 TYR 34 -15.933 -4.899 12.845 288 2HB TYR 34 HB1 TYR 34 -17.039 -4.219 11.656 289 HD1 TYR 34 HD2 TYR 34 -16.842 -5.920 14.924 290 HD2 TYR 34 HD1 TYR 34 -19.307 -3.742 12.225 291 HE1 TYR 34 HE2 TYR 34 -18.530 -5.659 16.690 292 HE2 TYR 34 HE1 TYR 34 -21.003 -3.473 13.987 293 HH TYR 34 HH TYR 34 -20.371 -4.164 17.268 294 H LEU 35 HN LEU 35 -16.724 -5.389 9.323 295 HA LEU 35 HA LEU 35 -19.529 -5.588 8.639 296 1HB LEU 35 HB2 LEU 35 -17.164 -4.611 7.039 297 2HB LEU 35 HB1 LEU 35 -18.835 -4.531 6.509 298 HG LEU 35 HG LEU 35 -17.666 -3.095 8.893 299 1HD1 LEU 35 HD11 LEU 35 -18.604 -2.079 6.215 300 2HD1 LEU 35 HD12 LEU 35 -16.939 -2.134 6.792 301 3HD1 LEU 35 HD13 LEU 35 -18.108 -1.073 7.577 302 1HD2 LEU 35 HD21 LEU 35 -20.455 -3.041 7.744 303 2HD2 LEU 35 HD22 LEU 35 -19.852 -1.994 9.029 304 3HD2 LEU 35 HD23 LEU 35 -19.977 -3.733 9.295 305 H ASN 36 HN ASN 36 -16.666 -7.441 8.202 306 HA ASN 36 HA ASN 36 -17.374 -8.937 5.931 307 1HB ASN 36 HB2 ASN 36 -15.133 -9.042 6.927 308 2HB ASN 36 HB1 ASN 36 -15.793 -9.797 8.371 309 1HD2 ASN 36 HD21 ASN 36 -16.212 -11.972 8.379 310 2HD2 ASN 36 HD22 ASN 36 -15.789 -13.014 7.058 311 H GLU 37 HN GLU 37 -18.314 -9.132 9.296 312 HA GLU 37 HA GLU 37 -19.876 -11.536 8.858 313 1HB GLU 37 HB2 GLU 37 -19.841 -9.712 11.262 314 2HB GLU 37 HB1 GLU 37 -20.528 -11.329 11.188 315 1HG GLU 37 HG2 GLU 37 -17.651 -10.510 11.138 316 2HG GLU 37 HG1 GLU 37 -18.474 -11.588 12.264 317 H ASN 38 HN ASN 38 -20.402 -8.497 7.845 318 HA ASN 38 HA ASN 38 -23.316 -8.794 8.113 319 1HB ASN 38 HB2 ASN 38 -21.707 -6.280 8.549 320 2HB ASN 38 HB1 ASN 38 -23.430 -6.245 8.188 321 1HD2 ASN 38 HD21 ASN 38 -21.010 -6.924 10.560 322 2HD2 ASN 38 HD22 ASN 38 -22.094 -7.211 11.877 323 HA PRO 39 HA PRO 39 -22.159 -8.689 3.763 324 1HB PRO 39 HB2 PRO 39 -24.564 -10.163 3.190 325 2HB PRO 39 HB1 PRO 39 -22.895 -10.730 3.177 326 1HG PRO 39 HG2 PRO 39 -24.787 -11.535 4.994 327 2HG PRO 39 HG1 PRO 39 -23.041 -11.575 5.291 328 1HD PRO 39 HD2 PRO 39 -25.076 -9.581 6.189 329 2HD PRO 39 HD1 PRO 39 -23.672 -10.238 7.058 330 H TYR 40 HN TYR 40 -23.851 -6.462 4.940 331 HA TYR 40 HA TYR 40 -25.297 -5.930 2.437 332 1HB TYR 40 HB2 TYR 40 -26.469 -4.084 3.772 333 2HB TYR 40 HB1 TYR 40 -26.962 -5.745 4.036 334 HD1 TYR 40 HD1 TYR 40 -26.195 -6.919 6.125 335 HD2 TYR 40 HD2 TYR 40 -25.691 -2.734 5.541 336 HE1 TYR 40 HE1 TYR 40 -25.978 -6.609 8.555 337 HE2 TYR 40 HE2 TYR 40 -25.458 -2.419 7.967 338 HH TYR 40 HH TYR 40 -26.387 -3.836 10.074 339 H PHE 41 HN PHE 41 -22.454 -5.470 3.718 340 HA PHE 41 HA PHE 41 -22.093 -2.916 2.291 341 1HB PHE 41 HB2 PHE 41 -20.401 -4.250 4.420 342 2HB PHE 41 HB1 PHE 41 -19.824 -2.910 3.441 343 HD1 PHE 41 HD2 PHE 41 -22.406 -3.881 5.917 344 HD2 PHE 41 HD1 PHE 41 -20.291 -0.706 4.032 345 HE1 PHE 41 HE2 PHE 41 -23.335 -2.294 7.554 346 HE2 PHE 41 HE1 PHE 41 -21.212 0.882 5.666 347 HZ PHE 41 HZ PHE 41 -22.736 0.090 7.430 348 H ILE 42 HN ILE 42 -20.579 -2.922 0.565 349 HA ILE 42 HA ILE 42 -19.541 -5.570 -0.119 350 HB ILE 42 HB ILE 42 -20.637 -4.208 -1.916 351 1HG1 ILE 42 HG12 ILE 42 -18.871 -4.656 -3.622 352 2HG1 ILE 42 HG11 ILE 42 -17.738 -4.968 -2.310 353 1HG2 ILE 42 HG21 ILE 42 -19.828 -1.999 -1.297 354 2HG2 ILE 42 HG22 ILE 42 -19.387 -2.387 -2.961 355 3HG2 ILE 42 HG23 ILE 42 -18.177 -2.486 -1.681 356 1HD1 ILE 42 HD11 ILE 42 -18.596 -7.035 -3.226 357 2HD1 ILE 42 HD12 ILE 42 -20.248 -6.518 -2.892 358 3HD1 ILE 42 HD13 ILE 42 -19.135 -6.828 -1.559 359 H LEU 43 HN LEU 43 -17.580 -6.140 0.363 360 HA LEU 43 HA LEU 43 -15.689 -4.104 1.299 361 1HB LEU 43 HB2 LEU 43 -15.854 -7.072 1.834 362 2HB LEU 43 HB1 LEU 43 -14.573 -6.030 2.428 363 HG LEU 43 HG LEU 43 -17.445 -5.460 3.092 364 1HD1 LEU 43 HD11 LEU 43 -15.581 -7.249 4.639 365 2HD1 LEU 43 HD12 LEU 43 -17.003 -7.778 3.737 366 3HD1 LEU 43 HD13 LEU 43 -17.191 -6.726 5.140 367 1HD2 LEU 43 HD21 LEU 43 -15.829 -3.700 3.530 368 2HD2 LEU 43 HD22 LEU 43 -14.822 -4.828 4.436 369 3HD2 LEU 43 HD23 LEU 43 -16.415 -4.385 5.047 370 H THR 44 HN THR 44 -14.189 -3.559 -0.110 371 HA THR 44 HA THR 44 -13.149 -5.651 -1.901 372 HB THR 44 HB THR 44 -13.602 -2.753 -2.653 373 HG1 THR 44 HG1 THR 44 -15.301 -4.818 -2.568 374 1HG2 THR 44 HG21 THR 44 -13.072 -3.505 -4.924 375 2HG2 THR 44 HG22 THR 44 -12.762 -5.132 -4.321 376 3HG2 THR 44 HG23 THR 44 -11.717 -3.797 -3.833 377 H GLN 45 HN GLN 45 -11.061 -5.958 -1.668 378 HA GLN 45 HA GLN 45 -9.455 -3.978 -0.276 379 1HB GLN 45 HB2 GLN 45 -7.679 -5.757 -0.347 380 2HB GLN 45 HB1 GLN 45 -9.131 -6.197 0.531 381 1HG GLN 45 HG2 GLN 45 -8.652 -7.022 -2.318 382 2HG GLN 45 HG1 GLN 45 -8.100 -7.972 -0.941 383 1HE2 GLN 45 HE21 GLN 45 -9.639 -8.962 0.398 384 2HE2 GLN 45 HE22 GLN 45 -11.263 -9.232 -0.126 385 H GLU 46 HN GLU 46 -8.777 -2.386 -1.509 386 HA GLU 46 HA GLU 46 -7.899 -2.983 -4.245 387 1HB GLU 46 HB2 GLU 46 -8.748 -0.363 -2.995 388 2HB GLU 46 HB1 GLU 46 -8.249 -0.575 -4.669 389 1HG GLU 46 HG2 GLU 46 -10.132 -2.038 -5.078 390 2HG GLU 46 HG1 GLU 46 -10.615 -1.926 -3.387 391 H LEU 47 HN LEU 47 -5.856 -2.662 -4.844 392 HA LEU 47 HA LEU 47 -3.933 -2.406 -2.744 393 1HB LEU 47 HB2 LEU 47 -3.586 -2.731 -5.722 394 2HB LEU 47 HB1 LEU 47 -2.275 -2.772 -4.561 395 HG LEU 47 HG LEU 47 -4.571 -4.730 -4.684 396 1HD1 LEU 47 HD11 LEU 47 -3.012 -4.992 -6.538 397 2HD1 LEU 47 HD12 LEU 47 -2.864 -6.330 -5.398 398 3HD1 LEU 47 HD13 LEU 47 -1.660 -5.041 -5.408 399 1HD2 LEU 47 HD21 LEU 47 -2.126 -4.662 -2.918 400 2HD2 LEU 47 HD22 LEU 47 -3.297 -5.978 -3.000 401 3HD2 LEU 47 HD23 LEU 47 -3.792 -4.394 -2.405 402 H ASN 48 HN ASN 48 -3.379 -0.530 -1.953 403 HA ASN 48 HA ASN 48 -2.358 1.485 -1.784 404 1HB ASN 48 HB2 ASN 48 -1.876 1.065 -4.734 405 2HB ASN 48 HB1 ASN 48 -1.267 2.457 -3.848 406 1HD2 ASN 48 HD21 ASN 48 0.838 1.842 -4.362 407 2HD2 ASN 48 HD22 ASN 48 1.634 0.535 -3.544 408 H ASN 49 HN ASN 49 -5.260 1.068 -2.821 409 HA ASN 49 HA ASN 49 -5.724 3.686 -4.008 410 1HB ASN 49 HB2 ASN 49 -7.491 1.294 -3.538 411 2HB ASN 49 HB1 ASN 49 -8.157 2.854 -4.010 412 1HD2 ASN 49 HD21 ASN 49 -5.926 3.587 -5.683 413 2HD2 ASN 49 HD22 ASN 49 -6.041 2.612 -7.111 414 H GLN 50 HN GLN 50 -7.088 5.243 -3.105 415 HA GLN 50 HA GLN 50 -7.593 4.984 -0.221 416 1HB GLN 50 HB2 GLN 50 -6.300 7.360 -1.587 417 2HB GLN 50 HB1 GLN 50 -6.749 7.278 0.112 418 1HG GLN 50 HG2 GLN 50 -5.146 5.480 0.462 419 2HG GLN 50 HG1 GLN 50 -4.710 5.524 -1.244 420 1HE2 GLN 50 HE21 GLN 50 -4.473 7.131 1.817 421 2HE2 GLN 50 HE22 GLN 50 -3.210 8.231 1.374 422 H LYS 51 HN LYS 51 -8.407 7.864 -0.200 423 HA LYS 51 HA LYS 51 -11.068 7.444 -1.233 424 1HB LYS 51 HB2 LYS 51 -10.669 8.596 0.951 425 2HB LYS 51 HB1 LYS 51 -9.953 9.939 0.066 426 1HG LYS 51 HG2 LYS 51 -12.044 10.391 -1.040 427 2HG LYS 51 HG1 LYS 51 -12.778 8.961 -0.312 428 1HD LYS 51 HD2 LYS 51 -12.386 9.981 1.927 429 2HD LYS 51 HD1 LYS 51 -11.823 11.441 1.112 430 1HE LYS 51 HE2 LYS 51 -14.548 10.218 0.704 431 2HE LYS 51 HE1 LYS 51 -14.212 11.515 1.847 432 1HZ LYS 51 HZ1 LYS 51 -13.683 12.985 0.112 433 2HZ LYS 51 HZ2 LYS 51 -15.094 12.203 -0.391 434 3HZ LYS 51 HZ3 LYS 51 -13.602 11.753 -1.049 435 H ASP 52 HN ASP 52 -10.289 7.222 -3.439 436 HA ASP 52 HA ASP 52 -9.525 9.638 -4.829 437 1HB ASP 52 HB2 ASP 52 -10.212 6.854 -5.798 438 2HB ASP 52 HB1 ASP 52 -9.785 8.175 -6.878 439 H ASP 53 HN ASP 53 -11.149 11.101 -4.671 440 HA ASP 53 HA ASP 53 -13.900 10.487 -4.794 441 1HB ASP 53 HB2 ASP 53 -12.366 13.065 -5.049 442 2HB ASP 53 HB1 ASP 53 -14.119 13.012 -5.195 443 HA PRO 54 HA PRO 54 -14.097 10.217 -9.279 444 1HB PRO 54 HB2 PRO 54 -16.766 9.182 -8.956 445 2HB PRO 54 HB1 PRO 54 -15.308 8.314 -9.437 446 1HG PRO 54 HG2 PRO 54 -16.632 7.914 -7.062 447 2HG PRO 54 HG1 PRO 54 -14.916 7.557 -7.320 448 1HD PRO 54 HD2 PRO 54 -16.186 9.928 -6.004 449 2HD PRO 54 HD1 PRO 54 -14.715 9.037 -5.552 450 H ILE 55 HN ILE 55 -15.335 11.207 -10.889 451 HA ILE 55 HA ILE 55 -16.415 12.900 -11.896 452 HB ILE 55 HB ILE 55 -18.326 11.413 -11.040 453 1HG1 ILE 55 HG12 ILE 55 -20.036 13.067 -11.813 454 2HG1 ILE 55 HG11 ILE 55 -18.779 14.301 -11.786 455 1HG2 ILE 55 HG21 ILE 55 -19.920 12.465 -9.515 456 2HG2 ILE 55 HG22 ILE 55 -18.778 13.779 -9.227 457 3HG2 ILE 55 HG23 ILE 55 -18.380 12.138 -8.719 458 1HD1 ILE 55 HD11 ILE 55 -19.149 13.439 -14.029 459 2HD1 ILE 55 HD12 ILE 55 -18.752 11.813 -13.475 460 3HD1 ILE 55 HD13 ILE 55 -17.520 13.075 -13.460 461 H ASN 56 HN ASN 56 -14.585 13.600 -9.746 462 HA ASN 56 HA ASN 56 -15.367 16.381 -9.447 463 1HB ASN 56 HB2 ASN 56 -16.232 15.334 -7.394 464 2HB ASN 56 HB1 ASN 56 -14.640 14.664 -7.057 465 1HD2 ASN 56 HD21 ASN 56 -14.467 15.718 -5.095 466 2HD2 ASN 56 HD22 ASN 56 -14.210 17.420 -4.979 467 H TYR 57 HN TYR 57 -13.672 16.820 -10.863 468 HA TYR 57 HA TYR 57 -11.008 16.707 -9.663 469 1HB TYR 57 HB2 TYR 57 -11.516 15.871 -12.530 470 2HB TYR 57 HB1 TYR 57 -9.967 15.886 -11.696 471 HD1 TYR 57 HD1 TYR 57 -9.520 14.209 -9.904 472 HD2 TYR 57 HD2 TYR 57 -13.012 14.040 -12.331 473 HE1 TYR 57 HE1 TYR 57 -9.875 11.872 -9.222 474 HE2 TYR 57 HE2 TYR 57 -13.377 11.706 -11.654 475 HH TYR 57 HH TYR 57 -11.788 10.277 -9.057 476 H THR 58 HN THR 58 -9.603 18.336 -10.434 477 HA THR 58 HA THR 58 -10.696 20.755 -11.274 478 HB THR 58 HB THR 58 -7.853 20.087 -11.850 479 HG1 THR 58 HG1 THR 58 -7.419 20.365 -9.598 480 1HG2 THR 58 HG21 THR 58 -9.222 22.486 -10.622 481 2HG2 THR 58 HG22 THR 58 -8.703 22.349 -12.302 482 3HG2 THR 58 HG23 THR 58 -7.506 22.358 -11.007 483 H GLU 59 HN GLU 59 -11.232 21.591 -13.191 484 HA GLU 59 HA GLU 59 -11.428 19.901 -15.420 485 1HB GLU 59 HB2 GLU 59 -12.139 21.856 -16.677 486 2HB GLU 59 HB1 GLU 59 -12.911 21.812 -15.104 487 1HG GLU 59 HG2 GLU 59 -11.251 23.461 -14.297 488 2HG GLU 59 HG1 GLU 59 -10.619 23.560 -15.939 489 H SER 60 HN SER 60 -9.024 22.301 -14.499 490 HA SER 60 HA SER 60 -7.497 22.135 -16.860 491 1HB SER 60 HB2 SER 60 -5.645 23.035 -15.432 492 2HB SER 60 HB1 SER 60 -7.136 23.970 -15.332 493 HG SER 60 HG SER 60 -5.817 22.547 -13.399 494 H GLU 61 HN GLU 61 -7.737 20.110 -13.964 495 HA GLU 61 HA GLU 61 -5.362 18.597 -14.604 496 1HB GLU 61 HB2 GLU 61 -7.732 17.835 -12.883 497 2HB GLU 61 HB1 GLU 61 -6.235 16.922 -12.999 498 1HG GLU 61 HG2 GLU 61 -6.576 19.700 -11.900 499 2HG GLU 61 HG1 GLU 61 -6.239 18.231 -10.988 500 H LEU 62 HN LEU 62 -8.790 18.313 -15.277 501 HA LEU 62 HA LEU 62 -8.603 15.773 -16.572 502 1HB LEU 62 HB2 LEU 62 -10.764 17.879 -16.570 503 2HB LEU 62 HB1 LEU 62 -10.934 16.302 -17.315 504 HG LEU 62 HG LEU 62 -10.362 16.686 -14.377 505 1HD1 LEU 62 HD11 LEU 62 -13.001 16.258 -15.775 506 2HD1 LEU 62 HD12 LEU 62 -12.507 17.694 -14.878 507 3HD1 LEU 62 HD13 LEU 62 -12.742 16.164 -14.032 508 1HD2 LEU 62 HD21 LEU 62 -11.346 14.313 -15.957 509 2HD2 LEU 62 HD22 LEU 62 -11.091 14.369 -14.213 510 3HD2 LEU 62 HD23 LEU 62 -9.718 14.520 -15.310 511 H LYS 63 HN LYS 63 -7.890 18.949 -17.536 512 HA LYS 63 HA LYS 63 -8.454 18.800 -20.296 513 1HB LYS 63 HB2 LYS 63 -6.547 20.453 -18.659 514 2HB LYS 63 HB1 LYS 63 -6.556 20.562 -20.415 515 1HG LYS 63 HG2 LYS 63 -8.966 21.035 -18.675 516 2HG LYS 63 HG1 LYS 63 -7.890 22.308 -19.254 517 1HD LYS 63 HD2 LYS 63 -8.423 21.715 -21.564 518 2HD LYS 63 HD1 LYS 63 -9.476 20.417 -20.997 519 1HE LYS 63 HE2 LYS 63 -10.966 21.987 -19.968 520 2HE LYS 63 HE1 LYS 63 -9.859 23.321 -20.288 521 1HZ LYS 63 HZ1 LYS 63 -11.291 21.725 -22.356 522 2HZ LYS 63 HZ2 LYS 63 -10.224 23.010 -22.659 523 3HZ LYS 63 HZ3 LYS 63 -11.693 23.295 -21.854 524 H GLY 64 HN GLY 64 -5.512 18.069 -18.439 525 1HA GLY 64 HA2 GLY 64 -4.252 17.009 -20.859 526 2HA GLY 64 HA1 GLY 64 -3.457 17.302 -19.320 527 H MET 65 HN MET 65 -6.287 15.412 -20.334 528 HA MET 65 HA MET 65 -4.971 12.974 -19.374 529 1HB MET 65 HB2 MET 65 -7.776 13.835 -18.622 530 2HB MET 65 HB1 MET 65 -7.109 12.237 -18.322 531 1HG MET 65 HG2 MET 65 -5.435 13.195 -16.846 532 2HG MET 65 HG1 MET 65 -6.058 14.812 -17.173 533 1HE MET 65 HE1 MET 65 -6.645 11.395 -15.359 534 2HE MET 65 HE2 MET 65 -7.932 11.388 -16.565 535 3HE MET 65 HE3 MET 65 -8.327 11.531 -14.852 536 H ASN 66 HN ASN 66 -6.039 11.007 -20.204 537 HA ASN 66 HA ASN 66 -7.158 11.496 -22.859 538 1HB ASN 66 HB2 ASN 66 -6.739 9.055 -23.218 539 2HB ASN 66 HB1 ASN 66 -5.289 9.981 -22.848 540 1HD2 ASN 66 HD21 ASN 66 -7.350 7.443 -21.913 541 2HD2 ASN 66 HD22 ASN 66 -6.499 6.967 -20.480 542 H LYS 67 HN LYS 67 -8.890 9.721 -23.512 543 HA LYS 67 HA LYS 67 -11.079 10.574 -21.878 544 1HB LYS 67 HB2 LYS 67 -12.528 9.725 -23.554 545 2HB LYS 67 HB1 LYS 67 -11.156 10.450 -24.376 546 1HG LYS 67 HG2 LYS 67 -10.219 8.287 -24.837 547 2HG LYS 67 HG1 LYS 67 -11.468 7.501 -23.867 548 1HD LYS 67 HD2 LYS 67 -13.175 8.397 -25.426 549 2HD LYS 67 HD1 LYS 67 -11.875 9.050 -26.424 550 1HE LYS 67 HE2 LYS 67 -12.638 6.947 -27.340 551 2HE LYS 67 HE1 LYS 67 -10.994 6.773 -26.727 552 1HZ LYS 67 HZ1 LYS 67 -13.421 5.973 -25.206 553 2HZ LYS 67 HZ2 LYS 67 -11.808 5.648 -24.809 554 3HZ LYS 67 HZ3 LYS 67 -12.508 4.912 -26.162 555 H ALA 68 HN ALA 68 -9.297 7.604 -22.140 556 HA ALA 68 HA ALA 68 -11.135 5.694 -21.412 557 1HB ALA 68 HB1 ALA 68 -8.852 5.159 -22.039 558 2HB ALA 68 HB2 ALA 68 -9.273 4.399 -20.504 559 3HB ALA 68 HB3 ALA 68 -8.259 5.843 -20.525 560 H GLU 69 HN GLU 69 -9.165 7.638 -19.156 561 HA GLU 69 HA GLU 69 -10.250 6.641 -16.796 562 1HB GLU 69 HB2 GLU 69 -9.095 9.348 -17.446 563 2HB GLU 69 HB1 GLU 69 -9.638 8.926 -15.830 564 1HG GLU 69 HG2 GLU 69 -7.373 8.508 -15.742 565 2HG GLU 69 HG1 GLU 69 -8.056 6.914 -16.046 566 H HIS 70 HN HIS 70 -11.257 9.521 -18.632 567 HA HIS 70 HA HIS 70 -13.407 10.351 -17.140 568 1HB HIS 70 HB2 HIS 70 -13.099 10.302 -20.145 569 2HB HIS 70 HB1 HIS 70 -14.412 11.130 -19.318 570 HD1 HIS 70 HD1 HIS 70 -13.895 13.367 -18.237 571 HD2 HIS 70 HD2 HIS 70 -10.565 11.525 -19.890 572 HE1 HIS 70 HE1 HIS 70 -12.117 15.122 -18.291 573 HE2 HIS 70 HE2 HIS 70 -10.213 14.064 -19.555 574 H GLU 71 HN GLU 71 -13.261 7.714 -19.471 575 HA GLU 71 HA GLU 71 -16.049 7.297 -19.634 576 1HB GLU 71 HB2 GLU 71 -13.782 5.384 -20.214 577 2HB GLU 71 HB1 GLU 71 -15.459 5.154 -20.698 578 1HG GLU 71 HG2 GLU 71 -15.344 7.181 -22.057 579 2HG GLU 71 HG1 GLU 71 -13.665 7.406 -21.577 580 H SER 72 HN SER 72 -13.530 5.745 -17.648 581 HA SER 72 HA SER 72 -15.394 3.937 -16.451 582 1HB SER 72 HB2 SER 72 -13.489 3.458 -14.875 583 2HB SER 72 HB1 SER 72 -13.103 3.243 -16.581 584 HG SER 72 HG SER 72 -11.759 4.645 -14.909 585 H ILE 73 HN ILE 73 -14.003 7.047 -15.554 586 HA ILE 73 HA ILE 73 -14.874 7.274 -12.926 587 HB ILE 73 HB ILE 73 -14.705 9.436 -15.037 588 1HG1 ILE 73 HG12 ILE 73 -12.768 8.740 -12.818 589 2HG1 ILE 73 HG11 ILE 73 -12.580 8.234 -14.494 590 1HG2 ILE 73 HG21 ILE 73 -14.637 11.033 -13.179 591 2HG2 ILE 73 HG22 ILE 73 -14.941 9.717 -12.044 592 3HG2 ILE 73 HG23 ILE 73 -16.165 10.154 -13.237 593 1HD1 ILE 73 HD11 ILE 73 -12.427 10.565 -15.188 594 2HD1 ILE 73 HD12 ILE 73 -11.201 10.172 -13.981 595 3HD1 ILE 73 HD13 ILE 73 -12.640 11.081 -13.514 596 H ILE 74 HN ILE 74 -16.588 8.441 -15.837 597 HA ILE 74 HA ILE 74 -18.869 9.165 -14.254 598 HB ILE 74 HB ILE 74 -18.927 9.047 -17.253 599 1HG1 ILE 74 HG12 ILE 74 -17.667 11.240 -15.581 600 2HG1 ILE 74 HG11 ILE 74 -16.778 10.109 -16.595 601 1HG2 ILE 74 HG21 ILE 74 -20.367 10.998 -16.963 602 2HG2 ILE 74 HG22 ILE 74 -20.095 10.949 -15.221 603 3HG2 ILE 74 HG23 ILE 74 -20.963 9.634 -16.015 604 1HD1 ILE 74 HD11 ILE 74 -17.028 12.260 -17.685 605 2HD1 ILE 74 HD12 ILE 74 -18.783 12.139 -17.551 606 3HD1 ILE 74 HD13 ILE 74 -17.897 11.006 -18.570 607 H SER 75 HN SER 75 -17.881 6.367 -16.042 608 HA SER 75 HA SER 75 -20.409 5.170 -16.418 609 1HB SER 75 HB2 SER 75 -18.263 4.370 -17.458 610 2HB SER 75 HB1 SER 75 -17.795 3.733 -15.883 611 HG SER 75 HG SER 75 -20.109 2.722 -16.196 612 H ASN 76 HN ASN 76 -18.203 5.334 -13.693 613 HA ASN 76 HA ASN 76 -19.720 3.594 -12.012 614 1HB ASN 76 HB2 ASN 76 -17.475 5.520 -11.573 615 2HB ASN 76 HB1 ASN 76 -18.393 4.951 -10.182 616 1HD2 ASN 76 HD21 ASN 76 -16.194 4.068 -12.730 617 2HD2 ASN 76 HD22 ASN 76 -15.779 2.513 -12.091 618 H LEU 77 HN LEU 77 -19.613 7.083 -12.568 619 HA LEU 77 HA LEU 77 -21.449 7.877 -10.611 620 1HB LEU 77 HB2 LEU 77 -20.160 9.475 -11.951 621 2HB LEU 77 HB1 LEU 77 -21.052 9.005 -13.386 622 HG LEU 77 HG LEU 77 -23.142 9.832 -12.240 623 1HD1 LEU 77 HD11 LEU 77 -22.353 9.769 -9.950 624 2HD1 LEU 77 HD12 LEU 77 -22.848 11.404 -10.389 625 3HD1 LEU 77 HD13 LEU 77 -21.135 10.990 -10.317 626 1HD2 LEU 77 HD21 LEU 77 -22.678 12.178 -12.714 627 2HD2 LEU 77 HD22 LEU 77 -21.997 11.129 -13.958 628 3HD2 LEU 77 HD23 LEU 77 -20.948 11.839 -12.730 629 H GLY 78 HN GLY 78 -21.969 6.572 -13.858 630 1HA GLY 78 HA2 GLY 78 -24.114 5.067 -13.570 631 2HA GLY 78 HA1 GLY 78 -24.865 6.652 -13.456 632 H ARG 79 HN ARG 79 -23.363 8.038 -15.345 633 HA ARG 79 HA ARG 79 -24.383 6.783 -17.789 634 1HB ARG 79 HB2 ARG 79 -25.319 8.964 -17.439 635 2HB ARG 79 HB1 ARG 79 -23.733 9.662 -17.138 636 1HG ARG 79 HG2 ARG 79 -23.103 9.254 -19.459 637 2HG ARG 79 HG1 ARG 79 -24.682 8.530 -19.766 638 1HD ARG 79 HD2 ARG 79 -24.186 11.381 -18.914 639 2HD ARG 79 HD1 ARG 79 -24.551 10.852 -20.554 640 HE ARG 79 HE ARG 79 -26.477 10.262 -18.426 641 1HH1 ARG 79 HH11 ARG 79 -25.633 12.016 -21.344 642 2HH1 ARG 79 HH12 ARG 79 -27.246 12.625 -21.588 643 1HH2 ARG 79 HH21 ARG 79 -28.592 11.000 -18.774 644 2HH2 ARG 79 HH22 ARG 79 -28.943 12.019 -20.143 645 H ASN 80 HN ASN 80 -22.833 5.569 -18.705 646 HA ASN 80 HA ASN 80 -20.078 6.293 -18.748 647 1HB ASN 80 HB2 ASN 80 -19.887 4.509 -20.488 648 2HB ASN 80 HB1 ASN 80 -20.674 3.966 -19.010 649 1HD2 ASN 80 HD21 ASN 80 -20.925 4.301 -22.380 650 2HD2 ASN 80 HD22 ASN 80 -22.556 3.740 -22.541 651 HA PRO 81 HA PRO 81 -20.590 9.559 -21.609 652 1HB PRO 81 HB2 PRO 81 -17.964 10.072 -22.117 653 2HB PRO 81 HB1 PRO 81 -18.785 10.543 -20.626 654 1HG PRO 81 HG2 PRO 81 -17.000 8.206 -21.151 655 2HG PRO 81 HG1 PRO 81 -17.076 9.266 -19.731 656 1HD PRO 81 HD2 PRO 81 -18.200 6.793 -19.792 657 2HD PRO 81 HD1 PRO 81 -18.852 8.128 -18.820 658 H SER 82 HN SER 82 -21.463 7.762 -23.086 659 HA SER 82 HA SER 82 -19.739 7.547 -25.454 660 1HB SER 82 HB2 SER 82 -20.834 5.460 -24.648 661 2HB SER 82 HB1 SER 82 -22.406 6.215 -24.899 662 HG SER 82 HG SER 82 -21.608 6.514 -27.165 663 H ASP 83 HN ASP 83 -22.461 9.170 -24.112 664 HA ASP 83 HA ASP 83 -23.340 10.242 -26.664 665 1HB ASP 83 HB2 ASP 83 -24.955 11.544 -25.272 666 2HB ASP 83 HB1 ASP 83 -25.075 9.803 -25.046 667 H PHE 84 HN PHE 84 -20.726 10.721 -24.965 668 HA PHE 84 HA PHE 84 -20.581 13.584 -25.633 669 1HB PHE 84 HB2 PHE 84 -18.908 12.105 -23.585 670 2HB PHE 84 HB1 PHE 84 -18.856 13.832 -23.931 671 HD1 PHE 84 HD2 PHE 84 -21.039 15.154 -23.524 672 HD2 PHE 84 HD1 PHE 84 -20.273 11.297 -21.921 673 HE1 PHE 84 HE2 PHE 84 -22.760 15.531 -21.808 674 HE2 PHE 84 HE1 PHE 84 -21.994 11.658 -20.204 675 HZ PHE 84 HZ PHE 84 -23.240 13.781 -20.145 676 H LYS 85 HN LYS 85 -19.212 14.034 -27.273 677 HA LYS 85 HA LYS 85 -17.841 11.750 -28.435 678 1HB LYS 85 HB2 LYS 85 -19.308 13.321 -29.761 679 2HB LYS 85 HB1 LYS 85 -18.058 14.541 -29.562 680 1HG LYS 85 HG2 LYS 85 -17.938 13.399 -31.732 681 2HG LYS 85 HG1 LYS 85 -16.476 13.176 -30.768 682 1HD LYS 85 HD2 LYS 85 -17.090 10.954 -30.193 683 2HD LYS 85 HD1 LYS 85 -18.723 11.173 -30.821 684 1HE LYS 85 HE2 LYS 85 -17.288 9.832 -32.318 685 2HE LYS 85 HE1 LYS 85 -17.891 11.304 -33.076 686 1HZ LYS 85 HZ1 LYS 85 -15.514 10.826 -33.506 687 2HZ LYS 85 HZ2 LYS 85 -15.194 11.066 -31.856 688 3HZ LYS 85 HZ3 LYS 85 -15.790 12.345 -32.802 689 H ASN 86 HN ASN 86 -16.979 15.139 -27.695 690 HA ASN 86 HA ASN 86 -14.162 14.379 -27.826 691 1HB ASN 86 HB2 ASN 86 -13.714 16.819 -27.647 692 2HB ASN 86 HB1 ASN 86 -14.715 16.391 -29.028 693 1HD2 ASN 86 HD21 ASN 86 -16.780 17.131 -29.152 694 2HD2 ASN 86 HD22 ASN 86 -17.446 18.280 -28.039 695 H ALA 87 HN ALA 87 -12.825 15.860 -26.156 696 HA ALA 87 HA ALA 87 -13.299 14.549 -23.666 697 1HB ALA 87 HB1 ALA 87 -11.250 16.655 -24.337 698 2HB ALA 87 HB2 ALA 87 -11.042 14.918 -24.571 699 3HB ALA 87 HB3 ALA 87 -11.232 15.572 -22.944 700 H ASP 88 HN ASP 88 -13.731 17.834 -24.866 701 HA ASP 88 HA ASP 88 -13.973 19.089 -22.349 702 1HB ASP 88 HB2 ASP 88 -15.062 19.927 -25.040 703 2HB ASP 88 HB1 ASP 88 -15.087 20.941 -23.601 704 H GLU 89 HN GLU 89 -16.371 17.624 -24.500 705 HA GLU 89 HA GLU 89 -18.678 18.325 -23.080 706 1HB GLU 89 HB2 GLU 89 -18.071 15.810 -24.639 707 2HB GLU 89 HB1 GLU 89 -19.663 16.218 -24.022 708 1HG GLU 89 HG2 GLU 89 -19.614 18.280 -25.387 709 2HG GLU 89 HG1 GLU 89 -18.077 17.747 -26.067 710 H ARG 90 HN ARG 90 -16.383 15.710 -22.598 711 HA ARG 90 HA ARG 90 -17.812 14.440 -20.491 712 1HB ARG 90 HB2 ARG 90 -14.925 14.315 -21.357 713 2HB ARG 90 HB1 ARG 90 -15.578 13.339 -20.049 714 1HG ARG 90 HG2 ARG 90 -17.073 12.220 -21.549 715 2HG ARG 90 HG1 ARG 90 -16.627 13.304 -22.867 716 1HD ARG 90 HD2 ARG 90 -14.414 12.418 -22.944 717 2HD ARG 90 HD1 ARG 90 -14.670 11.498 -21.462 718 HE ARG 90 HE ARG 90 -15.988 9.964 -22.662 719 1HH1 ARG 90 HH11 ARG 90 -14.781 12.518 -24.728 720 2HH1 ARG 90 HH12 ARG 90 -15.094 11.656 -26.200 721 1HH2 ARG 90 HH21 ARG 90 -16.417 8.826 -24.595 722 2HH2 ARG 90 HH22 ARG 90 -16.035 9.557 -26.118 723 H ILE 91 HN ILE 91 -15.227 16.853 -20.611 724 HA ILE 91 HA ILE 91 -14.748 17.000 -17.835 725 HB ILE 91 HB ILE 91 -14.418 19.152 -19.936 726 1HG1 ILE 91 HG12 ILE 91 -12.393 17.227 -18.770 727 2HG1 ILE 91 HG11 ILE 91 -13.136 17.066 -20.357 728 1HG2 ILE 91 HG21 ILE 91 -12.842 20.182 -18.360 729 2HG2 ILE 91 HG22 ILE 91 -13.264 18.965 -17.154 730 3HG2 ILE 91 HG23 ILE 91 -14.479 20.117 -17.708 731 1HD1 ILE 91 HD11 ILE 91 -11.373 19.333 -19.461 732 2HD1 ILE 91 HD12 ILE 91 -12.106 19.159 -21.056 733 3HD1 ILE 91 HD13 ILE 91 -10.898 17.995 -20.509 734 H ALA 92 HN ALA 92 -16.972 18.734 -19.967 735 HA ALA 92 HA ALA 92 -18.021 20.538 -18.103 736 1HB ALA 92 HB1 ALA 92 -19.397 19.286 -20.476 737 2HB ALA 92 HB2 ALA 92 -18.394 20.736 -20.507 738 3HB ALA 92 HB3 ALA 92 -19.920 20.738 -19.624 739 H TYR 93 HN TYR 93 -19.072 17.259 -18.982 740 HA TYR 93 HA TYR 93 -21.354 17.219 -17.330 741 1HB TYR 93 HB2 TYR 93 -20.790 15.597 -19.208 742 2HB TYR 93 HB1 TYR 93 -19.710 14.796 -18.072 743 HD1 TYR 93 HD2 TYR 93 -23.259 15.795 -18.553 744 HD2 TYR 93 HD1 TYR 93 -20.548 13.161 -16.606 745 HE1 TYR 93 HE2 TYR 93 -25.155 14.480 -17.707 746 HE2 TYR 93 HE1 TYR 93 -22.437 11.839 -15.754 747 HH TYR 93 HH TYR 93 -24.880 12.237 -15.238 748 H ILE 94 HN ILE 94 -17.981 16.338 -16.751 749 HA ILE 94 HA ILE 94 -18.362 15.319 -14.143 750 HB ILE 94 HB ILE 94 -15.902 16.575 -15.381 751 1HG1 ILE 94 HG12 ILE 94 -16.716 13.678 -15.018 752 2HG1 ILE 94 HG11 ILE 94 -16.689 14.553 -16.541 753 1HG2 ILE 94 HG21 ILE 94 -15.738 16.673 -12.970 754 2HG2 ILE 94 HG22 ILE 94 -14.651 15.432 -13.590 755 3HG2 ILE 94 HG23 ILE 94 -16.181 14.972 -12.842 756 1HD1 ILE 94 HD11 ILE 94 -14.272 14.743 -16.409 757 2HD1 ILE 94 HD12 ILE 94 -14.769 13.055 -16.291 758 3HD1 ILE 94 HD13 ILE 94 -14.279 13.936 -14.843 759 H LEU 95 HN LEU 95 -17.448 18.555 -15.320 760 HA LEU 95 HA LEU 95 -17.245 19.831 -12.831 761 1HB LEU 95 HB2 LEU 95 -17.901 20.818 -15.588 762 2HB LEU 95 HB1 LEU 95 -17.902 21.908 -14.217 763 HG LEU 95 HG LEU 95 -15.531 20.321 -15.203 764 1HD1 LEU 95 HD11 LEU 95 -16.184 22.144 -16.695 765 2HD1 LEU 95 HD12 LEU 95 -14.673 22.515 -15.869 766 3HD1 LEU 95 HD13 LEU 95 -16.175 23.267 -15.338 767 1HD2 LEU 95 HD21 LEU 95 -15.510 20.641 -12.772 768 2HD2 LEU 95 HD22 LEU 95 -15.753 22.372 -12.998 769 3HD2 LEU 95 HD23 LEU 95 -14.266 21.611 -13.557 770 H LYS 96 HN LYS 96 -20.011 19.158 -14.861 771 HA LYS 96 HA LYS 96 -21.819 20.960 -13.702 772 1HB LYS 96 HB2 LYS 96 -22.070 19.803 -15.902 773 2HB LYS 96 HB1 LYS 96 -22.455 18.327 -15.031 774 1HG LYS 96 HG2 LYS 96 -24.548 18.990 -14.564 775 2HG LYS 96 HG1 LYS 96 -24.077 20.673 -14.316 776 1HD LYS 96 HD2 LYS 96 -25.533 20.377 -16.287 777 2HD LYS 96 HD1 LYS 96 -23.948 21.029 -16.707 778 1HE LYS 96 HE2 LYS 96 -23.253 18.660 -17.242 779 2HE LYS 96 HE1 LYS 96 -24.950 18.213 -17.076 780 1HZ LYS 96 HZ1 LYS 96 -25.512 19.725 -18.849 781 2HZ LYS 96 HZ2 LYS 96 -24.312 18.652 -19.387 782 3HZ LYS 96 HZ3 LYS 96 -23.902 20.245 -18.973 783 H GLN 97 HN GLN 97 -20.872 17.704 -12.791 784 HA GLN 97 HA GLN 97 -22.926 17.449 -10.793 785 1HB GLN 97 HB2 GLN 97 -20.665 15.805 -11.751 786 2HB GLN 97 HB1 GLN 97 -21.112 15.581 -10.065 787 1HG GLN 97 HG2 GLN 97 -22.218 14.004 -11.619 788 2HG GLN 97 HG1 GLN 97 -23.339 14.968 -10.661 789 1HE2 GLN 97 HE21 GLN 97 -22.022 14.412 -13.828 790 2HE2 GLN 97 HE22 GLN 97 -23.213 15.309 -14.702 791 H ILE 98 HN ILE 98 -19.641 18.616 -10.917 792 HA ILE 98 HA ILE 98 -19.229 18.800 -8.116 793 HB ILE 98 HB ILE 98 -18.029 20.509 -10.309 794 1HG1 ILE 98 HG12 ILE 98 -16.972 17.975 -9.034 795 2HG1 ILE 98 HG11 ILE 98 -17.667 18.081 -10.648 796 1HG2 ILE 98 HG21 ILE 98 -17.103 19.987 -7.484 797 2HG2 ILE 98 HG22 ILE 98 -17.734 21.508 -8.117 798 3HG2 ILE 98 HG23 ILE 98 -16.195 20.877 -8.708 799 1HD1 ILE 98 HD11 ILE 98 -15.186 19.508 -9.721 800 2HD1 ILE 98 HD12 ILE 98 -15.862 19.535 -11.350 801 3HD1 ILE 98 HD13 ILE 98 -15.224 18.032 -10.683 802 H ASP 99 HN ASP 99 -20.564 20.971 -10.549 803 HA ASP 99 HA ASP 99 -21.044 23.137 -8.762 804 1HB ASP 99 HB2 ASP 99 -20.884 23.474 -11.190 805 2HB ASP 99 HB1 ASP 99 -22.333 22.502 -11.426 806 H ASN 100 HN ASN 100 -23.256 20.806 -10.305 807 HA ASN 100 HA ASN 100 -25.338 21.487 -8.392 808 1HB ASN 100 HB2 ASN 100 -25.354 19.492 -10.672 809 2HB ASN 100 HB1 ASN 100 -26.748 19.921 -9.686 810 1HD2 ASN 100 HD21 ASN 100 -24.618 20.908 -12.217 811 2HD2 ASN 100 HD22 ASN 100 -25.508 22.311 -12.710 812 H LYS 101 HN LYS 101 -24.012 20.730 -6.594 813 HA LYS 101 HA LYS 101 -23.719 17.841 -6.390 814 1HB LYS 101 HB2 LYS 101 -22.665 18.601 -4.097 815 2HB LYS 101 HB1 LYS 101 -21.769 18.743 -5.602 816 1HG LYS 101 HG2 LYS 101 -22.384 21.104 -5.748 817 2HG LYS 101 HG1 LYS 101 -23.286 20.959 -4.237 818 1HD LYS 101 HD2 LYS 101 -21.292 20.510 -3.005 819 2HD LYS 101 HD1 LYS 101 -20.342 20.361 -4.485 820 1HE LYS 101 HE2 LYS 101 -21.727 22.882 -3.575 821 2HE LYS 101 HE1 LYS 101 -20.019 22.526 -3.317 822 1HZ LYS 101 HZ1 LYS 101 -21.142 22.453 -6.037 823 2HZ LYS 101 HZ2 LYS 101 -19.544 22.737 -5.553 824 3HZ LYS 101 HZ3 LYS 101 -20.723 23.937 -5.341 825 H GLY 102 HN GLY 102 -24.886 20.350 -4.104 826 1HA GLY 102 HA2 GLY 102 -26.872 20.330 -2.877 827 2HA GLY 102 HA1 GLY 102 -27.251 18.751 -3.551 828 H GLU 103 HN GLU 103 -24.976 17.354 -2.893 829 HA GLU 103 HA GLU 103 -25.352 16.799 -0.117 830 1HB GLU 103 HB2 GLU 103 -23.203 15.820 -2.009 831 2HB GLU 103 HB1 GLU 103 -23.601 15.117 -0.449 832 1HG GLU 103 HG2 GLU 103 -25.465 15.243 -2.809 833 2HG GLU 103 HG1 GLU 103 -24.495 13.843 -2.355 834 H LEU 104 HN LEU 104 -24.404 17.827 1.528 835 HA LEU 104 HA LEU 104 -22.180 19.613 1.022 836 1HB LEU 104 HB2 LEU 104 -24.009 19.117 3.325 837 2HB LEU 104 HB1 LEU 104 -22.456 19.864 3.642 838 HG LEU 104 HG LEU 104 -23.049 21.663 2.015 839 1HD1 LEU 104 HD11 LEU 104 -25.764 20.363 2.071 840 2HD1 LEU 104 HD12 LEU 104 -24.679 20.446 0.682 841 3HD1 LEU 104 HD13 LEU 104 -25.377 21.924 1.346 842 1HD2 LEU 104 HD21 LEU 104 -23.338 21.984 4.410 843 2HD2 LEU 104 HD22 LEU 104 -24.954 21.282 4.319 844 3HD2 LEU 104 HD23 LEU 104 -24.607 22.807 3.504 845 H GLU 105 HN GLU 105 -20.240 18.755 0.885 846 HA GLU 105 HA GLU 105 -19.441 16.428 2.356 847 1HB GLU 105 HB2 GLU 105 -18.480 16.789 0.171 848 2HB GLU 105 HB1 GLU 105 -17.909 18.385 0.631 849 1HG GLU 105 HG2 GLU 105 -16.088 16.786 0.551 850 2HG GLU 105 HG1 GLU 105 -16.331 17.393 2.187 851 H HIS 106 HN HIS 106 -18.475 16.343 4.282 852 HA HIS 106 HA HIS 106 -17.298 18.759 5.428 853 1HB HIS 106 HB2 HIS 106 -19.745 18.570 6.121 854 2HB HIS 106 HB1 HIS 106 -19.286 17.124 7.013 855 HD1 HIS 106 HD1 HIS 106 -19.137 17.695 9.420 856 HD2 HIS 106 HD2 HIS 106 -17.689 20.766 7.010 857 HE1 HIS 106 HE1 HIS 106 -18.298 19.467 11.000 858 HE2 HIS 106 HE2 HIS 106 -17.474 21.336 9.529 859 H HIS 107 HN HIS 107 -16.513 16.015 4.405 860 HA HIS 107 HA HIS 107 -15.127 14.992 6.788 861 1HB HIS 107 HB2 HIS 107 -15.210 13.943 3.940 862 2HB HIS 107 HB1 HIS 107 -14.345 13.177 5.264 863 HD1 HIS 107 HD1 HIS 107 -15.587 11.255 6.222 864 HD2 HIS 107 HD2 HIS 107 -18.159 14.150 4.695 865 HE1 HIS 107 HE1 HIS 107 -17.905 10.335 6.523 866 HE2 HIS 107 HE2 HIS 107 -19.412 12.000 5.382 867 H HIS 108 HN HIS 108 -14.619 17.589 5.501 868 HA HIS 108 HA HIS 108 -12.360 17.543 3.816 869 1HB HIS 108 HB2 HIS 108 -14.005 19.402 3.983 870 2HB HIS 108 HB1 HIS 108 -13.360 19.795 5.571 871 HD1 HIS 108 HD1 HIS 108 -11.192 21.145 5.671 872 HD2 HIS 108 HD2 HIS 108 -12.299 20.044 1.809 873 HE1 HIS 108 HE1 HIS 108 -9.733 22.497 4.130 874 HE2 HIS 108 HE2 HIS 108 -10.338 21.732 1.799 875 H HIS 109 HN HIS 109 -12.665 17.279 7.234 876 HA HIS 109 HA HIS 109 -10.229 18.378 8.086 877 1HB HIS 109 HB2 HIS 109 -12.085 17.750 9.601 878 2HB HIS 109 HB1 HIS 109 -11.739 16.051 9.301 879 HD1 HIS 109 HD1 HIS 109 -10.684 15.127 11.339 880 HD2 HIS 109 HD2 HIS 109 -9.302 18.960 10.478 881 HE1 HIS 109 HE1 HIS 109 -8.918 15.617 13.060 882 HE2 HIS 109 HE2 HIS 109 -8.256 18.010 12.649 883 H HIS 110 HN HIS 110 -10.792 15.606 6.210 884 HA HIS 110 HA HIS 110 -7.948 14.930 6.457 885 1HB HIS 110 HB2 HIS 110 -10.151 13.209 7.156 886 2HB HIS 110 HB1 HIS 110 -9.260 12.527 5.798 887 HD1 HIS 110 HD1 HIS 110 -6.600 12.250 6.222 888 HD2 HIS 110 HD2 HIS 110 -8.982 12.842 9.584 889 HE1 HIS 110 HE1 HIS 110 -5.200 11.528 8.186 890 HE2 HIS 110 HE2 HIS 110 -6.595 12.069 10.216 891 H HIS 111 HN HIS 111 -9.537 16.525 4.560 892 HA HIS 111 HA HIS 111 -8.621 15.231 2.135 893 1HB HIS 111 HB2 HIS 111 -11.011 14.441 2.617 894 2HB HIS 111 HB1 HIS 111 -11.504 16.098 2.288 895 HD1 HIS 111 HD1 HIS 111 -11.212 16.948 -0.177 896 HD2 HIS 111 HD2 HIS 111 -10.457 12.906 0.405 897 HE1 HIS 111 HE1 HIS 111 -11.242 15.917 -2.470 898 HE2 HIS 111 HE2 HIS 111 -11.106 13.436 -2.039 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -5.298 -1.388 -0.203 2 2H MET 1 HT2 MET 1 -4.216 -0.247 0.430 3 3H MET 1 HT3 MET 1 -5.708 0.256 -0.206 4 HA MET 1 HA MET 1 -5.299 -1.417 2.204 5 1HB MET 1 HB2 MET 1 -6.233 0.504 3.425 6 2HB MET 1 HB1 MET 1 -4.740 0.922 2.600 7 1HG MET 1 HG2 MET 1 -6.055 1.966 0.802 8 2HG MET 1 HG1 MET 1 -7.529 1.593 1.694 9 1HE MET 1 HE1 MET 1 -4.187 3.694 1.674 10 2HE MET 1 HE2 MET 1 -4.052 2.726 3.142 11 3HE MET 1 HE3 MET 1 -4.269 4.473 3.254 12 H PHE 2 HN PHE 2 -7.605 -0.940 3.493 13 HA PHE 2 HA PHE 2 -9.439 -2.468 1.820 14 1HB PHE 2 HB2 PHE 2 -9.624 -1.842 4.773 15 2HB PHE 2 HB1 PHE 2 -10.569 -3.035 3.891 16 HD1 PHE 2 HD1 PHE 2 -9.198 -4.910 2.704 17 HD2 PHE 2 HD2 PHE 2 -7.718 -2.499 5.886 18 HE1 PHE 2 HE1 PHE 2 -7.513 -6.627 3.219 19 HE2 PHE 2 HE2 PHE 2 -6.027 -4.211 6.398 20 HZ PHE 2 HZ PHE 2 -5.924 -6.277 5.063 21 H THR 3 HN THR 3 -11.368 -1.738 1.107 22 HA THR 3 HA THR 3 -12.378 0.796 2.216 23 HB THR 3 HB THR 3 -13.312 1.340 -0.020 24 HG1 THR 3 HG1 THR 3 -11.995 -1.066 -0.688 25 1HG2 THR 3 HG21 THR 3 -10.315 0.966 0.024 26 2HG2 THR 3 HG22 THR 3 -11.199 2.343 0.680 27 3HG2 THR 3 HG23 THR 3 -11.202 2.041 -1.058 28 H ALA 4 HN ALA 4 -14.546 0.883 2.652 29 HA ALA 4 HA ALA 4 -16.172 -1.461 1.924 30 1HB ALA 4 HB1 ALA 4 -16.061 -0.174 4.652 31 2HB ALA 4 HB2 ALA 4 -15.398 -1.752 4.224 32 3HB ALA 4 HB3 ALA 4 -17.141 -1.484 4.170 33 H LYS 5 HN LYS 5 -18.219 -0.988 1.271 34 HA LYS 5 HA LYS 5 -19.236 1.704 1.848 35 1HB LYS 5 HB2 LYS 5 -20.100 1.926 -0.429 36 2HB LYS 5 HB1 LYS 5 -18.351 1.770 -0.424 37 1HG LYS 5 HG2 LYS 5 -18.493 -0.492 -1.178 38 2HG LYS 5 HG1 LYS 5 -20.248 -0.491 -0.993 39 1HD LYS 5 HD2 LYS 5 -20.275 0.043 -3.176 40 2HD LYS 5 HD1 LYS 5 -19.858 1.661 -2.610 41 1HE LYS 5 HE2 LYS 5 -18.425 0.913 -4.448 42 2HE LYS 5 HE1 LYS 5 -17.526 1.241 -2.970 43 1HZ LYS 5 HZ1 LYS 5 -16.778 -0.786 -4.060 44 2HZ LYS 5 HZ2 LYS 5 -18.332 -1.452 -3.933 45 3HZ LYS 5 HZ3 LYS 5 -17.430 -1.125 -2.533 46 H LEU 6 HN LEU 6 -21.417 1.874 2.132 47 HA LEU 6 HA LEU 6 -22.796 -0.467 2.982 48 1HB LEU 6 HB2 LEU 6 -23.014 1.826 3.973 49 2HB LEU 6 HB1 LEU 6 -23.844 2.333 2.522 50 HG LEU 6 HG LEU 6 -25.265 1.846 4.573 51 1HD1 LEU 6 HD11 LEU 6 -27.059 0.817 3.261 52 2HD1 LEU 6 HD12 LEU 6 -25.892 0.421 1.998 53 3HD1 LEU 6 HD13 LEU 6 -26.242 2.107 2.379 54 1HD2 LEU 6 HD21 LEU 6 -24.170 -0.213 5.271 55 2HD2 LEU 6 HD22 LEU 6 -24.675 -0.998 3.774 56 3HD2 LEU 6 HD23 LEU 6 -25.883 -0.483 4.951 57 H ILE 7 HN ILE 7 -24.436 -1.603 1.961 58 HA ILE 7 HA ILE 7 -25.093 -0.721 -0.772 59 HB ILE 7 HB ILE 7 -25.306 -3.080 -1.449 60 1HG1 ILE 7 HG12 ILE 7 -23.930 -3.751 1.154 61 2HG1 ILE 7 HG11 ILE 7 -25.658 -3.961 0.891 62 1HG2 ILE 7 HG21 ILE 7 -23.289 -1.835 -1.927 63 2HG2 ILE 7 HG22 ILE 7 -22.911 -3.527 -1.604 64 3HG2 ILE 7 HG23 ILE 7 -22.609 -2.305 -0.368 65 1HD1 ILE 7 HD11 ILE 7 -25.190 -5.540 -0.907 66 2HD1 ILE 7 HD12 ILE 7 -24.461 -6.050 0.616 67 3HD1 ILE 7 HD13 ILE 7 -23.462 -5.327 -0.643 68 H LYS 8 HN LYS 8 -26.272 -2.564 2.034 69 HA LYS 8 HA LYS 8 -28.994 -2.374 0.989 70 1HB LYS 8 HB2 LYS 8 -27.861 -3.845 3.366 71 2HB LYS 8 HB1 LYS 8 -29.574 -3.773 3.005 72 1HG LYS 8 HG2 LYS 8 -29.190 -4.915 0.888 73 2HG LYS 8 HG1 LYS 8 -27.454 -4.953 1.215 74 1HD LYS 8 HD2 LYS 8 -27.878 -6.299 3.226 75 2HD LYS 8 HD1 LYS 8 -29.604 -6.277 2.871 76 1HE LYS 8 HE2 LYS 8 -27.516 -7.400 1.012 77 2HE LYS 8 HE1 LYS 8 -28.409 -8.365 2.185 78 1HZ LYS 8 HZ1 LYS 8 -30.457 -7.807 1.080 79 2HZ LYS 8 HZ2 LYS 8 -29.369 -8.448 -0.050 80 3HZ LYS 8 HZ3 LYS 8 -29.652 -6.779 -0.001 81 H GLY 9 HN GLY 9 -29.540 -0.254 1.253 82 1HA GLY 9 HA2 GLY 9 -30.897 0.752 3.239 83 2HA GLY 9 HA1 GLY 9 -29.289 0.910 3.930 84 H LYS 10 HN LYS 10 -28.316 2.782 3.626 85 HA LYS 10 HA LYS 10 -28.168 4.236 1.268 86 1HB LYS 10 HB2 LYS 10 -30.625 4.593 1.754 87 2HB LYS 10 HB1 LYS 10 -30.143 5.456 3.208 88 1HG LYS 10 HG2 LYS 10 -28.983 7.111 1.873 89 2HG LYS 10 HG1 LYS 10 -29.379 6.223 0.399 90 1HD LYS 10 HD2 LYS 10 -31.782 6.539 0.913 91 2HD LYS 10 HD1 LYS 10 -31.324 7.531 2.299 92 1HE LYS 10 HE2 LYS 10 -30.179 9.088 0.797 93 2HE LYS 10 HE1 LYS 10 -30.647 8.097 -0.586 94 1HZ LYS 10 HZ1 LYS 10 -32.980 8.504 0.006 95 2HZ LYS 10 HZ2 LYS 10 -32.150 9.935 -0.369 96 3HZ LYS 10 HZ3 LYS 10 -32.476 9.546 1.250 97 H THR 11 HN THR 11 -28.675 4.881 4.736 98 HA THR 11 HA THR 11 -25.877 5.747 4.912 99 HB THR 11 HB THR 11 -28.128 7.306 6.197 100 HG1 THR 11 HG1 THR 11 -26.980 7.495 3.652 101 1HG2 THR 11 HG21 THR 11 -25.197 7.921 5.804 102 2HG2 THR 11 HG22 THR 11 -25.968 7.473 7.326 103 3HG2 THR 11 HG23 THR 11 -26.383 8.999 6.543 104 H TYR 12 HN TYR 12 -24.957 4.488 6.420 105 HA TYR 12 HA TYR 12 -26.463 3.872 8.865 106 1HB TYR 12 HB2 TYR 12 -26.630 1.927 7.316 107 2HB TYR 12 HB1 TYR 12 -24.873 1.826 7.296 108 HD1 TYR 12 HD2 TYR 12 -27.853 1.507 9.468 109 HD2 TYR 12 HD1 TYR 12 -23.700 0.703 9.026 110 HE1 TYR 12 HE2 TYR 12 -27.930 0.055 11.450 111 HE2 TYR 12 HE1 TYR 12 -23.765 -0.753 11.005 112 HH TYR 12 HH TYR 12 -26.687 -1.809 12.416 113 H ASN 13 HN ASN 13 -25.266 4.006 10.706 114 HA ASN 13 HA ASN 13 -22.472 4.831 10.328 115 1HB ASN 13 HB2 ASN 13 -24.067 6.404 11.454 116 2HB ASN 13 HB1 ASN 13 -24.226 5.229 12.756 117 1HD2 ASN 13 HD21 ASN 13 -23.378 6.604 14.301 118 2HD2 ASN 13 HD22 ASN 13 -21.705 7.039 14.330 119 H VAL 14 HN VAL 14 -20.907 3.459 10.865 120 HA VAL 14 HA VAL 14 -21.526 1.309 12.784 121 HB VAL 14 HB VAL 14 -19.314 1.399 10.719 122 1HG1 VAL 14 HG11 VAL 14 -18.725 0.091 12.704 123 2HG1 VAL 14 HG12 VAL 14 -18.955 -0.946 11.296 124 3HG1 VAL 14 HG13 VAL 14 -20.212 -0.843 12.530 125 1HG2 VAL 14 HG21 VAL 14 -21.904 -0.144 10.741 126 2HG2 VAL 14 HG22 VAL 14 -20.604 -0.349 9.568 127 3HG2 VAL 14 HG23 VAL 14 -21.481 1.179 9.654 128 H MET 15 HN MET 15 -20.924 1.944 14.737 129 HA MET 15 HA MET 15 -19.664 2.576 16.505 130 1HB MET 15 HB2 MET 15 -17.366 2.211 14.573 131 2HB MET 15 HB1 MET 15 -17.175 2.510 16.293 132 1HG MET 15 HG2 MET 15 -18.344 0.426 16.789 133 2HG MET 15 HG1 MET 15 -18.546 0.129 15.063 134 1HE MET 15 HE1 MET 15 -15.891 -2.563 16.061 135 2HE MET 15 HE2 MET 15 -17.449 -2.267 15.294 136 3HE MET 15 HE3 MET 15 -17.259 -2.012 17.028 137 H GLY 16 HN GLY 16 -17.460 4.046 14.193 138 1HA GLY 16 HA2 GLY 16 -18.561 6.694 14.844 139 2HA GLY 16 HA1 GLY 16 -16.842 6.386 15.050 140 H ILE 17 HN ILE 17 -18.070 4.627 12.471 141 HA ILE 17 HA ILE 17 -17.242 6.721 10.564 142 HB ILE 17 HB ILE 17 -16.909 3.724 10.230 143 1HG1 ILE 17 HG12 ILE 17 -14.430 4.407 10.063 144 2HG1 ILE 17 HG11 ILE 17 -14.923 5.913 10.830 145 1HG2 ILE 17 HG21 ILE 17 -16.156 5.998 8.405 146 2HG2 ILE 17 HG22 ILE 17 -17.418 4.797 8.128 147 3HG2 ILE 17 HG23 ILE 17 -15.723 4.307 8.157 148 1HD1 ILE 17 HD11 ILE 17 -14.019 4.362 12.452 149 2HD1 ILE 17 HD12 ILE 17 -15.214 3.151 11.989 150 3HD1 ILE 17 HD13 ILE 17 -15.732 4.649 12.763 151 H THR 18 HN THR 18 -18.998 7.463 9.555 152 HA THR 18 HA THR 18 -21.333 5.758 9.289 153 HB THR 18 HB THR 18 -21.039 8.609 8.337 154 HG1 THR 18 HG1 THR 18 -21.135 7.576 10.879 155 1HG2 THR 18 HG21 THR 18 -23.450 6.978 9.147 156 2HG2 THR 18 HG22 THR 18 -22.985 7.357 7.487 157 3HG2 THR 18 HG23 THR 18 -23.468 8.651 8.586 158 H PHE 19 HN PHE 19 -21.778 4.607 7.563 159 HA PHE 19 HA PHE 19 -20.311 5.127 5.071 160 1HB PHE 19 HB2 PHE 19 -21.783 2.653 6.003 161 2HB PHE 19 HB1 PHE 19 -20.940 2.811 4.467 162 HD1 PHE 19 HD2 PHE 19 -20.543 2.506 8.098 163 HD2 PHE 19 HD1 PHE 19 -18.555 2.689 4.344 164 HE1 PHE 19 HE2 PHE 19 -18.471 1.715 9.163 165 HE2 PHE 19 HE1 PHE 19 -16.480 1.896 5.398 166 HZ PHE 19 HZ PHE 19 -16.436 1.410 7.812 167 H ARG 20 HN ARG 20 -21.377 5.403 3.151 168 HA ARG 20 HA ARG 20 -24.315 5.473 3.269 169 1HB ARG 20 HB2 ARG 20 -22.438 7.265 1.718 170 2HB ARG 20 HB1 ARG 20 -24.178 7.214 1.463 171 1HG ARG 20 HG2 ARG 20 -24.503 7.870 3.826 172 2HG ARG 20 HG1 ARG 20 -22.753 8.032 3.986 173 1HD ARG 20 HD2 ARG 20 -22.731 9.759 2.283 174 2HD ARG 20 HD1 ARG 20 -24.463 9.554 2.020 175 HE ARG 20 HE ARG 20 -23.447 10.393 4.658 176 1HH1 ARG 20 HH11 ARG 20 -25.351 11.031 1.784 177 2HH1 ARG 20 HH12 ARG 20 -26.163 12.405 2.472 178 1HH2 ARG 20 HH21 ARG 20 -24.506 12.198 5.562 179 2HH2 ARG 20 HH22 ARG 20 -25.694 13.068 4.632 180 H ALA 21 HN ALA 21 -25.445 4.629 1.514 181 HA ALA 21 HA ALA 21 -24.338 2.435 0.203 182 1HB ALA 21 HB1 ALA 21 -26.353 2.441 -1.183 183 2HB ALA 21 HB2 ALA 21 -26.732 4.073 -0.632 184 3HB ALA 21 HB3 ALA 21 -26.737 2.731 0.514 185 H GLY 22 HN GLY 22 -22.792 2.376 -1.273 186 1HA GLY 22 HA2 GLY 22 -22.063 2.705 -3.506 187 2HA GLY 22 HA1 GLY 22 -22.949 4.221 -3.550 188 H VAL 23 HN VAL 23 -21.657 4.641 -0.737 189 HA VAL 23 HA VAL 23 -19.268 5.940 -1.853 190 HB VAL 23 HB VAL 23 -20.679 6.555 0.753 191 1HG1 VAL 23 HG11 VAL 23 -18.328 7.172 0.763 192 2HG1 VAL 23 HG12 VAL 23 -19.341 8.615 0.704 193 3HG1 VAL 23 HG13 VAL 23 -18.533 8.045 -0.755 194 1HG2 VAL 23 HG21 VAL 23 -22.138 7.062 -1.125 195 2HG2 VAL 23 HG22 VAL 23 -20.847 7.977 -1.904 196 3HG2 VAL 23 HG23 VAL 23 -21.545 8.550 -0.389 197 H SER 24 HN SER 24 -17.491 4.779 -1.553 198 HA SER 24 HA SER 24 -17.235 2.909 0.616 199 1HB SER 24 HB2 SER 24 -15.212 3.737 -1.466 200 2HB SER 24 HB1 SER 24 -15.115 2.321 -0.422 201 HG SER 24 HG SER 24 -16.560 2.755 -2.721 202 H GLN 25 HN GLN 25 -16.118 3.122 2.434 203 HA GLN 25 HA GLN 25 -14.441 5.519 2.808 204 1HB GLN 25 HB2 GLN 25 -16.193 3.982 4.703 205 2HB GLN 25 HB1 GLN 25 -14.792 4.842 5.323 206 1HG GLN 25 HG2 GLN 25 -16.683 6.242 5.597 207 2HG GLN 25 HG1 GLN 25 -15.698 6.924 4.308 208 1HE2 GLN 25 HE21 GLN 25 -17.780 4.147 3.902 209 2HE2 GLN 25 HE22 GLN 25 -18.906 4.915 2.840 210 H THR 26 HN THR 26 -12.406 5.227 3.811 211 HA THR 26 HA THR 26 -11.236 2.615 3.435 212 HB THR 26 HB THR 26 -9.162 3.841 4.366 213 HG1 THR 26 HG1 THR 26 -9.868 5.675 5.275 214 1HG2 THR 26 HG21 THR 26 -9.517 3.369 1.987 215 2HG2 THR 26 HG22 THR 26 -8.767 4.948 2.214 216 3HG2 THR 26 HG23 THR 26 -10.486 4.834 1.836 217 H VAL 27 HN VAL 27 -11.161 1.090 4.962 218 HA VAL 27 HA VAL 27 -11.634 1.936 7.745 219 HB VAL 27 HB VAL 27 -12.899 -0.101 8.130 220 1HG1 VAL 27 HG11 VAL 27 -13.877 1.450 5.743 221 2HG1 VAL 27 HG12 VAL 27 -14.142 1.842 7.443 222 3HG1 VAL 27 HG13 VAL 27 -14.872 0.395 6.746 223 1HG2 VAL 27 HG21 VAL 27 -12.422 -0.680 5.206 224 2HG2 VAL 27 HG22 VAL 27 -13.553 -1.557 6.235 225 3HG2 VAL 27 HG23 VAL 27 -11.825 -1.611 6.581 226 HA PRO 28 HA PRO 28 -8.063 -0.439 8.935 227 1HB PRO 28 HB2 PRO 28 -9.401 -1.015 11.479 228 2HB PRO 28 HB1 PRO 28 -7.966 -0.035 11.171 229 1HG PRO 28 HG2 PRO 28 -10.313 1.055 11.920 230 2HG PRO 28 HG1 PRO 28 -9.191 1.887 10.826 231 1HD PRO 28 HD2 PRO 28 -11.682 0.348 10.177 232 2HD PRO 28 HD1 PRO 28 -11.113 1.897 9.516 233 H LYS 29 HN LYS 29 -7.586 -2.582 10.127 234 HA LYS 29 HA LYS 29 -8.657 -4.663 8.586 235 1HB LYS 29 HB2 LYS 29 -7.126 -4.767 11.189 236 2HB LYS 29 HB1 LYS 29 -7.451 -6.166 10.173 237 1HG LYS 29 HG2 LYS 29 -6.166 -5.181 8.365 238 2HG LYS 29 HG1 LYS 29 -5.881 -3.735 9.334 239 1HD LYS 29 HD2 LYS 29 -4.651 -5.054 10.969 240 2HD LYS 29 HD1 LYS 29 -4.977 -6.524 10.047 241 1HE LYS 29 HE2 LYS 29 -3.740 -5.591 8.145 242 2HE LYS 29 HE1 LYS 29 -3.401 -4.138 9.085 243 1HZ LYS 29 HZ1 LYS 29 -2.575 -6.859 9.931 244 2HZ LYS 29 HZ2 LYS 29 -2.070 -5.374 10.584 245 3HZ LYS 29 HZ3 LYS 29 -1.583 -5.826 9.027 246 H LYS 30 HN LYS 30 -9.439 -3.591 11.861 247 HA LYS 30 HA LYS 30 -11.073 -5.725 12.623 248 1HB LYS 30 HB2 LYS 30 -11.107 -2.821 13.412 249 2HB LYS 30 HB1 LYS 30 -12.196 -4.003 14.123 250 1HG LYS 30 HG2 LYS 30 -10.186 -5.303 14.837 251 2HG LYS 30 HG1 LYS 30 -9.195 -3.947 14.286 252 1HD LYS 30 HD2 LYS 30 -10.258 -2.463 15.848 253 2HD LYS 30 HD1 LYS 30 -11.416 -3.711 16.311 254 1HE LYS 30 HE2 LYS 30 -9.566 -5.074 17.185 255 2HE LYS 30 HE1 LYS 30 -8.436 -3.787 16.762 256 1HZ LYS 30 HZ1 LYS 30 -9.450 -2.338 18.327 257 2HZ LYS 30 HZ2 LYS 30 -9.160 -3.802 19.129 258 3HZ LYS 30 HZ3 LYS 30 -10.725 -3.415 18.614 259 H LEU 31 HN LEU 31 -11.977 -2.635 11.115 260 HA LEU 31 HA LEU 31 -14.743 -3.242 11.079 261 1HB LEU 31 HB2 LEU 31 -13.145 -1.185 9.575 262 2HB LEU 31 HB1 LEU 31 -14.893 -1.292 9.508 263 HG LEU 31 HG LEU 31 -13.227 -0.681 11.950 264 1HD1 LEU 31 HD11 LEU 31 -13.394 1.179 10.408 265 2HD1 LEU 31 HD12 LEU 31 -14.369 1.487 11.847 266 3HD1 LEU 31 HD13 LEU 31 -15.146 0.993 10.342 267 1HD2 LEU 31 HD21 LEU 31 -15.167 -2.035 12.546 268 2HD2 LEU 31 HD22 LEU 31 -16.220 -0.924 11.671 269 3HD2 LEU 31 HD23 LEU 31 -15.357 -0.373 13.106 270 H TYR 32 HN TYR 32 -12.128 -3.840 8.838 271 HA TYR 32 HA TYR 32 -13.658 -4.394 6.550 272 1HB TYR 32 HB2 TYR 32 -11.182 -4.186 6.530 273 2HB TYR 32 HB1 TYR 32 -11.067 -5.728 7.374 274 HD1 TYR 32 HD1 TYR 32 -12.230 -4.149 4.226 275 HD2 TYR 32 HD2 TYR 32 -11.122 -7.766 6.175 276 HE1 TYR 32 HE1 TYR 32 -12.274 -5.317 2.065 277 HE2 TYR 32 HE2 TYR 32 -11.161 -8.944 4.017 278 HH TYR 32 HH TYR 32 -12.229 -8.692 1.794 279 H GLU 33 HN GLU 33 -12.442 -6.608 9.067 280 HA GLU 33 HA GLU 33 -13.920 -8.824 8.035 281 1HB GLU 33 HB2 GLU 33 -12.156 -8.323 10.355 282 2HB GLU 33 HB1 GLU 33 -13.318 -9.633 10.529 283 1HG GLU 33 HG2 GLU 33 -11.518 -9.422 8.141 284 2HG GLU 33 HG1 GLU 33 -11.009 -10.220 9.632 285 H TYR 34 HN TYR 34 -14.511 -6.378 10.449 286 HA TYR 34 HA TYR 34 -16.718 -7.531 11.748 287 1HB TYR 34 HB2 TYR 34 -15.475 -5.474 12.483 288 2HB TYR 34 HB1 TYR 34 -16.277 -4.587 11.193 289 HD1 TYR 34 HD1 TYR 34 -18.657 -4.042 11.345 290 HD2 TYR 34 HD2 TYR 34 -16.678 -6.147 14.467 291 HE1 TYR 34 HE1 TYR 34 -20.543 -3.572 12.848 292 HE2 TYR 34 HE2 TYR 34 -18.560 -5.683 15.979 293 HH TYR 34 HH TYR 34 -21.545 -4.551 14.902 294 H LEU 35 HN LEU 35 -16.591 -5.329 8.951 295 HA LEU 35 HA LEU 35 -19.443 -5.527 8.559 296 1HB LEU 35 HB2 LEU 35 -17.327 -4.270 6.818 297 2HB LEU 35 HB1 LEU 35 -19.058 -4.083 6.618 298 HG LEU 35 HG LEU 35 -17.413 -3.088 8.946 299 1HD1 LEU 35 HD11 LEU 35 -17.123 -1.795 6.899 300 2HD1 LEU 35 HD12 LEU 35 -18.008 -0.878 8.119 301 3HD1 LEU 35 HD13 LEU 35 -18.871 -1.608 6.763 302 1HD2 LEU 35 HD21 LEU 35 -20.369 -2.809 8.417 303 2HD2 LEU 35 HD22 LEU 35 -19.475 -2.072 9.747 304 3HD2 LEU 35 HD23 LEU 35 -19.638 -3.826 9.657 305 H ASN 36 HN ASN 36 -16.673 -7.242 7.536 306 HA ASN 36 HA ASN 36 -17.707 -8.351 5.131 307 1HB ASN 36 HB2 ASN 36 -15.302 -8.389 5.766 308 2HB ASN 36 HB1 ASN 36 -15.681 -9.525 7.051 309 1HD2 ASN 36 HD21 ASN 36 -14.270 -11.029 6.188 310 2HD2 ASN 36 HD22 ASN 36 -14.663 -11.941 4.772 311 H GLU 37 HN GLU 37 -18.044 -9.072 8.516 312 HA GLU 37 HA GLU 37 -19.417 -11.571 8.090 313 1HB GLU 37 HB2 GLU 37 -18.044 -11.176 10.097 314 2HB GLU 37 HB1 GLU 37 -19.123 -9.875 10.579 315 1HG GLU 37 HG2 GLU 37 -20.910 -11.397 10.967 316 2HG GLU 37 HG1 GLU 37 -20.011 -12.726 10.236 317 H ASN 38 HN ASN 38 -20.233 -8.248 8.176 318 HA ASN 38 HA ASN 38 -23.064 -8.784 8.673 319 1HB ASN 38 HB2 ASN 38 -21.403 -6.282 8.579 320 2HB ASN 38 HB1 ASN 38 -23.153 -6.190 8.406 321 1HD2 ASN 38 HD21 ASN 38 -20.520 -6.980 10.569 322 2HD2 ASN 38 HD22 ASN 38 -21.468 -7.000 12.021 323 HA PRO 39 HA PRO 39 -23.266 -9.295 4.288 324 1HB PRO 39 HB2 PRO 39 -25.795 -10.188 4.140 325 2HB PRO 39 HB1 PRO 39 -24.493 -11.158 4.836 326 1HG PRO 39 HG2 PRO 39 -26.580 -9.517 6.222 327 2HG PRO 39 HG1 PRO 39 -26.000 -11.148 6.610 328 1HD PRO 39 HD2 PRO 39 -25.147 -8.903 7.905 329 2HD PRO 39 HD1 PRO 39 -24.152 -10.360 7.716 330 H TYR 40 HN TYR 40 -23.942 -6.544 5.429 331 HA TYR 40 HA TYR 40 -25.627 -5.785 3.152 332 1HB TYR 40 HB2 TYR 40 -26.490 -3.867 4.632 333 2HB TYR 40 HB1 TYR 40 -27.169 -5.470 4.861 334 HD1 TYR 40 HD1 TYR 40 -26.426 -6.825 6.845 335 HD2 TYR 40 HD2 TYR 40 -25.437 -2.715 6.388 336 HE1 TYR 40 HE1 TYR 40 -25.964 -6.676 9.253 337 HE2 TYR 40 HE2 TYR 40 -24.962 -2.557 8.795 338 HH TYR 40 HH TYR 40 -24.641 -5.283 10.788 339 H PHE 41 HN PHE 41 -22.684 -5.812 3.862 340 HA PHE 41 HA PHE 41 -22.174 -3.107 2.833 341 1HB PHE 41 HB2 PHE 41 -20.703 -4.586 4.998 342 2HB PHE 41 HB1 PHE 41 -19.886 -3.371 4.026 343 HD1 PHE 41 HD1 PHE 41 -20.568 -1.025 4.147 344 HD2 PHE 41 HD2 PHE 41 -22.274 -3.979 6.689 345 HE1 PHE 41 HE1 PHE 41 -21.401 0.742 5.635 346 HE2 PHE 41 HE2 PHE 41 -23.112 -2.211 8.181 347 HZ PHE 41 HZ PHE 41 -22.675 0.150 7.655 348 H ILE 42 HN ILE 42 -20.948 -3.041 1.026 349 HA ILE 42 HA ILE 42 -19.577 -5.492 0.183 350 HB ILE 42 HB ILE 42 -20.518 -3.059 -1.257 351 1HG1 ILE 42 HG12 ILE 42 -20.402 -6.002 -1.951 352 2HG1 ILE 42 HG11 ILE 42 -21.798 -5.139 -1.323 353 1HG2 ILE 42 HG21 ILE 42 -19.062 -3.531 -3.186 354 2HG2 ILE 42 HG22 ILE 42 -18.168 -4.693 -2.205 355 3HG2 ILE 42 HG23 ILE 42 -18.160 -2.982 -1.773 356 1HD1 ILE 42 HD11 ILE 42 -21.890 -3.795 -3.353 357 2HD1 ILE 42 HD12 ILE 42 -21.985 -5.519 -3.715 358 3HD1 ILE 42 HD13 ILE 42 -20.476 -4.644 -3.977 359 H LEU 43 HN LEU 43 -17.478 -5.732 0.483 360 HA LEU 43 HA LEU 43 -15.863 -3.331 1.017 361 1HB LEU 43 HB2 LEU 43 -15.610 -6.049 2.305 362 2HB LEU 43 HB1 LEU 43 -14.465 -4.738 2.513 363 HG LEU 43 HG LEU 43 -16.594 -3.429 3.343 364 1HD1 LEU 43 HD11 LEU 43 -18.212 -5.155 2.842 365 2HD1 LEU 43 HD12 LEU 43 -18.121 -4.896 4.583 366 3HD1 LEU 43 HD13 LEU 43 -17.342 -6.302 3.860 367 1HD2 LEU 43 HD21 LEU 43 -14.545 -3.951 4.617 368 2HD2 LEU 43 HD22 LEU 43 -15.250 -5.509 5.056 369 3HD2 LEU 43 HD23 LEU 43 -16.008 -4.012 5.596 370 H THR 44 HN THR 44 -14.098 -3.091 -0.152 371 HA THR 44 HA THR 44 -13.141 -5.384 -1.729 372 HB THR 44 HB THR 44 -13.273 -2.508 -2.672 373 HG1 THR 44 HG1 THR 44 -14.721 -3.982 -4.246 374 1HG2 THR 44 HG21 THR 44 -11.389 -3.727 -3.625 375 2HG2 THR 44 HG22 THR 44 -12.628 -3.455 -4.852 376 3HG2 THR 44 HG23 THR 44 -12.461 -5.043 -4.103 377 H GLN 45 HN GLN 45 -11.086 -5.853 -1.350 378 HA GLN 45 HA GLN 45 -9.388 -3.934 0.009 379 1HB GLN 45 HB2 GLN 45 -7.752 -5.921 -0.027 380 2HB GLN 45 HB1 GLN 45 -9.178 -6.043 0.989 381 1HG GLN 45 HG2 GLN 45 -9.653 -7.966 0.021 382 2HG GLN 45 HG1 GLN 45 -9.915 -7.109 -1.496 383 1HE2 GLN 45 HE21 GLN 45 -7.661 -8.947 0.417 384 2HE2 GLN 45 HE22 GLN 45 -6.580 -9.342 -0.880 385 H GLU 46 HN GLU 46 -8.308 -2.531 -1.144 386 HA GLU 46 HA GLU 46 -7.438 -3.253 -3.850 387 1HB GLU 46 HB2 GLU 46 -7.854 -0.606 -2.471 388 2HB GLU 46 HB1 GLU 46 -6.956 -0.735 -3.976 389 1HG GLU 46 HG2 GLU 46 -9.796 -1.654 -3.606 390 2HG GLU 46 HG1 GLU 46 -9.322 -0.089 -4.270 391 H LEU 47 HN LEU 47 -5.293 -2.888 -4.495 392 HA LEU 47 HA LEU 47 -3.350 -3.168 -2.379 393 1HB LEU 47 HB2 LEU 47 -3.086 -3.104 -5.386 394 2HB LEU 47 HB1 LEU 47 -1.710 -3.236 -4.312 395 HG LEU 47 HG LEU 47 -2.835 -5.352 -3.400 396 1HD1 LEU 47 HD11 LEU 47 -4.371 -6.488 -4.894 397 2HD1 LEU 47 HD12 LEU 47 -4.363 -5.105 -5.986 398 3HD1 LEU 47 HD13 LEU 47 -5.054 -4.947 -4.372 399 1HD2 LEU 47 HD21 LEU 47 -0.844 -5.399 -4.787 400 2HD2 LEU 47 HD22 LEU 47 -1.833 -5.269 -6.241 401 3HD2 LEU 47 HD23 LEU 47 -1.934 -6.713 -5.235 402 H ASN 48 HN ASN 48 -1.327 -1.809 -2.500 403 HA ASN 48 HA ASN 48 -2.045 0.987 -3.049 404 1HB ASN 48 HB2 ASN 48 -0.300 -0.222 -0.912 405 2HB ASN 48 HB1 ASN 48 -0.163 1.475 -1.359 406 1HD2 ASN 48 HD21 ASN 48 -1.859 2.877 -0.916 407 2HD2 ASN 48 HD22 ASN 48 -3.098 2.477 0.226 408 H ASN 49 HN ASN 49 0.269 2.255 -3.138 409 HA ASN 49 HA ASN 49 1.285 1.537 -5.673 410 1HB ASN 49 HB2 ASN 49 2.338 3.495 -3.625 411 2HB ASN 49 HB1 ASN 49 2.966 3.343 -5.262 412 1HD2 ASN 49 HD21 ASN 49 1.698 4.035 -6.999 413 2HD2 ASN 49 HD22 ASN 49 0.338 5.078 -6.774 414 H GLN 50 HN GLN 50 2.778 0.132 -6.214 415 HA GLN 50 HA GLN 50 4.366 -1.169 -4.177 416 1HB GLN 50 HB2 GLN 50 4.106 -1.635 -7.151 417 2HB GLN 50 HB1 GLN 50 5.130 -2.594 -6.092 418 1HG GLN 50 HG2 GLN 50 3.238 -3.382 -4.864 419 2HG GLN 50 HG1 GLN 50 2.162 -2.290 -5.735 420 1HE2 GLN 50 HE21 GLN 50 4.080 -5.188 -5.923 421 2HE2 GLN 50 HE22 GLN 50 3.357 -5.804 -7.374 422 H LYS 51 HN LYS 51 6.729 -1.633 -4.793 423 HA LYS 51 HA LYS 51 7.980 0.961 -5.017 424 1HB LYS 51 HB2 LYS 51 9.151 -1.774 -4.483 425 2HB LYS 51 HB1 LYS 51 10.087 -0.290 -4.518 426 1HG LYS 51 HG2 LYS 51 9.740 -0.647 -2.266 427 2HG LYS 51 HG1 LYS 51 8.477 0.514 -2.678 428 1HD LYS 51 HD2 LYS 51 6.807 -1.159 -2.669 429 2HD LYS 51 HD1 LYS 51 8.003 -2.458 -2.658 430 1HE LYS 51 HE2 LYS 51 7.500 -0.485 -0.431 431 2HE LYS 51 HE1 LYS 51 6.994 -2.174 -0.456 432 1HZ LYS 51 HZ1 LYS 51 9.803 -1.206 -0.518 433 2HZ LYS 51 HZ2 LYS 51 9.325 -2.829 -0.551 434 3HZ LYS 51 HZ3 LYS 51 9.022 -1.882 0.825 435 H ASP 52 HN ASP 52 8.564 1.772 -6.907 436 HA ASP 52 HA ASP 52 9.221 0.076 -9.157 437 1HB ASP 52 HB2 ASP 52 8.122 2.425 -9.259 438 2HB ASP 52 HB1 ASP 52 9.745 3.045 -8.979 439 H ASP 53 HN ASP 53 10.969 -1.113 -8.489 440 HA ASP 53 HA ASP 53 13.019 -0.331 -6.801 441 1HB ASP 53 HB2 ASP 53 12.289 -2.667 -7.944 442 2HB ASP 53 HB1 ASP 53 13.723 -2.305 -8.897 443 HA PRO 54 HA PRO 54 15.249 2.191 -9.777 444 1HB PRO 54 HB2 PRO 54 16.212 3.937 -7.946 445 2HB PRO 54 HB1 PRO 54 14.546 3.975 -8.525 446 1HG PRO 54 HG2 PRO 54 15.571 3.216 -5.897 447 2HG PRO 54 HG1 PRO 54 13.909 3.575 -6.384 448 1HD PRO 54 HD2 PRO 54 15.210 0.985 -6.048 449 2HD PRO 54 HD1 PRO 54 13.486 1.353 -6.265 450 H ILE 55 HN ILE 55 16.891 0.883 -10.468 451 HA ILE 55 HA ILE 55 19.502 1.491 -10.017 452 HB ILE 55 HB ILE 55 19.111 0.629 -7.682 453 1HG1 ILE 55 HG12 ILE 55 21.235 -0.650 -7.585 454 2HG1 ILE 55 HG11 ILE 55 21.214 -0.775 -9.342 455 1HG2 ILE 55 HG21 ILE 55 17.665 -1.241 -8.170 456 2HG2 ILE 55 HG22 ILE 55 19.112 -1.800 -7.331 457 3HG2 ILE 55 HG23 ILE 55 18.955 -2.037 -9.072 458 1HD1 ILE 55 HD11 ILE 55 21.386 1.778 -7.757 459 2HD1 ILE 55 HD12 ILE 55 21.365 1.653 -9.516 460 3HD1 ILE 55 HD13 ILE 55 22.714 0.981 -8.600 461 H ASN 56 HN ASN 56 17.616 0.642 -11.971 462 HA ASN 56 HA ASN 56 18.965 -1.470 -13.357 463 1HB ASN 56 HB2 ASN 56 17.622 -2.858 -11.880 464 2HB ASN 56 HB1 ASN 56 16.179 -1.922 -12.248 465 1HD2 ASN 56 HD21 ASN 56 15.056 -3.730 -12.932 466 2HD2 ASN 56 HD22 ASN 56 15.396 -4.534 -14.421 467 H TYR 57 HN TYR 57 19.169 0.078 -14.954 468 HA TYR 57 HA TYR 57 16.726 0.695 -16.450 469 1HB TYR 57 HB2 TYR 57 18.864 2.748 -15.831 470 2HB TYR 57 HB1 TYR 57 17.427 3.004 -16.807 471 HD1 TYR 57 HD1 TYR 57 15.218 3.189 -15.736 472 HD2 TYR 57 HD2 TYR 57 18.778 2.810 -13.439 473 HE1 TYR 57 HE1 TYR 57 14.019 4.008 -13.752 474 HE2 TYR 57 HE2 TYR 57 17.587 3.614 -11.445 475 HH TYR 57 HH TYR 57 14.262 3.812 -11.226 476 H THR 58 HN THR 58 17.230 1.388 -18.675 477 HA THR 58 HA THR 58 19.288 -0.049 -19.934 478 HB THR 58 HB THR 58 17.991 2.400 -21.088 479 HG1 THR 58 HG1 THR 58 16.135 1.376 -21.206 480 1HG2 THR 58 HG21 THR 58 19.754 1.315 -22.413 481 2HG2 THR 58 HG22 THR 58 18.175 1.160 -23.183 482 3HG2 THR 58 HG23 THR 58 18.875 -0.212 -22.325 483 H GLU 59 HN GLU 59 21.320 0.576 -20.669 484 HA GLU 59 HA GLU 59 22.698 2.599 -19.325 485 1HB GLU 59 HB2 GLU 59 24.359 2.373 -21.246 486 2HB GLU 59 HB1 GLU 59 24.017 0.928 -20.310 487 1HG GLU 59 HG2 GLU 59 22.477 0.166 -22.026 488 2HG GLU 59 HG1 GLU 59 22.819 1.612 -22.977 489 H SER 60 HN SER 60 21.023 2.597 -22.429 490 HA SER 60 HA SER 60 21.602 5.239 -23.166 491 1HB SER 60 HB2 SER 60 19.081 3.669 -23.758 492 2HB SER 60 HB1 SER 60 19.716 5.036 -24.677 493 HG SER 60 HG SER 60 21.586 3.737 -25.114 494 H GLU 61 HN GLU 61 19.231 3.847 -20.957 495 HA GLU 61 HA GLU 61 17.776 6.296 -20.564 496 1HB GLU 61 HB2 GLU 61 17.723 3.569 -19.491 497 2HB GLU 61 HB1 GLU 61 17.373 4.792 -18.279 498 1HG GLU 61 HG2 GLU 61 15.343 3.948 -19.291 499 2HG GLU 61 HG1 GLU 61 15.567 5.656 -19.654 500 H LEU 62 HN LEU 62 20.634 4.860 -19.249 501 HA LEU 62 HA LEU 62 20.701 6.632 -16.958 502 1HB LEU 62 HB2 LEU 62 22.614 4.507 -17.923 503 2HB LEU 62 HB1 LEU 62 22.825 5.430 -16.445 504 HG LEU 62 HG LEU 62 20.436 3.666 -16.998 505 1HD1 LEU 62 HD11 LEU 62 22.390 2.264 -16.853 506 2HD1 LEU 62 HD12 LEU 62 21.447 2.120 -15.363 507 3HD1 LEU 62 HD13 LEU 62 22.919 3.098 -15.391 508 1HD2 LEU 62 HD21 LEU 62 20.002 5.467 -15.431 509 2HD2 LEU 62 HD22 LEU 62 21.419 5.007 -14.487 510 3HD2 LEU 62 HD23 LEU 62 20.040 3.913 -14.600 511 H LYS 63 HN LYS 63 21.909 6.559 -20.172 512 HA LYS 63 HA LYS 63 24.068 8.386 -19.842 513 1HB LYS 63 HB2 LYS 63 22.405 7.564 -22.217 514 2HB LYS 63 HB1 LYS 63 23.663 8.782 -22.344 515 1HG LYS 63 HG2 LYS 63 24.178 6.009 -21.313 516 2HG LYS 63 HG1 LYS 63 24.298 6.443 -23.018 517 1HD LYS 63 HD2 LYS 63 25.961 8.185 -22.398 518 2HD LYS 63 HD1 LYS 63 25.901 7.595 -20.736 519 1HE LYS 63 HE2 LYS 63 26.734 5.445 -21.410 520 2HE LYS 63 HE1 LYS 63 26.620 5.888 -23.111 521 1HZ LYS 63 HZ1 LYS 63 28.274 7.690 -22.586 522 2HZ LYS 63 HZ2 LYS 63 28.864 6.106 -22.524 523 3HZ LYS 63 HZ3 LYS 63 28.521 6.935 -21.085 524 H GLY 64 HN GLY 64 20.650 8.754 -20.706 525 1HA GLY 64 HA2 GLY 64 20.843 11.632 -20.853 526 2HA GLY 64 HA1 GLY 64 19.373 10.675 -20.978 527 H MET 65 HN MET 65 20.877 9.555 -18.342 528 HA MET 65 HA MET 65 19.143 11.042 -16.548 529 1HB MET 65 HB2 MET 65 19.151 8.628 -16.370 530 2HB MET 65 HB1 MET 65 20.898 8.607 -16.180 531 1HG MET 65 HG2 MET 65 20.709 9.708 -14.042 532 2HG MET 65 HG1 MET 65 18.961 9.830 -14.235 533 1HE MET 65 HE1 MET 65 18.120 7.109 -15.471 534 2HE MET 65 HE2 MET 65 17.296 7.817 -14.082 535 3HE MET 65 HE3 MET 65 17.804 6.129 -14.038 536 H ASN 66 HN ASN 66 19.831 12.510 -15.070 537 HA ASN 66 HA ASN 66 22.526 13.498 -15.389 538 1HB ASN 66 HB2 ASN 66 20.364 14.519 -13.541 539 2HB ASN 66 HB1 ASN 66 21.820 15.376 -14.041 540 1HD2 ASN 66 HD21 ASN 66 18.631 14.367 -14.929 541 2HD2 ASN 66 HD22 ASN 66 18.522 15.320 -16.383 542 H LYS 67 HN LYS 67 23.544 14.365 -13.215 543 HA LYS 67 HA LYS 67 24.447 12.019 -11.920 544 1HB LYS 67 HB2 LYS 67 25.804 13.549 -10.526 545 2HB LYS 67 HB1 LYS 67 25.967 13.852 -12.249 546 1HG LYS 67 HG2 LYS 67 24.636 15.810 -12.124 547 2HG LYS 67 HG1 LYS 67 24.125 15.435 -10.476 548 1HD LYS 67 HD2 LYS 67 26.946 16.090 -11.340 549 2HD LYS 67 HD1 LYS 67 25.839 17.193 -10.518 550 1HE LYS 67 HE2 LYS 67 25.751 15.670 -8.602 551 2HE LYS 67 HE1 LYS 67 26.858 14.572 -9.425 552 1HZ LYS 67 HZ1 LYS 67 28.528 16.358 -9.404 553 2HZ LYS 67 HZ2 LYS 67 28.046 15.901 -7.846 554 3HZ LYS 67 HZ3 LYS 67 27.458 17.342 -8.526 555 H ALA 68 HN ALA 68 22.210 14.560 -10.923 556 HA ALA 68 HA ALA 68 22.202 14.087 -8.174 557 1HB ALA 68 HB1 ALA 68 21.194 16.058 -9.214 558 2HB ALA 68 HB2 ALA 68 20.060 15.239 -8.140 559 3HB ALA 68 HB3 ALA 68 19.915 15.047 -9.887 560 H GLU 69 HN GLU 69 19.936 12.854 -10.626 561 HA GLU 69 HA GLU 69 18.595 11.123 -8.851 562 1HB GLU 69 HB2 GLU 69 17.820 9.992 -11.006 563 2HB GLU 69 HB1 GLU 69 17.397 11.682 -10.784 564 1HG GLU 69 HG2 GLU 69 19.874 11.015 -12.285 565 2HG GLU 69 HG1 GLU 69 18.317 10.772 -13.067 566 H HIS 70 HN HIS 70 21.223 10.464 -11.206 567 HA HIS 70 HA HIS 70 21.692 7.821 -10.854 568 1HB HIS 70 HB2 HIS 70 23.495 10.149 -11.259 569 2HB HIS 70 HB1 HIS 70 24.242 8.631 -10.787 570 HD1 HIS 70 HD1 HIS 70 23.146 6.546 -12.440 571 HD2 HIS 70 HD2 HIS 70 23.543 10.400 -13.933 572 HE1 HIS 70 HE1 HIS 70 23.225 6.295 -14.928 573 HE2 HIS 70 HE2 HIS 70 23.291 8.650 -15.825 574 H GLU 71 HN GLU 71 22.941 10.381 -8.703 575 HA GLU 71 HA GLU 71 24.203 8.547 -6.948 576 1HB GLU 71 HB2 GLU 71 23.430 11.440 -6.588 577 2HB GLU 71 HB1 GLU 71 24.375 10.526 -5.418 578 1HG GLU 71 HG2 GLU 71 26.075 10.119 -7.142 579 2HG GLU 71 HG1 GLU 71 25.138 11.097 -8.270 580 H SER 72 HN SER 72 21.085 10.232 -6.821 581 HA SER 72 HA SER 72 20.328 9.395 -4.251 582 1HB SER 72 HB2 SER 72 18.540 9.959 -6.630 583 2HB SER 72 HB1 SER 72 18.044 9.957 -4.937 584 HG SER 72 HG SER 72 19.759 11.766 -6.282 585 H ILE 73 HN ILE 73 19.918 7.888 -7.406 586 HA ILE 73 HA ILE 73 18.260 5.759 -6.696 587 HB ILE 73 HB ILE 73 20.350 6.007 -8.855 588 1HG1 ILE 73 HG12 ILE 73 17.327 6.049 -8.976 589 2HG1 ILE 73 HG11 ILE 73 18.353 7.479 -8.986 590 1HG2 ILE 73 HG21 ILE 73 18.340 3.791 -8.482 591 2HG2 ILE 73 HG22 ILE 73 20.093 3.647 -8.357 592 3HG2 ILE 73 HG23 ILE 73 19.349 4.029 -9.909 593 1HD1 ILE 73 HD11 ILE 73 19.351 6.763 -11.084 594 2HD1 ILE 73 HD12 ILE 73 17.597 6.899 -11.221 595 3HD1 ILE 73 HD13 ILE 73 18.349 5.312 -11.069 596 H ILE 74 HN ILE 74 21.820 5.741 -7.032 597 HA ILE 74 HA ILE 74 21.987 3.035 -6.168 598 HB ILE 74 HB ILE 74 24.378 4.829 -6.069 599 1HG1 ILE 74 HG12 ILE 74 23.147 3.737 -8.616 600 2HG1 ILE 74 HG11 ILE 74 23.119 5.432 -8.142 601 1HG2 ILE 74 HG21 ILE 74 25.459 2.808 -6.939 602 2HG2 ILE 74 HG22 ILE 74 23.887 2.010 -7.024 603 3HG2 ILE 74 HG23 ILE 74 24.561 2.470 -5.456 604 1HD1 ILE 74 HD11 ILE 74 25.566 5.483 -8.234 605 2HD1 ILE 74 HD12 ILE 74 24.850 5.026 -9.779 606 3HD1 ILE 74 HD13 ILE 74 25.573 3.795 -8.744 607 H SER 75 HN SER 75 22.078 6.096 -4.520 608 HA SER 75 HA SER 75 23.183 5.147 -2.085 609 1HB SER 75 HB2 SER 75 21.331 7.484 -2.613 610 2HB SER 75 HB1 SER 75 22.150 7.181 -1.081 611 HG SER 75 HG SER 75 23.204 7.997 -3.552 612 H ASN 76 HN ASN 76 19.969 5.104 -3.482 613 HA ASN 76 HA ASN 76 18.673 4.157 -1.103 614 1HB ASN 76 HB2 ASN 76 17.877 4.486 -3.961 615 2HB ASN 76 HB1 ASN 76 16.947 3.367 -2.971 616 1HD2 ASN 76 HD21 ASN 76 17.843 6.685 -3.480 617 2HD2 ASN 76 HD22 ASN 76 16.614 7.377 -2.468 618 H LEU 77 HN LEU 77 20.389 2.723 -3.764 619 HA LEU 77 HA LEU 77 19.667 0.032 -3.383 620 1HB LEU 77 HB2 LEU 77 20.919 0.748 -5.336 621 2HB LEU 77 HB1 LEU 77 22.261 1.252 -4.329 622 HG LEU 77 HG LEU 77 22.544 -1.152 -3.650 623 1HD1 LEU 77 HD11 LEU 77 20.322 -1.961 -4.198 624 2HD1 LEU 77 HD12 LEU 77 21.545 -2.856 -5.100 625 3HD1 LEU 77 HD13 LEU 77 20.596 -1.606 -5.904 626 1HD2 LEU 77 HD21 LEU 77 22.822 -0.486 -6.576 627 2HD2 LEU 77 HD22 LEU 77 23.657 -1.792 -5.736 628 3HD2 LEU 77 HD23 LEU 77 23.987 -0.115 -5.305 629 H GLY 78 HN GLY 78 21.889 2.131 -1.690 630 1HA GLY 78 HA2 GLY 78 22.364 1.664 0.642 631 2HA GLY 78 HA1 GLY 78 22.383 -0.047 0.239 632 H ARG 79 HN ARG 79 23.859 1.595 -2.215 633 HA ARG 79 HA ARG 79 26.514 1.498 -0.952 634 1HB ARG 79 HB2 ARG 79 25.866 -0.439 -2.597 635 2HB ARG 79 HB1 ARG 79 26.121 0.773 -3.842 636 1HG ARG 79 HG2 ARG 79 28.181 -0.039 -1.802 637 2HG ARG 79 HG1 ARG 79 28.075 -0.690 -3.436 638 1HD ARG 79 HD2 ARG 79 28.323 1.669 -4.275 639 2HD ARG 79 HD1 ARG 79 28.678 2.144 -2.614 640 HE ARG 79 HE ARG 79 30.337 -0.010 -3.452 641 1HH1 ARG 79 HH11 ARG 79 29.956 3.469 -3.669 642 2HH1 ARG 79 HH12 ARG 79 31.629 3.752 -4.072 643 1HH2 ARG 79 HH21 ARG 79 32.506 0.343 -3.975 644 2HH2 ARG 79 HH22 ARG 79 33.076 1.963 -4.261 645 H ASN 80 HN ASN 80 26.889 3.609 -0.749 646 HA ASN 80 HA ASN 80 25.751 5.554 -2.488 647 1HB ASN 80 HB2 ASN 80 27.909 5.901 -0.395 648 2HB ASN 80 HB1 ASN 80 26.970 7.193 -1.136 649 1HD2 ASN 80 HD21 ASN 80 24.771 7.401 -0.613 650 2HD2 ASN 80 HD22 ASN 80 24.129 6.703 0.833 651 HA PRO 81 HA PRO 81 29.116 5.627 -5.410 652 1HB PRO 81 HB2 PRO 81 28.023 7.358 -7.134 653 2HB PRO 81 HB1 PRO 81 27.379 5.721 -6.948 654 1HG PRO 81 HG2 PRO 81 26.348 8.300 -5.848 655 2HG PRO 81 HG1 PRO 81 25.449 6.928 -6.519 656 1HD PRO 81 HD2 PRO 81 25.827 7.417 -3.817 657 2HD PRO 81 HD1 PRO 81 25.410 5.842 -4.518 658 H SER 82 HN SER 82 29.542 7.108 -3.048 659 HA SER 82 HA SER 82 29.839 9.892 -3.549 660 1HB SER 82 HB2 SER 82 29.521 8.999 -1.279 661 2HB SER 82 HB1 SER 82 31.075 8.174 -1.381 662 HG SER 82 HG SER 82 30.951 10.957 -1.805 663 H ASP 83 HN ASP 83 31.922 7.111 -3.944 664 HA ASP 83 HA ASP 83 34.275 8.743 -4.375 665 1HB ASP 83 HB2 ASP 83 35.459 6.662 -4.726 666 2HB ASP 83 HB1 ASP 83 34.442 6.513 -3.298 667 H PHE 84 HN PHE 84 31.687 7.511 -6.216 668 HA PHE 84 HA PHE 84 33.094 7.661 -8.746 669 1HB PHE 84 HB2 PHE 84 30.152 7.247 -8.151 670 2HB PHE 84 HB1 PHE 84 30.889 7.145 -9.747 671 HD1 PHE 84 HD1 PHE 84 32.976 5.475 -9.825 672 HD2 PHE 84 HD2 PHE 84 29.759 5.290 -7.053 673 HE1 PHE 84 HE1 PHE 84 33.436 3.088 -9.459 674 HE2 PHE 84 HE2 PHE 84 30.210 2.901 -6.678 675 HZ PHE 84 HZ PHE 84 32.052 1.796 -7.881 676 H LYS 85 HN LYS 85 33.396 9.512 -9.772 677 HA LYS 85 HA LYS 85 31.696 11.795 -9.006 678 1HB LYS 85 HB2 LYS 85 34.589 11.713 -9.881 679 2HB LYS 85 HB1 LYS 85 33.670 13.198 -9.656 680 1HG LYS 85 HG2 LYS 85 33.405 12.769 -7.324 681 2HG LYS 85 HG1 LYS 85 34.084 11.150 -7.490 682 1HD LYS 85 HD2 LYS 85 35.607 13.682 -8.088 683 2HD LYS 85 HD1 LYS 85 35.649 12.855 -6.532 684 1HE LYS 85 HE2 LYS 85 36.455 11.658 -9.179 685 2HE LYS 85 HE1 LYS 85 37.566 12.258 -7.950 686 1HZ LYS 85 HZ1 LYS 85 37.308 9.849 -7.854 687 2HZ LYS 85 HZ2 LYS 85 35.647 10.020 -7.574 688 3HZ LYS 85 HZ3 LYS 85 36.758 10.579 -6.424 689 H ASN 86 HN ASN 86 32.758 9.810 -11.577 690 HA ASN 86 HA ASN 86 31.797 11.696 -13.597 691 1HB ASN 86 HB2 ASN 86 33.177 9.021 -13.877 692 2HB ASN 86 HB1 ASN 86 32.612 9.988 -15.232 693 1HD2 ASN 86 HD21 ASN 86 34.701 10.115 -16.048 694 2HD2 ASN 86 HD22 ASN 86 35.898 11.145 -15.340 695 H ALA 87 HN ALA 87 30.089 11.238 -14.964 696 HA ALA 87 HA ALA 87 27.914 9.893 -13.796 697 1HB ALA 87 HB1 ALA 87 27.675 11.802 -15.310 698 2HB ALA 87 HB2 ALA 87 26.703 10.425 -15.829 699 3HB ALA 87 HB3 ALA 87 28.217 10.798 -16.654 700 H ASP 88 HN ASP 88 30.268 8.848 -16.176 701 HA ASP 88 HA ASP 88 28.758 6.654 -17.149 702 1HB ASP 88 HB2 ASP 88 31.651 7.417 -17.357 703 2HB ASP 88 HB1 ASP 88 31.075 5.867 -17.967 704 H GLU 89 HN GLU 89 31.279 6.904 -14.646 705 HA GLU 89 HA GLU 89 31.396 4.176 -14.016 706 1HB GLU 89 HB2 GLU 89 31.834 6.629 -12.316 707 2HB GLU 89 HB1 GLU 89 32.033 5.004 -11.677 708 1HG GLU 89 HG2 GLU 89 34.181 5.489 -12.258 709 2HG GLU 89 HG1 GLU 89 33.622 4.724 -13.742 710 H ARG 90 HN ARG 90 29.111 6.667 -13.107 711 HA ARG 90 HA ARG 90 27.698 5.162 -11.160 712 1HB ARG 90 HB2 ARG 90 26.497 7.284 -12.942 713 2HB ARG 90 HB1 ARG 90 25.986 6.821 -11.325 714 1HG ARG 90 HG2 ARG 90 28.063 7.740 -10.411 715 2HG ARG 90 HG1 ARG 90 28.555 8.217 -12.038 716 1HD ARG 90 HD2 ARG 90 26.367 9.512 -12.144 717 2HD ARG 90 HD1 ARG 90 26.256 9.253 -10.403 718 HE ARG 90 HE ARG 90 28.044 11.054 -11.797 719 1HH1 ARG 90 HH11 ARG 90 27.481 9.308 -8.805 720 2HH1 ARG 90 HH12 ARG 90 28.405 10.412 -7.845 721 1HH2 ARG 90 HH21 ARG 90 29.239 12.503 -10.534 722 2HH2 ARG 90 HH22 ARG 90 29.390 12.242 -8.823 723 H ILE 91 HN ILE 91 27.388 5.581 -14.642 724 HA ILE 91 HA ILE 91 25.033 4.079 -15.023 725 HB ILE 91 HB ILE 91 27.339 4.564 -16.922 726 1HG1 ILE 91 HG12 ILE 91 24.634 5.903 -16.783 727 2HG1 ILE 91 HG11 ILE 91 26.093 6.575 -16.064 728 1HG2 ILE 91 HG21 ILE 91 26.048 2.607 -17.612 729 2HG2 ILE 91 HG22 ILE 91 25.778 3.957 -18.713 730 3HG2 ILE 91 HG23 ILE 91 24.558 3.545 -17.509 731 1HD1 ILE 91 HD11 ILE 91 25.585 7.585 -18.220 732 2HD1 ILE 91 HD12 ILE 91 25.685 6.000 -18.988 733 3HD1 ILE 91 HD13 ILE 91 27.121 6.719 -18.257 734 H ALA 92 HN ALA 92 28.458 3.188 -15.120 735 HA ALA 92 HA ALA 92 28.140 0.527 -15.923 736 1HB ALA 92 HB1 ALA 92 30.327 1.677 -14.196 737 2HB ALA 92 HB2 ALA 92 30.282 1.724 -15.958 738 3HB ALA 92 HB3 ALA 92 30.400 0.176 -15.121 739 H TYR 93 HN TYR 93 28.154 1.963 -12.674 740 HA TYR 93 HA TYR 93 28.111 -0.547 -11.337 741 1HB TYR 93 HB2 TYR 93 28.818 1.691 -10.337 742 2HB TYR 93 HB1 TYR 93 27.098 2.044 -10.170 743 HD1 TYR 93 HD1 TYR 93 29.808 -0.218 -9.102 744 HD2 TYR 93 HD2 TYR 93 25.804 1.047 -8.421 745 HE1 TYR 93 HE1 TYR 93 29.776 -1.476 -6.992 746 HE2 TYR 93 HE2 TYR 93 25.755 -0.210 -6.309 747 HH TYR 93 HH TYR 93 26.902 -2.110 -5.266 748 H ILE 94 HN ILE 94 25.588 1.729 -12.348 749 HA ILE 94 HA ILE 94 23.438 0.253 -11.217 750 HB ILE 94 HB ILE 94 23.365 2.159 -13.574 751 1HG1 ILE 94 HG12 ILE 94 22.819 2.650 -10.630 752 2HG1 ILE 94 HG11 ILE 94 24.233 3.211 -11.513 753 1HG2 ILE 94 HG21 ILE 94 21.397 0.764 -13.543 754 2HG2 ILE 94 HG22 ILE 94 20.966 2.385 -12.998 755 3HG2 ILE 94 HG23 ILE 94 21.157 1.081 -11.825 756 1HD1 ILE 94 HD11 ILE 94 22.620 5.012 -11.188 757 2HD1 ILE 94 HD12 ILE 94 21.385 4.066 -12.017 758 3HD1 ILE 94 HD13 ILE 94 22.800 4.632 -12.902 759 H LEU 95 HN LEU 95 25.151 0.140 -14.284 760 HA LEU 95 HA LEU 95 23.475 -1.679 -15.635 761 1HB LEU 95 HB2 LEU 95 26.293 -0.788 -15.921 762 2HB LEU 95 HB1 LEU 95 25.827 -2.265 -16.736 763 HG LEU 95 HG LEU 95 24.526 0.432 -17.152 764 1HD1 LEU 95 HD11 LEU 95 25.635 0.377 -19.324 765 2HD1 LEU 95 HD12 LEU 95 26.415 -1.143 -18.897 766 3HD1 LEU 95 HD13 LEU 95 26.815 0.330 -18.015 767 1HD2 LEU 95 HD21 LEU 95 24.138 -2.205 -18.566 768 2HD2 LEU 95 HD22 LEU 95 23.390 -0.673 -19.014 769 3HD2 LEU 95 HD23 LEU 95 22.982 -1.435 -17.478 770 H LYS 96 HN LYS 96 25.940 -2.183 -13.197 771 HA LYS 96 HA LYS 96 26.138 -5.004 -13.713 772 1HB LYS 96 HB2 LYS 96 27.940 -3.559 -12.638 773 2HB LYS 96 HB1 LYS 96 26.965 -3.579 -11.176 774 1HG LYS 96 HG2 LYS 96 27.787 -6.141 -12.482 775 2HG LYS 96 HG1 LYS 96 28.907 -5.265 -11.440 776 1HD LYS 96 HD2 LYS 96 27.625 -5.615 -9.550 777 2HD LYS 96 HD1 LYS 96 26.140 -5.846 -10.474 778 1HE LYS 96 HE2 LYS 96 28.463 -7.766 -10.386 779 2HE LYS 96 HE1 LYS 96 26.959 -7.943 -9.483 780 1HZ LYS 96 HZ1 LYS 96 27.222 -7.906 -12.445 781 2HZ LYS 96 HZ2 LYS 96 25.764 -8.027 -11.596 782 3HZ LYS 96 HZ3 LYS 96 26.911 -9.270 -11.490 783 H GLN 97 HN GLN 97 24.115 -2.937 -11.815 784 HA GLN 97 HA GLN 97 23.156 -5.051 -10.109 785 1HB GLN 97 HB2 GLN 97 22.970 -2.188 -10.185 786 2HB GLN 97 HB1 GLN 97 21.362 -2.881 -10.025 787 1HG GLN 97 HG2 GLN 97 22.298 -2.433 -7.852 788 2HG GLN 97 HG1 GLN 97 22.106 -4.168 -8.087 789 1HE2 GLN 97 HE21 GLN 97 24.685 -2.262 -9.504 790 2HE2 GLN 97 HE22 GLN 97 25.961 -2.965 -8.575 791 H ILE 98 HN ILE 98 22.586 -4.153 -13.266 792 HA ILE 98 HA ILE 98 19.868 -4.634 -13.674 793 HB ILE 98 HB ILE 98 22.137 -5.492 -15.487 794 1HG1 ILE 98 HG12 ILE 98 22.357 -3.129 -14.982 795 2HG1 ILE 98 HG11 ILE 98 21.793 -3.329 -16.636 796 1HG2 ILE 98 HG21 ILE 98 20.015 -6.498 -16.103 797 2HG2 ILE 98 HG22 ILE 98 20.501 -5.291 -17.294 798 3HG2 ILE 98 HG23 ILE 98 19.248 -4.910 -16.113 799 1HD1 ILE 98 HD11 ILE 98 20.094 -2.599 -14.271 800 2HD1 ILE 98 HD12 ILE 98 19.531 -2.787 -15.930 801 3HD1 ILE 98 HD13 ILE 98 20.666 -1.498 -15.525 802 H ASP 99 HN ASP 99 22.598 -6.847 -13.354 803 HA ASP 99 HA ASP 99 21.221 -9.257 -13.880 804 1HB ASP 99 HB2 ASP 99 23.651 -8.767 -12.144 805 2HB ASP 99 HB1 ASP 99 23.090 -10.350 -12.664 806 H ASN 100 HN ASN 100 21.973 -7.581 -10.871 807 HA ASN 100 HA ASN 100 21.080 -9.568 -9.107 808 1HB ASN 100 HB2 ASN 100 21.286 -6.579 -8.670 809 2HB ASN 100 HB1 ASN 100 21.158 -7.791 -7.399 810 1HD2 ASN 100 HD21 ASN 100 22.947 -8.937 -6.802 811 2HD2 ASN 100 HD22 ASN 100 24.530 -8.627 -7.425 812 H LYS 101 HN LYS 101 19.442 -6.693 -10.377 813 HA LYS 101 HA LYS 101 17.086 -7.201 -8.796 814 1HB LYS 101 HB2 LYS 101 17.706 -5.165 -10.932 815 2HB LYS 101 HB1 LYS 101 16.170 -5.241 -10.076 816 1HG LYS 101 HG2 LYS 101 18.818 -4.934 -8.688 817 2HG LYS 101 HG1 LYS 101 17.819 -3.571 -9.199 818 1HD LYS 101 HD2 LYS 101 16.006 -4.323 -7.782 819 2HD LYS 101 HD1 LYS 101 16.916 -5.769 -7.339 820 1HE LYS 101 HE2 LYS 101 18.490 -4.531 -6.109 821 2HE LYS 101 HE1 LYS 101 17.982 -3.010 -6.837 822 1HZ LYS 101 HZ1 LYS 101 15.891 -3.162 -5.662 823 2HZ LYS 101 HZ2 LYS 101 17.185 -3.233 -4.566 824 3HZ LYS 101 HZ3 LYS 101 16.347 -4.644 -4.974 825 H GLY 102 HN GLY 102 17.741 -7.121 -12.311 826 1HA GLY 102 HA2 GLY 102 16.653 -8.136 -14.057 827 2HA GLY 102 HA1 GLY 102 16.128 -9.351 -12.899 828 H GLU 103 HN GLU 103 14.038 -9.424 -12.355 829 HA GLU 103 HA GLU 103 12.374 -7.100 -12.306 830 1HB GLU 103 HB2 GLU 103 12.454 -7.768 -14.764 831 2HB GLU 103 HB1 GLU 103 11.612 -9.240 -14.299 832 1HG GLU 103 HG2 GLU 103 9.776 -7.863 -13.398 833 2HG GLU 103 HG1 GLU 103 10.609 -6.421 -13.974 834 H LEU 104 HN LEU 104 10.130 -7.703 -11.605 835 HA LEU 104 HA LEU 104 10.293 -9.869 -9.681 836 1HB LEU 104 HB2 LEU 104 8.190 -7.762 -10.185 837 2HB LEU 104 HB1 LEU 104 8.018 -9.021 -8.981 838 HG LEU 104 HG LEU 104 10.160 -8.115 -7.932 839 1HD1 LEU 104 HD11 LEU 104 9.503 -5.765 -9.704 840 2HD1 LEU 104 HD12 LEU 104 10.938 -6.784 -9.822 841 3HD1 LEU 104 HD13 LEU 104 10.687 -5.777 -8.397 842 1HD2 LEU 104 HD21 LEU 104 7.954 -7.786 -6.962 843 2HD2 LEU 104 HD22 LEU 104 7.697 -6.380 -7.994 844 3HD2 LEU 104 HD23 LEU 104 8.950 -6.346 -6.754 845 H GLU 105 HN GLU 105 8.993 -11.676 -9.650 846 HA GLU 105 HA GLU 105 8.008 -12.633 -12.143 847 1HB GLU 105 HB2 GLU 105 8.926 -14.167 -10.481 848 2HB GLU 105 HB1 GLU 105 7.673 -13.714 -9.335 849 1HG GLU 105 HG2 GLU 105 7.242 -15.885 -10.372 850 2HG GLU 105 HG1 GLU 105 5.978 -14.714 -10.736 851 H HIS 106 HN HIS 106 5.968 -12.698 -12.934 852 HA HIS 106 HA HIS 106 3.997 -11.078 -11.463 853 1HB HIS 106 HB2 HIS 106 4.092 -11.675 -14.430 854 2HB HIS 106 HB1 HIS 106 2.983 -10.575 -13.620 855 HD1 HIS 106 HD1 HIS 106 4.397 -8.556 -12.253 856 HD2 HIS 106 HD2 HIS 106 6.170 -10.400 -15.533 857 HE1 HIS 106 HE1 HIS 106 6.191 -6.972 -13.039 858 HE2 HIS 106 HE2 HIS 106 7.385 -8.214 -14.891 859 H HIS 107 HN HIS 107 4.520 -13.965 -11.144 860 HA HIS 107 HA HIS 107 2.543 -15.491 -12.442 861 1HB HIS 107 HB2 HIS 107 4.625 -16.245 -11.058 862 2HB HIS 107 HB1 HIS 107 3.528 -16.156 -9.683 863 HD1 HIS 107 HD1 HIS 107 2.509 -18.347 -9.164 864 HD2 HIS 107 HD2 HIS 107 3.341 -17.943 -13.214 865 HE1 HIS 107 HE1 HIS 107 1.783 -20.508 -10.224 866 HE2 HIS 107 HE2 HIS 107 2.509 -20.315 -12.632 867 H HIS 108 HN HIS 108 0.468 -15.056 -12.345 868 HA HIS 108 HA HIS 108 -0.595 -13.694 -9.981 869 1HB HIS 108 HB2 HIS 108 -2.583 -13.281 -11.589 870 2HB HIS 108 HB1 HIS 108 -1.091 -12.389 -11.842 871 HD1 HIS 108 HD1 HIS 108 -3.236 -15.048 -13.394 872 HD2 HIS 108 HD2 HIS 108 0.273 -12.975 -14.196 873 HE1 HIS 108 HE1 HIS 108 -2.672 -15.582 -15.780 874 HE2 HIS 108 HE2 HIS 108 -0.404 -14.537 -16.142 875 H HIS 109 HN HIS 109 -2.532 -14.287 -9.003 876 HA HIS 109 HA HIS 109 -3.259 -17.119 -9.414 877 1HB HIS 109 HB2 HIS 109 -3.106 -15.522 -6.845 878 2HB HIS 109 HB1 HIS 109 -3.870 -17.103 -6.959 879 HD1 HIS 109 HD1 HIS 109 -2.336 -18.618 -5.743 880 HD2 HIS 109 HD2 HIS 109 -0.288 -16.064 -8.306 881 HE1 HIS 109 HE1 HIS 109 0.074 -19.332 -5.634 882 HE2 HIS 109 HE2 HIS 109 1.315 -17.625 -7.013 883 H HIS 110 HN HIS 110 -4.953 -16.613 -10.813 884 HA HIS 110 HA HIS 110 -7.456 -16.025 -9.703 885 1HB HIS 110 HB2 HIS 110 -6.015 -13.693 -10.042 886 2HB HIS 110 HB1 HIS 110 -6.941 -13.788 -11.535 887 HD1 HIS 110 HD1 HIS 110 -7.173 -12.106 -8.566 888 HD2 HIS 110 HD2 HIS 110 -9.840 -14.622 -10.532 889 HE1 HIS 110 HE1 HIS 110 -9.445 -11.525 -7.660 890 HE2 HIS 110 HE2 HIS 110 -10.999 -13.230 -8.680 891 H HIS 111 HN HIS 111 -6.390 -14.653 -12.748 892 HA HIS 111 HA HIS 111 -6.807 -17.012 -14.299 893 1HB HIS 111 HB2 HIS 111 -9.173 -16.332 -13.868 894 2HB HIS 111 HB1 HIS 111 -8.832 -14.774 -14.611 895 HD1 HIS 111 HD1 HIS 111 -8.921 -14.636 -17.136 896 HD2 HIS 111 HD2 HIS 111 -9.151 -18.543 -15.718 897 HE1 HIS 111 HE1 HIS 111 -9.517 -16.052 -19.130 898 HE2 HIS 111 HE2 HIS 111 -9.775 -18.393 -18.230 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -5.874 -0.858 -0.878 2 2H MET 1 HT2 MET 1 -5.398 -1.875 0.387 3 3H MET 1 HT3 MET 1 -4.591 -0.403 0.136 4 HA MET 1 HA MET 1 -6.059 -0.211 2.003 5 1HB MET 1 HB2 MET 1 -7.348 1.727 1.296 6 2HB MET 1 HB1 MET 1 -5.766 1.758 0.535 7 1HG MET 1 HG2 MET 1 -6.728 0.945 -1.543 8 2HG MET 1 HG1 MET 1 -8.313 0.839 -0.780 9 1HE MET 1 HE1 MET 1 -8.786 3.838 -3.239 10 2HE MET 1 HE2 MET 1 -9.410 2.277 -2.702 11 3HE MET 1 HE3 MET 1 -7.846 2.372 -3.514 12 H PHE 2 HN PHE 2 -8.050 -0.549 2.965 13 HA PHE 2 HA PHE 2 -9.829 -2.346 1.465 14 1HB PHE 2 HB2 PHE 2 -9.557 -2.003 4.461 15 2HB PHE 2 HB1 PHE 2 -10.564 -3.190 3.639 16 HD1 PHE 2 HD2 PHE 2 -9.384 -4.905 2.153 17 HD2 PHE 2 HD1 PHE 2 -7.365 -2.504 5.028 18 HE1 PHE 2 HE2 PHE 2 -7.510 -6.500 2.165 19 HE2 PHE 2 HE1 PHE 2 -5.489 -4.093 5.042 20 HZ PHE 2 HZ PHE 2 -5.559 -6.094 3.610 21 H THR 3 HN THR 3 -11.544 -1.334 0.671 22 HA THR 3 HA THR 3 -12.719 0.872 2.222 23 HB THR 3 HB THR 3 -13.853 1.434 0.006 24 HG1 THR 3 HG1 THR 3 -12.922 -0.812 -0.770 25 1HG2 THR 3 HG21 THR 3 -11.978 2.732 0.894 26 2HG2 THR 3 HG22 THR 3 -11.882 2.601 -0.862 27 3HG2 THR 3 HG23 THR 3 -10.841 1.604 0.154 28 H ALA 4 HN ALA 4 -14.723 0.683 3.012 29 HA ALA 4 HA ALA 4 -16.306 -1.686 2.266 30 1HB ALA 4 HB1 ALA 4 -15.700 -1.532 4.639 31 2HB ALA 4 HB2 ALA 4 -17.447 -1.413 4.406 32 3HB ALA 4 HB3 ALA 4 -16.501 0.039 4.736 33 H LYS 5 HN LYS 5 -18.550 -1.440 1.859 34 HA LYS 5 HA LYS 5 -19.539 1.267 1.400 35 1HB LYS 5 HB2 LYS 5 -18.333 0.732 -0.631 36 2HB LYS 5 HB1 LYS 5 -19.158 -0.812 -0.757 37 1HG LYS 5 HG2 LYS 5 -21.248 0.290 -1.224 38 2HG LYS 5 HG1 LYS 5 -20.503 1.873 -0.976 39 1HD LYS 5 HD2 LYS 5 -20.752 1.172 -3.381 40 2HD LYS 5 HD1 LYS 5 -19.113 1.608 -2.892 41 1HE LYS 5 HE2 LYS 5 -18.623 -0.799 -2.561 42 2HE LYS 5 HE1 LYS 5 -20.228 -1.181 -3.177 43 1HZ LYS 5 HZ1 LYS 5 -18.430 -1.372 -4.837 44 2HZ LYS 5 HZ2 LYS 5 -18.165 0.298 -4.715 45 3HZ LYS 5 HZ3 LYS 5 -19.650 -0.284 -5.296 46 H LEU 6 HN LEU 6 -21.676 1.408 1.827 47 HA LEU 6 HA LEU 6 -23.220 -0.811 2.658 48 1HB LEU 6 HB2 LEU 6 -23.742 2.057 2.146 49 2HB LEU 6 HB1 LEU 6 -25.133 0.999 2.044 50 HG LEU 6 HG LEU 6 -25.075 1.906 4.236 51 1HD1 LEU 6 HD11 LEU 6 -24.893 -0.084 5.621 52 2HD1 LEU 6 HD12 LEU 6 -24.013 -0.910 4.335 53 3HD1 LEU 6 HD13 LEU 6 -25.698 -0.446 4.095 54 1HD2 LEU 6 HD21 LEU 6 -22.756 2.611 4.283 55 2HD2 LEU 6 HD22 LEU 6 -22.234 0.930 4.413 56 3HD2 LEU 6 HD23 LEU 6 -23.157 1.671 5.722 57 H ILE 7 HN ILE 7 -24.234 -2.302 1.492 58 HA ILE 7 HA ILE 7 -24.922 -1.627 -1.284 59 HB ILE 7 HB ILE 7 -25.008 -4.071 -1.701 60 1HG1 ILE 7 HG12 ILE 7 -23.520 -5.317 0.143 61 2HG1 ILE 7 HG11 ILE 7 -24.313 -4.150 1.194 62 1HG2 ILE 7 HG21 ILE 7 -22.594 -4.373 -1.751 63 2HG2 ILE 7 HG22 ILE 7 -22.398 -3.032 -0.626 64 3HG2 ILE 7 HG23 ILE 7 -23.044 -2.740 -2.242 65 1HD1 ILE 7 HD11 ILE 7 -25.692 -6.134 -0.597 66 2HD1 ILE 7 HD12 ILE 7 -26.488 -4.971 0.463 67 3HD1 ILE 7 HD13 ILE 7 -25.502 -6.263 1.151 68 H LYS 8 HN LYS 8 -26.196 -1.942 1.720 69 HA LYS 8 HA LYS 8 -28.901 -1.980 0.598 70 1HB LYS 8 HB2 LYS 8 -27.985 -3.509 3.040 71 2HB LYS 8 HB1 LYS 8 -29.669 -3.165 2.699 72 1HG LYS 8 HG2 LYS 8 -29.630 -4.517 0.743 73 2HG LYS 8 HG1 LYS 8 -27.876 -4.703 0.842 74 1HD LYS 8 HD2 LYS 8 -28.095 -5.940 2.915 75 2HD LYS 8 HD1 LYS 8 -29.841 -5.687 2.910 76 1HE LYS 8 HE2 LYS 8 -28.365 -7.132 0.717 77 2HE LYS 8 HE1 LYS 8 -29.064 -7.949 2.114 78 1HZ LYS 8 HZ1 LYS 8 -30.599 -6.287 0.179 79 2HZ LYS 8 HZ2 LYS 8 -31.238 -7.166 1.482 80 3HZ LYS 8 HZ3 LYS 8 -30.538 -7.983 0.177 81 H GLY 9 HN GLY 9 -29.991 -0.216 1.228 82 1HA GLY 9 HA2 GLY 9 -30.745 1.154 3.114 83 2HA GLY 9 HA1 GLY 9 -29.091 1.121 3.707 84 H LYS 10 HN LYS 10 -28.189 3.061 3.517 85 HA LYS 10 HA LYS 10 -27.965 4.479 1.110 86 1HB LYS 10 HB2 LYS 10 -29.373 6.467 1.733 87 2HB LYS 10 HB1 LYS 10 -30.284 5.029 1.298 88 1HG LYS 10 HG2 LYS 10 -30.540 4.556 3.744 89 2HG LYS 10 HG1 LYS 10 -29.817 6.137 4.057 90 1HD LYS 10 HD2 LYS 10 -31.605 7.202 2.772 91 2HD LYS 10 HD1 LYS 10 -32.323 5.622 2.456 92 1HE LYS 10 HE2 LYS 10 -32.560 5.316 4.917 93 2HE LYS 10 HE1 LYS 10 -31.997 6.972 5.134 94 1HZ LYS 10 HZ1 LYS 10 -34.373 6.942 5.182 95 2HZ LYS 10 HZ2 LYS 10 -34.453 6.099 3.712 96 3HZ LYS 10 HZ3 LYS 10 -33.888 7.696 3.741 97 H THR 11 HN THR 11 -28.267 4.935 4.619 98 HA THR 11 HA THR 11 -25.500 5.787 4.769 99 HB THR 11 HB THR 11 -27.729 7.559 5.816 100 HG1 THR 11 HG1 THR 11 -27.608 8.308 3.830 101 1HG2 THR 11 HG21 THR 11 -24.727 7.894 5.913 102 2HG2 THR 11 HG22 THR 11 -25.783 7.562 7.287 103 3HG2 THR 11 HG23 THR 11 -25.910 9.097 6.430 104 H TYR 12 HN TYR 12 -24.600 4.942 6.586 105 HA TYR 12 HA TYR 12 -26.276 4.319 8.885 106 1HB TYR 12 HB2 TYR 12 -26.449 2.364 7.323 107 2HB TYR 12 HB1 TYR 12 -24.711 2.143 7.482 108 HD1 TYR 12 HD2 TYR 12 -27.913 2.069 9.333 109 HD2 TYR 12 HD1 TYR 12 -23.795 0.999 9.354 110 HE1 TYR 12 HE2 TYR 12 -28.292 0.675 11.321 111 HE2 TYR 12 HE1 TYR 12 -24.164 -0.399 11.344 112 HH TYR 12 HH TYR 12 -27.229 -1.300 12.410 113 H ASN 13 HN ASN 13 -25.179 4.513 10.751 114 HA ASN 13 HA ASN 13 -22.299 5.032 10.574 115 1HB ASN 13 HB2 ASN 13 -23.611 6.733 11.719 116 2HB ASN 13 HB1 ASN 13 -24.277 5.526 12.813 117 1HD2 ASN 13 HD21 ASN 13 -21.515 7.463 12.009 118 2HD2 ASN 13 HD22 ASN 13 -20.623 7.146 13.458 119 H VAL 14 HN VAL 14 -20.884 3.528 11.119 120 HA VAL 14 HA VAL 14 -21.755 1.339 12.894 121 HB VAL 14 HB VAL 14 -19.458 1.324 10.924 122 1HG1 VAL 14 HG11 VAL 14 -19.063 -0.126 12.839 123 2HG1 VAL 14 HG12 VAL 14 -19.364 -1.082 11.387 124 3HG1 VAL 14 HG13 VAL 14 -20.632 -0.893 12.598 125 1HG2 VAL 14 HG21 VAL 14 -20.842 -0.232 9.623 126 2HG2 VAL 14 HG22 VAL 14 -21.581 1.364 9.759 127 3HG2 VAL 14 HG23 VAL 14 -22.174 0.031 10.749 128 H MET 15 HN MET 15 -21.191 1.835 14.893 129 HA MET 15 HA MET 15 -19.948 2.267 16.730 130 1HB MET 15 HB2 MET 15 -17.604 1.873 14.866 131 2HB MET 15 HB1 MET 15 -17.469 2.047 16.611 132 1HG MET 15 HG2 MET 15 -18.851 0.034 16.898 133 2HG MET 15 HG1 MET 15 -18.918 -0.150 15.146 134 1HE MET 15 HE1 MET 15 -16.586 -3.098 16.181 135 2HE MET 15 HE2 MET 15 -18.023 -2.621 15.280 136 3HE MET 15 HE3 MET 15 -18.006 -2.497 17.039 137 H GLY 16 HN GLY 16 -17.852 3.820 14.303 138 1HA GLY 16 HA2 GLY 16 -18.695 6.427 15.363 139 2HA GLY 16 HA1 GLY 16 -16.985 6.021 15.384 140 H ILE 17 HN ILE 17 -18.252 4.559 12.709 141 HA ILE 17 HA ILE 17 -17.432 6.841 11.030 142 HB ILE 17 HB ILE 17 -17.248 3.910 10.276 143 1HG1 ILE 17 HG12 ILE 17 -14.728 4.396 10.334 144 2HG1 ILE 17 HG11 ILE 17 -15.134 5.811 11.298 145 1HG2 ILE 17 HG21 ILE 17 -16.225 6.398 8.912 146 2HG2 ILE 17 HG22 ILE 17 -17.573 5.390 8.381 147 3HG2 ILE 17 HG23 ILE 17 -15.932 4.742 8.378 148 1HD1 ILE 17 HD11 ILE 17 -16.120 4.361 12.998 149 2HD1 ILE 17 HD12 ILE 17 -14.432 3.957 12.693 150 3HD1 ILE 17 HD13 ILE 17 -15.712 2.946 12.024 151 H THR 18 HN THR 18 -19.016 7.705 9.864 152 HA THR 18 HA THR 18 -21.487 6.199 9.473 153 HB THR 18 HB THR 18 -20.901 9.085 8.781 154 HG1 THR 18 HG1 THR 18 -22.094 9.464 10.781 155 1HG2 THR 18 HG21 THR 18 -22.820 8.153 7.588 156 2HG2 THR 18 HG22 THR 18 -23.344 9.319 8.803 157 3HG2 THR 18 HG23 THR 18 -23.505 7.590 9.113 158 H PHE 19 HN PHE 19 -21.420 4.871 7.767 159 HA PHE 19 HA PHE 19 -20.039 5.674 5.315 160 1HB PHE 19 HB2 PHE 19 -21.411 3.060 5.986 161 2HB PHE 19 HB1 PHE 19 -20.411 3.374 4.577 162 HD1 PHE 19 HD1 PHE 19 -17.996 3.569 4.790 163 HD2 PHE 19 HD2 PHE 19 -20.455 2.601 8.123 164 HE1 PHE 19 HE1 PHE 19 -16.019 2.759 6.011 165 HE2 PHE 19 HE2 PHE 19 -18.484 1.790 9.352 166 HZ PHE 19 HZ PHE 19 -16.262 1.867 8.295 167 H ARG 20 HN ARG 20 -21.150 5.340 3.234 168 HA ARG 20 HA ARG 20 -24.072 5.536 3.415 169 1HB ARG 20 HB2 ARG 20 -22.396 7.259 1.581 170 2HB ARG 20 HB1 ARG 20 -24.142 7.309 1.772 171 1HG ARG 20 HG2 ARG 20 -23.666 7.913 4.215 172 2HG ARG 20 HG1 ARG 20 -22.021 8.238 3.669 173 1HD ARG 20 HD2 ARG 20 -23.205 10.299 3.613 174 2HD ARG 20 HD1 ARG 20 -22.996 9.769 1.943 175 HE ARG 20 HE ARG 20 -25.493 8.956 3.154 176 1HH1 ARG 20 HH11 ARG 20 -23.845 11.451 1.331 177 2HH1 ARG 20 HH12 ARG 20 -25.301 12.106 0.663 178 1HH2 ARG 20 HH21 ARG 20 -27.419 9.825 2.302 179 2HH2 ARG 20 HH22 ARG 20 -27.346 11.194 1.228 180 H ALA 21 HN ALA 21 -25.201 4.848 1.522 181 HA ALA 21 HA ALA 21 -24.081 2.619 0.213 182 1HB ALA 21 HB1 ALA 21 -26.490 4.252 -0.587 183 2HB ALA 21 HB2 ALA 21 -26.490 2.901 0.545 184 3HB ALA 21 HB3 ALA 21 -26.102 2.626 -1.152 185 H GLY 22 HN GLY 22 -22.918 2.418 -1.591 186 1HA GLY 22 HA2 GLY 22 -22.141 2.930 -3.730 187 2HA GLY 22 HA1 GLY 22 -22.952 4.485 -3.629 188 H VAL 23 HN VAL 23 -21.367 4.329 -0.809 189 HA VAL 23 HA VAL 23 -19.002 5.673 -1.940 190 HB VAL 23 HB VAL 23 -20.226 6.085 0.795 191 1HG1 VAL 23 HG11 VAL 23 -18.047 7.606 -0.637 192 2HG1 VAL 23 HG12 VAL 23 -17.818 6.505 0.719 193 3HG1 VAL 23 HG13 VAL 23 -18.720 8.002 0.944 194 1HG2 VAL 23 HG21 VAL 23 -20.381 7.820 -1.669 195 2HG2 VAL 23 HG22 VAL 23 -20.969 8.262 -0.066 196 3HG2 VAL 23 HG23 VAL 23 -21.712 6.922 -0.942 197 H SER 24 HN SER 24 -17.369 4.269 -1.950 198 HA SER 24 HA SER 24 -17.034 2.308 0.156 199 1HB SER 24 HB2 SER 24 -15.175 2.927 -2.152 200 2HB SER 24 HB1 SER 24 -15.222 1.452 -1.184 201 HG SER 24 HG SER 24 -17.112 2.389 -3.072 202 H GLN 25 HN GLN 25 -16.156 2.914 2.031 203 HA GLN 25 HA GLN 25 -14.122 5.052 2.003 204 1HB GLN 25 HB2 GLN 25 -15.987 4.222 4.231 205 2HB GLN 25 HB1 GLN 25 -14.778 5.494 4.339 206 1HG GLN 25 HG2 GLN 25 -15.932 6.747 2.598 207 2HG GLN 25 HG1 GLN 25 -17.143 5.471 2.477 208 1HE2 GLN 25 HE21 GLN 25 -15.749 6.435 5.511 209 2HE2 GLN 25 HE22 GLN 25 -17.161 7.205 6.150 210 H THR 26 HN THR 26 -12.219 4.795 3.125 211 HA THR 26 HA THR 26 -11.249 2.157 3.459 212 HB THR 26 HB THR 26 -9.322 3.488 4.651 213 HG1 THR 26 HG1 THR 26 -9.621 5.583 4.733 214 1HG2 THR 26 HG21 THR 26 -8.406 4.102 2.455 215 2HG2 THR 26 HG22 THR 26 -10.002 3.892 1.735 216 3HG2 THR 26 HG23 THR 26 -9.153 2.506 2.419 217 H VAL 27 HN VAL 27 -11.250 0.849 5.186 218 HA VAL 27 HA VAL 27 -12.148 1.996 7.749 219 HB VAL 27 HB VAL 27 -13.290 -0.083 8.254 220 1HG1 VAL 27 HG11 VAL 27 -14.557 1.622 7.099 221 2HG1 VAL 27 HG12 VAL 27 -15.076 0.019 6.575 222 3HG1 VAL 27 HG13 VAL 27 -14.029 0.990 5.541 223 1HG2 VAL 27 HG21 VAL 27 -13.518 -1.868 6.582 224 2HG2 VAL 27 HG22 VAL 27 -11.836 -1.640 7.063 225 3HG2 VAL 27 HG23 VAL 27 -12.405 -1.008 5.518 226 HA PRO 28 HA PRO 28 -8.633 0.165 9.782 227 1HB PRO 28 HB2 PRO 28 -10.418 -0.603 11.998 228 2HB PRO 28 HB1 PRO 28 -9.053 0.517 11.994 229 1HG PRO 28 HG2 PRO 28 -11.580 1.391 12.193 230 2HG PRO 28 HG1 PRO 28 -10.343 2.301 11.305 231 1HD PRO 28 HD2 PRO 28 -12.506 0.518 10.248 232 2HD PRO 28 HD1 PRO 28 -11.949 2.093 9.643 233 H LYS 29 HN LYS 29 -7.932 -1.861 10.874 234 HA LYS 29 HA LYS 29 -8.439 -4.080 9.275 235 1HB LYS 29 HB2 LYS 29 -7.271 -3.970 12.058 236 2HB LYS 29 HB1 LYS 29 -7.192 -5.370 10.997 237 1HG LYS 29 HG2 LYS 29 -5.860 -4.137 9.405 238 2HG LYS 29 HG1 LYS 29 -6.014 -2.669 10.373 239 1HD LYS 29 HD2 LYS 29 -4.801 -3.725 12.200 240 2HD LYS 29 HD1 LYS 29 -4.695 -5.229 11.282 241 1HE LYS 29 HE2 LYS 29 -3.518 -2.591 10.411 242 2HE LYS 29 HE1 LYS 29 -2.616 -3.876 11.212 243 1HZ LYS 29 HZ1 LYS 29 -3.071 -5.339 9.370 244 2HZ LYS 29 HZ2 LYS 29 -2.354 -3.916 8.788 245 3HZ LYS 29 HZ3 LYS 29 -4.022 -4.161 8.607 246 H LYS 30 HN LYS 30 -9.609 -3.412 12.570 247 HA LYS 30 HA LYS 30 -10.984 -5.815 12.962 248 1HB LYS 30 HB2 LYS 30 -11.670 -3.079 14.053 249 2HB LYS 30 HB1 LYS 30 -12.283 -4.605 14.673 250 1HG LYS 30 HG2 LYS 30 -10.011 -5.269 15.285 251 2HG LYS 30 HG1 LYS 30 -9.400 -3.735 14.664 252 1HD LYS 30 HD2 LYS 30 -11.316 -4.113 16.964 253 2HD LYS 30 HD1 LYS 30 -9.628 -3.618 17.074 254 1HE LYS 30 HE2 LYS 30 -10.162 -1.591 15.781 255 2HE LYS 30 HE1 LYS 30 -11.855 -2.080 15.742 256 1HZ LYS 30 HZ1 LYS 30 -11.807 -2.024 18.215 257 2HZ LYS 30 HZ2 LYS 30 -11.583 -0.510 17.484 258 3HZ LYS 30 HZ3 LYS 30 -10.258 -1.346 18.127 259 H LEU 31 HN LEU 31 -12.146 -2.739 11.631 260 HA LEU 31 HA LEU 31 -14.835 -3.604 11.401 261 1HB LEU 31 HB2 LEU 31 -13.350 -1.273 10.223 262 2HB LEU 31 HB1 LEU 31 -15.044 -1.569 9.884 263 HG LEU 31 HG LEU 31 -13.838 -1.013 12.596 264 1HD1 LEU 31 HD11 LEU 31 -15.179 1.028 12.486 265 2HD1 LEU 31 HD12 LEU 31 -15.693 0.600 10.854 266 3HD1 LEU 31 HD13 LEU 31 -13.999 0.955 11.179 267 1HD2 LEU 31 HD21 LEU 31 -16.143 -1.036 13.417 268 2HD2 LEU 31 HD22 LEU 31 -15.671 -2.610 12.774 269 3HD2 LEU 31 HD23 LEU 31 -16.707 -1.543 11.824 270 H TYR 32 HN TYR 32 -12.068 -3.840 9.291 271 HA TYR 32 HA TYR 32 -13.371 -4.281 6.863 272 1HB TYR 32 HB2 TYR 32 -10.974 -4.010 6.913 273 2HB TYR 32 HB1 TYR 32 -10.783 -5.450 7.908 274 HD1 TYR 32 HD2 TYR 32 -12.175 -4.425 4.588 275 HD2 TYR 32 HD1 TYR 32 -10.214 -7.436 6.867 276 HE1 TYR 32 HE2 TYR 32 -11.949 -5.800 2.565 277 HE2 TYR 32 HE1 TYR 32 -9.983 -8.819 4.850 278 HH TYR 32 HH TYR 32 -10.680 -7.606 1.683 279 H GLU 33 HN GLU 33 -12.409 -6.643 9.353 280 HA GLU 33 HA GLU 33 -13.732 -8.772 7.932 281 1HB GLU 33 HB2 GLU 33 -11.667 -9.081 9.343 282 2HB GLU 33 HB1 GLU 33 -12.681 -8.836 10.761 283 1HG GLU 33 HG2 GLU 33 -14.040 -10.765 10.113 284 2HG GLU 33 HG1 GLU 33 -12.999 -11.019 8.713 285 H TYR 34 HN TYR 34 -14.465 -6.586 10.545 286 HA TYR 34 HA TYR 34 -16.695 -7.928 11.618 287 1HB TYR 34 HB2 TYR 34 -15.526 -5.997 12.686 288 2HB TYR 34 HB1 TYR 34 -16.237 -4.940 11.473 289 HD1 TYR 34 HD1 TYR 34 -17.008 -7.150 14.332 290 HD2 TYR 34 HD2 TYR 34 -18.471 -4.151 11.695 291 HE1 TYR 34 HE1 TYR 34 -18.980 -6.859 15.772 292 HE2 TYR 34 HE2 TYR 34 -20.450 -3.851 13.125 293 HH TYR 34 HH TYR 34 -21.735 -5.190 14.793 294 H LEU 35 HN LEU 35 -16.386 -5.576 8.989 295 HA LEU 35 HA LEU 35 -19.223 -5.613 8.461 296 1HB LEU 35 HB2 LEU 35 -16.946 -4.365 6.926 297 2HB LEU 35 HB1 LEU 35 -18.648 -4.129 6.572 298 HG LEU 35 HG LEU 35 -17.262 -3.299 9.125 299 1HD1 LEU 35 HD11 LEU 35 -17.644 -1.016 8.323 300 2HD1 LEU 35 HD12 LEU 35 -18.261 -1.660 6.803 301 3HD1 LEU 35 HD13 LEU 35 -16.575 -1.923 7.252 302 1HD2 LEU 35 HD21 LEU 35 -19.369 -2.150 9.629 303 2HD2 LEU 35 HD22 LEU 35 -19.588 -3.896 9.511 304 3HD2 LEU 35 HD23 LEU 35 -20.094 -2.852 8.181 305 H ASN 36 HN ASN 36 -16.437 -7.353 7.415 306 HA ASN 36 HA ASN 36 -17.546 -8.448 5.025 307 1HB ASN 36 HB2 ASN 36 -15.118 -8.516 5.561 308 2HB ASN 36 HB1 ASN 36 -15.455 -9.634 6.876 309 1HD2 ASN 36 HD21 ASN 36 -14.154 -11.220 5.984 310 2HD2 ASN 36 HD22 ASN 36 -14.614 -12.117 4.584 311 H GLU 37 HN GLU 37 -17.925 -9.024 8.388 312 HA GLU 37 HA GLU 37 -19.403 -11.509 8.008 313 1HB GLU 37 HB2 GLU 37 -17.828 -11.252 9.911 314 2HB GLU 37 HB1 GLU 37 -18.795 -9.918 10.516 315 1HG GLU 37 HG2 GLU 37 -19.183 -12.014 11.728 316 2HG GLU 37 HG1 GLU 37 -20.641 -11.392 10.957 317 H ASN 38 HN ASN 38 -20.082 -8.499 7.329 318 HA ASN 38 HA ASN 38 -22.725 -8.445 8.612 319 1HB ASN 38 HB2 ASN 38 -21.145 -6.508 8.996 320 2HB ASN 38 HB1 ASN 38 -21.309 -6.133 7.282 321 1HD2 ASN 38 HD21 ASN 38 -22.855 -6.173 10.369 322 2HD2 ASN 38 HD22 ASN 38 -24.239 -5.239 9.919 323 HA PRO 39 HA PRO 39 -24.341 -9.553 4.695 324 1HB PRO 39 HB2 PRO 39 -26.960 -9.144 5.156 325 2HB PRO 39 HB1 PRO 39 -26.052 -10.450 5.928 326 1HG PRO 39 HG2 PRO 39 -26.814 -7.769 7.024 327 2HG PRO 39 HG1 PRO 39 -26.899 -9.359 7.803 328 1HD PRO 39 HD2 PRO 39 -24.882 -7.595 8.250 329 2HD PRO 39 HD1 PRO 39 -24.663 -9.355 8.335 330 H TYR 40 HN TYR 40 -24.552 -6.260 5.753 331 HA TYR 40 HA TYR 40 -25.593 -5.580 3.086 332 1HB TYR 40 HB2 TYR 40 -26.330 -3.367 4.211 333 2HB TYR 40 HB1 TYR 40 -27.311 -4.809 4.407 334 HD1 TYR 40 HD2 TYR 40 -27.439 -5.939 6.560 335 HD2 TYR 40 HD1 TYR 40 -25.180 -2.363 6.098 336 HE1 TYR 40 HE2 TYR 40 -27.413 -5.649 8.999 337 HE2 TYR 40 HE1 TYR 40 -25.158 -2.059 8.539 338 HH TYR 40 HH TYR 40 -26.134 -4.531 10.714 339 H PHE 41 HN PHE 41 -22.826 -5.938 4.067 340 HA PHE 41 HA PHE 41 -21.811 -3.365 3.081 341 1HB PHE 41 HB2 PHE 41 -20.912 -4.950 5.449 342 2HB PHE 41 HB1 PHE 41 -19.709 -4.067 4.516 343 HD1 PHE 41 HD2 PHE 41 -22.629 -3.769 6.710 344 HD2 PHE 41 HD1 PHE 41 -19.630 -1.678 4.536 345 HE1 PHE 41 HE2 PHE 41 -23.160 -1.718 7.958 346 HE2 PHE 41 HE1 PHE 41 -20.155 0.377 5.782 347 HZ PHE 41 HZ PHE 41 -21.924 0.358 7.495 348 H ILE 42 HN ILE 42 -20.913 -3.683 1.154 349 HA ILE 42 HA ILE 42 -19.340 -6.137 0.758 350 HB ILE 42 HB ILE 42 -20.649 -4.266 -1.195 351 1HG1 ILE 42 HG12 ILE 42 -20.579 -7.276 -0.872 352 2HG1 ILE 42 HG11 ILE 42 -21.915 -6.211 -0.456 353 1HG2 ILE 42 HG21 ILE 42 -18.418 -6.185 -1.860 354 2HG2 ILE 42 HG22 ILE 42 -18.352 -4.427 -1.966 355 3HG2 ILE 42 HG23 ILE 42 -19.423 -5.334 -3.033 356 1HD1 ILE 42 HD11 ILE 42 -22.329 -7.394 -2.537 357 2HD1 ILE 42 HD12 ILE 42 -20.860 -6.707 -3.231 358 3HD1 ILE 42 HD13 ILE 42 -22.212 -5.656 -2.810 359 H LEU 43 HN LEU 43 -17.195 -5.993 0.786 360 HA LEU 43 HA LEU 43 -16.028 -3.300 0.838 361 1HB LEU 43 HB2 LEU 43 -15.019 -5.854 2.096 362 2HB LEU 43 HB1 LEU 43 -14.170 -4.320 2.128 363 HG LEU 43 HG LEU 43 -16.337 -3.433 3.281 364 1HD1 LEU 43 HD11 LEU 43 -17.701 -5.409 2.936 365 2HD1 LEU 43 HD12 LEU 43 -17.459 -5.117 4.658 366 3HD1 LEU 43 HD13 LEU 43 -16.547 -6.388 3.842 367 1HD2 LEU 43 HD21 LEU 43 -15.417 -4.020 5.459 368 2HD2 LEU 43 HD22 LEU 43 -14.144 -3.556 4.330 369 3HD2 LEU 43 HD23 LEU 43 -14.412 -5.259 4.709 370 H THR 44 HN THR 44 -13.917 -3.040 -0.072 371 HA THR 44 HA THR 44 -13.109 -5.038 -2.044 372 HB THR 44 HB THR 44 -13.572 -2.137 -2.783 373 HG1 THR 44 HG1 THR 44 -15.264 -4.295 -2.712 374 1HG2 THR 44 HG21 THR 44 -13.206 -2.923 -5.079 375 2HG2 THR 44 HG22 THR 44 -12.895 -4.550 -4.474 376 3HG2 THR 44 HG23 THR 44 -11.794 -3.234 -4.068 377 H GLN 45 HN GLN 45 -10.928 -5.095 -2.361 378 HA GLN 45 HA GLN 45 -9.336 -3.086 -0.924 379 1HB GLN 45 HB2 GLN 45 -7.533 -4.834 -0.864 380 2HB GLN 45 HB1 GLN 45 -8.964 -5.228 0.071 381 1HG GLN 45 HG2 GLN 45 -8.578 -6.250 -2.720 382 2HG GLN 45 HG1 GLN 45 -7.887 -7.074 -1.324 383 1HE2 GLN 45 HE21 GLN 45 -9.966 -7.867 -3.274 384 2HE2 GLN 45 HE22 GLN 45 -11.342 -8.309 -2.313 385 H GLU 46 HN GLU 46 -8.324 -1.691 -2.148 386 HA GLU 46 HA GLU 46 -7.402 -2.540 -4.813 387 1HB GLU 46 HB2 GLU 46 -8.485 0.179 -4.040 388 2HB GLU 46 HB1 GLU 46 -7.840 -0.250 -5.618 389 1HG GLU 46 HG2 GLU 46 -9.638 -1.953 -5.823 390 2HG GLU 46 HG1 GLU 46 -10.318 -1.350 -4.313 391 H LEU 47 HN LEU 47 -5.577 -1.211 -5.641 392 HA LEU 47 HA LEU 47 -3.587 -1.014 -3.561 393 1HB LEU 47 HB2 LEU 47 -3.474 -0.766 -6.557 394 2HB LEU 47 HB1 LEU 47 -2.088 -0.402 -5.551 395 HG LEU 47 HG LEU 47 -2.238 -2.756 -4.653 396 1HD1 LEU 47 HD11 LEU 47 -4.127 -3.120 -6.974 397 2HD1 LEU 47 HD12 LEU 47 -4.561 -3.214 -5.268 398 3HD1 LEU 47 HD13 LEU 47 -3.460 -4.403 -5.964 399 1HD2 LEU 47 HD21 LEU 47 -1.769 -2.421 -7.611 400 2HD2 LEU 47 HD22 LEU 47 -1.170 -3.746 -6.613 401 3HD2 LEU 47 HD23 LEU 47 -0.598 -2.101 -6.330 402 H ASN 48 HN ASN 48 -2.136 0.832 -3.371 403 HA ASN 48 HA ASN 48 -3.384 3.394 -4.100 404 1HB ASN 48 HB2 ASN 48 -4.017 2.953 -1.794 405 2HB ASN 48 HB1 ASN 48 -2.344 2.626 -1.362 406 1HD2 ASN 48 HD21 ASN 48 -3.374 5.242 -3.472 407 2HD2 ASN 48 HD22 ASN 48 -2.937 6.526 -2.396 408 H ASN 49 HN ASN 49 -0.479 1.637 -3.138 409 HA ASN 49 HA ASN 49 1.194 3.945 -3.758 410 1HB ASN 49 HB2 ASN 49 1.687 2.501 -1.772 411 2HB ASN 49 HB1 ASN 49 2.044 1.176 -2.875 412 1HD2 ASN 49 HD21 ASN 49 4.178 0.998 -2.268 413 2HD2 ASN 49 HD22 ASN 49 5.366 2.196 -2.664 414 H GLN 50 HN GLN 50 2.284 4.208 -5.605 415 HA GLN 50 HA GLN 50 2.042 2.142 -7.656 416 1HB GLN 50 HB2 GLN 50 2.775 3.871 -9.226 417 2HB GLN 50 HB1 GLN 50 1.411 4.438 -8.273 418 1HG GLN 50 HG2 GLN 50 2.850 5.777 -6.899 419 2HG GLN 50 HG1 GLN 50 4.282 5.106 -7.675 420 1HE2 GLN 50 HE21 GLN 50 1.597 7.285 -8.008 421 2HE2 GLN 50 HE22 GLN 50 2.178 8.104 -9.419 422 H LYS 51 HN LYS 51 3.870 1.390 -8.826 423 HA LYS 51 HA LYS 51 6.343 1.474 -7.265 424 1HB LYS 51 HB2 LYS 51 7.014 -0.508 -8.541 425 2HB LYS 51 HB1 LYS 51 5.466 -0.748 -7.748 426 1HG LYS 51 HG2 LYS 51 4.387 -0.171 -9.953 427 2HG LYS 51 HG1 LYS 51 6.001 -0.279 -10.666 428 1HD LYS 51 HD2 LYS 51 6.183 -2.584 -9.746 429 2HD LYS 51 HD1 LYS 51 4.507 -2.462 -9.211 430 1HE LYS 51 HE2 LYS 51 4.416 -3.600 -11.261 431 2HE LYS 51 HE1 LYS 51 3.937 -1.946 -11.631 432 1HZ LYS 51 HZ1 LYS 51 6.209 -1.520 -12.399 433 2HZ LYS 51 HZ2 LYS 51 5.479 -2.777 -13.268 434 3HZ LYS 51 HZ3 LYS 51 6.624 -3.135 -12.079 435 H ASP 52 HN ASP 52 5.365 3.598 -9.036 436 HA ASP 52 HA ASP 52 6.319 5.232 -10.253 437 1HB ASP 52 HB2 ASP 52 8.390 4.872 -9.067 438 2HB ASP 52 HB1 ASP 52 8.801 3.533 -10.134 439 H ASP 53 HN ASP 53 7.812 2.354 -11.637 440 HA ASP 53 HA ASP 53 6.580 3.094 -14.214 441 1HB ASP 53 HB2 ASP 53 9.091 3.468 -14.039 442 2HB ASP 53 HB1 ASP 53 9.253 1.718 -13.937 443 HA PRO 54 HA PRO 54 5.216 -1.123 -13.871 444 1HB PRO 54 HB2 PRO 54 2.988 -0.852 -15.321 445 2HB PRO 54 HB1 PRO 54 3.149 -0.062 -13.747 446 1HG PRO 54 HG2 PRO 54 3.227 1.116 -16.459 447 2HG PRO 54 HG1 PRO 54 2.800 1.872 -14.915 448 1HD PRO 54 HD2 PRO 54 5.328 1.953 -16.309 449 2HD PRO 54 HD1 PRO 54 4.881 2.755 -14.789 450 H ILE 55 HN ILE 55 7.204 -0.406 -15.906 451 HA ILE 55 HA ILE 55 7.131 -2.752 -17.422 452 HB ILE 55 HB ILE 55 5.280 -1.778 -18.603 453 1HG1 ILE 55 HG12 ILE 55 6.276 -1.713 -20.952 454 2HG1 ILE 55 HG11 ILE 55 7.841 -1.930 -20.173 455 1HG2 ILE 55 HG21 ILE 55 7.082 0.537 -19.259 456 2HG2 ILE 55 HG22 ILE 55 5.656 0.567 -18.222 457 3HG2 ILE 55 HG23 ILE 55 5.484 0.259 -19.950 458 1HD1 ILE 55 HD11 ILE 55 6.930 -4.038 -20.964 459 2HD1 ILE 55 HD12 ILE 55 5.499 -3.803 -19.960 460 3HD1 ILE 55 HD13 ILE 55 7.078 -4.024 -19.207 461 H ASN 56 HN ASN 56 9.226 -2.598 -16.484 462 HA ASN 56 HA ASN 56 11.264 -1.588 -18.184 463 1HB ASN 56 HB2 ASN 56 10.560 0.547 -17.073 464 2HB ASN 56 HB1 ASN 56 10.979 -0.164 -15.519 465 1HD2 ASN 56 HD21 ASN 56 13.174 -0.571 -15.055 466 2HD2 ASN 56 HD22 ASN 56 14.446 0.239 -15.908 467 H TYR 57 HN TYR 57 11.940 -3.761 -17.972 468 HA TYR 57 HA TYR 57 13.248 -4.388 -15.438 469 1HB TYR 57 HB2 TYR 57 11.244 -6.195 -16.803 470 2HB TYR 57 HB1 TYR 57 12.310 -6.705 -15.499 471 HD1 TYR 57 HD1 TYR 57 9.404 -4.625 -16.372 472 HD2 TYR 57 HD2 TYR 57 11.861 -6.080 -13.218 473 HE1 TYR 57 HE1 TYR 57 7.737 -3.858 -14.737 474 HE2 TYR 57 HE2 TYR 57 10.205 -5.320 -11.569 475 HH TYR 57 HH TYR 57 8.397 -3.863 -11.303 476 H THR 58 HN THR 58 14.876 -5.985 -15.589 477 HA THR 58 HA THR 58 16.344 -5.893 -18.052 478 HB THR 58 HB THR 58 16.982 -7.646 -15.695 479 HG1 THR 58 HG1 THR 58 16.587 -5.040 -15.582 480 1HG2 THR 58 HG21 THR 58 19.297 -7.182 -16.340 481 2HG2 THR 58 HG22 THR 58 18.731 -6.150 -17.654 482 3HG2 THR 58 HG23 THR 58 18.397 -7.881 -17.688 483 H GLU 59 HN GLU 59 16.738 -7.578 -19.551 484 HA GLU 59 HA GLU 59 14.727 -9.583 -19.678 485 1HB GLU 59 HB2 GLU 59 15.829 -10.454 -21.612 486 2HB GLU 59 HB1 GLU 59 15.924 -8.703 -21.691 487 1HG GLU 59 HG2 GLU 59 18.207 -8.693 -21.180 488 2HG GLU 59 HG1 GLU 59 18.172 -10.364 -20.613 489 H SER 60 HN SER 60 18.097 -9.578 -18.628 490 HA SER 60 HA SER 60 18.285 -12.293 -17.932 491 1HB SER 60 HB2 SER 60 19.608 -9.953 -16.535 492 2HB SER 60 HB1 SER 60 20.166 -11.627 -16.555 493 HG SER 60 HG SER 60 20.953 -11.367 -18.501 494 H GLU 61 HN GLU 61 16.733 -9.572 -16.461 495 HA GLU 61 HA GLU 61 16.408 -10.791 -13.867 496 1HB GLU 61 HB2 GLU 61 16.582 -8.355 -14.237 497 2HB GLU 61 HB1 GLU 61 15.082 -8.393 -15.142 498 1HG GLU 61 HG2 GLU 61 13.837 -8.937 -13.174 499 2HG GLU 61 HG1 GLU 61 15.324 -9.126 -12.237 500 H LEU 62 HN LEU 62 14.398 -10.227 -16.722 501 HA LEU 62 HA LEU 62 12.072 -11.440 -15.556 502 1HB LEU 62 HB2 LEU 62 12.683 -10.584 -18.380 503 2HB LEU 62 HB1 LEU 62 11.118 -11.162 -17.837 504 HG LEU 62 HG LEU 62 12.513 -8.688 -16.826 505 1HD1 LEU 62 HD11 LEU 62 11.734 -8.406 -19.100 506 2HD1 LEU 62 HD12 LEU 62 10.715 -7.490 -17.985 507 3HD1 LEU 62 HD13 LEU 62 10.144 -9.022 -18.652 508 1HD2 LEU 62 HD21 LEU 62 9.764 -9.779 -16.239 509 2HD2 LEU 62 HD22 LEU 62 10.418 -8.246 -15.661 510 3HD2 LEU 62 HD23 LEU 62 11.128 -9.768 -15.122 511 H LYS 63 HN LYS 63 14.797 -12.594 -17.283 512 HA LYS 63 HA LYS 63 13.730 -14.913 -18.458 513 1HB LYS 63 HB2 LYS 63 16.339 -13.807 -17.936 514 2HB LYS 63 HB1 LYS 63 16.336 -15.523 -17.562 515 1HG LYS 63 HG2 LYS 63 17.054 -15.110 -19.848 516 2HG LYS 63 HG1 LYS 63 15.551 -16.030 -19.808 517 1HD LYS 63 HD2 LYS 63 14.273 -14.167 -20.483 518 2HD LYS 63 HD1 LYS 63 15.586 -13.038 -20.130 519 1HE LYS 63 HE2 LYS 63 15.705 -15.162 -22.270 520 2HE LYS 63 HE1 LYS 63 15.224 -13.492 -22.567 521 1HZ LYS 63 HZ1 LYS 63 17.775 -13.936 -21.200 522 2HZ LYS 63 HZ2 LYS 63 17.348 -12.740 -22.330 523 3HZ LYS 63 HZ3 LYS 63 17.707 -14.313 -22.851 524 H GLY 64 HN GLY 64 14.687 -14.159 -15.181 525 1HA GLY 64 HA2 GLY 64 14.156 -16.932 -14.367 526 2HA GLY 64 HA1 GLY 64 14.980 -15.719 -13.396 527 H MET 65 HN MET 65 12.132 -14.797 -15.103 528 HA MET 65 HA MET 65 10.690 -14.673 -12.540 529 1HB MET 65 HB2 MET 65 10.431 -12.986 -15.031 530 2HB MET 65 HB1 MET 65 9.278 -12.932 -13.704 531 1HG MET 65 HG2 MET 65 12.212 -12.320 -13.466 532 2HG MET 65 HG1 MET 65 10.936 -11.117 -13.636 533 1HE MET 65 HE1 MET 65 12.037 -10.644 -9.932 534 2HE MET 65 HE2 MET 65 11.795 -9.876 -11.502 535 3HE MET 65 HE3 MET 65 13.079 -11.066 -11.291 536 H ASN 66 HN ASN 66 8.577 -15.325 -12.403 537 HA ASN 66 HA ASN 66 7.805 -17.494 -14.071 538 1HB ASN 66 HB2 ASN 66 6.198 -16.001 -11.983 539 2HB ASN 66 HB1 ASN 66 5.783 -17.565 -12.676 540 1HD2 ASN 66 HD21 ASN 66 6.859 -19.381 -12.013 541 2HD2 ASN 66 HD22 ASN 66 7.914 -19.396 -10.638 542 H LYS 67 HN LYS 67 5.534 -17.610 -14.973 543 HA LYS 67 HA LYS 67 5.147 -15.678 -16.976 544 1HB LYS 67 HB2 LYS 67 3.149 -17.622 -15.812 545 2HB LYS 67 HB1 LYS 67 2.929 -16.724 -17.303 546 1HG LYS 67 HG2 LYS 67 4.887 -17.875 -18.255 547 2HG LYS 67 HG1 LYS 67 5.020 -18.822 -16.768 548 1HD LYS 67 HD2 LYS 67 2.646 -18.765 -18.633 549 2HD LYS 67 HD1 LYS 67 3.830 -20.069 -18.502 550 1HE LYS 67 HE2 LYS 67 3.128 -20.616 -16.313 551 2HE LYS 67 HE1 LYS 67 2.200 -19.126 -16.158 552 1HZ LYS 67 HZ1 LYS 67 0.794 -21.061 -16.554 553 2HZ LYS 67 HZ2 LYS 67 1.566 -21.343 -18.031 554 3HZ LYS 67 HZ3 LYS 67 0.657 -19.927 -17.803 555 H ALA 68 HN ALA 68 3.426 -16.217 -13.918 556 HA ALA 68 HA ALA 68 1.543 -14.173 -14.186 557 1HB ALA 68 HB1 ALA 68 1.205 -14.401 -11.778 558 2HB ALA 68 HB2 ALA 68 2.704 -15.325 -11.653 559 3HB ALA 68 HB3 ALA 68 1.339 -15.976 -12.561 560 H GLU 69 HN GLU 69 4.865 -14.060 -13.113 561 HA GLU 69 HA GLU 69 4.816 -11.485 -11.938 562 1HB GLU 69 HB2 GLU 69 7.174 -12.686 -13.390 563 2HB GLU 69 HB1 GLU 69 7.197 -11.554 -12.046 564 1HG GLU 69 HG2 GLU 69 6.291 -14.421 -11.911 565 2HG GLU 69 HG1 GLU 69 7.850 -13.805 -11.372 566 H HIS 70 HN HIS 70 5.605 -12.640 -15.189 567 HA HIS 70 HA HIS 70 6.012 -10.122 -16.390 568 1HB HIS 70 HB2 HIS 70 5.141 -12.785 -17.517 569 2HB HIS 70 HB1 HIS 70 5.385 -11.367 -18.528 570 HD1 HIS 70 HD1 HIS 70 7.637 -11.148 -19.477 571 HD2 HIS 70 HD2 HIS 70 7.648 -13.460 -16.026 572 HE1 HIS 70 HE1 HIS 70 9.964 -12.043 -19.276 573 HE2 HIS 70 HE2 HIS 70 9.943 -13.507 -17.227 574 H GLU 71 HN GLU 71 3.175 -12.084 -15.806 575 HA GLU 71 HA GLU 71 1.422 -10.624 -17.475 576 1HB GLU 71 HB2 GLU 71 0.869 -12.514 -15.184 577 2HB GLU 71 HB1 GLU 71 -0.365 -11.882 -16.271 578 1HG GLU 71 HG2 GLU 71 0.842 -12.896 -18.171 579 2HG GLU 71 HG1 GLU 71 1.989 -13.595 -17.034 580 H SER 72 HN SER 72 2.284 -10.325 -14.057 581 HA SER 72 HA SER 72 0.265 -8.399 -13.495 582 1HB SER 72 HB2 SER 72 1.668 -7.885 -11.471 583 2HB SER 72 HB1 SER 72 1.236 -9.585 -11.642 584 HG SER 72 HG SER 72 3.322 -9.813 -11.360 585 H ILE 73 HN ILE 73 3.583 -8.226 -14.666 586 HA ILE 73 HA ILE 73 3.967 -5.466 -14.548 587 HB ILE 73 HB ILE 73 4.950 -7.385 -16.669 588 1HG1 ILE 73 HG12 ILE 73 6.334 -6.354 -14.183 589 2HG1 ILE 73 HG11 ILE 73 5.574 -7.937 -14.314 590 1HG2 ILE 73 HG21 ILE 73 6.707 -5.728 -17.090 591 2HG2 ILE 73 HG22 ILE 73 5.944 -4.629 -15.941 592 3HG2 ILE 73 HG23 ILE 73 5.105 -5.073 -17.428 593 1HD1 ILE 73 HD11 ILE 73 7.971 -8.102 -14.602 594 2HD1 ILE 73 HD12 ILE 73 7.910 -6.948 -15.934 595 3HD1 ILE 73 HD13 ILE 73 7.143 -8.526 -16.099 596 H ILE 74 HN ILE 74 2.833 -7.311 -17.410 597 HA ILE 74 HA ILE 74 2.266 -4.894 -18.821 598 HB ILE 74 HB ILE 74 0.970 -6.719 -20.317 599 1HG1 ILE 74 HG12 ILE 74 3.104 -8.201 -18.773 600 2HG1 ILE 74 HG11 ILE 74 1.395 -8.607 -18.892 601 1HG2 ILE 74 HG21 ILE 74 3.901 -6.052 -20.231 602 2HG2 ILE 74 HG22 ILE 74 2.627 -5.228 -21.137 603 3HG2 ILE 74 HG23 ILE 74 3.106 -6.866 -21.582 604 1HD1 ILE 74 HD11 ILE 74 2.730 -10.091 -20.253 605 2HD1 ILE 74 HD12 ILE 74 3.408 -8.717 -21.125 606 3HD1 ILE 74 HD13 ILE 74 1.691 -9.093 -21.273 607 H SER 75 HN SER 75 0.392 -6.702 -16.582 608 HA SER 75 HA SER 75 -2.126 -5.748 -17.615 609 1HB SER 75 HB2 SER 75 -3.049 -6.536 -15.415 610 2HB SER 75 HB1 SER 75 -2.209 -7.782 -16.336 611 HG SER 75 HG SER 75 -0.646 -7.832 -14.894 612 H ASN 76 HN ASN 76 0.246 -4.724 -15.233 613 HA ASN 76 HA ASN 76 -1.234 -2.472 -14.301 614 1HB ASN 76 HB2 ASN 76 1.742 -3.028 -14.305 615 2HB ASN 76 HB1 ASN 76 1.011 -1.624 -13.541 616 1HD2 ASN 76 HD21 ASN 76 -1.341 -3.209 -12.683 617 2HD2 ASN 76 HD22 ASN 76 -0.789 -4.139 -11.339 618 H LEU 77 HN LEU 77 0.845 -3.124 -17.004 619 HA LEU 77 HA LEU 77 1.130 -0.427 -17.887 620 1HB LEU 77 HB2 LEU 77 2.710 -2.146 -18.557 621 2HB LEU 77 HB1 LEU 77 1.435 -3.057 -19.340 622 HG LEU 77 HG LEU 77 1.161 -1.215 -20.977 623 1HD1 LEU 77 HD11 LEU 77 3.602 -0.066 -19.633 624 2HD1 LEU 77 HD12 LEU 77 1.978 0.619 -19.591 625 3HD1 LEU 77 HD13 LEU 77 2.857 0.528 -21.118 626 1HD2 LEU 77 HD21 LEU 77 3.236 -1.658 -22.206 627 2HD2 LEU 77 HD22 LEU 77 2.564 -3.130 -21.509 628 3HD2 LEU 77 HD23 LEU 77 3.949 -2.346 -20.748 629 H GLY 78 HN GLY 78 -1.307 -2.871 -18.234 630 1HA GLY 78 HA2 GLY 78 -3.539 -2.377 -18.832 631 2HA GLY 78 HA1 GLY 78 -2.969 -0.950 -19.685 632 H ARG 79 HN ARG 79 -0.861 -3.177 -20.622 633 HA ARG 79 HA ARG 79 -2.046 -3.498 -23.201 634 1HB ARG 79 HB2 ARG 79 0.535 -3.679 -22.112 635 2HB ARG 79 HB1 ARG 79 0.172 -5.286 -22.719 636 1HG ARG 79 HG2 ARG 79 -0.063 -2.764 -24.345 637 2HG ARG 79 HG1 ARG 79 1.347 -3.817 -24.336 638 1HD ARG 79 HD2 ARG 79 0.124 -4.443 -26.239 639 2HD ARG 79 HD1 ARG 79 -0.234 -5.683 -25.039 640 HE ARG 79 HE ARG 79 -2.219 -3.801 -24.775 641 1HH1 ARG 79 HH11 ARG 79 -1.021 -5.799 -27.387 642 2HH1 ARG 79 HH12 ARG 79 -2.577 -5.939 -28.151 643 1HH2 ARG 79 HH21 ARG 79 -4.254 -3.995 -25.770 644 2HH2 ARG 79 HH22 ARG 79 -4.417 -4.920 -27.228 645 H ASN 80 HN ASN 80 -1.595 -5.482 -20.374 646 HA ASN 80 HA ASN 80 -2.480 -7.430 -19.691 647 1HB ASN 80 HB2 ASN 80 -4.230 -7.062 -22.109 648 2HB ASN 80 HB1 ASN 80 -4.334 -8.506 -21.106 649 1HD2 ASN 80 HD21 ASN 80 -4.964 -5.099 -21.308 650 2HD2 ASN 80 HD22 ASN 80 -5.924 -4.988 -19.868 651 HA PRO 81 HA PRO 81 0.276 -10.156 -21.704 652 1HB PRO 81 HB2 PRO 81 -0.356 -12.368 -20.089 653 2HB PRO 81 HB1 PRO 81 0.895 -11.165 -19.796 654 1HG PRO 81 HG2 PRO 81 -1.498 -11.570 -18.334 655 2HG PRO 81 HG1 PRO 81 -0.296 -10.297 -18.101 656 1HD PRO 81 HD2 PRO 81 -2.931 -10.169 -19.373 657 2HD PRO 81 HD1 PRO 81 -1.904 -8.865 -18.749 658 H SER 82 HN SER 82 -3.044 -10.546 -21.890 659 HA SER 82 HA SER 82 -3.213 -13.167 -22.943 660 1HB SER 82 HB2 SER 82 -5.408 -11.932 -23.958 661 2HB SER 82 HB1 SER 82 -5.299 -12.548 -22.308 662 HG SER 82 HG SER 82 -5.470 -10.580 -21.626 663 H ASP 83 HN ASP 83 -1.933 -10.343 -24.232 664 HA ASP 83 HA ASP 83 -2.519 -10.913 -27.005 665 1HB ASP 83 HB2 ASP 83 -2.195 -8.590 -26.148 666 2HB ASP 83 HB1 ASP 83 -0.510 -8.978 -25.822 667 H PHE 84 HN PHE 84 -0.341 -12.063 -24.704 668 HA PHE 84 HA PHE 84 1.599 -12.853 -26.777 669 1HB PHE 84 HB2 PHE 84 2.217 -12.410 -23.851 670 2HB PHE 84 HB1 PHE 84 3.367 -12.682 -25.156 671 HD1 PHE 84 HD1 PHE 84 3.644 -10.921 -26.917 672 HD2 PHE 84 HD2 PHE 84 1.428 -10.260 -23.347 673 HE1 PHE 84 HE1 PHE 84 3.796 -8.492 -27.276 674 HE2 PHE 84 HE2 PHE 84 1.575 -7.830 -23.700 675 HZ PHE 84 HZ PHE 84 2.759 -6.943 -25.667 676 H LYS 85 HN LYS 85 2.426 -14.937 -26.702 677 HA LYS 85 HA LYS 85 0.916 -16.807 -25.002 678 1HB LYS 85 HB2 LYS 85 0.527 -17.212 -27.340 679 2HB LYS 85 HB1 LYS 85 2.247 -17.164 -27.691 680 1HG LYS 85 HG2 LYS 85 2.487 -19.198 -26.239 681 2HG LYS 85 HG1 LYS 85 0.727 -19.288 -26.207 682 1HD LYS 85 HD2 LYS 85 1.485 -20.761 -27.923 683 2HD LYS 85 HD1 LYS 85 0.778 -19.353 -28.714 684 1HE LYS 85 HE2 LYS 85 3.732 -19.607 -28.200 685 2HE LYS 85 HE1 LYS 85 2.973 -20.240 -29.657 686 1HZ LYS 85 HZ1 LYS 85 3.810 -18.095 -30.156 687 2HZ LYS 85 HZ2 LYS 85 3.110 -17.404 -28.779 688 3HZ LYS 85 HZ3 LYS 85 2.125 -17.940 -30.052 689 H ASN 86 HN ASN 86 4.073 -16.678 -26.639 690 HA ASN 86 HA ASN 86 5.242 -18.516 -24.756 691 1HB ASN 86 HB2 ASN 86 5.792 -18.197 -27.272 692 2HB ASN 86 HB1 ASN 86 6.756 -16.826 -26.745 693 1HD2 ASN 86 HD21 ASN 86 7.649 -19.190 -28.076 694 2HD2 ASN 86 HD22 ASN 86 8.780 -19.981 -27.021 695 H ALA 87 HN ALA 87 7.080 -18.020 -23.411 696 HA ALA 87 HA ALA 87 6.943 -15.605 -21.954 697 1HB ALA 87 HB1 ALA 87 9.201 -17.604 -22.148 698 2HB ALA 87 HB2 ALA 87 7.874 -17.645 -20.986 699 3HB ALA 87 HB3 ALA 87 9.058 -16.338 -20.928 700 H ASP 88 HN ASP 88 8.882 -16.732 -24.637 701 HA ASP 88 HA ASP 88 10.771 -14.739 -24.913 702 1HB ASP 88 HB2 ASP 88 10.694 -16.784 -26.286 703 2HB ASP 88 HB1 ASP 88 9.269 -16.172 -27.118 704 H GLU 89 HN GLU 89 7.496 -14.818 -26.296 705 HA GLU 89 HA GLU 89 7.524 -12.342 -27.578 706 1HB GLU 89 HB2 GLU 89 5.190 -13.769 -26.275 707 2HB GLU 89 HB1 GLU 89 5.055 -12.453 -27.432 708 1HG GLU 89 HG2 GLU 89 6.077 -13.820 -29.152 709 2HG GLU 89 HG1 GLU 89 6.311 -15.131 -27.996 710 H ARG 90 HN ARG 90 6.833 -13.210 -24.249 711 HA ARG 90 HA ARG 90 5.970 -10.606 -23.461 712 1HB ARG 90 HB2 ARG 90 6.491 -13.189 -22.121 713 2HB ARG 90 HB1 ARG 90 6.636 -11.751 -21.116 714 1HG ARG 90 HG2 ARG 90 4.390 -11.113 -21.563 715 2HG ARG 90 HG1 ARG 90 4.224 -12.355 -22.807 716 1HD ARG 90 HD2 ARG 90 5.008 -13.283 -20.119 717 2HD ARG 90 HD1 ARG 90 3.369 -12.649 -20.276 718 HE ARG 90 HE ARG 90 4.344 -14.765 -22.082 719 1HH1 ARG 90 HH11 ARG 90 2.069 -13.601 -19.688 720 2HH1 ARG 90 HH12 ARG 90 0.958 -14.918 -19.910 721 1HH2 ARG 90 HH21 ARG 90 2.864 -16.516 -22.369 722 2HH2 ARG 90 HH22 ARG 90 1.419 -16.561 -21.408 723 H ILE 91 HN ILE 91 9.067 -12.303 -23.444 724 HA ILE 91 HA ILE 91 10.505 -10.415 -21.902 725 HB ILE 91 HB ILE 91 11.675 -11.963 -24.221 726 1HG1 ILE 91 HG12 ILE 91 10.439 -13.511 -22.722 727 2HG1 ILE 91 HG11 ILE 91 12.174 -13.791 -22.709 728 1HG2 ILE 91 HG21 ILE 91 13.109 -10.245 -23.285 729 2HG2 ILE 91 HG22 ILE 91 13.738 -11.844 -22.890 730 3HG2 ILE 91 HG23 ILE 91 12.880 -10.907 -21.665 731 1HD1 ILE 91 HD11 ILE 91 12.346 -12.600 -20.589 732 2HD1 ILE 91 HD12 ILE 91 11.235 -13.969 -20.487 733 3HD1 ILE 91 HD13 ILE 91 10.604 -12.325 -20.605 734 H ALA 92 HN ALA 92 9.997 -10.766 -25.382 735 HA ALA 92 HA ALA 92 11.575 -8.660 -26.266 736 1HB ALA 92 HB1 ALA 92 9.053 -9.719 -27.530 737 2HB ALA 92 HB2 ALA 92 10.671 -10.394 -27.731 738 3HB ALA 92 HB3 ALA 92 10.307 -8.778 -28.337 739 H TYR 93 HN TYR 93 8.127 -8.639 -25.364 740 HA TYR 93 HA TYR 93 7.691 -5.978 -26.222 741 1HB TYR 93 HB2 TYR 93 5.882 -7.700 -25.813 742 2HB TYR 93 HB1 TYR 93 6.085 -7.387 -24.089 743 HD1 TYR 93 HD2 TYR 93 5.419 -5.647 -27.304 744 HD2 TYR 93 HD1 TYR 93 4.849 -5.651 -23.079 745 HE1 TYR 93 HE2 TYR 93 3.930 -3.706 -27.510 746 HE2 TYR 93 HE1 TYR 93 3.361 -3.705 -23.283 747 HH TYR 93 HH TYR 93 2.919 -1.878 -24.807 748 H ILE 94 HN ILE 94 8.352 -7.338 -22.999 749 HA ILE 94 HA ILE 94 8.157 -4.834 -21.677 750 HB ILE 94 HB ILE 94 9.649 -7.301 -20.759 751 1HG1 ILE 94 HG12 ILE 94 6.808 -6.409 -20.185 752 2HG1 ILE 94 HG11 ILE 94 7.257 -7.731 -21.256 753 1HG2 ILE 94 HG21 ILE 94 10.321 -5.327 -19.528 754 2HG2 ILE 94 HG22 ILE 94 9.311 -6.346 -18.504 755 3HG2 ILE 94 HG23 ILE 94 8.636 -4.895 -19.243 756 1HD1 ILE 94 HD11 ILE 94 6.502 -8.546 -19.091 757 2HD1 ILE 94 HD12 ILE 94 7.771 -7.618 -18.292 758 3HD1 ILE 94 HD13 ILE 94 8.196 -8.949 -19.366 759 H LEU 95 HN LEU 95 10.834 -6.648 -23.079 760 HA LEU 95 HA LEU 95 12.843 -4.816 -22.226 761 1HB LEU 95 HB2 LEU 95 12.741 -7.165 -24.034 762 2HB LEU 95 HB1 LEU 95 14.068 -6.041 -24.249 763 HG LEU 95 HG LEU 95 14.679 -7.929 -22.803 764 1HD1 LEU 95 HD11 LEU 95 15.809 -5.804 -22.509 765 2HD1 LEU 95 HD12 LEU 95 15.615 -6.618 -20.957 766 3HD1 LEU 95 HD13 LEU 95 14.558 -5.272 -21.385 767 1HD2 LEU 95 HD21 LEU 95 13.720 -8.122 -20.560 768 2HD2 LEU 95 HD22 LEU 95 12.501 -8.374 -21.808 769 3HD2 LEU 95 HD23 LEU 95 12.569 -6.840 -20.941 770 H LYS 96 HN LYS 96 10.561 -4.773 -24.777 771 HA LYS 96 HA LYS 96 12.030 -3.016 -26.490 772 1HB LYS 96 HB2 LYS 96 10.151 -4.373 -27.339 773 2HB LYS 96 HB1 LYS 96 9.042 -3.475 -26.311 774 1HG LYS 96 HG2 LYS 96 9.582 -1.422 -27.532 775 2HG LYS 96 HG1 LYS 96 10.674 -2.337 -28.571 776 1HD LYS 96 HD2 LYS 96 8.788 -3.701 -29.337 777 2HD LYS 96 HD1 LYS 96 7.700 -2.770 -28.305 778 1HE LYS 96 HE2 LYS 96 8.271 -0.739 -29.541 779 2HE LYS 96 HE1 LYS 96 9.357 -1.667 -30.572 780 1HZ LYS 96 HZ1 LYS 96 6.430 -2.122 -30.345 781 2HZ LYS 96 HZ2 LYS 96 7.492 -2.913 -31.405 782 3HZ LYS 96 HZ3 LYS 96 7.183 -1.257 -31.594 783 H GLN 97 HN GLN 97 9.636 -2.626 -23.932 784 HA GLN 97 HA GLN 97 9.455 0.209 -24.298 785 1HB GLN 97 HB2 GLN 97 8.241 -1.793 -22.486 786 2HB GLN 97 HB1 GLN 97 8.299 -0.134 -21.909 787 1HG GLN 97 HG2 GLN 97 6.202 -0.879 -23.139 788 2HG GLN 97 HG1 GLN 97 6.936 0.643 -23.633 789 1HE2 GLN 97 HE21 GLN 97 6.402 -2.695 -24.499 790 2HE2 GLN 97 HE22 GLN 97 6.764 -2.514 -26.178 791 H ILE 98 HN ILE 98 11.423 -1.891 -22.308 792 HA ILE 98 HA ILE 98 12.322 0.202 -20.572 793 HB ILE 98 HB ILE 98 12.524 -2.228 -20.003 794 1HG1 ILE 98 HG12 ILE 98 15.126 -0.679 -19.994 795 2HG1 ILE 98 HG11 ILE 98 13.829 -0.497 -18.818 796 1HG2 ILE 98 HG21 ILE 98 14.814 -2.179 -21.960 797 2HG2 ILE 98 HG22 ILE 98 13.275 -3.000 -22.205 798 3HG2 ILE 98 HG23 ILE 98 14.356 -3.524 -20.914 799 1HD1 ILE 98 HD11 ILE 98 15.639 -1.841 -17.935 800 2HD1 ILE 98 HD12 ILE 98 15.466 -2.978 -19.271 801 3HD1 ILE 98 HD13 ILE 98 14.166 -2.798 -18.091 802 H ASP 99 HN ASP 99 12.904 -0.595 -23.795 803 HA ASP 99 HA ASP 99 15.421 0.902 -23.880 804 1HB ASP 99 HB2 ASP 99 15.546 -1.193 -25.032 805 2HB ASP 99 HB1 ASP 99 14.037 -0.882 -25.885 806 H ASN 100 HN ASN 100 12.246 0.758 -25.465 807 HA ASN 100 HA ASN 100 12.557 3.119 -26.990 808 1HB ASN 100 HB2 ASN 100 10.906 1.301 -27.446 809 2HB ASN 100 HB1 ASN 100 9.979 1.839 -26.052 810 1HD2 ASN 100 HD21 ASN 100 8.180 2.301 -27.293 811 2HD2 ASN 100 HD22 ASN 100 8.111 3.658 -28.369 812 H LYS 101 HN LYS 101 11.043 2.501 -23.852 813 HA LYS 101 HA LYS 101 10.584 5.366 -23.476 814 1HB LYS 101 HB2 LYS 101 8.692 4.062 -22.875 815 2HB LYS 101 HB1 LYS 101 9.674 2.902 -21.995 816 1HG LYS 101 HG2 LYS 101 10.135 4.587 -20.285 817 2HG LYS 101 HG1 LYS 101 9.146 5.750 -21.170 818 1HD LYS 101 HD2 LYS 101 7.903 4.733 -19.319 819 2HD LYS 101 HD1 LYS 101 7.186 4.334 -20.881 820 1HE LYS 101 HE2 LYS 101 7.195 2.355 -19.538 821 2HE LYS 101 HE1 LYS 101 8.396 2.162 -20.811 822 1HZ LYS 101 HZ1 LYS 101 10.124 2.704 -19.214 823 2HZ LYS 101 HZ2 LYS 101 9.210 1.389 -18.667 824 3HZ LYS 101 HZ3 LYS 101 8.971 2.925 -17.991 825 H GLY 102 HN GLY 102 12.608 2.753 -22.419 826 1HA GLY 102 HA2 GLY 102 13.489 3.978 -19.990 827 2HA GLY 102 HA1 GLY 102 14.192 2.567 -20.760 828 H GLU 103 HN GLU 103 14.172 4.782 -23.144 829 HA GLU 103 HA GLU 103 16.939 5.491 -22.763 830 1HB GLU 103 HB2 GLU 103 16.766 6.588 -24.933 831 2HB GLU 103 HB1 GLU 103 16.057 4.981 -25.015 832 1HG GLU 103 HG2 GLU 103 13.870 5.826 -25.070 833 2HG GLU 103 HG1 GLU 103 14.388 7.425 -24.538 834 H LEU 104 HN LEU 104 13.892 6.827 -22.028 835 HA LEU 104 HA LEU 104 14.717 9.582 -22.112 836 1HB LEU 104 HB2 LEU 104 12.217 8.307 -20.998 837 2HB LEU 104 HB1 LEU 104 12.487 10.033 -21.145 838 HG LEU 104 HG LEU 104 12.349 8.096 -23.458 839 1HD1 LEU 104 HD11 LEU 104 10.187 8.388 -22.363 840 2HD1 LEU 104 HD12 LEU 104 10.210 9.162 -23.946 841 3HD1 LEU 104 HD13 LEU 104 10.357 10.139 -22.486 842 1HD2 LEU 104 HD21 LEU 104 13.800 10.006 -23.908 843 2HD2 LEU 104 HD22 LEU 104 12.518 11.107 -23.405 844 3HD2 LEU 104 HD23 LEU 104 12.307 10.110 -24.843 845 H GLU 105 HN GLU 105 16.401 9.805 -20.716 846 HA GLU 105 HA GLU 105 16.295 8.963 -17.988 847 1HB GLU 105 HB2 GLU 105 18.111 10.811 -19.524 848 2HB GLU 105 HB1 GLU 105 18.280 10.579 -17.789 849 1HG GLU 105 HG2 GLU 105 18.291 8.274 -19.708 850 2HG GLU 105 HG1 GLU 105 19.753 9.175 -19.310 851 H HIS 106 HN HIS 106 14.682 11.318 -19.626 852 HA HIS 106 HA HIS 106 14.506 13.420 -17.765 853 1HB HIS 106 HB2 HIS 106 13.608 13.440 -20.118 854 2HB HIS 106 HB1 HIS 106 12.299 12.398 -19.571 855 HD1 HIS 106 HD1 HIS 106 10.335 13.501 -18.399 856 HD2 HIS 106 HD2 HIS 106 13.519 16.098 -19.075 857 HE1 HIS 106 HE1 HIS 106 9.456 15.803 -17.895 858 HE2 HIS 106 HE2 HIS 106 11.375 17.367 -18.374 859 H HIS 107 HN HIS 107 13.020 10.267 -17.968 860 HA HIS 107 HA HIS 107 11.570 10.716 -15.461 861 1HB HIS 107 HB2 HIS 107 10.471 9.510 -17.398 862 2HB HIS 107 HB1 HIS 107 11.641 8.215 -17.174 863 HD1 HIS 107 HD1 HIS 107 11.097 6.472 -15.438 864 HD2 HIS 107 HD2 HIS 107 8.642 9.816 -15.168 865 HE1 HIS 107 HE1 HIS 107 9.285 5.848 -13.817 866 HE2 HIS 107 HE2 HIS 107 7.831 7.895 -13.630 867 H HIS 108 HN HIS 108 13.500 10.957 -14.217 868 HA HIS 108 HA HIS 108 15.491 8.863 -14.381 869 1HB HIS 108 HB2 HIS 108 15.528 11.626 -13.688 870 2HB HIS 108 HB1 HIS 108 16.150 10.704 -12.322 871 HD1 HIS 108 HD1 HIS 108 18.170 12.423 -13.673 872 HD2 HIS 108 HD2 HIS 108 17.337 8.560 -14.958 873 HE1 HIS 108 HE1 HIS 108 20.177 11.705 -15.008 874 HE2 HIS 108 HE2 HIS 108 19.605 9.402 -15.869 875 H HIS 109 HN HIS 109 14.571 7.089 -13.470 876 HA HIS 109 HA HIS 109 14.781 7.139 -10.557 877 1HB HIS 109 HB2 HIS 109 12.342 7.182 -11.238 878 2HB HIS 109 HB1 HIS 109 12.593 5.600 -11.967 879 HD1 HIS 109 HD1 HIS 109 11.237 4.170 -10.425 880 HD2 HIS 109 HD2 HIS 109 13.868 6.658 -8.385 881 HE1 HIS 109 HE1 HIS 109 11.175 3.402 -8.025 882 HE2 HIS 109 HE2 HIS 109 12.926 4.798 -6.855 883 H HIS 110 HN HIS 110 16.334 6.284 -13.008 884 HA HIS 110 HA HIS 110 16.536 3.435 -12.836 885 1HB HIS 110 HB2 HIS 110 18.220 5.562 -14.146 886 2HB HIS 110 HB1 HIS 110 18.767 3.892 -14.074 887 HD1 HIS 110 HD1 HIS 110 17.544 5.897 -16.542 888 HD2 HIS 110 HD2 HIS 110 16.113 2.314 -14.960 889 HE1 HIS 110 HE1 HIS 110 16.095 4.889 -18.330 890 HE2 HIS 110 HE2 HIS 110 15.433 2.629 -17.434 891 H HIS 111 HN HIS 111 18.760 6.058 -11.860 892 HA HIS 111 HA HIS 111 19.203 4.889 -9.308 893 1HB HIS 111 HB2 HIS 111 21.532 4.308 -9.484 894 2HB HIS 111 HB1 HIS 111 20.665 3.431 -10.735 895 HD1 HIS 111 HD1 HIS 111 23.478 5.681 -10.196 896 HD2 HIS 111 HD2 HIS 111 21.057 4.579 -13.395 897 HE1 HIS 111 HE1 HIS 111 24.710 6.409 -12.263 898 HE2 HIS 111 HE2 HIS 111 23.123 5.940 -14.162 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -5.122 -2.253 1.207 2 2H MET 1 HT2 MET 1 -4.336 -0.839 0.693 3 3H MET 1 HT3 MET 1 -5.652 -1.443 -0.186 4 HA MET 1 HA MET 1 -5.781 -0.409 2.585 5 1HB MET 1 HB2 MET 1 -5.374 1.346 0.879 6 2HB MET 1 HB1 MET 1 -6.786 0.793 -0.008 7 1HG MET 1 HG2 MET 1 -8.198 1.367 1.922 8 2HG MET 1 HG1 MET 1 -6.772 1.975 2.759 9 1HE MET 1 HE1 MET 1 -9.273 2.493 -0.208 10 2HE MET 1 HE2 MET 1 -7.738 2.281 -1.051 11 3HE MET 1 HE3 MET 1 -8.543 3.850 -1.067 12 H PHE 2 HN PHE 2 -7.682 -0.796 3.630 13 HA PHE 2 HA PHE 2 -9.585 -2.555 2.280 14 1HB PHE 2 HB2 PHE 2 -9.413 -1.756 5.196 15 2HB PHE 2 HB1 PHE 2 -10.495 -2.969 4.523 16 HD1 PHE 2 HD1 PHE 2 -9.415 -4.983 3.358 17 HD2 PHE 2 HD2 PHE 2 -7.308 -2.352 5.957 18 HE1 PHE 2 HE1 PHE 2 -7.696 -6.710 3.706 19 HE2 PHE 2 HE2 PHE 2 -5.584 -4.071 6.306 20 HZ PHE 2 HZ PHE 2 -5.777 -6.254 5.180 21 H THR 3 HN THR 3 -11.525 -1.874 1.600 22 HA THR 3 HA THR 3 -12.456 0.765 2.514 23 HB THR 3 HB THR 3 -13.187 0.065 -0.239 24 HG1 THR 3 HG1 THR 3 -11.122 -0.719 -0.416 25 1HG2 THR 3 HG21 THR 3 -11.881 2.487 1.007 26 2HG2 THR 3 HG22 THR 3 -13.613 2.259 0.759 27 3HG2 THR 3 HG23 THR 3 -12.533 2.396 -0.629 28 H ALA 4 HN ALA 4 -14.536 0.845 3.111 29 HA ALA 4 HA ALA 4 -16.231 -1.497 2.539 30 1HB ALA 4 HB1 ALA 4 -17.463 -0.943 4.567 31 2HB ALA 4 HB2 ALA 4 -16.434 0.466 4.823 32 3HB ALA 4 HB3 ALA 4 -15.749 -1.156 4.920 33 H LYS 5 HN LYS 5 -18.113 -1.214 1.481 34 HA LYS 5 HA LYS 5 -19.146 1.515 1.165 35 1HB LYS 5 HB2 LYS 5 -17.822 1.034 -0.825 36 2HB LYS 5 HB1 LYS 5 -18.685 -0.478 -1.062 37 1HG LYS 5 HG2 LYS 5 -20.726 0.708 -1.546 38 2HG LYS 5 HG1 LYS 5 -19.953 2.250 -1.174 39 1HD LYS 5 HD2 LYS 5 -20.096 1.861 -3.594 40 2HD LYS 5 HD1 LYS 5 -18.422 1.958 -3.043 41 1HE LYS 5 HE2 LYS 5 -18.294 -0.487 -3.033 42 2HE LYS 5 HE1 LYS 5 -19.959 -0.576 -3.604 43 1HZ LYS 5 HZ1 LYS 5 -19.202 0.732 -5.582 44 2HZ LYS 5 HZ2 LYS 5 -18.564 -0.835 -5.475 45 3HZ LYS 5 HZ3 LYS 5 -17.602 0.497 -5.055 46 H LEU 6 HN LEU 6 -21.247 1.605 1.655 47 HA LEU 6 HA LEU 6 -22.745 -0.727 2.260 48 1HB LEU 6 HB2 LEU 6 -23.289 2.178 2.215 49 2HB LEU 6 HB1 LEU 6 -24.683 1.139 2.006 50 HG LEU 6 HG LEU 6 -24.510 1.697 4.316 51 1HD1 LEU 6 HD11 LEU 6 -23.499 -1.112 3.899 52 2HD1 LEU 6 HD12 LEU 6 -25.184 -0.597 3.835 53 3HD1 LEU 6 HD13 LEU 6 -24.290 -0.497 5.351 54 1HD2 LEU 6 HD21 LEU 6 -22.178 2.349 4.353 55 2HD2 LEU 6 HD22 LEU 6 -21.692 0.662 4.186 56 3HD2 LEU 6 HD23 LEU 6 -22.532 1.197 5.641 57 H ILE 7 HN ILE 7 -24.239 -1.814 1.164 58 HA ILE 7 HA ILE 7 -24.919 -0.881 -1.549 59 HB ILE 7 HB ILE 7 -25.199 -3.242 -2.185 60 1HG1 ILE 7 HG12 ILE 7 -24.000 -3.851 0.524 61 2HG1 ILE 7 HG11 ILE 7 -25.687 -4.108 0.092 62 1HG2 ILE 7 HG21 ILE 7 -23.092 -2.055 -2.581 63 2HG2 ILE 7 HG22 ILE 7 -22.855 -3.784 -2.344 64 3HG2 ILE 7 HG23 ILE 7 -22.482 -2.657 -1.040 65 1HD1 ILE 7 HD11 ILE 7 -23.304 -5.485 -1.123 66 2HD1 ILE 7 HD12 ILE 7 -24.982 -5.723 -1.614 67 3HD1 ILE 7 HD13 ILE 7 -24.463 -6.184 0.007 68 H LYS 8 HN LYS 8 -25.970 -1.266 1.489 69 HA LYS 8 HA LYS 8 -28.776 -1.250 0.709 70 1HB LYS 8 HB2 LYS 8 -27.585 -3.088 2.795 71 2HB LYS 8 HB1 LYS 8 -29.298 -2.767 2.661 72 1HG LYS 8 HG2 LYS 8 -29.190 -3.678 0.327 73 2HG LYS 8 HG1 LYS 8 -27.533 -4.179 0.684 74 1HD LYS 8 HD2 LYS 8 -28.389 -5.470 2.615 75 2HD LYS 8 HD1 LYS 8 -30.032 -5.041 2.138 76 1HE LYS 8 HE2 LYS 8 -29.641 -6.139 -0.042 77 2HE LYS 8 HE1 LYS 8 -28.047 -6.638 0.526 78 1HZ LYS 8 HZ1 LYS 8 -30.697 -7.507 1.514 79 2HZ LYS 8 HZ2 LYS 8 -29.290 -7.725 2.431 80 3HZ LYS 8 HZ3 LYS 8 -29.429 -8.465 0.911 81 H GLY 9 HN GLY 9 -30.070 -0.036 2.160 82 1HA GLY 9 HA2 GLY 9 -30.518 1.005 4.237 83 2HA GLY 9 HA1 GLY 9 -28.811 0.901 4.635 84 H LYS 10 HN LYS 10 -28.034 2.015 2.020 85 HA LYS 10 HA LYS 10 -27.645 3.959 0.952 86 1HB LYS 10 HB2 LYS 10 -30.139 4.251 0.980 87 2HB LYS 10 HB1 LYS 10 -29.943 5.209 2.443 88 1HG LYS 10 HG2 LYS 10 -28.658 6.852 1.283 89 2HG LYS 10 HG1 LYS 10 -28.588 5.848 -0.164 90 1HD LYS 10 HD2 LYS 10 -31.070 6.023 -0.323 91 2HD LYS 10 HD1 LYS 10 -31.028 7.167 1.021 92 1HE LYS 10 HE2 LYS 10 -29.610 8.662 -0.282 93 2HE LYS 10 HE1 LYS 10 -29.601 7.511 -1.617 94 1HZ LYS 10 HZ1 LYS 10 -32.049 7.783 -1.730 95 2HZ LYS 10 HZ2 LYS 10 -31.189 9.202 -2.081 96 3HZ LYS 10 HZ3 LYS 10 -31.936 9.020 -0.571 97 H THR 11 HN THR 11 -28.265 4.231 4.404 98 HA THR 11 HA THR 11 -25.652 5.447 4.718 99 HB THR 11 HB THR 11 -28.098 6.801 5.888 100 HG1 THR 11 HG1 THR 11 -26.945 7.033 3.454 101 1HG2 THR 11 HG21 THR 11 -26.503 8.559 6.529 102 2HG2 THR 11 HG22 THR 11 -25.180 7.588 5.884 103 3HG2 THR 11 HG23 THR 11 -26.096 7.014 7.278 104 H TYR 12 HN TYR 12 -24.671 4.473 6.393 105 HA TYR 12 HA TYR 12 -26.309 3.317 8.533 106 1HB TYR 12 HB2 TYR 12 -25.944 1.586 6.760 107 2HB TYR 12 HB1 TYR 12 -24.211 1.746 7.014 108 HD1 TYR 12 HD2 TYR 12 -27.379 0.711 8.630 109 HD2 TYR 12 HD1 TYR 12 -23.131 0.588 8.771 110 HE1 TYR 12 HE2 TYR 12 -27.492 -1.003 10.389 111 HE2 TYR 12 HE1 TYR 12 -23.231 -1.131 10.527 112 HH TYR 12 HH TYR 12 -25.992 -2.863 11.235 113 H ASN 13 HN ASN 13 -25.318 3.252 10.500 114 HA ASN 13 HA ASN 13 -22.724 4.630 10.658 115 1HB ASN 13 HB2 ASN 13 -24.887 4.245 12.743 116 2HB ASN 13 HB1 ASN 13 -23.363 5.080 13.022 117 1HD2 ASN 13 HD21 ASN 13 -26.482 5.219 11.515 118 2HD2 ASN 13 HD22 ASN 13 -26.432 6.899 11.110 119 H VAL 14 HN VAL 14 -20.976 3.481 11.169 120 HA VAL 14 HA VAL 14 -21.344 1.015 12.754 121 HB VAL 14 HB VAL 14 -19.108 1.571 10.799 122 1HG1 VAL 14 HG11 VAL 14 -18.440 0.126 12.641 123 2HG1 VAL 14 HG12 VAL 14 -18.529 -0.782 11.131 124 3HG1 VAL 14 HG13 VAL 14 -19.818 -0.929 12.325 125 1HG2 VAL 14 HG21 VAL 14 -21.214 1.245 9.618 126 2HG2 VAL 14 HG22 VAL 14 -21.493 -0.251 10.511 127 3HG2 VAL 14 HG23 VAL 14 -20.142 -0.136 9.382 128 H MET 15 HN MET 15 -20.940 1.664 14.766 129 HA MET 15 HA MET 15 -19.841 2.353 16.611 130 1HB MET 15 HB2 MET 15 -17.427 2.183 14.805 131 2HB MET 15 HB1 MET 15 -17.337 2.517 16.528 132 1HG MET 15 HG2 MET 15 -18.449 0.346 16.958 133 2HG MET 15 HG1 MET 15 -18.379 0.013 15.228 134 1HE MET 15 HE1 MET 15 -17.133 -2.275 15.755 135 2HE MET 15 HE2 MET 15 -17.162 -1.926 17.484 136 3HE MET 15 HE3 MET 15 -15.650 -2.387 16.703 137 H GLY 16 HN GLY 16 -17.612 4.080 14.501 138 1HA GLY 16 HA2 GLY 16 -18.915 6.594 15.329 139 2HA GLY 16 HA1 GLY 16 -17.169 6.394 15.403 140 H ILE 17 HN ILE 17 -18.171 4.705 12.755 141 HA ILE 17 HA ILE 17 -17.553 6.997 11.020 142 HB ILE 17 HB ILE 17 -17.395 4.083 10.221 143 1HG1 ILE 17 HG12 ILE 17 -14.852 4.588 10.261 144 2HG1 ILE 17 HG11 ILE 17 -15.272 5.900 11.356 145 1HG2 ILE 17 HG21 ILE 17 -16.335 6.600 8.942 146 2HG2 ILE 17 HG22 ILE 17 -17.702 5.636 8.382 147 3HG2 ILE 17 HG23 ILE 17 -16.073 4.960 8.348 148 1HD1 ILE 17 HD11 ILE 17 -14.553 3.939 12.572 149 2HD1 ILE 17 HD12 ILE 17 -15.810 2.973 11.799 150 3HD1 ILE 17 HD13 ILE 17 -16.252 4.277 12.901 151 H THR 18 HN THR 18 -19.111 7.795 9.801 152 HA THR 18 HA THR 18 -21.602 6.292 9.472 153 HB THR 18 HB THR 18 -21.028 9.148 8.654 154 HG1 THR 18 HG1 THR 18 -21.399 8.044 11.140 155 1HG2 THR 18 HG21 THR 18 -22.994 8.130 7.596 156 2HG2 THR 18 HG22 THR 18 -23.467 9.386 8.739 157 3HG2 THR 18 HG23 THR 18 -23.622 7.687 9.184 158 H PHE 19 HN PHE 19 -21.844 5.116 7.680 159 HA PHE 19 HA PHE 19 -20.271 5.837 5.297 160 1HB PHE 19 HB2 PHE 19 -21.563 3.211 6.048 161 2HB PHE 19 HB1 PHE 19 -20.665 3.511 4.568 162 HD1 PHE 19 HD2 PHE 19 -18.239 3.826 4.640 163 HD2 PHE 19 HD1 PHE 19 -20.472 2.784 8.106 164 HE1 PHE 19 HE2 PHE 19 -16.171 3.096 5.749 165 HE2 PHE 19 HE1 PHE 19 -18.406 2.046 9.215 166 HZ PHE 19 HZ PHE 19 -16.255 2.202 8.041 167 H ARG 20 HN ARG 20 -21.266 5.636 3.218 168 HA ARG 20 HA ARG 20 -24.215 5.658 3.250 169 1HB ARG 20 HB2 ARG 20 -22.494 7.209 1.310 170 2HB ARG 20 HB1 ARG 20 -24.242 7.263 1.450 171 1HG ARG 20 HG2 ARG 20 -23.908 8.212 3.761 172 2HG ARG 20 HG1 ARG 20 -22.196 8.371 3.349 173 1HD ARG 20 HD2 ARG 20 -23.096 9.582 1.232 174 2HD ARG 20 HD1 ARG 20 -24.568 9.773 2.181 175 HE ARG 20 HE ARG 20 -21.960 10.739 3.166 176 1HH1 ARG 20 HH11 ARG 20 -25.373 11.246 2.521 177 2HH1 ARG 20 HH12 ARG 20 -25.338 12.914 3.010 178 1HH2 ARG 20 HH21 ARG 20 -21.918 12.905 3.825 179 2HH2 ARG 20 HH22 ARG 20 -23.375 13.851 3.777 180 H ALA 21 HN ALA 21 -25.227 4.791 1.319 181 HA ALA 21 HA ALA 21 -23.839 2.548 0.226 182 1HB ALA 21 HB1 ALA 21 -26.281 2.567 0.590 183 2HB ALA 21 HB2 ALA 21 -25.835 2.133 -1.059 184 3HB ALA 21 HB3 ALA 21 -26.439 3.751 -0.708 185 H GLY 22 HN GLY 22 -22.626 2.413 -1.528 186 1HA GLY 22 HA2 GLY 22 -21.975 2.899 -3.737 187 2HA GLY 22 HA1 GLY 22 -22.927 4.375 -3.669 188 H VAL 23 HN VAL 23 -21.319 4.411 -0.862 189 HA VAL 23 HA VAL 23 -19.073 5.920 -2.019 190 HB VAL 23 HB VAL 23 -20.320 6.253 0.720 191 1HG1 VAL 23 HG11 VAL 23 -17.949 6.812 0.699 192 2HG1 VAL 23 HG12 VAL 23 -18.931 8.268 0.865 193 3HG1 VAL 23 HG13 VAL 23 -18.198 7.873 -0.689 194 1HG2 VAL 23 HG21 VAL 23 -21.827 7.013 -1.034 195 2HG2 VAL 23 HG22 VAL 23 -20.537 7.989 -1.740 196 3HG2 VAL 23 HG23 VAL 23 -21.170 8.386 -0.143 197 H SER 24 HN SER 24 -17.333 4.661 -2.040 198 HA SER 24 HA SER 24 -16.825 2.665 -0.039 199 1HB SER 24 HB2 SER 24 -15.003 3.745 -2.208 200 2HB SER 24 HB1 SER 24 -14.753 2.264 -1.283 201 HG SER 24 HG SER 24 -15.711 1.913 -3.366 202 H GLN 25 HN GLN 25 -16.104 3.147 1.932 203 HA GLN 25 HA GLN 25 -14.282 5.446 2.226 204 1HB GLN 25 HB2 GLN 25 -16.430 4.420 4.077 205 2HB GLN 25 HB1 GLN 25 -15.174 5.533 4.606 206 1HG GLN 25 HG2 GLN 25 -15.930 7.236 3.176 207 2HG GLN 25 HG1 GLN 25 -16.950 6.126 2.263 208 1HE2 GLN 25 HE21 GLN 25 -16.600 7.929 5.223 209 2HE2 GLN 25 HE22 GLN 25 -18.249 7.789 5.728 210 H THR 26 HN THR 26 -12.511 5.246 3.567 211 HA THR 26 HA THR 26 -11.323 2.663 3.590 212 HB THR 26 HB THR 26 -10.299 5.155 4.957 213 HG1 THR 26 HG1 THR 26 -9.202 5.436 2.854 214 1HG2 THR 26 HG21 THR 26 -9.072 3.088 5.464 215 2HG2 THR 26 HG22 THR 26 -8.097 4.192 4.493 216 3HG2 THR 26 HG23 THR 26 -8.859 2.792 3.738 217 H VAL 27 HN VAL 27 -11.180 1.190 5.188 218 HA VAL 27 HA VAL 27 -11.676 2.032 7.960 219 HB VAL 27 HB VAL 27 -13.077 0.117 8.428 220 1HG1 VAL 27 HG11 VAL 27 -15.081 0.712 7.171 221 2HG1 VAL 27 HG12 VAL 27 -14.091 1.619 6.025 222 3HG1 VAL 27 HG13 VAL 27 -14.197 2.141 7.707 223 1HG2 VAL 27 HG21 VAL 27 -12.830 -0.567 5.498 224 2HG2 VAL 27 HG22 VAL 27 -13.897 -1.367 6.651 225 3HG2 VAL 27 HG23 VAL 27 -12.148 -1.478 6.845 226 HA PRO 28 HA PRO 28 -8.236 -0.687 8.856 227 1HB PRO 28 HB2 PRO 28 -9.466 -1.315 11.439 228 2HB PRO 28 HB1 PRO 28 -7.981 -0.424 11.100 229 1HG PRO 28 HG2 PRO 28 -10.196 0.785 12.053 230 2HG PRO 28 HG1 PRO 28 -9.069 1.597 10.952 231 1HD PRO 28 HD2 PRO 28 -11.711 0.318 10.351 232 2HD PRO 28 HD1 PRO 28 -11.038 1.848 9.747 233 H LYS 29 HN LYS 29 -7.761 -2.951 9.443 234 HA LYS 29 HA LYS 29 -9.452 -4.703 8.027 235 1HB LYS 29 HB2 LYS 29 -7.950 -6.492 8.766 236 2HB LYS 29 HB1 LYS 29 -7.049 -5.090 8.206 237 1HG LYS 29 HG2 LYS 29 -6.714 -4.407 10.548 238 2HG LYS 29 HG1 LYS 29 -7.547 -5.874 11.066 239 1HD LYS 29 HD2 LYS 29 -5.846 -7.242 10.000 240 2HD LYS 29 HD1 LYS 29 -5.031 -5.795 9.400 241 1HE LYS 29 HE2 LYS 29 -5.418 -6.571 12.290 242 2HE LYS 29 HE1 LYS 29 -3.907 -6.636 11.382 243 1HZ LYS 29 HZ1 LYS 29 -4.002 -4.230 11.127 244 2HZ LYS 29 HZ2 LYS 29 -4.020 -4.661 12.768 245 3HZ LYS 29 HZ3 LYS 29 -5.452 -4.173 12.006 246 H LYS 30 HN LYS 30 -9.333 -3.857 11.404 247 HA LYS 30 HA LYS 30 -10.780 -6.084 12.388 248 1HB LYS 30 HB2 LYS 30 -10.496 -3.286 13.490 249 2HB LYS 30 HB1 LYS 30 -11.276 -4.610 14.346 250 1HG LYS 30 HG2 LYS 30 -9.114 -5.874 14.136 251 2HG LYS 30 HG1 LYS 30 -8.388 -4.375 13.553 252 1HD LYS 30 HD2 LYS 30 -7.985 -4.613 15.927 253 2HD LYS 30 HD1 LYS 30 -9.083 -3.261 15.638 254 1HE LYS 30 HE2 LYS 30 -9.825 -4.608 17.535 255 2HE LYS 30 HE1 LYS 30 -10.988 -4.668 16.212 256 1HZ LYS 30 HZ1 LYS 30 -10.247 -6.835 15.614 257 2HZ LYS 30 HZ2 LYS 30 -10.510 -6.850 17.290 258 3HZ LYS 30 HZ3 LYS 30 -8.933 -6.758 16.680 259 H LEU 31 HN LEU 31 -11.762 -2.974 11.053 260 HA LEU 31 HA LEU 31 -14.555 -3.489 11.559 261 1HB LEU 31 HB2 LEU 31 -13.169 -1.352 9.940 262 2HB LEU 31 HB1 LEU 31 -14.909 -1.450 10.143 263 HG LEU 31 HG LEU 31 -12.870 -0.965 12.317 264 1HD1 LEU 31 HD11 LEU 31 -15.039 0.778 11.161 265 2HD1 LEU 31 HD12 LEU 31 -13.304 0.974 10.916 266 3HD1 LEU 31 HD13 LEU 31 -13.998 1.195 12.522 267 1HD2 LEU 31 HD21 LEU 31 -14.695 -2.372 13.138 268 2HD2 LEU 31 HD22 LEU 31 -15.870 -1.207 12.528 269 3HD2 LEU 31 HD23 LEU 31 -14.771 -0.751 13.830 270 H TYR 32 HN TYR 32 -12.266 -3.820 8.945 271 HA TYR 32 HA TYR 32 -14.014 -4.486 6.862 272 1HB TYR 32 HB2 TYR 32 -11.534 -4.081 6.692 273 2HB TYR 32 HB1 TYR 32 -11.279 -5.674 7.390 274 HD1 TYR 32 HD1 TYR 32 -12.619 -3.877 4.453 275 HD2 TYR 32 HD2 TYR 32 -11.397 -7.628 6.046 276 HE1 TYR 32 HE1 TYR 32 -12.673 -4.844 2.195 277 HE2 TYR 32 HE2 TYR 32 -11.452 -8.608 3.791 278 HH TYR 32 HH TYR 32 -12.538 -8.174 1.613 279 H GLU 33 HN GLU 33 -12.568 -6.425 9.427 280 HA GLU 33 HA GLU 33 -13.769 -8.897 8.688 281 1HB GLU 33 HB2 GLU 33 -11.766 -8.775 10.091 282 2HB GLU 33 HB1 GLU 33 -12.672 -7.930 11.337 283 1HG GLU 33 HG2 GLU 33 -14.052 -9.905 11.686 284 2HG GLU 33 HG1 GLU 33 -13.167 -10.755 10.417 285 H TYR 34 HN TYR 34 -14.602 -6.344 10.995 286 HA TYR 34 HA TYR 34 -16.831 -7.543 12.178 287 1HB TYR 34 HB2 TYR 34 -15.637 -5.418 12.898 288 2HB TYR 34 HB1 TYR 34 -16.536 -4.584 11.637 289 HD1 TYR 34 HD2 TYR 34 -18.947 -4.212 11.865 290 HD2 TYR 34 HD1 TYR 34 -16.726 -6.190 14.907 291 HE1 TYR 34 HE2 TYR 34 -20.815 -3.887 13.433 292 HE2 TYR 34 HE1 TYR 34 -18.584 -5.868 16.480 293 HH TYR 34 HH TYR 34 -21.669 -4.995 15.544 294 H LEU 35 HN LEU 35 -16.536 -5.584 9.255 295 HA LEU 35 HA LEU 35 -19.377 -5.666 8.749 296 1HB LEU 35 HB2 LEU 35 -17.108 -4.639 7.045 297 2HB LEU 35 HB1 LEU 35 -18.816 -4.415 6.709 298 HG LEU 35 HG LEU 35 -17.353 -3.322 9.117 299 1HD1 LEU 35 HD11 LEU 35 -17.696 -1.146 8.075 300 2HD1 LEU 35 HD12 LEU 35 -18.409 -1.929 6.665 301 3HD1 LEU 35 HD13 LEU 35 -16.710 -2.198 7.058 302 1HD2 LEU 35 HD21 LEU 35 -19.438 -2.093 9.528 303 2HD2 LEU 35 HD22 LEU 35 -19.667 -3.838 9.630 304 3HD2 LEU 35 HD23 LEU 35 -20.203 -2.962 8.196 305 H ASN 36 HN ASN 36 -16.669 -7.626 8.043 306 HA ASN 36 HA ASN 36 -17.701 -8.972 5.758 307 1HB ASN 36 HB2 ASN 36 -15.332 -9.152 6.525 308 2HB ASN 36 HB1 ASN 36 -15.883 -10.054 7.931 309 1HD2 ASN 36 HD21 ASN 36 -14.862 -11.933 7.507 310 2HD2 ASN 36 HD22 ASN 36 -15.216 -12.937 6.138 311 H GLU 37 HN GLU 37 -18.187 -9.135 9.178 312 HA GLU 37 HA GLU 37 -19.911 -11.460 9.071 313 1HB GLU 37 HB2 GLU 37 -19.110 -9.534 11.246 314 2HB GLU 37 HB1 GLU 37 -20.333 -10.770 11.500 315 1HG GLU 37 HG2 GLU 37 -17.527 -11.353 10.600 316 2HG GLU 37 HG1 GLU 37 -18.054 -11.379 12.283 317 H ASN 38 HN ASN 38 -20.348 -8.454 7.972 318 HA ASN 38 HA ASN 38 -23.108 -8.226 8.976 319 1HB ASN 38 HB2 ASN 38 -21.247 -6.500 9.687 320 2HB ASN 38 HB1 ASN 38 -21.564 -5.822 8.094 321 1HD2 ASN 38 HD21 ASN 38 -22.324 -3.934 9.088 322 2HD2 ASN 38 HD22 ASN 38 -23.900 -3.868 9.798 323 HA PRO 39 HA PRO 39 -23.269 -8.996 4.530 324 1HB PRO 39 HB2 PRO 39 -25.967 -9.969 4.940 325 2HB PRO 39 HB1 PRO 39 -24.511 -10.873 4.523 326 1HG PRO 39 HG2 PRO 39 -25.767 -11.091 6.930 327 2HG PRO 39 HG1 PRO 39 -24.028 -11.353 6.711 328 1HD PRO 39 HD2 PRO 39 -25.466 -8.929 7.736 329 2HD PRO 39 HD1 PRO 39 -23.977 -9.695 8.335 330 H TYR 40 HN TYR 40 -23.640 -6.344 4.929 331 HA TYR 40 HA TYR 40 -25.437 -5.966 2.704 332 1HB TYR 40 HB2 TYR 40 -26.257 -3.744 3.888 333 2HB TYR 40 HB1 TYR 40 -27.136 -5.255 4.009 334 HD1 TYR 40 HD2 TYR 40 -27.201 -6.483 6.106 335 HD2 TYR 40 HD1 TYR 40 -25.146 -2.770 5.805 336 HE1 TYR 40 HE2 TYR 40 -27.219 -6.285 8.555 337 HE2 TYR 40 HE1 TYR 40 -25.169 -2.557 8.253 338 HH TYR 40 HH TYR 40 -25.932 -5.138 10.313 339 H PHE 41 HN PHE 41 -22.583 -5.923 3.365 340 HA PHE 41 HA PHE 41 -21.967 -3.250 2.289 341 1HB PHE 41 HB2 PHE 41 -20.363 -4.976 4.187 342 2HB PHE 41 HB1 PHE 41 -19.674 -3.613 3.321 343 HD1 PHE 41 HD1 PHE 41 -22.443 -4.458 5.669 344 HD2 PHE 41 HD2 PHE 41 -19.669 -1.543 4.291 345 HE1 PHE 41 HE1 PHE 41 -23.108 -2.960 7.503 346 HE2 PHE 41 HE2 PHE 41 -20.332 -0.041 6.118 347 HZ PHE 41 HZ PHE 41 -22.054 -0.749 7.729 348 H ILE 42 HN ILE 42 -20.865 -3.261 0.344 349 HA ILE 42 HA ILE 42 -19.498 -5.743 -0.406 350 HB ILE 42 HB ILE 42 -20.185 -3.262 -1.951 351 1HG1 ILE 42 HG12 ILE 42 -20.436 -6.225 -2.518 352 2HG1 ILE 42 HG11 ILE 42 -21.727 -5.177 -1.951 353 1HG2 ILE 42 HG21 ILE 42 -18.074 -5.267 -2.757 354 2HG2 ILE 42 HG22 ILE 42 -17.810 -3.562 -2.387 355 3HG2 ILE 42 HG23 ILE 42 -18.751 -4.022 -3.805 356 1HD1 ILE 42 HD11 ILE 42 -21.910 -5.630 -4.334 357 2HD1 ILE 42 HD12 ILE 42 -20.307 -4.943 -4.596 358 3HD1 ILE 42 HD13 ILE 42 -21.627 -3.917 -4.033 359 H LEU 43 HN LEU 43 -17.535 -6.033 0.240 360 HA LEU 43 HA LEU 43 -15.988 -3.754 1.215 361 1HB LEU 43 HB2 LEU 43 -15.667 -6.717 1.705 362 2HB LEU 43 HB1 LEU 43 -14.716 -5.450 2.461 363 HG LEU 43 HG LEU 43 -17.705 -5.603 2.770 364 1HD1 LEU 43 HD11 LEU 43 -15.630 -6.774 4.611 365 2HD1 LEU 43 HD12 LEU 43 -16.713 -7.700 3.570 366 3HD1 LEU 43 HD13 LEU 43 -17.373 -6.723 4.882 367 1HD2 LEU 43 HD21 LEU 43 -17.258 -4.244 4.758 368 2HD2 LEU 43 HD22 LEU 43 -16.677 -3.461 3.288 369 3HD2 LEU 43 HD23 LEU 43 -15.537 -4.255 4.373 370 H THR 44 HN THR 44 -14.596 -2.959 -0.185 371 HA THR 44 HA THR 44 -13.369 -4.775 -2.148 372 HB THR 44 HB THR 44 -13.736 -1.779 -2.372 373 HG1 THR 44 HG1 THR 44 -15.299 -3.977 -3.280 374 1HG2 THR 44 HG21 THR 44 -12.949 -3.852 -4.428 375 2HG2 THR 44 HG22 THR 44 -11.871 -2.662 -3.700 376 3HG2 THR 44 HG23 THR 44 -13.195 -2.133 -4.738 377 H GLN 45 HN GLN 45 -11.262 -5.156 -1.881 378 HA GLN 45 HA GLN 45 -9.676 -3.348 -0.250 379 1HB GLN 45 HB2 GLN 45 -9.404 -5.755 0.127 380 2HB GLN 45 HB1 GLN 45 -8.936 -5.978 -1.554 381 1HG GLN 45 HG2 GLN 45 -6.909 -4.797 -1.243 382 2HG GLN 45 HG1 GLN 45 -7.415 -4.214 0.341 383 1HE2 GLN 45 HE21 GLN 45 -7.951 -7.508 -0.698 384 2HE2 GLN 45 HE22 GLN 45 -6.801 -8.225 0.372 385 H GLU 46 HN GLU 46 -8.729 -1.690 -1.141 386 HA GLU 46 HA GLU 46 -8.287 -1.684 -4.043 387 1HB GLU 46 HB2 GLU 46 -8.593 0.538 -2.021 388 2HB GLU 46 HB1 GLU 46 -8.092 0.821 -3.682 389 1HG GLU 46 HG2 GLU 46 -10.647 -0.607 -3.028 390 2HG GLU 46 HG1 GLU 46 -10.550 1.153 -3.098 391 H LEU 47 HN LEU 47 -6.330 -1.141 -4.912 392 HA LEU 47 HA LEU 47 -4.076 -0.972 -3.019 393 1HB LEU 47 HB2 LEU 47 -4.121 -2.221 -5.772 394 2HB LEU 47 HB1 LEU 47 -2.705 -2.074 -4.748 395 HG LEU 47 HG LEU 47 -5.161 -3.713 -4.107 396 1HD1 LEU 47 HD11 LEU 47 -2.394 -4.554 -4.956 397 2HD1 LEU 47 HD12 LEU 47 -3.860 -4.671 -5.928 398 3HD1 LEU 47 HD13 LEU 47 -3.696 -5.637 -4.461 399 1HD2 LEU 47 HD21 LEU 47 -4.109 -2.856 -2.094 400 2HD2 LEU 47 HD22 LEU 47 -2.536 -3.428 -2.650 401 3HD2 LEU 47 HD23 LEU 47 -3.805 -4.586 -2.254 402 H ASN 48 HN ASN 48 -2.394 0.452 -3.535 403 HA ASN 48 HA ASN 48 -3.213 2.562 -5.391 404 1HB ASN 48 HB2 ASN 48 -1.255 2.547 -3.093 405 2HB ASN 48 HB1 ASN 48 -1.371 3.885 -4.232 406 1HD2 ASN 48 HD21 ASN 48 -2.012 5.317 -2.629 407 2HD2 ASN 48 HD22 ASN 48 -3.594 5.264 -1.928 408 H ASN 49 HN ASN 49 -2.640 1.494 -7.272 409 HA ASN 49 HA ASN 49 0.225 1.097 -7.747 410 1HB ASN 49 HB2 ASN 49 -2.249 0.295 -9.276 411 2HB ASN 49 HB1 ASN 49 -0.652 0.248 -10.016 412 1HD2 ASN 49 HD21 ASN 49 0.840 -1.257 -9.328 413 2HD2 ASN 49 HD22 ASN 49 0.399 -2.629 -8.360 414 H GLN 50 HN GLN 50 -2.583 2.887 -8.853 415 HA GLN 50 HA GLN 50 -2.811 4.953 -9.744 416 1HB GLN 50 HB2 GLN 50 -0.341 5.105 -8.408 417 2HB GLN 50 HB1 GLN 50 -0.079 5.830 -9.988 418 1HG GLN 50 HG2 GLN 50 -2.146 6.628 -7.953 419 2HG GLN 50 HG1 GLN 50 -0.704 7.528 -8.415 420 1HE2 GLN 50 HE21 GLN 50 -0.613 8.466 -10.495 421 2HE2 GLN 50 HE22 GLN 50 -2.071 8.839 -11.363 422 H LYS 51 HN LYS 51 -2.643 6.068 -11.689 423 HA LYS 51 HA LYS 51 -0.815 5.270 -13.756 424 1HB LYS 51 HB2 LYS 51 -2.582 3.537 -13.977 425 2HB LYS 51 HB1 LYS 51 -3.787 4.807 -14.145 426 1HG LYS 51 HG2 LYS 51 -2.660 5.577 -16.190 427 2HG LYS 51 HG1 LYS 51 -1.506 4.252 -16.031 428 1HD LYS 51 HD2 LYS 51 -3.332 2.638 -16.212 429 2HD LYS 51 HD1 LYS 51 -4.491 3.961 -16.360 430 1HE LYS 51 HE2 LYS 51 -2.219 3.407 -18.266 431 2HE LYS 51 HE1 LYS 51 -3.903 2.959 -18.535 432 1HZ LYS 51 HZ1 LYS 51 -4.474 5.334 -18.418 433 2HZ LYS 51 HZ2 LYS 51 -3.413 4.985 -19.690 434 3HZ LYS 51 HZ3 LYS 51 -2.831 5.723 -18.280 435 H ASP 52 HN ASP 52 -0.440 6.995 -15.044 436 HA ASP 52 HA ASP 52 -0.461 9.137 -15.785 437 1HB ASP 52 HB2 ASP 52 -3.433 8.872 -15.297 438 2HB ASP 52 HB1 ASP 52 -2.701 10.336 -15.945 439 H ASP 53 HN ASP 53 0.806 10.007 -14.257 440 HA ASP 53 HA ASP 53 -0.355 10.600 -11.646 441 1HB ASP 53 HB2 ASP 53 2.548 10.497 -12.476 442 2HB ASP 53 HB1 ASP 53 1.953 10.725 -10.835 443 HA PRO 54 HA PRO 54 1.934 14.717 -12.436 444 1HB PRO 54 HB2 PRO 54 2.935 15.340 -14.850 445 2HB PRO 54 HB1 PRO 54 3.814 14.318 -13.706 446 1HG PRO 54 HG2 PRO 54 2.152 13.517 -16.070 447 2HG PRO 54 HG1 PRO 54 3.751 12.925 -15.576 448 1HD PRO 54 HD2 PRO 54 1.450 11.585 -15.039 449 2HD PRO 54 HD1 PRO 54 2.875 11.516 -13.984 450 H ILE 55 HN ILE 55 -0.827 14.115 -13.063 451 HA ILE 55 HA ILE 55 -1.719 16.680 -13.720 452 HB ILE 55 HB ILE 55 -0.919 15.989 -16.000 453 1HG1 ILE 55 HG12 ILE 55 -2.927 16.819 -17.179 454 2HG1 ILE 55 HG11 ILE 55 -3.871 16.579 -15.711 455 1HG2 ILE 55 HG21 ILE 55 -1.514 13.650 -15.965 456 2HG2 ILE 55 HG22 ILE 55 -2.324 14.454 -17.311 457 3HG2 ILE 55 HG23 ILE 55 -3.226 14.058 -15.847 458 1HD1 ILE 55 HD11 ILE 55 -3.257 18.907 -15.990 459 2HD1 ILE 55 HD12 ILE 55 -1.550 18.469 -16.034 460 3HD1 ILE 55 HD13 ILE 55 -2.486 18.227 -14.558 461 H ASN 56 HN ASN 56 -2.143 14.551 -11.853 462 HA ASN 56 HA ASN 56 -5.009 14.208 -12.009 463 1HB ASN 56 HB2 ASN 56 -4.319 12.283 -13.286 464 2HB ASN 56 HB1 ASN 56 -3.103 11.860 -12.090 465 1HD2 ASN 56 HD21 ASN 56 -3.968 9.801 -11.914 466 2HD2 ASN 56 HD22 ASN 56 -5.429 9.496 -11.044 467 H TYR 57 HN TYR 57 -5.131 15.384 -10.155 468 HA TYR 57 HA TYR 57 -4.275 14.044 -7.707 469 1HB TYR 57 HB2 TYR 57 -3.750 16.981 -8.234 470 2HB TYR 57 HB1 TYR 57 -3.401 16.118 -6.743 471 HD1 TYR 57 HD1 TYR 57 -2.351 16.693 -10.208 472 HD2 TYR 57 HD2 TYR 57 -1.462 14.673 -6.571 473 HE1 TYR 57 HE1 TYR 57 -0.088 16.205 -11.043 474 HE2 TYR 57 HE2 TYR 57 0.802 14.178 -7.392 475 HH TYR 57 HH TYR 57 1.979 13.965 -9.520 476 H THR 58 HN THR 58 -5.554 14.617 -5.886 477 HA THR 58 HA THR 58 -8.204 15.392 -6.345 478 HB THR 58 HB THR 58 -6.919 15.743 -3.672 479 HG1 THR 58 HG1 THR 58 -7.539 13.280 -3.676 480 1HG2 THR 58 HG21 THR 58 -9.042 14.761 -2.905 481 2HG2 THR 58 HG22 THR 58 -9.561 14.582 -4.582 482 3HG2 THR 58 HG23 THR 58 -9.318 16.190 -3.900 483 H GLU 59 HN GLU 59 -9.289 17.349 -6.096 484 HA GLU 59 HA GLU 59 -7.820 19.657 -6.691 485 1HB GLU 59 HB2 GLU 59 -9.845 20.893 -6.467 486 2HB GLU 59 HB1 GLU 59 -10.269 19.333 -7.149 487 1HG GLU 59 HG2 GLU 59 -11.811 19.153 -5.581 488 2HG GLU 59 HG1 GLU 59 -10.515 19.012 -4.392 489 H SER 60 HN SER 60 -8.909 18.279 -3.667 490 HA SER 60 HA SER 60 -8.055 20.416 -2.016 491 1HB SER 60 HB2 SER 60 -8.152 18.579 -0.223 492 2HB SER 60 HB1 SER 60 -9.652 18.945 -1.079 493 HG SER 60 HG SER 60 -8.655 16.608 -0.824 494 H GLU 61 HN GLU 61 -6.460 17.640 -3.482 495 HA GLU 61 HA GLU 61 -4.109 17.812 -1.832 496 1HB GLU 61 HB2 GLU 61 -4.635 16.512 -4.504 497 2HB GLU 61 HB1 GLU 61 -3.055 16.478 -3.733 498 1HG GLU 61 HG2 GLU 61 -5.600 15.379 -2.560 499 2HG GLU 61 HG1 GLU 61 -4.324 14.433 -3.326 500 H LEU 62 HN LEU 62 -5.182 19.252 -4.822 501 HA LEU 62 HA LEU 62 -2.653 20.519 -5.360 502 1HB LEU 62 HB2 LEU 62 -5.378 20.807 -6.619 503 2HB LEU 62 HB1 LEU 62 -3.951 21.662 -7.176 504 HG LEU 62 HG LEU 62 -4.166 18.653 -7.068 505 1HD1 LEU 62 HD11 LEU 62 -4.511 20.528 -9.398 506 2HD1 LEU 62 HD12 LEU 62 -5.754 19.503 -8.681 507 3HD1 LEU 62 HD13 LEU 62 -4.376 18.771 -9.512 508 1HD2 LEU 62 HD21 LEU 62 -2.179 18.720 -8.473 509 2HD2 LEU 62 HD22 LEU 62 -1.892 19.530 -6.932 510 3HD2 LEU 62 HD23 LEU 62 -2.170 20.482 -8.390 511 H LYS 63 HN LYS 63 -5.519 21.288 -3.586 512 HA LYS 63 HA LYS 63 -5.195 24.090 -3.395 513 1HB LYS 63 HB2 LYS 63 -6.375 22.097 -1.445 514 2HB LYS 63 HB1 LYS 63 -6.424 23.835 -1.200 515 1HG LYS 63 HG2 LYS 63 -7.618 22.449 -3.588 516 2HG LYS 63 HG1 LYS 63 -8.512 22.831 -2.118 517 1HD LYS 63 HD2 LYS 63 -8.066 25.206 -2.446 518 2HD LYS 63 HD1 LYS 63 -7.123 24.840 -3.893 519 1HE LYS 63 HE2 LYS 63 -9.423 25.600 -4.398 520 2HE LYS 63 HE1 LYS 63 -9.075 23.987 -5.013 521 1HZ LYS 63 HZ1 LYS 63 -10.479 24.485 -2.446 522 2HZ LYS 63 HZ2 LYS 63 -10.330 23.006 -3.275 523 3HZ LYS 63 HZ3 LYS 63 -11.284 24.250 -3.921 524 H GLY 64 HN GLY 64 -3.581 21.396 -1.932 525 1HA GLY 64 HA2 GLY 64 -2.171 23.127 -0.037 526 2HA GLY 64 HA1 GLY 64 -2.149 21.371 -0.045 527 H MET 65 HN MET 65 -1.734 23.029 -3.033 528 HA MET 65 HA MET 65 1.185 22.645 -2.876 529 1HB MET 65 HB2 MET 65 -0.636 22.236 -5.256 530 2HB MET 65 HB1 MET 65 1.117 22.279 -5.360 531 1HG MET 65 HG2 MET 65 1.218 20.331 -3.846 532 2HG MET 65 HG1 MET 65 -0.545 20.270 -3.858 533 1HE MET 65 HE1 MET 65 1.209 17.756 -4.603 534 2HE MET 65 HE2 MET 65 0.383 17.171 -6.048 535 3HE MET 65 HE3 MET 65 -0.553 17.754 -4.672 536 H ASN 66 HN ASN 66 2.461 24.245 -3.895 537 HA ASN 66 HA ASN 66 1.068 26.803 -4.070 538 1HB ASN 66 HB2 ASN 66 3.261 27.847 -3.888 539 2HB ASN 66 HB1 ASN 66 3.049 26.666 -2.600 540 1HD2 ASN 66 HD21 ASN 66 4.348 24.885 -2.526 541 2HD2 ASN 66 HD22 ASN 66 5.698 24.645 -3.583 542 H LYS 67 HN LYS 67 2.521 28.322 -5.646 543 HA LYS 67 HA LYS 67 1.509 27.888 -8.173 544 1HB LYS 67 HB2 LYS 67 2.216 30.063 -7.418 545 2HB LYS 67 HB1 LYS 67 3.882 29.527 -7.283 546 1HG LYS 67 HG2 LYS 67 4.055 29.330 -9.680 547 2HG LYS 67 HG1 LYS 67 2.344 29.729 -9.863 548 1HD LYS 67 HD2 LYS 67 2.712 31.938 -8.980 549 2HD LYS 67 HD1 LYS 67 4.389 31.551 -8.597 550 1HE LYS 67 HE2 LYS 67 3.259 31.516 -11.387 551 2HE LYS 67 HE1 LYS 67 4.046 32.919 -10.670 552 1HZ LYS 67 HZ1 LYS 67 5.297 30.255 -11.110 553 2HZ LYS 67 HZ2 LYS 67 6.053 31.589 -10.381 554 3HZ LYS 67 HZ3 LYS 67 5.591 31.665 -12.012 555 H ALA 68 HN ALA 68 4.730 27.056 -6.957 556 HA ALA 68 HA ALA 68 5.942 26.494 -9.412 557 1HB ALA 68 HB1 ALA 68 7.195 26.802 -7.345 558 2HB ALA 68 HB2 ALA 68 7.615 25.276 -8.124 559 3HB ALA 68 HB3 ALA 68 6.549 25.286 -6.719 560 H GLU 69 HN GLU 69 4.199 24.326 -7.193 561 HA GLU 69 HA GLU 69 4.665 21.960 -8.634 562 1HB GLU 69 HB2 GLU 69 2.663 22.794 -6.590 563 2HB GLU 69 HB1 GLU 69 2.348 21.328 -7.507 564 1HG GLU 69 HG2 GLU 69 3.446 20.792 -5.432 565 2HG GLU 69 HG1 GLU 69 4.505 20.421 -6.790 566 H HIS 70 HN HIS 70 1.880 24.167 -8.710 567 HA HIS 70 HA HIS 70 0.348 22.953 -10.642 568 1HB HIS 70 HB2 HIS 70 0.820 25.887 -10.118 569 2HB HIS 70 HB1 HIS 70 -0.374 25.306 -11.274 570 HD1 HIS 70 HD1 HIS 70 -2.335 23.828 -10.245 571 HD2 HIS 70 HD2 HIS 70 -0.011 25.912 -7.506 572 HE1 HIS 70 HE1 HIS 70 -3.665 23.869 -8.131 573 HE2 HIS 70 HE2 HIS 70 -2.320 25.269 -6.522 574 H GLU 71 HN GLU 71 3.048 25.189 -11.119 575 HA GLU 71 HA GLU 71 2.881 25.258 -13.930 576 1HB GLU 71 HB2 GLU 71 5.281 25.737 -12.151 577 2HB GLU 71 HB1 GLU 71 5.151 26.201 -13.844 578 1HG GLU 71 HG2 GLU 71 3.319 27.702 -13.315 579 2HG GLU 71 HG1 GLU 71 3.395 27.218 -11.621 580 H SER 72 HN SER 72 4.974 23.376 -11.756 581 HA SER 72 HA SER 72 6.404 21.990 -13.704 582 1HB SER 72 HB2 SER 72 7.062 22.007 -11.356 583 2HB SER 72 HB1 SER 72 5.607 21.113 -10.917 584 HG SER 72 HG SER 72 7.854 20.226 -12.397 585 H ILE 73 HN ILE 73 3.436 21.022 -12.006 586 HA ILE 73 HA ILE 73 3.085 18.489 -13.048 587 HB ILE 73 HB ILE 73 0.978 20.529 -12.318 588 1HG1 ILE 73 HG12 ILE 73 2.031 18.180 -10.731 589 2HG1 ILE 73 HG11 ILE 73 2.585 19.839 -10.524 590 1HG2 ILE 73 HG21 ILE 73 -0.565 18.639 -12.094 591 2HG2 ILE 73 HG22 ILE 73 0.673 17.558 -12.731 592 3HG2 ILE 73 HG23 ILE 73 0.002 18.830 -13.752 593 1HD1 ILE 73 HD11 ILE 73 0.956 19.246 -8.830 594 2HD1 ILE 73 HD12 ILE 73 -0.220 18.840 -10.079 595 3HD1 ILE 73 HD13 ILE 73 0.317 20.509 -9.882 596 H ILE 74 HN ILE 74 1.586 21.491 -14.309 597 HA ILE 74 HA ILE 74 0.422 19.974 -16.450 598 HB ILE 74 HB ILE 74 0.369 22.963 -16.447 599 1HG1 ILE 74 HG12 ILE 74 -1.226 21.157 -14.605 600 2HG1 ILE 74 HG11 ILE 74 -0.029 22.348 -14.103 601 1HG2 ILE 74 HG21 ILE 74 -1.660 20.813 -17.065 602 2HG2 ILE 74 HG22 ILE 74 -0.701 21.701 -18.251 603 3HG2 ILE 74 HG23 ILE 74 -1.902 22.547 -17.274 604 1HD1 ILE 74 HD11 ILE 74 -2.275 23.176 -13.754 605 2HD1 ILE 74 HD12 ILE 74 -2.653 22.928 -15.458 606 3HD1 ILE 74 HD13 ILE 74 -1.451 24.125 -14.988 607 H SER 75 HN SER 75 3.344 21.788 -16.062 608 HA SER 75 HA SER 75 3.869 22.191 -18.832 609 1HB SER 75 HB2 SER 75 5.808 21.883 -16.521 610 2HB SER 75 HB1 SER 75 6.246 22.417 -18.143 611 HG SER 75 HG SER 75 4.692 23.727 -16.188 612 H ASN 76 HN ASN 76 4.234 19.520 -16.613 613 HA ASN 76 HA ASN 76 5.720 17.851 -18.391 614 1HB ASN 76 HB2 ASN 76 4.265 17.433 -15.818 615 2HB ASN 76 HB1 ASN 76 4.640 16.022 -16.802 616 1HD2 ASN 76 HD21 ASN 76 5.924 18.578 -14.841 617 2HD2 ASN 76 HD22 ASN 76 7.538 17.952 -14.729 618 H LEU 77 HN LEU 77 2.312 18.426 -17.756 619 HA LEU 77 HA LEU 77 1.298 16.386 -19.442 620 1HB LEU 77 HB2 LEU 77 -0.139 17.569 -17.870 621 2HB LEU 77 HB1 LEU 77 0.135 19.079 -18.715 622 HG LEU 77 HG LEU 77 -0.971 18.038 -20.731 623 1HD1 LEU 77 HD11 LEU 77 -0.713 15.703 -20.117 624 2HD1 LEU 77 HD12 LEU 77 -2.416 16.105 -20.340 625 3HD1 LEU 77 HD13 LEU 77 -1.754 15.941 -18.714 626 1HD2 LEU 77 HD21 LEU 77 -3.245 18.356 -19.849 627 2HD2 LEU 77 HD22 LEU 77 -2.139 19.630 -19.335 628 3HD2 LEU 77 HD23 LEU 77 -2.594 18.351 -18.210 629 H GLY 78 HN GLY 78 2.342 19.703 -20.049 630 1HA GLY 78 HA2 GLY 78 3.412 19.730 -22.417 631 2HA GLY 78 HA1 GLY 78 1.763 19.376 -22.912 632 H ARG 79 HN ARG 79 0.097 20.932 -22.025 633 HA ARG 79 HA ARG 79 0.934 23.623 -22.623 634 1HB ARG 79 HB2 ARG 79 -1.202 22.949 -23.476 635 2HB ARG 79 HB1 ARG 79 -1.732 22.409 -21.890 636 1HG ARG 79 HG2 ARG 79 -1.776 24.698 -21.092 637 2HG ARG 79 HG1 ARG 79 -1.164 25.272 -22.645 638 1HD ARG 79 HD2 ARG 79 -3.745 23.755 -22.298 639 2HD ARG 79 HD1 ARG 79 -3.635 25.516 -22.345 640 HE ARG 79 HE ARG 79 -2.420 24.891 -24.620 641 1HH1 ARG 79 HH11 ARG 79 -5.376 23.588 -23.266 642 2HH1 ARG 79 HH12 ARG 79 -6.112 23.312 -24.817 643 1HH2 ARG 79 HH21 ARG 79 -3.370 24.534 -26.637 644 2HH2 ARG 79 HH22 ARG 79 -4.963 23.848 -26.739 645 H ASN 80 HN ASN 80 2.082 24.595 -21.064 646 HA ASN 80 HA ASN 80 1.731 24.034 -18.296 647 1HB ASN 80 HB2 ASN 80 3.446 25.691 -17.907 648 2HB ASN 80 HB1 ASN 80 3.905 24.703 -19.287 649 1HD2 ASN 80 HD21 ASN 80 4.769 27.353 -18.506 650 2HD2 ASN 80 HD22 ASN 80 4.429 28.390 -19.859 651 HA PRO 81 HA PRO 81 -1.400 26.846 -17.132 652 1HB PRO 81 HB2 PRO 81 -0.672 27.544 -14.629 653 2HB PRO 81 HB1 PRO 81 -1.236 25.925 -15.040 654 1HG PRO 81 HG2 PRO 81 1.560 26.920 -14.676 655 2HG PRO 81 HG1 PRO 81 0.829 25.409 -14.105 656 1HD PRO 81 HD2 PRO 81 2.400 25.548 -16.318 657 2HD PRO 81 HD1 PRO 81 1.083 24.371 -16.139 658 H SER 82 HN SER 82 0.791 28.171 -18.620 659 HA SER 82 HA SER 82 1.167 30.706 -17.294 660 1HB SER 82 HB2 SER 82 2.823 29.724 -18.926 661 2HB SER 82 HB1 SER 82 1.656 30.042 -20.208 662 HG SER 82 HG SER 82 2.590 31.925 -20.270 663 H ASP 83 HN ASP 83 -1.009 29.255 -19.579 664 HA ASP 83 HA ASP 83 -2.292 31.650 -20.431 665 1HB ASP 83 HB2 ASP 83 -3.100 28.744 -20.514 666 2HB ASP 83 HB1 ASP 83 -4.146 30.028 -21.113 667 H PHE 84 HN PHE 84 -2.843 29.341 -17.852 668 HA PHE 84 HA PHE 84 -5.298 30.666 -17.041 669 1HB PHE 84 HB2 PHE 84 -3.850 28.325 -15.779 670 2HB PHE 84 HB1 PHE 84 -5.477 28.878 -15.387 671 HD1 PHE 84 HD2 PHE 84 -7.304 28.605 -17.022 672 HD2 PHE 84 HD1 PHE 84 -3.430 26.970 -17.679 673 HE1 PHE 84 HE2 PHE 84 -8.225 27.142 -18.774 674 HE2 PHE 84 HE1 PHE 84 -4.339 25.505 -19.434 675 HZ PHE 84 HZ PHE 84 -6.741 25.590 -19.983 676 H LYS 85 HN LYS 85 -5.112 32.475 -15.902 677 HA LYS 85 HA LYS 85 -2.632 33.217 -14.703 678 1HB LYS 85 HB2 LYS 85 -5.303 34.588 -14.402 679 2HB LYS 85 HB1 LYS 85 -3.717 35.297 -14.143 680 1HG LYS 85 HG2 LYS 85 -4.862 34.377 -16.771 681 2HG LYS 85 HG1 LYS 85 -4.629 36.044 -16.245 682 1HD LYS 85 HD2 LYS 85 -2.203 35.663 -16.156 683 2HD LYS 85 HD1 LYS 85 -2.451 34.007 -16.712 684 1HE LYS 85 HE2 LYS 85 -3.155 36.521 -18.227 685 2HE LYS 85 HE1 LYS 85 -1.782 35.466 -18.551 686 1HZ LYS 85 HZ1 LYS 85 -3.345 33.674 -19.056 687 2HZ LYS 85 HZ2 LYS 85 -3.585 35.008 -20.071 688 3HZ LYS 85 HZ3 LYS 85 -4.651 34.718 -18.787 689 H ASN 86 HN ASN 86 -5.877 32.899 -13.269 690 HA ASN 86 HA ASN 86 -4.853 33.022 -10.615 691 1HB ASN 86 HB2 ASN 86 -7.122 33.818 -11.266 692 2HB ASN 86 HB1 ASN 86 -7.599 32.145 -11.533 693 1HD2 ASN 86 HD21 ASN 86 -9.225 32.383 -9.956 694 2HD2 ASN 86 HD22 ASN 86 -8.840 32.366 -8.263 695 H ALA 87 HN ALA 87 -4.904 31.398 -9.013 696 HA ALA 87 HA ALA 87 -3.746 28.974 -9.811 697 1HB ALA 87 HB1 ALA 87 -3.902 28.323 -7.467 698 2HB ALA 87 HB2 ALA 87 -5.020 29.654 -7.161 699 3HB ALA 87 HB3 ALA 87 -3.350 29.991 -7.624 700 H ASP 88 HN ASP 88 -7.061 29.794 -8.965 701 HA ASP 88 HA ASP 88 -8.091 27.206 -8.716 702 1HB ASP 88 HB2 ASP 88 -9.479 29.720 -9.664 703 2HB ASP 88 HB1 ASP 88 -10.300 28.230 -9.219 704 H GLU 89 HN GLU 89 -7.659 29.255 -11.552 705 HA GLU 89 HA GLU 89 -8.976 27.626 -13.432 706 1HB GLU 89 HB2 GLU 89 -6.681 29.568 -13.752 707 2HB GLU 89 HB1 GLU 89 -7.514 28.812 -15.103 708 1HG GLU 89 HG2 GLU 89 -8.895 30.506 -13.040 709 2HG GLU 89 HG1 GLU 89 -8.245 31.138 -14.551 710 H ARG 90 HN ARG 90 -5.691 27.657 -12.199 711 HA ARG 90 HA ARG 90 -4.650 25.705 -13.979 712 1HB ARG 90 HB2 ARG 90 -3.639 26.330 -11.200 713 2HB ARG 90 HB1 ARG 90 -2.725 25.657 -12.543 714 1HG ARG 90 HG2 ARG 90 -2.921 27.745 -13.760 715 2HG ARG 90 HG1 ARG 90 -3.910 28.424 -12.467 716 1HD ARG 90 HD2 ARG 90 -1.957 28.009 -10.921 717 2HD ARG 90 HD1 ARG 90 -1.002 27.650 -12.362 718 HE ARG 90 HE ARG 90 -2.392 30.231 -12.100 719 1HH1 ARG 90 HH11 ARG 90 0.603 28.448 -12.517 720 2HH1 ARG 90 HH12 ARG 90 1.536 29.863 -12.888 721 1HH2 ARG 90 HH21 ARG 90 -1.165 32.073 -12.534 722 2HH2 ARG 90 HH22 ARG 90 0.539 31.935 -12.862 723 H ILE 91 HN ILE 91 -6.128 25.588 -10.780 724 HA ILE 91 HA ILE 91 -5.779 22.820 -10.312 725 HB ILE 91 HB ILE 91 -7.941 24.678 -9.291 726 1HG1 ILE 91 HG12 ILE 91 -5.366 23.763 -7.993 727 2HG1 ILE 91 HG11 ILE 91 -5.631 25.352 -8.700 728 1HG2 ILE 91 HG21 ILE 91 -8.261 23.026 -7.506 729 2HG2 ILE 91 HG22 ILE 91 -7.105 21.956 -8.297 730 3HG2 ILE 91 HG23 ILE 91 -8.627 22.354 -9.095 731 1HD1 ILE 91 HD11 ILE 91 -5.829 25.433 -6.290 732 2HD1 ILE 91 HD12 ILE 91 -7.087 24.198 -6.332 733 3HD1 ILE 91 HD13 ILE 91 -7.383 25.784 -7.046 734 H ALA 92 HN ALA 92 -8.405 24.706 -11.755 735 HA ALA 92 HA ALA 92 -10.218 22.619 -12.176 736 1HB ALA 92 HB1 ALA 92 -9.866 25.116 -13.830 737 2HB ALA 92 HB2 ALA 92 -10.797 24.999 -12.337 738 3HB ALA 92 HB3 ALA 92 -11.305 24.098 -13.765 739 H TYR 93 HN TYR 93 -7.577 23.823 -14.204 740 HA TYR 93 HA TYR 93 -8.220 22.258 -16.469 741 1HB TYR 93 HB2 TYR 93 -6.724 24.267 -16.488 742 2HB TYR 93 HB1 TYR 93 -5.485 23.293 -15.703 743 HD1 TYR 93 HD2 TYR 93 -7.659 23.328 -18.735 744 HD2 TYR 93 HD1 TYR 93 -3.957 22.126 -17.017 745 HE1 TYR 93 HE2 TYR 93 -6.900 22.540 -20.936 746 HE2 TYR 93 HE1 TYR 93 -3.189 21.335 -19.216 747 HH TYR 93 HH TYR 93 -4.157 20.589 -21.353 748 H ILE 94 HN ILE 94 -6.185 21.666 -13.645 749 HA ILE 94 HA ILE 94 -5.166 19.173 -14.590 750 HB ILE 94 HB ILE 94 -5.388 20.151 -11.731 751 1HG1 ILE 94 HG12 ILE 94 -3.043 20.273 -13.643 752 2HG1 ILE 94 HG11 ILE 94 -4.056 21.645 -13.210 753 1HG2 ILE 94 HG21 ILE 94 -3.618 18.509 -11.271 754 2HG2 ILE 94 HG22 ILE 94 -3.712 17.954 -12.942 755 3HG2 ILE 94 HG23 ILE 94 -5.090 17.742 -11.864 756 1HD1 ILE 94 HD11 ILE 94 -2.281 20.079 -11.344 757 2HD1 ILE 94 HD12 ILE 94 -3.323 21.418 -10.872 758 3HD1 ILE 94 HD13 ILE 94 -1.973 21.698 -11.971 759 H LEU 95 HN LEU 95 -7.826 20.089 -12.427 760 HA LEU 95 HA LEU 95 -8.595 17.455 -11.761 761 1HB LEU 95 HB2 LEU 95 -9.747 20.152 -11.452 762 2HB LEU 95 HB1 LEU 95 -10.902 18.833 -11.450 763 HG LEU 95 HG LEU 95 -10.216 19.452 -9.180 764 1HD1 LEU 95 HD11 LEU 95 -9.230 16.736 -10.042 765 2HD1 LEU 95 HD12 LEU 95 -10.891 17.157 -9.626 766 3HD1 LEU 95 HD13 LEU 95 -9.631 17.212 -8.392 767 1HD2 LEU 95 HD21 LEU 95 -7.943 18.995 -8.415 768 2HD2 LEU 95 HD22 LEU 95 -7.963 20.232 -9.672 769 3HD2 LEU 95 HD23 LEU 95 -7.468 18.584 -10.063 770 H LYS 96 HN LYS 96 -9.809 19.686 -14.268 771 HA LYS 96 HA LYS 96 -11.736 17.726 -15.137 772 1HB LYS 96 HB2 LYS 96 -12.022 20.256 -15.321 773 2HB LYS 96 HB1 LYS 96 -10.921 20.173 -16.693 774 1HG LYS 96 HG2 LYS 96 -12.454 18.550 -17.764 775 2HG LYS 96 HG1 LYS 96 -13.580 18.787 -16.428 776 1HD LYS 96 HD2 LYS 96 -13.694 21.185 -16.999 777 2HD LYS 96 HD1 LYS 96 -12.635 20.881 -18.378 778 1HE LYS 96 HE2 LYS 96 -15.387 19.743 -17.913 779 2HE LYS 96 HE1 LYS 96 -14.922 20.930 -19.132 780 1HZ LYS 96 HZ1 LYS 96 -14.213 18.049 -19.020 781 2HZ LYS 96 HZ2 LYS 96 -13.378 19.148 -20.002 782 3HZ LYS 96 HZ3 LYS 96 -15.029 18.890 -20.247 783 H GLN 97 HN GLN 97 -8.449 18.048 -15.547 784 HA GLN 97 HA GLN 97 -8.231 17.069 -18.218 785 1HB GLN 97 HB2 GLN 97 -6.402 18.139 -16.665 786 2HB GLN 97 HB1 GLN 97 -6.170 16.480 -16.124 787 1HG GLN 97 HG2 GLN 97 -4.597 16.982 -17.865 788 2HG GLN 97 HG1 GLN 97 -5.770 15.805 -18.458 789 1HE2 GLN 97 HE21 GLN 97 -6.497 19.197 -18.063 790 2HE2 GLN 97 HE22 GLN 97 -6.615 19.562 -19.750 791 H ILE 98 HN ILE 98 -8.612 15.692 -15.045 792 HA ILE 98 HA ILE 98 -8.316 12.963 -15.715 793 HB ILE 98 HB ILE 98 -10.121 14.135 -13.584 794 1HG1 ILE 98 HG12 ILE 98 -7.201 13.378 -13.312 795 2HG1 ILE 98 HG11 ILE 98 -7.768 15.031 -13.526 796 1HG2 ILE 98 HG21 ILE 98 -9.698 12.032 -12.409 797 2HG2 ILE 98 HG22 ILE 98 -8.714 11.473 -13.762 798 3HG2 ILE 98 HG23 ILE 98 -10.441 11.749 -13.984 799 1HD1 ILE 98 HD11 ILE 98 -7.284 14.531 -11.194 800 2HD1 ILE 98 HD12 ILE 98 -8.471 13.226 -11.223 801 3HD1 ILE 98 HD13 ILE 98 -8.992 14.898 -11.433 802 H ASP 99 HN ASP 99 -10.833 15.283 -16.152 803 HA ASP 99 HA ASP 99 -12.936 13.404 -16.700 804 1HB ASP 99 HB2 ASP 99 -13.569 15.531 -15.808 805 2HB ASP 99 HB1 ASP 99 -12.674 16.392 -17.053 806 H ASN 100 HN ASN 100 -10.728 15.395 -18.609 807 HA ASN 100 HA ASN 100 -11.925 14.609 -21.117 808 1HB ASN 100 HB2 ASN 100 -9.387 16.150 -20.535 809 2HB ASN 100 HB1 ASN 100 -10.064 15.902 -22.138 810 1HD2 ASN 100 HD21 ASN 100 -9.525 18.368 -20.738 811 2HD2 ASN 100 HD22 ASN 100 -11.027 19.217 -20.649 812 H LYS 101 HN LYS 101 -8.969 13.848 -19.325 813 HA LYS 101 HA LYS 101 -7.964 12.189 -21.492 814 1HB LYS 101 HB2 LYS 101 -6.577 13.756 -19.999 815 2HB LYS 101 HB1 LYS 101 -6.739 12.525 -18.757 816 1HG LYS 101 HG2 LYS 101 -5.621 10.909 -20.216 817 2HG LYS 101 HG1 LYS 101 -5.454 12.156 -21.457 818 1HD LYS 101 HD2 LYS 101 -4.217 13.528 -19.729 819 2HD LYS 101 HD1 LYS 101 -4.189 12.081 -18.722 820 1HE LYS 101 HE2 LYS 101 -3.038 12.305 -21.501 821 2HE LYS 101 HE1 LYS 101 -2.111 12.390 -20.006 822 1HZ LYS 101 HZ1 LYS 101 -1.992 10.194 -20.979 823 2HZ LYS 101 HZ2 LYS 101 -3.680 10.047 -20.952 824 3HZ LYS 101 HZ3 LYS 101 -2.809 10.123 -19.494 825 H GLY 102 HN GLY 102 -9.908 11.822 -18.745 826 1HA GLY 102 HA2 GLY 102 -9.222 9.016 -18.340 827 2HA GLY 102 HA1 GLY 102 -10.395 9.946 -17.415 828 H GLU 103 HN GLU 103 -12.506 9.772 -17.912 829 HA GLU 103 HA GLU 103 -13.185 8.137 -20.251 830 1HB GLU 103 HB2 GLU 103 -14.860 8.857 -17.840 831 2HB GLU 103 HB1 GLU 103 -15.384 7.838 -19.173 832 1HG GLU 103 HG2 GLU 103 -13.518 6.277 -18.601 833 2HG GLU 103 HG1 GLU 103 -13.229 7.254 -17.162 834 H LEU 104 HN LEU 104 -13.185 9.647 -21.893 835 HA LEU 104 HA LEU 104 -14.709 12.076 -21.679 836 1HB LEU 104 HB2 LEU 104 -12.783 11.935 -23.196 837 2HB LEU 104 HB1 LEU 104 -13.587 10.671 -24.110 838 HG LEU 104 HG LEU 104 -15.414 12.352 -24.613 839 1HD1 LEU 104 HD11 LEU 104 -14.824 14.717 -24.413 840 2HD1 LEU 104 HD12 LEU 104 -13.356 14.275 -23.539 841 3HD1 LEU 104 HD13 LEU 104 -14.938 13.936 -22.835 842 1HD2 LEU 104 HD21 LEU 104 -13.735 11.718 -26.257 843 2HD2 LEU 104 HD22 LEU 104 -12.636 12.940 -25.621 844 3HD2 LEU 104 HD23 LEU 104 -14.143 13.427 -26.398 845 H GLU 105 HN GLU 105 -15.046 9.462 -24.038 846 HA GLU 105 HA GLU 105 -16.784 8.287 -24.827 847 1HB GLU 105 HB2 GLU 105 -17.772 8.911 -22.072 848 2HB GLU 105 HB1 GLU 105 -18.797 8.053 -23.217 849 1HG GLU 105 HG2 GLU 105 -16.082 7.198 -22.242 850 2HG GLU 105 HG1 GLU 105 -17.636 6.466 -21.835 851 H HIS 106 HN HIS 106 -19.375 8.435 -25.007 852 HA HIS 106 HA HIS 106 -19.834 11.124 -26.118 853 1HB HIS 106 HB2 HIS 106 -19.477 9.324 -27.816 854 2HB HIS 106 HB1 HIS 106 -20.887 8.490 -27.177 855 HD1 HIS 106 HD1 HIS 106 -22.701 8.754 -28.833 856 HD2 HIS 106 HD2 HIS 106 -20.518 12.261 -28.348 857 HE1 HIS 106 HE1 HIS 106 -23.846 10.471 -30.265 858 HE2 HIS 106 HE2 HIS 106 -22.369 12.508 -30.140 859 H HIS 107 HN HIS 107 -20.932 8.761 -23.936 860 HA HIS 107 HA HIS 107 -23.702 9.544 -24.005 861 1HB HIS 107 HB2 HIS 107 -22.996 7.255 -23.322 862 2HB HIS 107 HB1 HIS 107 -22.256 7.944 -21.881 863 HD1 HIS 107 HD1 HIS 107 -25.504 6.873 -23.292 864 HD2 HIS 107 HD2 HIS 107 -24.127 8.953 -19.968 865 HE1 HIS 107 HE1 HIS 107 -27.459 7.020 -21.721 866 HE2 HIS 107 HE2 HIS 107 -26.679 8.575 -19.902 867 H HIS 108 HN HIS 108 -23.344 11.818 -23.800 868 HA HIS 108 HA HIS 108 -24.186 12.718 -21.320 869 1HB HIS 108 HB2 HIS 108 -22.265 14.248 -20.709 870 2HB HIS 108 HB1 HIS 108 -22.016 12.543 -20.375 871 HD1 HIS 108 HD1 HIS 108 -20.781 15.345 -22.554 872 HD2 HIS 108 HD2 HIS 108 -19.956 11.334 -21.806 873 HE1 HIS 108 HE1 HIS 108 -18.542 14.900 -23.606 874 HE2 HIS 108 HE2 HIS 108 -17.996 12.515 -22.999 875 H HIS 109 HN HIS 109 -25.491 13.201 -23.333 876 HA HIS 109 HA HIS 109 -24.899 15.989 -24.073 877 1HB HIS 109 HB2 HIS 109 -24.566 14.330 -25.969 878 2HB HIS 109 HB1 HIS 109 -26.296 14.018 -25.892 879 HD1 HIS 109 HD1 HIS 109 -23.915 16.923 -26.516 880 HD2 HIS 109 HD2 HIS 109 -27.802 15.719 -27.390 881 HE1 HIS 109 HE1 HIS 109 -24.824 18.650 -28.099 882 HE2 HIS 109 HE2 HIS 109 -27.240 18.018 -28.427 883 H HIS 110 HN HIS 110 -26.558 14.403 -22.073 884 HA HIS 110 HA HIS 110 -28.661 16.172 -21.737 885 1HB HIS 110 HB2 HIS 110 -30.637 14.755 -22.222 886 2HB HIS 110 HB1 HIS 110 -29.752 15.182 -23.676 887 HD1 HIS 110 HD1 HIS 110 -28.946 13.302 -25.133 888 HD2 HIS 110 HD2 HIS 110 -30.380 11.988 -21.455 889 HE1 HIS 110 HE1 HIS 110 -29.046 10.795 -25.299 890 HE2 HIS 110 HE2 HIS 110 -30.167 10.056 -23.166 891 H HIS 111 HN HIS 111 -27.484 12.915 -21.338 892 HA HIS 111 HA HIS 111 -27.065 13.110 -18.613 893 1HB HIS 111 HB2 HIS 111 -29.551 13.042 -18.440 894 2HB HIS 111 HB1 HIS 111 -29.541 11.484 -19.263 895 HD1 HIS 111 HD1 HIS 111 -29.019 9.428 -17.883 896 HD2 HIS 111 HD2 HIS 111 -28.443 12.980 -15.793 897 HE1 HIS 111 HE1 HIS 111 -28.637 8.752 -15.490 898 HE2 HIS 111 HE2 HIS 111 -28.434 10.920 -14.222 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -5.601 -2.023 -0.187 2 2H MET 1 HT2 MET 1 -5.220 -0.400 -0.489 3 3H MET 1 HT3 MET 1 -6.738 -1.006 -0.928 4 HA MET 1 HA MET 1 -5.729 -0.753 1.848 5 1HB MET 1 HB2 MET 1 -6.755 1.198 0.113 6 2HB MET 1 HB1 MET 1 -8.115 0.746 1.128 7 1HG MET 1 HG2 MET 1 -5.428 1.611 2.165 8 2HG MET 1 HG1 MET 1 -6.816 2.676 1.967 9 1HE MET 1 HE1 MET 1 -6.560 2.290 5.848 10 2HE MET 1 HE2 MET 1 -6.670 3.427 4.505 11 3HE MET 1 HE3 MET 1 -5.244 2.403 4.679 12 H PHE 2 HN PHE 2 -8.313 -0.373 2.891 13 HA PHE 2 HA PHE 2 -9.821 -2.747 2.025 14 1HB PHE 2 HB2 PHE 2 -9.381 -1.825 4.880 15 2HB PHE 2 HB1 PHE 2 -10.484 -3.108 4.399 16 HD1 PHE 2 HD1 PHE 2 -9.452 -5.111 3.144 17 HD2 PHE 2 HD2 PHE 2 -7.184 -2.317 5.413 18 HE1 PHE 2 HE1 PHE 2 -7.625 -6.750 3.330 19 HE2 PHE 2 HE2 PHE 2 -5.353 -3.949 5.602 20 HZ PHE 2 HZ PHE 2 -5.570 -6.169 4.559 21 H THR 3 HN THR 3 -11.535 -1.871 1.016 22 HA THR 3 HA THR 3 -12.724 0.551 2.213 23 HB THR 3 HB THR 3 -13.694 1.025 -0.003 24 HG1 THR 3 HG1 THR 3 -12.165 -1.247 -0.828 25 1HG2 THR 3 HG21 THR 3 -11.525 1.994 0.591 26 2HG2 THR 3 HG22 THR 3 -11.623 1.653 -1.137 27 3HG2 THR 3 HG23 THR 3 -10.709 0.580 -0.077 28 H ALA 4 HN ALA 4 -14.905 0.673 2.611 29 HA ALA 4 HA ALA 4 -16.503 -1.732 2.025 30 1HB ALA 4 HB1 ALA 4 -15.873 -1.699 4.403 31 2HB ALA 4 HB2 ALA 4 -17.613 -1.525 4.175 32 3HB ALA 4 HB3 ALA 4 -16.629 -0.115 4.571 33 H LYS 5 HN LYS 5 -18.545 -1.380 1.274 34 HA LYS 5 HA LYS 5 -19.629 1.342 1.332 35 1HB LYS 5 HB2 LYS 5 -18.462 1.229 -0.787 36 2HB LYS 5 HB1 LYS 5 -19.216 -0.311 -1.168 37 1HG LYS 5 HG2 LYS 5 -21.355 0.727 -1.434 38 2HG LYS 5 HG1 LYS 5 -20.737 2.265 -0.828 39 1HD LYS 5 HD2 LYS 5 -20.889 2.361 -3.236 40 2HD LYS 5 HD1 LYS 5 -19.192 2.366 -2.754 41 1HE LYS 5 HE2 LYS 5 -19.327 0.893 -4.584 42 2HE LYS 5 HE1 LYS 5 -19.217 -0.134 -3.157 43 1HZ LYS 5 HZ1 LYS 5 -20.891 -0.955 -4.683 44 2HZ LYS 5 HZ2 LYS 5 -21.706 0.531 -4.645 45 3HZ LYS 5 HZ3 LYS 5 -21.632 -0.426 -3.252 46 H LEU 6 HN LEU 6 -21.788 1.383 1.680 47 HA LEU 6 HA LEU 6 -23.239 -0.945 2.287 48 1HB LEU 6 HB2 LEU 6 -23.960 1.912 1.857 49 2HB LEU 6 HB1 LEU 6 -25.253 0.734 1.800 50 HG LEU 6 HG LEU 6 -25.151 1.673 4.003 51 1HD1 LEU 6 HD11 LEU 6 -25.729 -0.670 3.899 52 2HD1 LEU 6 HD12 LEU 6 -24.787 -0.347 5.354 53 3HD1 LEU 6 HD13 LEU 6 -24.025 -1.121 3.964 54 1HD2 LEU 6 HD21 LEU 6 -23.176 1.475 5.411 55 2HD2 LEU 6 HD22 LEU 6 -22.853 2.442 3.972 56 3HD2 LEU 6 HD23 LEU 6 -22.282 0.776 4.061 57 H ILE 7 HN ILE 7 -24.069 -2.422 1.002 58 HA ILE 7 HA ILE 7 -24.700 -1.693 -1.766 59 HB ILE 7 HB ILE 7 -24.973 -4.175 -2.089 60 1HG1 ILE 7 HG12 ILE 7 -23.695 -4.265 0.641 61 2HG1 ILE 7 HG11 ILE 7 -25.316 -4.825 0.239 62 1HG2 ILE 7 HG21 ILE 7 -22.579 -4.589 -2.211 63 2HG2 ILE 7 HG22 ILE 7 -22.293 -3.163 -1.214 64 3HG2 ILE 7 HG23 ILE 7 -23.010 -2.991 -2.817 65 1HD1 ILE 7 HD11 ILE 7 -24.375 -6.555 -1.187 66 2HD1 ILE 7 HD12 ILE 7 -23.744 -6.673 0.456 67 3HD1 ILE 7 HD13 ILE 7 -22.747 -5.979 -0.825 68 H LYS 8 HN LYS 8 -26.097 -2.583 1.250 69 HA LYS 8 HA LYS 8 -28.739 -1.993 0.110 70 1HB LYS 8 HB2 LYS 8 -28.104 -4.123 2.163 71 2HB LYS 8 HB1 LYS 8 -29.723 -3.508 1.885 72 1HG LYS 8 HG2 LYS 8 -29.733 -5.434 0.645 73 2HG LYS 8 HG1 LYS 8 -29.290 -4.238 -0.574 74 1HD LYS 8 HD2 LYS 8 -26.992 -4.859 -0.457 75 2HD LYS 8 HD1 LYS 8 -27.277 -5.868 0.963 76 1HE LYS 8 HE2 LYS 8 -27.034 -7.231 -1.034 77 2HE LYS 8 HE1 LYS 8 -28.663 -7.367 -0.378 78 1HZ LYS 8 HZ1 LYS 8 -29.454 -5.850 -2.063 79 2HZ LYS 8 HZ2 LYS 8 -28.644 -7.147 -2.795 80 3HZ LYS 8 HZ3 LYS 8 -27.880 -5.637 -2.665 81 H GLY 9 HN GLY 9 -29.529 -0.194 1.046 82 1HA GLY 9 HA2 GLY 9 -30.204 0.465 3.452 83 2HA GLY 9 HA1 GLY 9 -28.466 0.561 3.679 84 H LYS 10 HN LYS 10 -28.070 2.654 3.933 85 HA LYS 10 HA LYS 10 -28.365 4.517 1.834 86 1HB LYS 10 HB2 LYS 10 -29.914 6.087 3.090 87 2HB LYS 10 HB1 LYS 10 -30.676 4.664 2.394 88 1HG LYS 10 HG2 LYS 10 -30.611 3.583 4.611 89 2HG LYS 10 HG1 LYS 10 -29.926 5.061 5.283 90 1HD LYS 10 HD2 LYS 10 -31.953 6.282 4.523 91 2HD LYS 10 HD1 LYS 10 -32.639 4.738 4.006 92 1HE LYS 10 HE2 LYS 10 -32.387 3.911 6.332 93 2HE LYS 10 HE1 LYS 10 -31.851 5.521 6.809 94 1HZ LYS 10 HZ1 LYS 10 -34.522 4.720 5.802 95 2HZ LYS 10 HZ2 LYS 10 -34.034 6.339 5.917 96 3HZ LYS 10 HZ3 LYS 10 -34.136 5.387 7.313 97 H THR 11 HN THR 11 -28.567 4.840 5.371 98 HA THR 11 HA THR 11 -25.794 5.793 5.398 99 HB THR 11 HB THR 11 -26.613 7.285 7.360 100 HG1 THR 11 HG1 THR 11 -28.732 6.590 7.526 101 1HG2 THR 11 HG21 THR 11 -27.150 9.128 5.814 102 2HG2 THR 11 HG22 THR 11 -27.310 7.963 4.500 103 3HG2 THR 11 HG23 THR 11 -25.747 8.202 5.280 104 H TYR 12 HN TYR 12 -24.613 4.512 6.669 105 HA TYR 12 HA TYR 12 -25.933 3.192 8.949 106 1HB TYR 12 HB2 TYR 12 -25.518 1.771 6.798 107 2HB TYR 12 HB1 TYR 12 -23.835 1.800 7.307 108 HD1 TYR 12 HD2 TYR 12 -23.206 0.768 9.503 109 HD2 TYR 12 HD1 TYR 12 -27.093 0.344 7.832 110 HE1 TYR 12 HE2 TYR 12 -23.618 -1.158 10.971 111 HE2 TYR 12 HE1 TYR 12 -27.519 -1.585 9.295 112 HH TYR 12 HH TYR 12 -25.548 -2.363 11.934 113 H ASN 13 HN ASN 13 -24.973 3.953 10.718 114 HA ASN 13 HA ASN 13 -22.192 4.845 10.578 115 1HB ASN 13 HB2 ASN 13 -24.002 6.334 11.511 116 2HB ASN 13 HB1 ASN 13 -24.168 5.198 12.843 117 1HD2 ASN 13 HD21 ASN 13 -23.384 8.033 12.753 118 2HD2 ASN 13 HD22 ASN 13 -21.850 8.118 13.552 119 H VAL 14 HN VAL 14 -20.622 3.534 11.246 120 HA VAL 14 HA VAL 14 -21.283 1.519 13.297 121 HB VAL 14 HB VAL 14 -19.207 1.256 11.118 122 1HG1 VAL 14 HG11 VAL 14 -20.141 -0.706 13.204 123 2HG1 VAL 14 HG12 VAL 14 -18.565 0.082 13.140 124 3HG1 VAL 14 HG13 VAL 14 -19.027 -1.070 11.887 125 1HG2 VAL 14 HG21 VAL 14 -21.865 -0.125 11.406 126 2HG2 VAL 14 HG22 VAL 14 -20.659 -0.446 10.161 127 3HG2 VAL 14 HG23 VAL 14 -21.470 1.119 10.220 128 H MET 15 HN MET 15 -20.573 2.448 15.121 129 HA MET 15 HA MET 15 -19.091 2.953 16.760 130 1HB MET 15 HB2 MET 15 -17.050 1.925 14.783 131 2HB MET 15 HB1 MET 15 -16.737 2.249 16.484 132 1HG MET 15 HG2 MET 15 -18.391 0.548 17.101 133 2HG MET 15 HG1 MET 15 -18.660 0.205 15.394 134 1HE MET 15 HE1 MET 15 -17.921 -2.066 17.501 135 2HE MET 15 HE2 MET 15 -16.734 -2.985 16.575 136 3HE MET 15 HE3 MET 15 -18.182 -2.362 15.783 137 H GLY 16 HN GLY 16 -19.662 4.881 14.448 138 1HA GLY 16 HA2 GLY 16 -19.069 7.238 14.959 139 2HA GLY 16 HA1 GLY 16 -17.399 6.692 15.028 140 H ILE 17 HN ILE 17 -17.754 4.895 12.713 141 HA ILE 17 HA ILE 17 -17.391 6.947 10.678 142 HB ILE 17 HB ILE 17 -16.975 3.953 10.454 143 1HG1 ILE 17 HG12 ILE 17 -14.500 4.855 10.277 144 2HG1 ILE 17 HG11 ILE 17 -15.147 6.218 11.181 145 1HG2 ILE 17 HG21 ILE 17 -17.455 4.957 8.304 146 2HG2 ILE 17 HG22 ILE 17 -15.750 4.514 8.396 147 3HG2 ILE 17 HG23 ILE 17 -16.234 6.198 8.586 148 1HD1 ILE 17 HD11 ILE 17 -15.851 4.694 12.958 149 2HD1 ILE 17 HD12 ILE 17 -14.115 4.602 12.654 150 3HD1 ILE 17 HD13 ILE 17 -15.185 3.337 12.047 151 H THR 18 HN THR 18 -19.041 7.577 9.487 152 HA THR 18 HA THR 18 -21.410 5.865 9.319 153 HB THR 18 HB THR 18 -21.221 8.702 8.325 154 HG1 THR 18 HG1 THR 18 -21.053 7.773 10.900 155 1HG2 THR 18 HG21 THR 18 -23.507 7.044 9.406 156 2HG2 THR 18 HG22 THR 18 -23.208 7.402 7.705 157 3HG2 THR 18 HG23 THR 18 -23.621 8.703 8.822 158 H PHE 19 HN PHE 19 -21.360 4.503 7.652 159 HA PHE 19 HA PHE 19 -20.147 5.300 5.126 160 1HB PHE 19 HB2 PHE 19 -21.532 2.701 5.805 161 2HB PHE 19 HB1 PHE 19 -20.449 3.006 4.453 162 HD1 PHE 19 HD1 PHE 19 -20.687 2.387 8.041 163 HD2 PHE 19 HD2 PHE 19 -18.058 3.074 4.769 164 HE1 PHE 19 HE1 PHE 19 -18.794 1.619 9.405 165 HE2 PHE 19 HE2 PHE 19 -16.158 2.307 6.129 166 HZ PHE 19 HZ PHE 19 -16.531 1.578 8.454 167 H ARG 20 HN ARG 20 -21.301 5.524 3.207 168 HA ARG 20 HA ARG 20 -24.223 5.664 3.525 169 1HB ARG 20 HB2 ARG 20 -22.358 7.420 1.946 170 2HB ARG 20 HB1 ARG 20 -24.073 7.332 1.577 171 1HG ARG 20 HG2 ARG 20 -23.987 9.175 2.929 172 2HG ARG 20 HG1 ARG 20 -24.368 7.913 4.095 173 1HD ARG 20 HD2 ARG 20 -22.210 7.908 4.977 174 2HD ARG 20 HD1 ARG 20 -21.529 8.715 3.561 175 HE ARG 20 HE ARG 20 -23.331 10.507 4.576 176 1HH1 ARG 20 HH11 ARG 20 -20.573 8.829 5.961 177 2HH1 ARG 20 HH12 ARG 20 -20.160 10.153 7.016 178 1HH2 ARG 20 HH21 ARG 20 -22.753 12.224 5.929 179 2HH2 ARG 20 HH22 ARG 20 -21.365 12.090 6.968 180 H ALA 21 HN ALA 21 -25.518 4.923 1.831 181 HA ALA 21 HA ALA 21 -24.534 2.790 0.282 182 1HB ALA 21 HB1 ALA 21 -27.051 4.398 -0.144 183 2HB ALA 21 HB2 ALA 21 -26.889 3.011 0.934 184 3HB ALA 21 HB3 ALA 21 -26.711 2.799 -0.807 185 H GLY 22 HN GLY 22 -23.103 2.985 -1.291 186 1HA GLY 22 HA2 GLY 22 -22.673 3.581 -3.582 187 2HA GLY 22 HA1 GLY 22 -23.514 5.100 -3.298 188 H VAL 23 HN VAL 23 -21.731 4.658 -0.608 189 HA VAL 23 HA VAL 23 -19.408 6.084 -1.738 190 HB VAL 23 HB VAL 23 -20.584 6.383 1.034 191 1HG1 VAL 23 HG11 VAL 23 -18.288 7.809 -0.300 192 2HG1 VAL 23 HG12 VAL 23 -18.194 6.712 1.078 193 3HG1 VAL 23 HG13 VAL 23 -19.004 8.270 1.243 194 1HG2 VAL 23 HG21 VAL 23 -21.198 8.650 0.304 195 2HG2 VAL 23 HG22 VAL 23 -22.027 7.399 -0.624 196 3HG2 VAL 23 HG23 VAL 23 -20.655 8.258 -1.327 197 H SER 24 HN SER 24 -17.506 5.095 -1.523 198 HA SER 24 HA SER 24 -17.305 2.825 0.324 199 1HB SER 24 HB2 SER 24 -15.446 3.629 -1.926 200 2HB SER 24 HB1 SER 24 -15.396 2.121 -1.012 201 HG SER 24 HG SER 24 -17.851 2.520 -2.026 202 H GLN 25 HN GLN 25 -16.232 3.050 2.175 203 HA GLN 25 HA GLN 25 -14.232 5.203 2.362 204 1HB GLN 25 HB2 GLN 25 -16.142 4.193 4.470 205 2HB GLN 25 HB1 GLN 25 -14.787 5.262 4.815 206 1HG GLN 25 HG2 GLN 25 -15.730 6.947 3.322 207 2HG GLN 25 HG1 GLN 25 -17.084 5.875 2.969 208 1HE2 GLN 25 HE21 GLN 25 -17.029 8.558 4.165 209 2HE2 GLN 25 HE22 GLN 25 -17.816 8.405 5.695 210 H THR 26 HN THR 26 -12.377 4.808 3.630 211 HA THR 26 HA THR 26 -11.596 2.001 3.622 212 HB THR 26 HB THR 26 -9.301 2.981 4.134 213 HG1 THR 26 HG1 THR 26 -10.238 5.049 4.850 214 1HG2 THR 26 HG21 THR 26 -8.945 3.714 1.812 215 2HG2 THR 26 HG22 THR 26 -10.692 3.811 1.583 216 3HG2 THR 26 HG23 THR 26 -9.928 2.252 1.895 217 H VAL 27 HN VAL 27 -11.403 0.813 5.393 218 HA VAL 27 HA VAL 27 -11.430 2.164 8.020 219 HB VAL 27 HB VAL 27 -12.757 0.233 8.869 220 1HG1 VAL 27 HG11 VAL 27 -14.894 0.969 7.904 221 2HG1 VAL 27 HG12 VAL 27 -14.012 1.840 6.651 222 3HG1 VAL 27 HG13 VAL 27 -13.854 2.323 8.341 223 1HG2 VAL 27 HG21 VAL 27 -13.032 -0.441 5.936 224 2HG2 VAL 27 HG22 VAL 27 -13.947 -1.184 7.247 225 3HG2 VAL 27 HG23 VAL 27 -12.201 -1.408 7.154 226 HA PRO 28 HA PRO 28 -8.012 -0.487 9.248 227 1HB PRO 28 HB2 PRO 28 -9.485 -0.866 11.792 228 2HB PRO 28 HB1 PRO 28 -7.861 -0.227 11.520 229 1HG PRO 28 HG2 PRO 28 -9.868 1.386 12.218 230 2HG PRO 28 HG1 PRO 28 -8.633 1.909 11.056 231 1HD PRO 28 HD2 PRO 28 -11.422 0.948 10.553 232 2HD PRO 28 HD1 PRO 28 -10.535 2.279 9.783 233 H LYS 29 HN LYS 29 -7.604 -2.765 9.797 234 HA LYS 29 HA LYS 29 -9.497 -4.374 8.421 235 1HB LYS 29 HB2 LYS 29 -8.014 -6.251 8.782 236 2HB LYS 29 HB1 LYS 29 -7.109 -4.843 8.259 237 1HG LYS 29 HG2 LYS 29 -7.253 -5.101 11.157 238 2HG LYS 29 HG1 LYS 29 -6.483 -6.476 10.364 239 1HD LYS 29 HD2 LYS 29 -5.721 -3.569 10.096 240 2HD LYS 29 HD1 LYS 29 -4.812 -4.825 10.934 241 1HE LYS 29 HE2 LYS 29 -5.366 -4.676 7.972 242 2HE LYS 29 HE1 LYS 29 -3.822 -4.376 8.767 243 1HZ LYS 29 HZ1 LYS 29 -5.275 -6.957 8.576 244 2HZ LYS 29 HZ2 LYS 29 -3.915 -6.718 9.561 245 3HZ LYS 29 HZ3 LYS 29 -3.783 -6.561 7.877 246 H LYS 30 HN LYS 30 -9.230 -3.570 11.736 247 HA LYS 30 HA LYS 30 -10.626 -5.843 12.745 248 1HB LYS 30 HB2 LYS 30 -11.105 -4.371 14.728 249 2HB LYS 30 HB1 LYS 30 -9.403 -4.557 14.336 250 1HG LYS 30 HG2 LYS 30 -9.295 -2.374 13.399 251 2HG LYS 30 HG1 LYS 30 -11.049 -2.194 13.473 252 1HD LYS 30 HD2 LYS 30 -9.326 -2.589 15.912 253 2HD LYS 30 HD1 LYS 30 -9.754 -0.999 15.276 254 1HE LYS 30 HE2 LYS 30 -12.143 -1.597 15.511 255 2HE LYS 30 HE1 LYS 30 -11.662 -3.128 16.238 256 1HZ LYS 30 HZ1 LYS 30 -10.753 -2.017 18.096 257 2HZ LYS 30 HZ2 LYS 30 -12.270 -1.302 17.824 258 3HZ LYS 30 HZ3 LYS 30 -10.858 -0.498 17.348 259 H LEU 31 HN LEU 31 -11.618 -2.619 11.665 260 HA LEU 31 HA LEU 31 -14.412 -3.124 12.008 261 1HB LEU 31 HB2 LEU 31 -12.828 -1.008 10.583 262 2HB LEU 31 HB1 LEU 31 -14.569 -1.102 10.403 263 HG LEU 31 HG LEU 31 -13.152 -0.770 13.049 264 1HD1 LEU 31 HD11 LEU 31 -12.814 1.197 11.678 265 2HD1 LEU 31 HD12 LEU 31 -13.981 1.542 12.952 266 3HD1 LEU 31 HD13 LEU 31 -14.535 1.261 11.302 267 1HD2 LEU 31 HD21 LEU 31 -16.056 -0.575 12.265 268 2HD2 LEU 31 HD22 LEU 31 -15.399 -0.202 13.858 269 3HD2 LEU 31 HD23 LEU 31 -15.319 -1.850 13.235 270 H TYR 32 HN TYR 32 -12.074 -3.431 9.434 271 HA TYR 32 HA TYR 32 -13.690 -3.967 7.261 272 1HB TYR 32 HB2 TYR 32 -11.300 -3.767 7.009 273 2HB TYR 32 HB1 TYR 32 -11.025 -5.164 8.040 274 HD1 TYR 32 HD1 TYR 32 -12.487 -4.146 4.779 275 HD2 TYR 32 HD2 TYR 32 -10.875 -7.312 7.118 276 HE1 TYR 32 HE1 TYR 32 -12.487 -5.603 2.799 277 HE2 TYR 32 HE2 TYR 32 -10.871 -8.777 5.143 278 HH TYR 32 HH TYR 32 -11.873 -9.005 3.017 279 H GLU 33 HN GLU 33 -12.397 -6.335 9.600 280 HA GLU 33 HA GLU 33 -13.794 -8.530 8.503 281 1HB GLU 33 HB2 GLU 33 -12.345 -8.018 11.065 282 2HB GLU 33 HB1 GLU 33 -13.314 -9.478 10.902 283 1HG GLU 33 HG2 GLU 33 -11.332 -8.773 8.790 284 2HG GLU 33 HG1 GLU 33 -10.786 -9.517 10.294 285 H TYR 34 HN TYR 34 -14.605 -6.240 11.062 286 HA TYR 34 HA TYR 34 -16.895 -7.557 12.026 287 1HB TYR 34 HB2 TYR 34 -15.730 -5.598 13.107 288 2HB TYR 34 HB1 TYR 34 -16.486 -4.562 11.901 289 HD1 TYR 34 HD1 TYR 34 -17.074 -6.680 14.844 290 HD2 TYR 34 HD2 TYR 34 -18.839 -4.013 12.037 291 HE1 TYR 34 HE1 TYR 34 -19.056 -6.490 16.282 292 HE2 TYR 34 HE2 TYR 34 -20.830 -3.817 13.469 293 HH TYR 34 HH TYR 34 -21.974 -5.188 15.236 294 H LEU 35 HN LEU 35 -16.518 -5.100 9.480 295 HA LEU 35 HA LEU 35 -19.292 -5.124 8.768 296 1HB LEU 35 HB2 LEU 35 -16.887 -4.135 7.237 297 2HB LEU 35 HB1 LEU 35 -18.557 -3.829 6.797 298 HG LEU 35 HG LEU 35 -17.206 -2.875 9.320 299 1HD1 LEU 35 HD11 LEU 35 -16.383 -1.714 7.359 300 2HD1 LEU 35 HD12 LEU 35 -17.424 -0.653 8.306 301 3HD1 LEU 35 HD13 LEU 35 -18.034 -1.397 6.829 302 1HD2 LEU 35 HD21 LEU 35 -19.255 -1.566 9.647 303 2HD2 LEU 35 HD22 LEU 35 -19.569 -3.300 9.678 304 3HD2 LEU 35 HD23 LEU 35 -19.976 -2.356 8.245 305 H ASN 36 HN ASN 36 -16.488 -6.931 7.868 306 HA ASN 36 HA ASN 36 -17.407 -8.121 5.491 307 1HB ASN 36 HB2 ASN 36 -15.064 -8.174 6.232 308 2HB ASN 36 HB1 ASN 36 -15.509 -9.177 7.603 309 1HD2 ASN 36 HD21 ASN 36 -14.001 -10.696 6.940 310 2HD2 ASN 36 HD22 ASN 36 -14.313 -11.764 5.622 311 H GLU 37 HN GLU 37 -18.092 -8.715 8.849 312 HA GLU 37 HA GLU 37 -19.444 -11.213 8.439 313 1HB GLU 37 HB2 GLU 37 -19.633 -9.258 10.733 314 2HB GLU 37 HB1 GLU 37 -20.244 -10.904 10.737 315 1HG GLU 37 HG2 GLU 37 -17.970 -11.755 10.504 316 2HG GLU 37 HG1 GLU 37 -17.355 -10.099 10.505 317 H ASN 38 HN ASN 38 -20.239 -8.041 7.670 318 HA ASN 38 HA ASN 38 -23.109 -8.439 8.122 319 1HB ASN 38 HB2 ASN 38 -21.433 -5.972 7.755 320 2HB ASN 38 HB1 ASN 38 -23.179 -5.925 7.536 321 1HD2 ASN 38 HD21 ASN 38 -20.588 -6.371 9.832 322 2HD2 ASN 38 HD22 ASN 38 -21.563 -6.203 11.246 323 HA PRO 39 HA PRO 39 -23.170 -9.526 3.804 324 1HB PRO 39 HB2 PRO 39 -26.091 -9.616 4.145 325 2HB PRO 39 HB1 PRO 39 -24.968 -10.903 3.700 326 1HG PRO 39 HG2 PRO 39 -26.153 -10.836 6.105 327 2HG PRO 39 HG1 PRO 39 -24.497 -11.435 5.893 328 1HD PRO 39 HD2 PRO 39 -25.437 -8.778 6.908 329 2HD PRO 39 HD1 PRO 39 -24.121 -9.816 7.500 330 H TYR 40 HN TYR 40 -24.521 -6.666 5.090 331 HA TYR 40 HA TYR 40 -25.487 -5.882 2.438 332 1HB TYR 40 HB2 TYR 40 -26.318 -3.800 3.816 333 2HB TYR 40 HB1 TYR 40 -27.227 -5.301 3.782 334 HD1 TYR 40 HD1 TYR 40 -24.769 -3.388 5.830 335 HD2 TYR 40 HD2 TYR 40 -27.773 -6.399 5.751 336 HE1 TYR 40 HE1 TYR 40 -24.763 -3.457 8.289 337 HE2 TYR 40 HE2 TYR 40 -27.768 -6.481 8.204 338 HH TYR 40 HH TYR 40 -26.163 -4.118 10.120 339 H PHE 41 HN PHE 41 -22.652 -5.962 3.589 340 HA PHE 41 HA PHE 41 -21.926 -3.290 2.584 341 1HB PHE 41 HB2 PHE 41 -20.601 -5.021 4.664 342 2HB PHE 41 HB1 PHE 41 -19.707 -3.771 3.812 343 HD1 PHE 41 HD1 PHE 41 -22.358 -4.452 6.237 344 HD2 PHE 41 HD2 PHE 41 -20.079 -1.448 4.271 345 HE1 PHE 41 HE1 PHE 41 -23.125 -2.797 7.887 346 HE2 PHE 41 HE2 PHE 41 -20.845 0.214 5.914 347 HZ PHE 41 HZ PHE 41 -22.370 -0.460 7.725 348 H ILE 42 HN ILE 42 -20.856 -3.305 0.655 349 HA ILE 42 HA ILE 42 -19.415 -5.750 -0.063 350 HB ILE 42 HB ILE 42 -20.791 -4.614 -1.819 351 1HG1 ILE 42 HG12 ILE 42 -17.824 -4.762 -2.385 352 2HG1 ILE 42 HG11 ILE 42 -18.936 -6.126 -2.392 353 1HG2 ILE 42 HG21 ILE 42 -20.376 -2.292 -1.231 354 2HG2 ILE 42 HG22 ILE 42 -19.923 -2.603 -2.907 355 3HG2 ILE 42 HG23 ILE 42 -18.677 -2.474 -1.666 356 1HD1 ILE 42 HD11 ILE 42 -18.428 -5.374 -4.648 357 2HD1 ILE 42 HD12 ILE 42 -19.039 -3.766 -4.256 358 3HD1 ILE 42 HD13 ILE 42 -20.136 -5.147 -4.272 359 H LEU 43 HN LEU 43 -17.408 -5.972 0.548 360 HA LEU 43 HA LEU 43 -15.841 -3.548 1.084 361 1HB LEU 43 HB2 LEU 43 -15.411 -6.352 2.122 362 2HB LEU 43 HB1 LEU 43 -14.423 -4.956 2.512 363 HG LEU 43 HG LEU 43 -16.804 -4.007 3.283 364 1HD1 LEU 43 HD11 LEU 43 -18.062 -5.753 4.432 365 2HD1 LEU 43 HD12 LEU 43 -16.991 -6.977 3.748 366 3HD1 LEU 43 HD13 LEU 43 -18.026 -6.020 2.687 367 1HD2 LEU 43 HD21 LEU 43 -15.034 -5.803 4.931 368 2HD2 LEU 43 HD22 LEU 43 -16.182 -4.620 5.557 369 3HD2 LEU 43 HD23 LEU 43 -14.780 -4.082 4.630 370 H THR 44 HN THR 44 -14.424 -3.033 -0.367 371 HA THR 44 HA THR 44 -13.511 -5.089 -2.254 372 HB THR 44 HB THR 44 -13.394 -2.087 -2.607 373 HG1 THR 44 HG1 THR 44 -15.535 -3.706 -2.614 374 1HG2 THR 44 HG21 THR 44 -11.897 -3.400 -4.050 375 2HG2 THR 44 HG22 THR 44 -13.188 -2.637 -4.978 376 3HG2 THR 44 HG23 THR 44 -13.272 -4.357 -4.598 377 H GLN 45 HN GLN 45 -11.457 -5.741 -2.103 378 HA GLN 45 HA GLN 45 -9.557 -4.016 -0.683 379 1HB GLN 45 HB2 GLN 45 -8.871 -6.799 -1.555 380 2HB GLN 45 HB1 GLN 45 -8.264 -5.875 -0.193 381 1HG GLN 45 HG2 GLN 45 -9.535 -7.556 0.774 382 2HG GLN 45 HG1 GLN 45 -10.587 -6.144 0.813 383 1HE2 GLN 45 HE21 GLN 45 -12.376 -7.525 1.004 384 2HE2 GLN 45 HE22 GLN 45 -13.014 -8.366 -0.369 385 H GLU 46 HN GLU 46 -8.690 -2.627 -2.100 386 HA GLU 46 HA GLU 46 -7.874 -3.654 -4.722 387 1HB GLU 46 HB2 GLU 46 -7.379 -0.941 -4.785 388 2HB GLU 46 HB1 GLU 46 -8.796 -1.743 -5.440 389 1HG GLU 46 HG2 GLU 46 -9.488 0.128 -4.123 390 2HG GLU 46 HG1 GLU 46 -9.961 -1.355 -3.297 391 H LEU 47 HN LEU 47 -5.887 -4.331 -4.870 392 HA LEU 47 HA LEU 47 -3.878 -3.779 -2.961 393 1HB LEU 47 HB2 LEU 47 -3.743 -4.997 -5.718 394 2HB LEU 47 HB1 LEU 47 -2.339 -4.825 -4.688 395 HG LEU 47 HG LEU 47 -3.070 -7.065 -4.481 396 1HD1 LEU 47 HD11 LEU 47 -4.009 -5.497 -2.090 397 2HD1 LEU 47 HD12 LEU 47 -2.374 -6.088 -2.395 398 3HD1 LEU 47 HD13 LEU 47 -3.686 -7.231 -2.108 399 1HD2 LEU 47 HD21 LEU 47 -5.830 -6.004 -3.896 400 2HD2 LEU 47 HD22 LEU 47 -5.341 -7.697 -3.831 401 3HD2 LEU 47 HD23 LEU 47 -5.318 -6.832 -5.367 402 H ASN 48 HN ASN 48 -2.206 -2.350 -2.972 403 HA ASN 48 HA ASN 48 -2.522 0.067 -4.397 404 1HB ASN 48 HB2 ASN 48 -0.024 -0.928 -3.003 405 2HB ASN 48 HB1 ASN 48 -0.403 0.743 -3.407 406 1HD2 ASN 48 HD21 ASN 48 -2.054 1.814 -2.244 407 2HD2 ASN 48 HD22 ASN 48 -2.559 1.251 -0.680 408 H ASN 49 HN ASN 49 -0.638 -2.812 -4.924 409 HA ASN 49 HA ASN 49 -0.180 -1.875 -7.665 410 1HB ASN 49 HB2 ASN 49 1.993 -2.947 -7.758 411 2HB ASN 49 HB1 ASN 49 1.979 -1.822 -6.406 412 1HD2 ASN 49 HD21 ASN 49 1.940 -2.644 -4.292 413 2HD2 ASN 49 HD22 ASN 49 2.415 -4.268 -3.944 414 H GLN 50 HN GLN 50 -1.126 -3.175 -9.084 415 HA GLN 50 HA GLN 50 -1.648 -5.942 -8.254 416 1HB GLN 50 HB2 GLN 50 -3.633 -5.859 -9.808 417 2HB GLN 50 HB1 GLN 50 -3.763 -4.889 -8.353 418 1HG GLN 50 HG2 GLN 50 -4.595 -3.444 -9.899 419 2HG GLN 50 HG1 GLN 50 -2.898 -2.977 -9.913 420 1HE2 GLN 50 HE21 GLN 50 -5.424 -4.659 -11.630 421 2HE2 GLN 50 HE22 GLN 50 -4.632 -4.677 -13.168 422 H LYS 51 HN LYS 51 -2.000 -7.424 -10.213 423 HA LYS 51 HA LYS 51 0.387 -6.979 -11.866 424 1HB LYS 51 HB2 LYS 51 -1.028 -9.502 -11.013 425 2HB LYS 51 HB1 LYS 51 0.279 -9.480 -12.190 426 1HG LYS 51 HG2 LYS 51 0.506 -8.468 -9.365 427 2HG LYS 51 HG1 LYS 51 1.019 -10.067 -9.912 428 1HD LYS 51 HD2 LYS 51 2.613 -9.069 -11.437 429 2HD LYS 51 HD1 LYS 51 2.052 -7.453 -11.007 430 1HE LYS 51 HE2 LYS 51 2.859 -7.719 -8.756 431 2HE LYS 51 HE1 LYS 51 3.284 -9.402 -9.067 432 1HZ LYS 51 HZ1 LYS 51 4.499 -7.073 -10.460 433 2HZ LYS 51 HZ2 LYS 51 4.957 -8.700 -10.615 434 3HZ LYS 51 HZ3 LYS 51 5.203 -7.886 -9.146 435 H ASP 52 HN ASP 52 -2.610 -6.256 -12.279 436 HA ASP 52 HA ASP 52 -4.090 -6.083 -13.980 437 1HB ASP 52 HB2 ASP 52 -2.203 -5.064 -15.151 438 2HB ASP 52 HB1 ASP 52 -1.651 -6.652 -15.677 439 H ASP 53 HN ASP 53 -5.410 -7.750 -13.532 440 HA ASP 53 HA ASP 53 -4.773 -10.457 -14.027 441 1HB ASP 53 HB2 ASP 53 -7.147 -10.888 -13.464 442 2HB ASP 53 HB1 ASP 53 -6.329 -9.887 -12.274 443 HA PRO 54 HA PRO 54 -5.644 -10.195 -18.375 444 1HB PRO 54 HB2 PRO 54 -4.521 -12.527 -19.062 445 2HB PRO 54 HB1 PRO 54 -3.539 -11.139 -18.575 446 1HG PRO 54 HG2 PRO 54 -4.332 -13.550 -16.995 447 2HG PRO 54 HG1 PRO 54 -2.771 -12.711 -17.052 448 1HD PRO 54 HD2 PRO 54 -4.653 -12.367 -15.071 449 2HD PRO 54 HD1 PRO 54 -3.415 -11.169 -15.495 450 H ILE 55 HN ILE 55 -6.853 -11.357 -19.932 451 HA ILE 55 HA ILE 55 -8.718 -12.354 -20.692 452 HB ILE 55 HB ILE 55 -7.081 -14.300 -20.307 453 1HG1 ILE 55 HG12 ILE 55 -8.788 -15.944 -20.994 454 2HG1 ILE 55 HG11 ILE 55 -10.051 -14.817 -20.510 455 1HG2 ILE 55 HG21 ILE 55 -7.375 -14.565 -17.903 456 2HG2 ILE 55 HG22 ILE 55 -7.816 -16.042 -18.761 457 3HG2 ILE 55 HG23 ILE 55 -9.074 -14.971 -18.144 458 1HD1 ILE 55 HD11 ILE 55 -9.692 -14.803 -22.917 459 2HD1 ILE 55 HD12 ILE 55 -8.009 -14.339 -22.666 460 3HD1 ILE 55 HD13 ILE 55 -9.306 -13.239 -22.199 461 H ASN 56 HN ASN 56 -8.936 -10.765 -18.269 462 HA ASN 56 HA ASN 56 -11.644 -11.466 -17.558 463 1HB ASN 56 HB2 ASN 56 -10.293 -12.728 -15.896 464 2HB ASN 56 HB1 ASN 56 -9.514 -11.228 -15.408 465 1HD2 ASN 56 HD21 ASN 56 -10.627 -9.764 -14.144 466 2HD2 ASN 56 HD22 ASN 56 -12.135 -10.155 -13.377 467 H TYR 57 HN TYR 57 -12.029 -9.538 -18.691 468 HA TYR 57 HA TYR 57 -11.435 -7.107 -17.161 469 1HB TYR 57 HB2 TYR 57 -11.190 -7.353 -20.169 470 2HB TYR 57 HB1 TYR 57 -11.042 -5.862 -19.254 471 HD1 TYR 57 HD2 TYR 57 -9.035 -5.400 -17.949 472 HD2 TYR 57 HD1 TYR 57 -9.402 -8.973 -20.228 473 HE1 TYR 57 HE2 TYR 57 -6.607 -5.756 -17.772 474 HE2 TYR 57 HE1 TYR 57 -6.978 -9.337 -20.061 475 HH TYR 57 HH TYR 57 -4.969 -7.424 -17.969 476 H THR 58 HN THR 58 -13.004 -5.480 -17.353 477 HA THR 58 HA THR 58 -15.648 -6.164 -17.871 478 HB THR 58 HB THR 58 -14.485 -3.396 -18.084 479 HG1 THR 58 HG1 THR 58 -14.212 -3.466 -15.976 480 1HG2 THR 58 HG21 THR 58 -16.832 -3.620 -18.808 481 2HG2 THR 58 HG22 THR 58 -16.688 -2.670 -17.329 482 3HG2 THR 58 HG23 THR 58 -17.232 -4.347 -17.253 483 H GLU 59 HN GLU 59 -16.949 -6.174 -19.641 484 HA GLU 59 HA GLU 59 -15.831 -6.274 -22.208 485 1HB GLU 59 HB2 GLU 59 -18.141 -6.064 -23.058 486 2HB GLU 59 HB1 GLU 59 -18.007 -7.252 -21.771 487 1HG GLU 59 HG2 GLU 59 -19.323 -6.099 -20.380 488 2HG GLU 59 HG1 GLU 59 -18.700 -4.535 -20.910 489 H SER 60 HN SER 60 -17.067 -3.631 -20.308 490 HA SER 60 HA SER 60 -17.027 -1.670 -22.344 491 1HB SER 60 HB2 SER 60 -16.677 -1.266 -19.363 492 2HB SER 60 HB1 SER 60 -17.228 -0.070 -20.539 493 HG SER 60 HG SER 60 -18.977 -1.666 -20.974 494 H GLU 61 HN GLU 61 -14.578 -3.116 -20.295 495 HA GLU 61 HA GLU 61 -12.589 -1.106 -20.943 496 1HB GLU 61 HB2 GLU 61 -12.346 -3.854 -19.707 497 2HB GLU 61 HB1 GLU 61 -10.997 -2.747 -19.922 498 1HG GLU 61 HG2 GLU 61 -13.455 -2.188 -18.277 499 2HG GLU 61 HG1 GLU 61 -11.897 -2.714 -17.641 500 H LEU 62 HN LEU 62 -13.366 -4.386 -21.984 501 HA LEU 62 HA LEU 62 -11.229 -4.638 -23.842 502 1HB LEU 62 HB2 LEU 62 -13.861 -6.105 -23.675 503 2HB LEU 62 HB1 LEU 62 -12.488 -6.600 -24.646 504 HG LEU 62 HG LEU 62 -12.368 -6.346 -21.645 505 1HD1 LEU 62 HD11 LEU 62 -12.895 -8.794 -23.324 506 2HD1 LEU 62 HD12 LEU 62 -14.041 -8.012 -22.233 507 3HD1 LEU 62 HD13 LEU 62 -12.590 -8.783 -21.586 508 1HD2 LEU 62 HD21 LEU 62 -10.598 -7.728 -23.656 509 2HD2 LEU 62 HD22 LEU 62 -10.388 -7.759 -21.905 510 3HD2 LEU 62 HD23 LEU 62 -10.222 -6.239 -22.786 511 H LYS 63 HN LYS 63 -14.267 -3.092 -23.955 512 HA LYS 63 HA LYS 63 -14.897 -3.306 -26.689 513 1HB LYS 63 HB2 LYS 63 -16.294 -2.471 -24.634 514 2HB LYS 63 HB1 LYS 63 -15.624 -0.901 -25.051 515 1HG LYS 63 HG2 LYS 63 -17.787 -1.108 -26.039 516 2HG LYS 63 HG1 LYS 63 -16.577 -1.150 -27.323 517 1HD LYS 63 HD2 LYS 63 -18.311 -2.823 -27.704 518 2HD LYS 63 HD1 LYS 63 -16.751 -3.590 -27.406 519 1HE LYS 63 HE2 LYS 63 -18.460 -4.793 -26.212 520 2HE LYS 63 HE1 LYS 63 -17.426 -3.962 -25.054 521 1HZ LYS 63 HZ1 LYS 63 -19.750 -3.756 -24.455 522 2HZ LYS 63 HZ2 LYS 63 -20.109 -3.048 -25.951 523 3HZ LYS 63 HZ3 LYS 63 -19.116 -2.235 -24.851 524 H GLY 64 HN GLY 64 -12.860 -1.080 -24.891 525 1HA GLY 64 HA2 GLY 64 -12.419 0.499 -27.333 526 2HA GLY 64 HA1 GLY 64 -12.072 1.039 -25.697 527 H MET 65 HN MET 65 -11.195 -2.005 -27.271 528 HA MET 65 HA MET 65 -8.366 -1.277 -26.885 529 1HB MET 65 HB2 MET 65 -9.721 -3.962 -26.643 530 2HB MET 65 HB1 MET 65 -7.979 -3.777 -26.746 531 1HG MET 65 HG2 MET 65 -7.993 -2.455 -24.697 532 2HG MET 65 HG1 MET 65 -9.745 -2.632 -24.596 533 1HE MET 65 HE1 MET 65 -9.411 -3.536 -22.088 534 2HE MET 65 HE2 MET 65 -7.661 -3.395 -22.255 535 3HE MET 65 HE3 MET 65 -8.373 -4.903 -21.678 536 H ASN 66 HN ASN 66 -6.868 -2.422 -28.337 537 HA ASN 66 HA ASN 66 -7.801 -2.388 -31.083 538 1HB ASN 66 HB2 ASN 66 -5.084 -2.977 -29.880 539 2HB ASN 66 HB1 ASN 66 -5.409 -2.909 -31.608 540 1HD2 ASN 66 HD21 ASN 66 -5.138 -1.091 -28.663 541 2HD2 ASN 66 HD22 ASN 66 -5.001 0.470 -29.407 542 H LYS 67 HN LYS 67 -7.275 -4.259 -32.542 543 HA LYS 67 HA LYS 67 -8.427 -6.611 -31.455 544 1HB LYS 67 HB2 LYS 67 -8.157 -7.606 -33.616 545 2HB LYS 67 HB1 LYS 67 -8.630 -5.931 -33.849 546 1HG LYS 67 HG2 LYS 67 -6.432 -5.315 -34.501 547 2HG LYS 67 HG1 LYS 67 -5.781 -6.881 -34.005 548 1HD LYS 67 HD2 LYS 67 -7.316 -7.920 -35.724 549 2HD LYS 67 HD1 LYS 67 -7.624 -6.285 -36.312 550 1HE LYS 67 HE2 LYS 67 -5.873 -7.444 -37.603 551 2HE LYS 67 HE1 LYS 67 -5.279 -5.984 -36.814 552 1HZ LYS 67 HZ1 LYS 67 -4.005 -7.171 -35.360 553 2HZ LYS 67 HZ2 LYS 67 -3.939 -8.213 -36.696 554 3HZ LYS 67 HZ3 LYS 67 -4.993 -8.546 -35.409 555 H ALA 68 HN ALA 68 -5.120 -5.644 -32.163 556 HA ALA 68 HA ALA 68 -3.890 -8.157 -31.831 557 1HB ALA 68 HB1 ALA 68 -1.810 -6.919 -31.634 558 2HB ALA 68 HB2 ALA 68 -2.706 -5.422 -31.371 559 3HB ALA 68 HB3 ALA 68 -2.806 -6.250 -32.926 560 H GLU 69 HN GLU 69 -4.832 -5.684 -29.536 561 HA GLU 69 HA GLU 69 -3.357 -6.631 -27.332 562 1HB GLU 69 HB2 GLU 69 -5.990 -5.136 -27.344 563 2HB GLU 69 HB1 GLU 69 -4.911 -5.307 -25.964 564 1HG GLU 69 HG2 GLU 69 -3.151 -4.131 -27.260 565 2HG GLU 69 HG1 GLU 69 -4.333 -3.861 -28.539 566 H HIS 70 HN HIS 70 -6.757 -7.197 -28.264 567 HA HIS 70 HA HIS 70 -7.411 -9.151 -26.415 568 1HB HIS 70 HB2 HIS 70 -8.240 -8.801 -29.289 569 2HB HIS 70 HB1 HIS 70 -8.908 -10.068 -28.268 570 HD1 HIS 70 HD1 HIS 70 -10.922 -9.459 -27.004 571 HD2 HIS 70 HD2 HIS 70 -8.748 -6.113 -28.143 572 HE1 HIS 70 HE1 HIS 70 -12.341 -7.498 -26.393 573 HE2 HIS 70 HE2 HIS 70 -11.110 -5.498 -27.291 574 H GLU 71 HN GLU 71 -5.786 -9.505 -29.543 575 HA GLU 71 HA GLU 71 -5.596 -12.285 -29.596 576 1HB GLU 71 HB2 GLU 71 -3.876 -10.119 -30.789 577 2HB GLU 71 HB1 GLU 71 -3.547 -11.826 -31.063 578 1HG GLU 71 HG2 GLU 71 -5.628 -12.137 -32.163 579 2HG GLU 71 HG1 GLU 71 -6.198 -10.545 -31.671 580 H SER 72 HN SER 72 -3.392 -9.876 -28.220 581 HA SER 72 HA SER 72 -1.434 -11.702 -27.347 582 1HB SER 72 HB2 SER 72 -2.131 -8.983 -26.207 583 2HB SER 72 HB1 SER 72 -0.621 -9.859 -25.953 584 HG SER 72 HG SER 72 -1.625 -8.872 -28.424 585 H ILE 73 HN ILE 73 -4.243 -10.283 -25.706 586 HA ILE 73 HA ILE 73 -3.824 -11.291 -23.144 587 HB ILE 73 HB ILE 73 -6.463 -10.802 -24.541 588 1HG1 ILE 73 HG12 ILE 73 -4.922 -9.010 -22.646 589 2HG1 ILE 73 HG11 ILE 73 -4.926 -8.834 -24.399 590 1HG2 ILE 73 HG21 ILE 73 -5.870 -11.062 -21.596 591 2HG2 ILE 73 HG22 ILE 73 -6.740 -12.232 -22.586 592 3HG2 ILE 73 HG23 ILE 73 -7.427 -10.633 -22.304 593 1HD1 ILE 73 HD11 ILE 73 -7.316 -8.583 -22.585 594 2HD1 ILE 73 HD12 ILE 73 -7.348 -8.443 -24.343 595 3HD1 ILE 73 HD13 ILE 73 -6.459 -7.262 -23.379 596 H ILE 74 HN ILE 74 -5.911 -12.676 -25.689 597 HA ILE 74 HA ILE 74 -6.533 -14.928 -24.047 598 HB ILE 74 HB ILE 74 -7.068 -14.854 -27.005 599 1HG1 ILE 74 HG12 ILE 74 -8.645 -13.432 -24.840 600 2HG1 ILE 74 HG11 ILE 74 -7.698 -12.641 -26.097 601 1HG2 ILE 74 HG21 ILE 74 -9.090 -16.065 -26.324 602 2HG2 ILE 74 HG22 ILE 74 -8.601 -15.927 -24.635 603 3HG2 ILE 74 HG23 ILE 74 -7.633 -16.884 -25.757 604 1HD1 ILE 74 HD11 ILE 74 -9.181 -13.550 -27.798 605 2HD1 ILE 74 HD12 ILE 74 -10.076 -12.612 -26.604 606 3HD1 ILE 74 HD13 ILE 74 -10.119 -14.374 -26.552 607 H SER 75 HN SER 75 -4.055 -14.243 -26.374 608 HA SER 75 HA SER 75 -3.329 -16.915 -26.972 609 1HB SER 75 HB2 SER 75 -2.492 -14.946 -28.250 610 2HB SER 75 HB1 SER 75 -1.516 -14.488 -26.854 611 HG SER 75 HG SER 75 -1.177 -17.097 -27.645 612 H ASN 76 HN ASN 76 -2.517 -14.702 -24.351 613 HA ASN 76 HA ASN 76 -0.637 -16.417 -23.077 614 1HB ASN 76 HB2 ASN 76 -2.192 -13.999 -22.208 615 2HB ASN 76 HB1 ASN 76 -1.333 -14.959 -21.009 616 1HD2 ASN 76 HD21 ASN 76 -1.005 -12.884 -23.795 617 2HD2 ASN 76 HD22 ASN 76 0.685 -12.551 -23.587 618 H LEU 77 HN LEU 77 -4.120 -16.034 -22.933 619 HA LEU 77 HA LEU 77 -4.652 -17.800 -20.800 620 1HB LEU 77 HB2 LEU 77 -6.407 -16.405 -21.680 621 2HB LEU 77 HB1 LEU 77 -6.248 -17.126 -23.270 622 HG LEU 77 HG LEU 77 -6.980 -19.314 -22.215 623 1HD1 LEU 77 HD11 LEU 77 -8.226 -19.174 -20.127 624 2HD1 LEU 77 HD12 LEU 77 -7.784 -17.474 -19.967 625 3HD1 LEU 77 HD13 LEU 77 -6.538 -18.721 -19.890 626 1HD2 LEU 77 HD21 LEU 77 -9.348 -18.705 -22.288 627 2HD2 LEU 77 HD22 LEU 77 -8.448 -17.981 -23.618 628 3HD2 LEU 77 HD23 LEU 77 -8.910 -16.999 -22.229 629 H GLY 78 HN GLY 78 -4.026 -18.334 -24.209 630 1HA GLY 78 HA2 GLY 78 -2.923 -20.440 -24.818 631 2HA GLY 78 HA1 GLY 78 -4.016 -21.243 -23.696 632 H ARG 79 HN ARG 79 -5.139 -18.685 -25.763 633 HA ARG 79 HA ARG 79 -6.103 -20.518 -27.802 634 1HB ARG 79 HB2 ARG 79 -7.760 -19.794 -25.645 635 2HB ARG 79 HB1 ARG 79 -8.290 -18.809 -27.002 636 1HG ARG 79 HG2 ARG 79 -9.364 -20.526 -27.878 637 2HG ARG 79 HG1 ARG 79 -7.886 -21.495 -27.889 638 1HD ARG 79 HD2 ARG 79 -9.860 -21.197 -25.633 639 2HD ARG 79 HD1 ARG 79 -9.557 -22.640 -26.598 640 HE ARG 79 HE ARG 79 -7.151 -22.261 -25.557 641 1HH1 ARG 79 HH11 ARG 79 -10.308 -22.140 -24.051 642 2HH1 ARG 79 HH12 ARG 79 -9.714 -22.576 -22.478 643 1HH2 ARG 79 HH21 ARG 79 -6.367 -22.839 -23.481 644 2HH2 ARG 79 HH22 ARG 79 -7.482 -22.944 -22.144 645 H ASN 80 HN ASN 80 -5.147 -19.455 -29.474 646 HA ASN 80 HA ASN 80 -5.000 -16.592 -29.505 647 1HB ASN 80 HB2 ASN 80 -3.937 -16.852 -31.713 648 2HB ASN 80 HB1 ASN 80 -3.195 -17.891 -30.507 649 1HD2 ASN 80 HD21 ASN 80 -4.779 -17.729 -33.514 650 2HD2 ASN 80 HD22 ASN 80 -4.820 -19.430 -33.839 651 HA PRO 81 HA PRO 81 -9.096 -16.218 -31.191 652 1HB PRO 81 HB2 PRO 81 -9.328 -13.565 -30.924 653 2HB PRO 81 HB1 PRO 81 -9.332 -14.637 -29.518 654 1HG PRO 81 HG2 PRO 81 -7.105 -12.971 -30.622 655 2HG PRO 81 HG1 PRO 81 -7.583 -13.223 -28.934 656 1HD PRO 81 HD2 PRO 81 -5.513 -14.545 -30.161 657 2HD PRO 81 HD1 PRO 81 -6.414 -15.183 -28.771 658 H SER 82 HN SER 82 -6.664 -16.236 -32.937 659 HA SER 82 HA SER 82 -6.853 -14.172 -34.861 660 1HB SER 82 HB2 SER 82 -5.865 -16.913 -35.548 661 2HB SER 82 HB1 SER 82 -5.184 -15.342 -35.973 662 HG SER 82 HG SER 82 -3.846 -15.963 -34.399 663 H ASP 83 HN ASP 83 -8.745 -16.924 -34.214 664 HA ASP 83 HA ASP 83 -9.763 -17.259 -36.895 665 1HB ASP 83 HB2 ASP 83 -9.563 -19.204 -35.414 666 2HB ASP 83 HB1 ASP 83 -10.667 -18.456 -34.265 667 H PHE 84 HN PHE 84 -10.597 -15.512 -34.018 668 HA PHE 84 HA PHE 84 -13.303 -14.957 -34.874 669 1HB PHE 84 HB2 PHE 84 -11.675 -13.782 -32.606 670 2HB PHE 84 HB1 PHE 84 -13.393 -13.502 -32.878 671 HD1 PHE 84 HD2 PHE 84 -14.909 -15.603 -32.916 672 HD2 PHE 84 HD1 PHE 84 -10.990 -15.527 -31.257 673 HE1 PHE 84 HE2 PHE 84 -15.441 -17.598 -31.578 674 HE2 PHE 84 HE1 PHE 84 -11.515 -17.523 -29.917 675 HZ PHE 84 HZ PHE 84 -13.744 -18.559 -30.075 676 H LYS 85 HN LYS 85 -13.613 -13.617 -36.507 677 HA LYS 85 HA LYS 85 -11.566 -11.870 -37.429 678 1HB LYS 85 HB2 LYS 85 -14.442 -12.143 -38.306 679 2HB LYS 85 HB1 LYS 85 -13.214 -11.219 -39.159 680 1HG LYS 85 HG2 LYS 85 -13.148 -14.189 -38.663 681 2HG LYS 85 HG1 LYS 85 -13.593 -13.406 -40.178 682 1HD LYS 85 HD2 LYS 85 -10.939 -12.828 -38.927 683 2HD LYS 85 HD1 LYS 85 -11.173 -14.322 -39.830 684 1HE LYS 85 HE2 LYS 85 -10.251 -12.676 -41.306 685 2HE LYS 85 HE1 LYS 85 -11.923 -12.969 -41.773 686 1HZ LYS 85 HZ1 LYS 85 -11.271 -10.603 -41.775 687 2HZ LYS 85 HZ2 LYS 85 -11.046 -10.680 -40.095 688 3HZ LYS 85 HZ3 LYS 85 -12.586 -10.931 -40.760 689 H ASN 86 HN ASN 86 -14.628 -11.352 -35.726 690 HA ASN 86 HA ASN 86 -14.182 -8.469 -35.799 691 1HB ASN 86 HB2 ASN 86 -16.467 -9.929 -34.460 692 2HB ASN 86 HB1 ASN 86 -16.382 -8.219 -34.863 693 1HD2 ASN 86 HD21 ASN 86 -17.053 -11.387 -35.969 694 2HD2 ASN 86 HD22 ASN 86 -17.595 -10.959 -37.567 695 H ALA 87 HN ALA 87 -14.560 -7.272 -33.689 696 HA ALA 87 HA ALA 87 -12.718 -8.399 -31.748 697 1HB ALA 87 HB1 ALA 87 -12.783 -6.191 -30.715 698 2HB ALA 87 HB2 ALA 87 -14.079 -5.709 -31.809 699 3HB ALA 87 HB3 ALA 87 -12.474 -6.067 -32.446 700 H ASP 88 HN ASP 88 -16.105 -8.020 -32.163 701 HA ASP 88 HA ASP 88 -16.922 -7.839 -29.477 702 1HB ASP 88 HB2 ASP 88 -18.382 -8.938 -31.882 703 2HB ASP 88 HB1 ASP 88 -19.129 -8.673 -30.309 704 H GLU 89 HN GLU 89 -16.670 -10.694 -31.613 705 HA GLU 89 HA GLU 89 -17.356 -12.620 -29.713 706 1HB GLU 89 HB2 GLU 89 -15.366 -12.909 -31.973 707 2HB GLU 89 HB1 GLU 89 -16.119 -14.234 -31.099 708 1HG GLU 89 HG2 GLU 89 -17.424 -14.174 -32.958 709 2HG GLU 89 HG1 GLU 89 -18.334 -13.093 -31.904 710 H ARG 90 HN ARG 90 -14.311 -11.003 -30.321 711 HA ARG 90 HA ARG 90 -12.697 -12.631 -28.656 712 1HB ARG 90 HB2 ARG 90 -12.329 -9.721 -29.398 713 2HB ARG 90 HB1 ARG 90 -11.088 -10.780 -28.735 714 1HG ARG 90 HG2 ARG 90 -11.201 -12.178 -30.720 715 2HG ARG 90 HG1 ARG 90 -12.475 -11.154 -31.381 716 1HD ARG 90 HD2 ARG 90 -10.908 -9.244 -31.340 717 2HD ARG 90 HD1 ARG 90 -9.637 -10.333 -30.783 718 HE ARG 90 HE ARG 90 -10.972 -11.101 -33.246 719 1HH1 ARG 90 HH11 ARG 90 -8.204 -9.462 -31.842 720 2HH1 ARG 90 HH12 ARG 90 -7.224 -9.640 -33.264 721 1HH2 ARG 90 HH21 ARG 90 -9.698 -11.328 -35.091 722 2HH2 ARG 90 HH22 ARG 90 -8.078 -10.689 -35.124 723 H ILE 91 HN ILE 91 -14.609 -9.726 -28.099 724 HA ILE 91 HA ILE 91 -13.883 -9.348 -25.382 725 HB ILE 91 HB ILE 91 -16.446 -8.559 -26.792 726 1HG1 ILE 91 HG12 ILE 91 -13.954 -6.922 -26.282 727 2HG1 ILE 91 HG11 ILE 91 -14.359 -7.666 -27.824 728 1HG2 ILE 91 HG21 ILE 91 -16.641 -6.862 -25.012 729 2HG2 ILE 91 HG22 ILE 91 -15.241 -7.573 -24.209 730 3HG2 ILE 91 HG23 ILE 91 -16.724 -8.511 -24.390 731 1HD1 ILE 91 HD11 ILE 91 -15.976 -5.562 -26.413 732 2HD1 ILE 91 HD12 ILE 91 -16.358 -6.293 -27.971 733 3HD1 ILE 91 HD13 ILE 91 -14.911 -5.301 -27.793 734 H ALA 92 HN ALA 92 -16.536 -11.045 -26.987 735 HA ALA 92 HA ALA 92 -17.950 -11.838 -24.705 736 1HB ALA 92 HB1 ALA 92 -17.775 -13.216 -27.382 737 2HB ALA 92 HB2 ALA 92 -18.897 -11.924 -26.949 738 3HB ALA 92 HB3 ALA 92 -19.010 -13.494 -26.154 739 H TYR 93 HN TYR 93 -15.339 -13.483 -26.492 740 HA TYR 93 HA TYR 93 -15.469 -15.842 -24.946 741 1HB TYR 93 HB2 TYR 93 -14.309 -15.735 -27.153 742 2HB TYR 93 HB1 TYR 93 -13.020 -14.805 -26.386 743 HD1 TYR 93 HD2 TYR 93 -14.853 -18.032 -26.068 744 HD2 TYR 93 HD1 TYR 93 -11.212 -15.927 -25.421 745 HE1 TYR 93 HE2 TYR 93 -13.795 -20.112 -25.298 746 HE2 TYR 93 HE1 TYR 93 -10.147 -17.999 -24.639 747 HH TYR 93 HH TYR 93 -10.866 -20.152 -23.638 748 H ILE 94 HN ILE 94 -13.648 -12.836 -24.531 749 HA ILE 94 HA ILE 94 -12.113 -13.767 -22.333 750 HB ILE 94 HB ILE 94 -12.914 -10.932 -23.043 751 1HG1 ILE 94 HG12 ILE 94 -10.350 -12.462 -23.570 752 2HG1 ILE 94 HG11 ILE 94 -11.588 -12.124 -24.772 753 1HG2 ILE 94 HG21 ILE 94 -12.279 -11.139 -20.685 754 2HG2 ILE 94 HG22 ILE 94 -11.076 -10.229 -21.598 755 3HG2 ILE 94 HG23 ILE 94 -10.765 -11.909 -21.160 756 1HD1 ILE 94 HD11 ILE 94 -9.892 -10.088 -23.341 757 2HD1 ILE 94 HD12 ILE 94 -11.159 -9.719 -24.508 758 3HD1 ILE 94 HD13 ILE 94 -9.722 -10.604 -25.019 759 H LEU 95 HN LEU 95 -15.284 -12.248 -22.598 760 HA LEU 95 HA LEU 95 -15.845 -12.013 -19.851 761 1HB LEU 95 HB2 LEU 95 -17.665 -12.492 -22.209 762 2HB LEU 95 HB1 LEU 95 -18.256 -12.207 -20.584 763 HG LEU 95 HG LEU 95 -16.617 -10.249 -22.204 764 1HD1 LEU 95 HD11 LEU 95 -19.550 -10.214 -21.507 765 2HD1 LEU 95 HD12 LEU 95 -18.890 -10.637 -23.085 766 3HD1 LEU 95 HD13 LEU 95 -18.673 -9.008 -22.449 767 1HD2 LEU 95 HD21 LEU 95 -18.016 -9.950 -19.548 768 2HD2 LEU 95 HD22 LEU 95 -17.181 -8.671 -20.430 769 3HD2 LEU 95 HD23 LEU 95 -16.272 -10.039 -19.791 770 H LYS 96 HN LYS 96 -15.798 -14.746 -21.986 771 HA LYS 96 HA LYS 96 -17.478 -16.486 -20.560 772 1HB LYS 96 HB2 LYS 96 -16.765 -16.841 -22.895 773 2HB LYS 96 HB1 LYS 96 -15.132 -17.170 -22.339 774 1HG LYS 96 HG2 LYS 96 -15.823 -19.181 -21.260 775 2HG LYS 96 HG1 LYS 96 -17.527 -18.800 -21.525 776 1HD LYS 96 HD2 LYS 96 -15.527 -19.250 -23.741 777 2HD LYS 96 HD1 LYS 96 -16.602 -20.499 -23.106 778 1HE LYS 96 HE2 LYS 96 -18.541 -19.192 -23.756 779 2HE LYS 96 HE1 LYS 96 -17.502 -17.883 -24.314 780 1HZ LYS 96 HZ1 LYS 96 -16.713 -19.201 -26.085 781 2HZ LYS 96 HZ2 LYS 96 -18.393 -19.408 -26.076 782 3HZ LYS 96 HZ3 LYS 96 -17.383 -20.618 -25.450 783 H GLN 97 HN GLN 97 -14.078 -15.659 -20.095 784 HA GLN 97 HA GLN 97 -13.659 -17.775 -18.192 785 1HB GLN 97 HB2 GLN 97 -12.034 -15.402 -19.030 786 2HB GLN 97 HB1 GLN 97 -11.622 -16.259 -17.551 787 1HG GLN 97 HG2 GLN 97 -10.277 -17.169 -19.262 788 2HG GLN 97 HG1 GLN 97 -11.524 -18.366 -18.912 789 1HE2 GLN 97 HE21 GLN 97 -11.962 -15.427 -20.739 790 2HE2 GLN 97 HE22 GLN 97 -12.308 -16.191 -22.254 791 H ILE 98 HN ILE 98 -14.662 -14.424 -18.067 792 HA ILE 98 HA ILE 98 -14.631 -14.136 -15.243 793 HB ILE 98 HB ILE 98 -16.518 -12.821 -17.213 794 1HG1 ILE 98 HG12 ILE 98 -13.793 -11.939 -16.231 795 2HG1 ILE 98 HG11 ILE 98 -14.185 -12.470 -17.863 796 1HG2 ILE 98 HG21 ILE 98 -15.648 -11.995 -14.443 797 2HG2 ILE 98 HG22 ILE 98 -17.244 -12.586 -14.905 798 3HG2 ILE 98 HG23 ILE 98 -16.662 -11.041 -15.526 799 1HD1 ILE 98 HD11 ILE 98 -14.015 -10.072 -17.786 800 2HD1 ILE 98 HD12 ILE 98 -15.210 -9.999 -16.491 801 3HD1 ILE 98 HD13 ILE 98 -15.686 -10.541 -18.099 802 H ASP 99 HN ASP 99 -16.918 -15.448 -17.531 803 HA ASP 99 HA ASP 99 -19.104 -15.876 -15.816 804 1HB ASP 99 HB2 ASP 99 -19.145 -16.001 -18.318 805 2HB ASP 99 HB1 ASP 99 -18.279 -17.528 -18.217 806 H ASN 100 HN ASN 100 -16.145 -17.606 -16.336 807 HA ASN 100 HA ASN 100 -16.987 -19.924 -14.801 808 1HB ASN 100 HB2 ASN 100 -14.487 -19.159 -16.276 809 2HB ASN 100 HB1 ASN 100 -14.439 -20.464 -15.095 810 1HD2 ASN 100 HD21 ASN 100 -15.825 -19.393 -18.132 811 2HD2 ASN 100 HD22 ASN 100 -16.298 -20.967 -18.676 812 H LYS 101 HN LYS 101 -14.516 -17.378 -14.504 813 HA LYS 101 HA LYS 101 -14.291 -18.041 -11.654 814 1HB LYS 101 HB2 LYS 101 -12.434 -16.483 -13.459 815 2HB LYS 101 HB1 LYS 101 -12.195 -16.681 -11.729 816 1HG LYS 101 HG2 LYS 101 -12.229 -18.873 -13.793 817 2HG LYS 101 HG1 LYS 101 -10.815 -18.240 -12.948 818 1HD LYS 101 HD2 LYS 101 -11.765 -19.001 -10.813 819 2HD LYS 101 HD1 LYS 101 -13.160 -19.653 -11.675 820 1HE LYS 101 HE2 LYS 101 -11.650 -21.140 -12.933 821 2HE LYS 101 HE1 LYS 101 -10.289 -20.519 -12.000 822 1HZ LYS 101 HZ1 LYS 101 -11.359 -21.360 -9.984 823 2HZ LYS 101 HZ2 LYS 101 -11.059 -22.604 -11.096 824 3HZ LYS 101 HZ3 LYS 101 -12.629 -21.995 -10.911 825 H GLY 102 HN GLY 102 -15.822 -16.972 -10.634 826 1HA GLY 102 HA2 GLY 102 -15.843 -14.499 -9.730 827 2HA GLY 102 HA1 GLY 102 -16.454 -14.218 -11.359 828 H GLU 103 HN GLU 103 -18.222 -15.908 -11.970 829 HA GLU 103 HA GLU 103 -19.798 -16.933 -9.816 830 1HB GLU 103 HB2 GLU 103 -20.485 -14.578 -9.709 831 2HB GLU 103 HB1 GLU 103 -20.925 -14.621 -11.411 832 1HG GLU 103 HG2 GLU 103 -22.655 -16.258 -10.947 833 2HG GLU 103 HG1 GLU 103 -22.188 -16.291 -9.249 834 H LEU 104 HN LEU 104 -19.532 -18.864 -10.963 835 HA LEU 104 HA LEU 104 -20.824 -19.073 -13.555 836 1HB LEU 104 HB2 LEU 104 -20.192 -21.473 -13.419 837 2HB LEU 104 HB1 LEU 104 -18.836 -20.371 -13.315 838 HG LEU 104 HG LEU 104 -19.155 -20.721 -10.718 839 1HD1 LEU 104 HD11 LEU 104 -20.302 -23.269 -11.854 840 2HD1 LEU 104 HD12 LEU 104 -21.184 -22.071 -10.907 841 3HD1 LEU 104 HD13 LEU 104 -19.868 -22.983 -10.168 842 1HD2 LEU 104 HD21 LEU 104 -17.152 -21.271 -11.991 843 2HD2 LEU 104 HD22 LEU 104 -17.896 -22.778 -12.526 844 3HD2 LEU 104 HD23 LEU 104 -17.526 -22.536 -10.819 845 H GLU 105 HN GLU 105 -21.441 -19.691 -10.214 846 HA GLU 105 HA GLU 105 -24.130 -20.660 -10.861 847 1HB GLU 105 HB2 GLU 105 -22.800 -21.932 -9.163 848 2HB GLU 105 HB1 GLU 105 -22.768 -20.488 -8.160 849 1HG GLU 105 HG2 GLU 105 -24.464 -22.048 -7.400 850 2HG GLU 105 HG1 GLU 105 -25.193 -20.548 -7.973 851 H HIS 106 HN HIS 106 -25.342 -18.933 -11.350 852 HA HIS 106 HA HIS 106 -24.727 -16.321 -10.496 853 1HB HIS 106 HB2 HIS 106 -25.908 -16.757 -12.594 854 2HB HIS 106 HB1 HIS 106 -27.299 -17.361 -11.699 855 HD1 HIS 106 HD1 HIS 106 -25.261 -14.119 -11.609 856 HD2 HIS 106 HD2 HIS 106 -29.204 -15.457 -11.574 857 HE1 HIS 106 HE1 HIS 106 -26.687 -12.048 -11.547 858 HE2 HIS 106 HE2 HIS 106 -29.042 -12.890 -11.246 859 H HIS 107 HN HIS 107 -25.054 -15.385 -8.654 860 HA HIS 107 HA HIS 107 -27.072 -16.397 -6.790 861 1HB HIS 107 HB2 HIS 107 -25.079 -14.150 -6.377 862 2HB HIS 107 HB1 HIS 107 -26.000 -14.992 -5.139 863 HD1 HIS 107 HD1 HIS 107 -22.914 -15.208 -7.185 864 HD2 HIS 107 HD2 HIS 107 -25.017 -17.574 -4.484 865 HE1 HIS 107 HE1 HIS 107 -21.325 -17.036 -6.497 866 HE2 HIS 107 HE2 HIS 107 -22.549 -18.323 -4.705 867 H HIS 108 HN HIS 108 -28.610 -14.850 -5.814 868 HA HIS 108 HA HIS 108 -29.287 -12.725 -7.702 869 1HB HIS 108 HB2 HIS 108 -31.357 -12.427 -6.258 870 2HB HIS 108 HB1 HIS 108 -31.236 -13.930 -7.156 871 HD1 HIS 108 HD1 HIS 108 -31.260 -12.557 -3.673 872 HD2 HIS 108 HD2 HIS 108 -31.044 -16.238 -5.602 873 HE1 HIS 108 HE1 HIS 108 -31.679 -14.285 -1.894 874 HE2 HIS 108 HE2 HIS 108 -31.713 -16.490 -3.118 875 H HIS 109 HN HIS 109 -27.273 -11.737 -7.089 876 HA HIS 109 HA HIS 109 -27.457 -10.159 -4.606 877 1HB HIS 109 HB2 HIS 109 -25.546 -11.871 -4.922 878 2HB HIS 109 HB1 HIS 109 -24.912 -10.746 -6.116 879 HD1 HIS 109 HD1 HIS 109 -23.045 -9.480 -5.109 880 HD2 HIS 109 HD2 HIS 109 -26.113 -10.166 -2.385 881 HE1 HIS 109 HE1 HIS 109 -22.311 -8.388 -2.967 882 HE2 HIS 109 HE2 HIS 109 -24.044 -9.093 -1.273 883 H HIS 110 HN HIS 110 -26.197 -10.130 -7.927 884 HA HIS 110 HA HIS 110 -26.421 -7.224 -8.059 885 1HB HIS 110 HB2 HIS 110 -24.463 -8.205 -9.098 886 2HB HIS 110 HB1 HIS 110 -25.460 -9.300 -10.044 887 HD1 HIS 110 HD1 HIS 110 -25.203 -8.597 -12.400 888 HD2 HIS 110 HD2 HIS 110 -25.629 -5.338 -9.853 889 HE1 HIS 110 HE1 HIS 110 -25.297 -6.578 -13.895 890 HE2 HIS 110 HE2 HIS 110 -25.272 -4.620 -12.313 891 H HIS 111 HN HIS 111 -28.060 -10.104 -9.055 892 HA HIS 111 HA HIS 111 -30.441 -8.706 -9.692 893 1HB HIS 111 HB2 HIS 111 -29.333 -8.232 -11.792 894 2HB HIS 111 HB1 HIS 111 -28.864 -9.920 -11.974 895 HD1 HIS 111 HD1 HIS 111 -30.204 -10.986 -13.718 896 HD2 HIS 111 HD2 HIS 111 -32.430 -8.216 -11.562 897 HE1 HIS 111 HE1 HIS 111 -32.527 -11.083 -14.686 898 HE2 HIS 111 HE2 HIS 111 -33.823 -9.297 -13.458 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -5.605 -1.339 3.826 2 2H MET 1 HT2 MET 1 -4.245 -0.855 2.953 3 3H MET 1 HT3 MET 1 -4.878 -2.416 2.737 4 HA MET 1 HA MET 1 -6.202 0.138 2.020 5 1HB MET 1 HB2 MET 1 -4.989 -2.057 0.336 6 2HB MET 1 HB1 MET 1 -6.047 -0.812 -0.311 7 1HG MET 1 HG2 MET 1 -4.457 0.903 0.379 8 2HG MET 1 HG1 MET 1 -3.398 -0.344 1.036 9 1HE MET 1 HE1 MET 1 -1.539 0.964 -2.196 10 2HE MET 1 HE2 MET 1 -1.439 0.771 -0.446 11 3HE MET 1 HE3 MET 1 -2.577 1.924 -1.142 12 H PHE 2 HN PHE 2 -8.014 -0.485 3.282 13 HA PHE 2 HA PHE 2 -9.618 -2.628 2.042 14 1HB PHE 2 HB2 PHE 2 -9.699 -1.749 4.939 15 2HB PHE 2 HB1 PHE 2 -10.627 -3.058 4.217 16 HD1 PHE 2 HD2 PHE 2 -9.282 -5.015 3.207 17 HD2 PHE 2 HD1 PHE 2 -7.653 -2.179 5.930 18 HE1 PHE 2 HE2 PHE 2 -7.487 -6.598 3.778 19 HE2 PHE 2 HE1 PHE 2 -5.855 -3.756 6.501 20 HZ PHE 2 HZ PHE 2 -5.771 -5.967 5.426 21 H THR 3 HN THR 3 -11.237 -1.731 0.917 22 HA THR 3 HA THR 3 -12.435 0.734 1.984 23 HB THR 3 HB THR 3 -13.325 1.052 -0.379 24 HG1 THR 3 HG1 THR 3 -11.965 -1.290 -0.697 25 1HG2 THR 3 HG21 THR 3 -11.227 2.025 -1.188 26 2HG2 THR 3 HG22 THR 3 -10.339 1.127 0.043 27 3HG2 THR 3 HG23 THR 3 -11.485 2.378 0.520 28 H ALA 4 HN ALA 4 -14.393 0.605 2.781 29 HA ALA 4 HA ALA 4 -16.059 -1.723 2.089 30 1HB ALA 4 HB1 ALA 4 -16.172 0.052 4.526 31 2HB ALA 4 HB2 ALA 4 -15.461 -1.560 4.454 32 3HB ALA 4 HB3 ALA 4 -17.196 -1.350 4.217 33 H LYS 5 HN LYS 5 -17.886 -1.390 0.990 34 HA LYS 5 HA LYS 5 -18.933 1.360 0.877 35 1HB LYS 5 HB2 LYS 5 -17.894 0.779 -1.234 36 2HB LYS 5 HB1 LYS 5 -18.807 -0.720 -1.311 37 1HG LYS 5 HG2 LYS 5 -20.843 0.439 -1.699 38 2HG LYS 5 HG1 LYS 5 -20.100 1.996 -1.324 39 1HD LYS 5 HD2 LYS 5 -20.410 1.599 -3.762 40 2HD LYS 5 HD1 LYS 5 -18.730 1.882 -3.300 41 1HE LYS 5 HE2 LYS 5 -18.332 -0.538 -3.320 42 2HE LYS 5 HE1 LYS 5 -20.004 -0.806 -3.809 43 1HZ LYS 5 HZ1 LYS 5 -18.003 0.736 -5.383 44 2HZ LYS 5 HZ2 LYS 5 -19.581 0.346 -5.866 45 3HZ LYS 5 HZ3 LYS 5 -18.428 -0.880 -5.674 46 H LEU 6 HN LEU 6 -20.829 1.527 1.821 47 HA LEU 6 HA LEU 6 -22.503 -0.663 2.491 48 1HB LEU 6 HB2 LEU 6 -22.381 1.560 3.678 49 2HB LEU 6 HB1 LEU 6 -23.243 2.270 2.332 50 HG LEU 6 HG LEU 6 -24.589 1.737 4.421 51 1HD1 LEU 6 HD11 LEU 6 -25.505 0.564 1.805 52 2HD1 LEU 6 HD12 LEU 6 -25.663 2.245 2.313 53 3HD1 LEU 6 HD13 LEU 6 -26.542 0.979 3.170 54 1HD2 LEU 6 HD21 LEU 6 -23.650 -0.445 4.905 55 2HD2 LEU 6 HD22 LEU 6 -24.282 -1.073 3.383 56 3HD2 LEU 6 HD23 LEU 6 -25.392 -0.556 4.652 57 H ILE 7 HN ILE 7 -24.028 -1.665 1.301 58 HA ILE 7 HA ILE 7 -24.648 -0.472 -1.325 59 HB ILE 7 HB ILE 7 -24.811 -2.711 -2.252 60 1HG1 ILE 7 HG12 ILE 7 -23.778 -3.821 0.350 61 2HG1 ILE 7 HG11 ILE 7 -25.503 -3.737 0.007 62 1HG2 ILE 7 HG21 ILE 7 -22.247 -2.321 -0.730 63 2HG2 ILE 7 HG22 ILE 7 -22.657 -1.563 -2.269 64 3HG2 ILE 7 HG23 ILE 7 -22.461 -3.313 -2.173 65 1HD1 ILE 7 HD11 ILE 7 -25.224 -5.182 -1.905 66 2HD1 ILE 7 HD12 ILE 7 -24.540 -5.940 -0.467 67 3HD1 ILE 7 HD13 ILE 7 -23.480 -5.204 -1.669 68 H LYS 8 HN LYS 8 -25.935 -2.157 1.455 69 HA LYS 8 HA LYS 8 -28.629 -2.016 0.276 70 1HB LYS 8 HB2 LYS 8 -27.745 -4.292 0.861 71 2HB LYS 8 HB1 LYS 8 -27.658 -3.773 2.527 72 1HG LYS 8 HG2 LYS 8 -30.088 -3.451 2.554 73 2HG LYS 8 HG1 LYS 8 -30.164 -4.030 0.886 74 1HD LYS 8 HD2 LYS 8 -29.198 -6.169 1.584 75 2HD LYS 8 HD1 LYS 8 -29.111 -5.592 3.247 76 1HE LYS 8 HE2 LYS 8 -31.037 -7.018 2.986 77 2HE LYS 8 HE1 LYS 8 -31.567 -5.359 3.262 78 1HZ LYS 8 HZ1 LYS 8 -32.103 -5.110 0.987 79 2HZ LYS 8 HZ2 LYS 8 -32.769 -6.589 1.468 80 3HZ LYS 8 HZ3 LYS 8 -31.339 -6.562 0.558 81 H GLY 9 HN GLY 9 -29.439 -0.106 0.942 82 1HA GLY 9 HA2 GLY 9 -30.638 0.544 3.148 83 2HA GLY 9 HA1 GLY 9 -28.988 0.704 3.729 84 H LYS 10 HN LYS 10 -28.168 2.687 3.645 85 HA LYS 10 HA LYS 10 -28.484 4.545 1.577 86 1HB LYS 10 HB2 LYS 10 -30.864 4.434 2.506 87 2HB LYS 10 HB1 LYS 10 -30.225 5.176 3.962 88 1HG LYS 10 HG2 LYS 10 -29.523 7.126 2.659 89 2HG LYS 10 HG1 LYS 10 -30.185 6.379 1.200 90 1HD LYS 10 HD2 LYS 10 -32.399 6.283 2.350 91 2HD LYS 10 HD1 LYS 10 -31.695 7.213 3.672 92 1HE LYS 10 HE2 LYS 10 -31.174 9.023 2.077 93 2HE LYS 10 HE1 LYS 10 -31.962 8.094 0.800 94 1HZ LYS 10 HZ1 LYS 10 -33.230 9.180 3.253 95 2HZ LYS 10 HZ2 LYS 10 -34.006 8.141 2.164 96 3HZ LYS 10 HZ3 LYS 10 -33.512 9.680 1.656 97 H THR 11 HN THR 11 -28.719 4.798 5.120 98 HA THR 11 HA THR 11 -25.958 5.769 5.215 99 HB THR 11 HB THR 11 -28.162 7.087 6.811 100 HG1 THR 11 HG1 THR 11 -28.494 8.440 5.187 101 1HG2 THR 11 HG21 THR 11 -25.895 7.287 7.713 102 2HG2 THR 11 HG22 THR 11 -26.479 8.843 7.125 103 3HG2 THR 11 HG23 THR 11 -25.328 7.913 6.165 104 H TYR 12 HN TYR 12 -24.835 4.679 6.706 105 HA TYR 12 HA TYR 12 -26.307 3.338 8.885 106 1HB TYR 12 HB2 TYR 12 -25.601 1.865 6.893 107 2HB TYR 12 HB1 TYR 12 -23.953 2.110 7.454 108 HD1 TYR 12 HD1 TYR 12 -27.246 0.718 8.390 109 HD2 TYR 12 HD2 TYR 12 -23.089 0.860 9.275 110 HE1 TYR 12 HE1 TYR 12 -27.517 -1.174 9.935 111 HE2 TYR 12 HE2 TYR 12 -23.351 -1.030 10.826 112 HH TYR 12 HH TYR 12 -25.104 -2.100 12.148 113 H ASN 13 HN ASN 13 -25.147 3.135 10.863 114 HA ASN 13 HA ASN 13 -22.694 4.777 10.971 115 1HB ASN 13 HB2 ASN 13 -24.666 4.468 13.237 116 2HB ASN 13 HB1 ASN 13 -23.348 5.625 13.105 117 1HD2 ASN 13 HD21 ASN 13 -26.553 4.799 12.111 118 2HD2 ASN 13 HD22 ASN 13 -26.968 6.340 11.427 119 H VAL 14 HN VAL 14 -20.962 3.578 11.440 120 HA VAL 14 HA VAL 14 -21.324 1.290 13.270 121 HB VAL 14 HB VAL 14 -19.166 1.628 11.176 122 1HG1 VAL 14 HG11 VAL 14 -19.762 -0.682 13.025 123 2HG1 VAL 14 HG12 VAL 14 -18.377 0.404 13.126 124 3HG1 VAL 14 HG13 VAL 14 -18.550 -0.676 11.743 125 1HG2 VAL 14 HG21 VAL 14 -21.319 1.150 10.151 126 2HG2 VAL 14 HG22 VAL 14 -21.550 -0.222 11.234 127 3HG2 VAL 14 HG23 VAL 14 -20.256 -0.253 10.036 128 H MET 15 HN MET 15 -20.875 2.131 15.197 129 HA MET 15 HA MET 15 -19.692 2.892 16.957 130 1HB MET 15 HB2 MET 15 -17.306 2.440 15.156 131 2HB MET 15 HB1 MET 15 -17.220 2.759 16.882 132 1HG MET 15 HG2 MET 15 -18.461 0.702 17.327 133 2HG MET 15 HG1 MET 15 -18.549 0.382 15.597 134 1HE MET 15 HE1 MET 15 -17.512 -2.026 15.889 135 2HE MET 15 HE2 MET 15 -17.473 -1.768 17.634 136 3HE MET 15 HE3 MET 15 -16.034 -2.352 16.795 137 H GLY 16 HN GLY 16 -17.385 4.255 14.661 138 1HA GLY 16 HA2 GLY 16 -18.460 6.929 15.293 139 2HA GLY 16 HA1 GLY 16 -16.736 6.594 15.385 140 H ILE 17 HN ILE 17 -18.188 4.866 12.886 141 HA ILE 17 HA ILE 17 -17.355 6.921 10.944 142 HB ILE 17 HB ILE 17 -17.114 3.919 10.623 143 1HG1 ILE 17 HG12 ILE 17 -14.621 4.620 10.341 144 2HG1 ILE 17 HG11 ILE 17 -15.100 6.079 11.196 145 1HG2 ILE 17 HG21 ILE 17 -17.676 5.009 8.525 146 2HG2 ILE 17 HG22 ILE 17 -16.009 4.432 8.498 147 3HG2 ILE 17 HG23 ILE 17 -16.346 6.147 8.743 148 1HD1 ILE 17 HD11 ILE 17 -14.125 4.454 12.703 149 2HD1 ILE 17 HD12 ILE 17 -15.338 3.264 12.234 150 3HD1 ILE 17 HD13 ILE 17 -15.822 4.726 13.094 151 H THR 18 HN THR 18 -18.881 7.570 9.580 152 HA THR 18 HA THR 18 -21.398 6.081 9.489 153 HB THR 18 HB THR 18 -20.832 8.870 8.464 154 HG1 THR 18 HG1 THR 18 -21.216 7.905 11.022 155 1HG2 THR 18 HG21 THR 18 -23.269 9.128 8.589 156 2HG2 THR 18 HG22 THR 18 -23.419 7.450 9.114 157 3HG2 THR 18 HG23 THR 18 -22.819 7.818 7.497 158 H PHE 19 HN PHE 19 -21.993 5.002 7.722 159 HA PHE 19 HA PHE 19 -20.406 5.325 5.268 160 1HB PHE 19 HB2 PHE 19 -21.995 2.941 6.247 161 2HB PHE 19 HB1 PHE 19 -21.132 3.020 4.715 162 HD1 PHE 19 HD1 PHE 19 -18.713 2.966 4.648 163 HD2 PHE 19 HD2 PHE 19 -20.833 2.644 8.320 164 HE1 PHE 19 HE1 PHE 19 -16.680 2.127 5.742 165 HE2 PHE 19 HE2 PHE 19 -18.802 1.807 9.424 166 HZ PHE 19 HZ PHE 19 -16.722 1.546 8.137 167 H ARG 20 HN ARG 20 -21.415 5.744 3.370 168 HA ARG 20 HA ARG 20 -24.356 5.888 3.424 169 1HB ARG 20 HB2 ARG 20 -22.473 7.526 1.716 170 2HB ARG 20 HB1 ARG 20 -24.225 7.669 1.762 171 1HG ARG 20 HG2 ARG 20 -24.073 8.358 4.127 172 2HG ARG 20 HG1 ARG 20 -22.314 8.296 4.003 173 1HD ARG 20 HD2 ARG 20 -24.198 10.113 2.510 174 2HD ARG 20 HD1 ARG 20 -23.008 10.570 3.728 175 HE ARG 20 HE ARG 20 -22.383 9.630 1.003 176 1HH1 ARG 20 HH11 ARG 20 -21.507 11.369 3.912 177 2HH1 ARG 20 HH12 ARG 20 -20.044 12.012 3.232 178 1HH2 ARG 20 HH21 ARG 20 -20.476 10.458 0.114 179 2HH2 ARG 20 HH22 ARG 20 -19.440 11.480 1.064 180 H ALA 21 HN ALA 21 -25.483 4.984 1.748 181 HA ALA 21 HA ALA 21 -24.429 2.779 0.428 182 1HB ALA 21 HB1 ALA 21 -26.825 3.149 0.811 183 2HB ALA 21 HB2 ALA 21 -26.475 2.751 -0.873 184 3HB ALA 21 HB3 ALA 21 -26.813 4.419 -0.413 185 H GLY 22 HN GLY 22 -22.957 2.667 -1.116 186 1HA GLY 22 HA2 GLY 22 -22.387 2.955 -3.417 187 2HA GLY 22 HA1 GLY 22 -23.166 4.529 -3.381 188 H VAL 23 HN VAL 23 -21.405 4.352 -0.602 189 HA VAL 23 HA VAL 23 -19.131 5.707 -1.894 190 HB VAL 23 HB VAL 23 -20.041 5.981 0.973 191 1HG1 VAL 23 HG11 VAL 23 -18.551 7.927 1.004 192 2HG1 VAL 23 HG12 VAL 23 -18.050 7.566 -0.649 193 3HG1 VAL 23 HG13 VAL 23 -17.672 6.438 0.654 194 1HG2 VAL 23 HG21 VAL 23 -20.902 8.177 0.313 195 2HG2 VAL 23 HG22 VAL 23 -21.729 6.872 -0.537 196 3HG2 VAL 23 HG23 VAL 23 -20.500 7.826 -1.368 197 H SER 24 HN SER 24 -17.377 4.499 -2.025 198 HA SER 24 HA SER 24 -16.843 2.346 -0.173 199 1HB SER 24 HB2 SER 24 -14.893 3.411 -2.209 200 2HB SER 24 HB1 SER 24 -15.079 1.759 -1.616 201 HG SER 24 HG SER 24 -16.800 3.202 -3.349 202 H GLN 25 HN GLN 25 -16.173 2.899 1.807 203 HA GLN 25 HA GLN 25 -14.349 5.198 2.080 204 1HB GLN 25 HB2 GLN 25 -16.219 3.966 4.114 205 2HB GLN 25 HB1 GLN 25 -15.173 5.352 4.398 206 1HG GLN 25 HG2 GLN 25 -16.381 6.659 2.782 207 2HG GLN 25 HG1 GLN 25 -17.359 5.265 2.335 208 1HE2 GLN 25 HE21 GLN 25 -16.478 5.988 5.632 209 2HE2 GLN 25 HE22 GLN 25 -18.066 6.424 6.160 210 H THR 26 HN THR 26 -12.427 4.962 3.123 211 HA THR 26 HA THR 26 -11.366 2.331 3.420 212 HB THR 26 HB THR 26 -9.420 3.690 4.513 213 HG1 THR 26 HG1 THR 26 -9.514 5.851 4.273 214 1HG2 THR 26 HG21 THR 26 -9.329 2.716 2.276 215 2HG2 THR 26 HG22 THR 26 -8.592 4.317 2.289 216 3HG2 THR 26 HG23 THR 26 -10.213 4.098 1.627 217 H VAL 27 HN VAL 27 -11.531 1.040 5.115 218 HA VAL 27 HA VAL 27 -12.359 2.232 7.679 219 HB VAL 27 HB VAL 27 -13.453 0.106 8.210 220 1HG1 VAL 27 HG11 VAL 27 -14.292 1.236 5.544 221 2HG1 VAL 27 HG12 VAL 27 -14.753 1.853 7.132 222 3HG1 VAL 27 HG13 VAL 27 -15.300 0.259 6.613 223 1HG2 VAL 27 HG21 VAL 27 -12.637 -0.731 5.426 224 2HG2 VAL 27 HG22 VAL 27 -13.731 -1.624 6.481 225 3HG2 VAL 27 HG23 VAL 27 -12.040 -1.414 6.939 226 HA PRO 28 HA PRO 28 -8.884 0.378 9.777 227 1HB PRO 28 HB2 PRO 28 -10.809 -0.497 11.849 228 2HB PRO 28 HB1 PRO 28 -9.383 0.533 12.006 229 1HG PRO 28 HG2 PRO 28 -11.852 1.550 12.149 230 2HG PRO 28 HG1 PRO 28 -10.528 2.441 11.372 231 1HD PRO 28 HD2 PRO 28 -12.761 0.889 10.124 232 2HD PRO 28 HD1 PRO 28 -12.045 2.435 9.622 233 H LYS 29 HN LYS 29 -8.002 -1.647 10.168 234 HA LYS 29 HA LYS 29 -8.963 -3.740 8.583 235 1HB LYS 29 HB2 LYS 29 -6.613 -3.442 9.160 236 2HB LYS 29 HB1 LYS 29 -6.961 -3.794 10.843 237 1HG LYS 29 HG2 LYS 29 -7.309 -6.059 10.423 238 2HG LYS 29 HG1 LYS 29 -7.527 -5.798 8.690 239 1HD LYS 29 HD2 LYS 29 -5.333 -6.808 9.264 240 2HD LYS 29 HD1 LYS 29 -5.194 -5.262 8.425 241 1HE LYS 29 HE2 LYS 29 -5.005 -4.214 10.745 242 2HE LYS 29 HE1 LYS 29 -4.757 -5.855 11.340 243 1HZ LYS 29 HZ1 LYS 29 -3.094 -4.514 9.277 244 2HZ LYS 29 HZ2 LYS 29 -2.838 -6.067 9.906 245 3HZ LYS 29 HZ3 LYS 29 -2.663 -4.706 10.909 246 H LYS 30 HN LYS 30 -9.491 -3.038 11.972 247 HA LYS 30 HA LYS 30 -10.591 -5.532 12.724 248 1HB LYS 30 HB2 LYS 30 -11.124 -2.759 13.799 249 2HB LYS 30 HB1 LYS 30 -11.684 -4.241 14.556 250 1HG LYS 30 HG2 LYS 30 -9.379 -4.944 14.918 251 2HG LYS 30 HG1 LYS 30 -8.804 -3.473 14.126 252 1HD LYS 30 HD2 LYS 30 -9.907 -2.118 15.838 253 2HD LYS 30 HD1 LYS 30 -10.494 -3.585 16.623 254 1HE LYS 30 HE2 LYS 30 -8.225 -4.274 17.106 255 2HE LYS 30 HE1 LYS 30 -7.588 -2.880 16.230 256 1HZ LYS 30 HZ1 LYS 30 -9.287 -2.741 18.667 257 2HZ LYS 30 HZ2 LYS 30 -8.621 -1.422 17.837 258 3HZ LYS 30 HZ3 LYS 30 -7.604 -2.522 18.636 259 H LEU 31 HN LEU 31 -12.027 -2.576 11.406 260 HA LEU 31 HA LEU 31 -14.705 -3.558 11.652 261 1HB LEU 31 HB2 LEU 31 -13.573 -1.146 10.242 262 2HB LEU 31 HB1 LEU 31 -15.287 -1.514 10.310 263 HG LEU 31 HG LEU 31 -13.489 -0.879 12.651 264 1HD1 LEU 31 HD11 LEU 31 -14.926 1.082 12.885 265 2HD1 LEU 31 HD12 LEU 31 -15.807 0.608 11.431 266 3HD1 LEU 31 HD13 LEU 31 -14.107 1.059 11.323 267 1HD2 LEU 31 HD21 LEU 31 -15.119 -2.570 13.282 268 2HD2 LEU 31 HD22 LEU 31 -16.419 -1.588 12.606 269 3HD2 LEU 31 HD23 LEU 31 -15.521 -1.014 14.011 270 H TYR 32 HN TYR 32 -12.233 -3.786 9.261 271 HA TYR 32 HA TYR 32 -13.800 -4.214 6.975 272 1HB TYR 32 HB2 TYR 32 -11.329 -3.926 6.952 273 2HB TYR 32 HB1 TYR 32 -11.162 -5.530 7.658 274 HD1 TYR 32 HD2 TYR 32 -12.548 -3.770 4.683 275 HD2 TYR 32 HD1 TYR 32 -11.002 -7.405 6.266 276 HE1 TYR 32 HE2 TYR 32 -12.552 -4.745 2.428 277 HE2 TYR 32 HE1 TYR 32 -11.002 -8.391 4.012 278 HH TYR 32 HH TYR 32 -12.180 -8.046 1.846 279 H GLU 33 HN GLU 33 -12.563 -6.520 9.386 280 HA GLU 33 HA GLU 33 -13.954 -8.740 8.243 281 1HB GLU 33 HB2 GLU 33 -11.919 -8.999 9.640 282 2HB GLU 33 HB1 GLU 33 -12.833 -8.442 11.036 283 1HG GLU 33 HG2 GLU 33 -14.340 -10.352 10.806 284 2HG GLU 33 HG1 GLU 33 -13.406 -10.917 9.424 285 H TYR 34 HN TYR 34 -14.594 -6.399 10.761 286 HA TYR 34 HA TYR 34 -16.864 -7.548 11.918 287 1HB TYR 34 HB2 TYR 34 -15.656 -5.629 12.877 288 2HB TYR 34 HB1 TYR 34 -16.201 -4.618 11.546 289 HD1 TYR 34 HD1 TYR 34 -17.333 -6.502 14.521 290 HD2 TYR 34 HD2 TYR 34 -18.335 -3.586 11.591 291 HE1 TYR 34 HE1 TYR 34 -19.332 -5.895 15.817 292 HE2 TYR 34 HE2 TYR 34 -20.337 -2.971 12.878 293 HH TYR 34 HH TYR 34 -21.815 -3.924 14.551 294 H LEU 35 HN LEU 35 -16.447 -5.763 8.941 295 HA LEU 35 HA LEU 35 -19.328 -5.690 8.498 296 1HB LEU 35 HB2 LEU 35 -17.058 -4.625 6.819 297 2HB LEU 35 HB1 LEU 35 -18.762 -4.419 6.460 298 HG LEU 35 HG LEU 35 -17.306 -3.298 8.857 299 1HD1 LEU 35 HD11 LEU 35 -17.747 -1.135 7.824 300 2HD1 LEU 35 HD12 LEU 35 -18.488 -1.940 6.441 301 3HD1 LEU 35 HD13 LEU 35 -16.769 -2.157 6.770 302 1HD2 LEU 35 HD21 LEU 35 -19.414 -2.139 9.336 303 2HD2 LEU 35 HD22 LEU 35 -19.592 -3.891 9.432 304 3HD2 LEU 35 HD23 LEU 35 -20.190 -3.020 8.021 305 H ASN 36 HN ASN 36 -16.630 -7.650 7.746 306 HA ASN 36 HA ASN 36 -17.583 -8.791 5.321 307 1HB ASN 36 HB2 ASN 36 -15.222 -8.969 6.140 308 2HB ASN 36 HB1 ASN 36 -15.779 -10.080 7.385 309 1HD2 ASN 36 HD21 ASN 36 -16.325 -12.182 6.826 310 2HD2 ASN 36 HD22 ASN 36 -15.967 -12.848 5.268 311 H GLU 37 HN GLU 37 -18.165 -9.347 8.682 312 HA GLU 37 HA GLU 37 -19.831 -11.683 8.189 313 1HB GLU 37 HB2 GLU 37 -20.164 -11.558 10.685 314 2HB GLU 37 HB1 GLU 37 -18.492 -11.768 10.174 315 1HG GLU 37 HG2 GLU 37 -18.204 -9.294 10.411 316 2HG GLU 37 HG1 GLU 37 -19.811 -9.242 11.133 317 H ASN 38 HN ASN 38 -20.268 -8.621 7.518 318 HA ASN 38 HA ASN 38 -22.993 -8.447 8.623 319 1HB ASN 38 HB2 ASN 38 -21.131 -6.711 9.256 320 2HB ASN 38 HB1 ASN 38 -21.467 -6.051 7.658 321 1HD2 ASN 38 HD21 ASN 38 -22.177 -4.144 8.694 322 2HD2 ASN 38 HD22 ASN 38 -23.756 -4.060 9.395 323 HA PRO 39 HA PRO 39 -23.616 -9.394 4.349 324 1HB PRO 39 HB2 PRO 39 -26.216 -10.022 4.479 325 2HB PRO 39 HB1 PRO 39 -24.972 -11.027 5.234 326 1HG PRO 39 HG2 PRO 39 -26.764 -8.976 6.485 327 2HG PRO 39 HG1 PRO 39 -26.364 -10.607 7.058 328 1HD PRO 39 HD2 PRO 39 -25.157 -8.358 8.000 329 2HD PRO 39 HD1 PRO 39 -24.351 -9.938 7.934 330 H TYR 40 HN TYR 40 -23.723 -6.485 4.912 331 HA TYR 40 HA TYR 40 -25.302 -5.924 2.556 332 1HB TYR 40 HB2 TYR 40 -26.168 -3.757 3.777 333 2HB TYR 40 HB1 TYR 40 -27.056 -5.270 3.831 334 HD1 TYR 40 HD1 TYR 40 -25.036 -2.889 5.746 335 HD2 TYR 40 HD2 TYR 40 -27.285 -6.492 5.883 336 HE1 TYR 40 HE1 TYR 40 -25.115 -2.739 8.201 337 HE2 TYR 40 HE2 TYR 40 -27.366 -6.361 8.337 338 HH TYR 40 HH TYR 40 -26.349 -3.541 10.072 339 H PHE 41 HN PHE 41 -22.450 -5.925 3.380 340 HA PHE 41 HA PHE 41 -21.860 -3.264 2.270 341 1HB PHE 41 HB2 PHE 41 -20.374 -4.805 4.397 342 2HB PHE 41 HB1 PHE 41 -19.581 -3.566 3.435 343 HD1 PHE 41 HD2 PHE 41 -22.183 -4.200 5.961 344 HD2 PHE 41 HD1 PHE 41 -19.962 -1.259 3.833 345 HE1 PHE 41 HE2 PHE 41 -22.965 -2.475 7.534 346 HE2 PHE 41 HE1 PHE 41 -20.737 0.470 5.400 347 HZ PHE 41 HZ PHE 41 -22.242 -0.136 7.254 348 H ILE 42 HN ILE 42 -20.617 -3.278 0.436 349 HA ILE 42 HA ILE 42 -19.374 -5.823 -0.327 350 HB ILE 42 HB ILE 42 -19.860 -3.288 -1.890 351 1HG1 ILE 42 HG12 ILE 42 -20.633 -6.177 -2.358 352 2HG1 ILE 42 HG11 ILE 42 -21.695 -4.919 -1.731 353 1HG2 ILE 42 HG21 ILE 42 -18.674 -4.318 -3.783 354 2HG2 ILE 42 HG22 ILE 42 -18.173 -5.646 -2.735 355 3HG2 ILE 42 HG23 ILE 42 -17.594 -4.010 -2.423 356 1HD1 ILE 42 HD11 ILE 42 -21.492 -3.707 -3.845 357 2HD1 ILE 42 HD12 ILE 42 -22.129 -5.336 -4.077 358 3HD1 ILE 42 HD13 ILE 42 -20.446 -4.982 -4.469 359 H LEU 43 HN LEU 43 -17.440 -6.183 0.342 360 HA LEU 43 HA LEU 43 -15.718 -3.950 1.119 361 1HB LEU 43 HB2 LEU 43 -15.580 -6.893 1.767 362 2HB LEU 43 HB1 LEU 43 -14.485 -5.667 2.385 363 HG LEU 43 HG LEU 43 -17.440 -5.450 2.863 364 1HD1 LEU 43 HD11 LEU 43 -17.150 -6.620 4.964 365 2HD1 LEU 43 HD12 LEU 43 -15.466 -6.960 4.561 366 3HD1 LEU 43 HD13 LEU 43 -16.767 -7.675 3.606 367 1HD2 LEU 43 HD21 LEU 43 -15.007 -4.491 4.367 368 2HD2 LEU 43 HD22 LEU 43 -16.686 -4.197 4.823 369 3HD2 LEU 43 HD23 LEU 43 -16.043 -3.506 3.333 370 H THR 44 HN THR 44 -14.472 -3.310 -0.487 371 HA THR 44 HA THR 44 -13.228 -5.320 -2.216 372 HB THR 44 HB THR 44 -12.534 -3.133 -3.483 373 HG1 THR 44 HG1 THR 44 -13.238 -1.535 -2.152 374 1HG2 THR 44 HG21 THR 44 -14.057 -4.823 -4.377 375 2HG2 THR 44 HG22 THR 44 -14.641 -3.201 -4.748 376 3HG2 THR 44 HG23 THR 44 -15.386 -4.131 -3.447 377 H GLN 45 HN GLN 45 -11.296 -5.974 -1.554 378 HA GLN 45 HA GLN 45 -9.554 -4.156 -0.102 379 1HB GLN 45 HB2 GLN 45 -8.045 -6.101 0.115 380 2HB GLN 45 HB1 GLN 45 -9.659 -6.447 0.713 381 1HG GLN 45 HG2 GLN 45 -10.179 -7.660 -1.322 382 2HG GLN 45 HG1 GLN 45 -8.589 -7.275 -1.974 383 1HE2 GLN 45 HE21 GLN 45 -7.285 -7.642 0.637 384 2HE2 GLN 45 HE22 GLN 45 -7.217 -9.350 0.886 385 H GLU 46 HN GLU 46 -7.726 -3.249 -0.929 386 HA GLU 46 HA GLU 46 -7.508 -3.401 -3.851 387 1HB GLU 46 HB2 GLU 46 -6.431 -1.290 -1.972 388 2HB GLU 46 HB1 GLU 46 -6.450 -1.212 -3.729 389 1HG GLU 46 HG2 GLU 46 -8.919 -1.246 -3.667 390 2HG GLU 46 HG1 GLU 46 -8.845 -1.222 -1.906 391 H LEU 47 HN LEU 47 -5.996 -4.740 -4.522 392 HA LEU 47 HA LEU 47 -3.647 -5.168 -2.819 393 1HB LEU 47 HB2 LEU 47 -4.787 -6.957 -4.963 394 2HB LEU 47 HB1 LEU 47 -3.429 -7.332 -3.922 395 HG LEU 47 HG LEU 47 -6.267 -6.918 -2.971 396 1HD1 LEU 47 HD11 LEU 47 -6.059 -8.947 -4.300 397 2HD1 LEU 47 HD12 LEU 47 -6.265 -9.337 -2.593 398 3HD1 LEU 47 HD13 LEU 47 -4.671 -9.450 -3.335 399 1HD2 LEU 47 HD21 LEU 47 -3.801 -7.875 -1.520 400 2HD2 LEU 47 HD22 LEU 47 -5.431 -7.808 -0.852 401 3HD2 LEU 47 HD23 LEU 47 -4.598 -6.318 -1.295 402 H ASN 48 HN ASN 48 -2.301 -3.559 -3.582 403 HA ASN 48 HA ASN 48 -1.550 -3.704 -6.409 404 1HB ASN 48 HB2 ASN 48 -1.899 -1.460 -5.229 405 2HB ASN 48 HB1 ASN 48 -0.412 -1.803 -4.351 406 1HD2 ASN 48 HD21 ASN 48 -1.001 0.348 -6.197 407 2HD2 ASN 48 HD22 ASN 48 0.155 0.232 -7.480 408 H ASN 49 HN ASN 49 -0.760 -5.879 -6.004 409 HA ASN 49 HA ASN 49 1.566 -6.190 -4.311 410 1HB ASN 49 HB2 ASN 49 -0.122 -7.992 -4.495 411 2HB ASN 49 HB1 ASN 49 0.253 -8.157 -6.205 412 1HD2 ASN 49 HD21 ASN 49 2.090 -9.235 -6.827 413 2HD2 ASN 49 HD22 ASN 49 3.085 -10.119 -5.725 414 H GLN 50 HN GLN 50 0.963 -6.970 -7.735 415 HA GLN 50 HA GLN 50 3.457 -5.652 -8.442 416 1HB GLN 50 HB2 GLN 50 2.864 -8.555 -8.970 417 2HB GLN 50 HB1 GLN 50 3.981 -7.640 -9.975 418 1HG GLN 50 HG2 GLN 50 5.264 -7.089 -7.907 419 2HG GLN 50 HG1 GLN 50 4.221 -8.212 -7.034 420 1HE2 GLN 50 HE21 GLN 50 6.685 -7.876 -9.460 421 2HE2 GLN 50 HE22 GLN 50 7.184 -9.539 -9.473 422 H LYS 51 HN LYS 51 3.294 -4.528 -10.216 423 HA LYS 51 HA LYS 51 1.678 -5.283 -12.445 424 1HB LYS 51 HB2 LYS 51 -0.043 -4.306 -10.914 425 2HB LYS 51 HB1 LYS 51 0.862 -2.801 -10.901 426 1HG LYS 51 HG2 LYS 51 -0.089 -3.955 -13.492 427 2HG LYS 51 HG1 LYS 51 -1.199 -3.066 -12.452 428 1HD LYS 51 HD2 LYS 51 0.178 -1.099 -12.569 429 2HD LYS 51 HD1 LYS 51 1.440 -1.978 -13.431 430 1HE LYS 51 HE2 LYS 51 -0.112 -2.320 -15.311 431 2HE LYS 51 HE1 LYS 51 -1.345 -1.405 -14.444 432 1HZ LYS 51 HZ1 LYS 51 0.156 0.522 -14.476 433 2HZ LYS 51 HZ2 LYS 51 -0.254 0.008 -16.038 434 3HZ LYS 51 HZ3 LYS 51 1.275 -0.360 -15.401 435 H ASP 52 HN ASP 52 2.600 -4.490 -14.220 436 HA ASP 52 HA ASP 52 3.543 -2.996 -15.673 437 1HB ASP 52 HB2 ASP 52 2.538 -1.275 -13.966 438 2HB ASP 52 HB1 ASP 52 4.216 -1.069 -13.483 439 H ASP 53 HN ASP 53 5.514 -3.028 -16.533 440 HA ASP 53 HA ASP 53 7.822 -3.563 -14.784 441 1HB ASP 53 HB2 ASP 53 7.318 -5.151 -16.695 442 2HB ASP 53 HB1 ASP 53 7.659 -3.825 -17.801 443 HA PRO 54 HA PRO 54 8.285 0.845 -15.581 444 1HB PRO 54 HB2 PRO 54 10.403 0.798 -13.582 445 2HB PRO 54 HB1 PRO 54 8.814 1.563 -13.503 446 1HG PRO 54 HG2 PRO 54 9.485 -0.592 -12.001 447 2HG PRO 54 HG1 PRO 54 7.829 -0.282 -12.555 448 1HD PRO 54 HD2 PRO 54 9.884 -2.156 -13.671 449 2HD PRO 54 HD1 PRO 54 8.142 -2.411 -13.418 450 H ILE 55 HN ILE 55 9.751 -1.033 -17.246 451 HA ILE 55 HA ILE 55 11.584 0.794 -18.383 452 HB ILE 55 HB ILE 55 12.950 0.040 -16.425 453 1HG1 ILE 55 HG12 ILE 55 15.006 -0.361 -17.719 454 2HG1 ILE 55 HG11 ILE 55 14.034 -0.708 -19.146 455 1HG2 ILE 55 HG21 ILE 55 12.927 -2.630 -17.816 456 2HG2 ILE 55 HG22 ILE 55 12.204 -2.256 -16.251 457 3HG2 ILE 55 HG23 ILE 55 13.956 -2.191 -16.452 458 1HD1 ILE 55 HD11 ILE 55 14.144 1.922 -17.687 459 2HD1 ILE 55 HD12 ILE 55 13.180 1.575 -19.123 460 3HD1 ILE 55 HD13 ILE 55 14.941 1.544 -19.214 461 H ASN 56 HN ASN 56 9.336 -0.886 -19.074 462 HA ASN 56 HA ASN 56 10.344 -2.257 -21.391 463 1HB ASN 56 HB2 ASN 56 10.644 -3.927 -19.521 464 2HB ASN 56 HB1 ASN 56 8.901 -3.907 -19.303 465 1HD2 ASN 56 HD21 ASN 56 10.595 -6.122 -19.968 466 2HD2 ASN 56 HD22 ASN 56 10.053 -6.738 -21.487 467 H TYR 57 HN TYR 57 8.994 -0.991 -22.598 468 HA TYR 57 HA TYR 57 6.124 -1.527 -22.342 469 1HB TYR 57 HB2 TYR 57 7.279 1.239 -22.790 470 2HB TYR 57 HB1 TYR 57 5.574 0.824 -22.723 471 HD1 TYR 57 HD1 TYR 57 8.652 1.206 -20.741 472 HD2 TYR 57 HD2 TYR 57 4.445 0.589 -20.623 473 HE1 TYR 57 HE1 TYR 57 8.655 1.692 -18.335 474 HE2 TYR 57 HE2 TYR 57 4.438 1.074 -18.213 475 HH TYR 57 HH TYR 57 6.009 1.015 -16.319 476 H THR 58 HN THR 58 4.959 -1.216 -24.332 477 HA THR 58 HA THR 58 6.337 -1.815 -26.707 478 HB THR 58 HB THR 58 3.666 -0.491 -26.762 479 HG1 THR 58 HG1 THR 58 2.710 -2.407 -26.046 480 1HG2 THR 58 HG21 THR 58 3.253 -2.182 -28.496 481 2HG2 THR 58 HG22 THR 58 4.852 -2.867 -28.210 482 3HG2 THR 58 HG23 THR 58 4.695 -1.235 -28.860 483 H GLU 59 HN GLU 59 7.271 -0.588 -28.242 484 HA GLU 59 HA GLU 59 7.939 2.069 -27.682 485 1HB GLU 59 HB2 GLU 59 8.799 2.192 -29.959 486 2HB GLU 59 HB1 GLU 59 9.257 0.673 -29.203 487 1HG GLU 59 HG2 GLU 59 7.390 -0.426 -30.404 488 2HG GLU 59 HG1 GLU 59 7.083 1.099 -31.234 489 H SER 60 HN SER 60 5.282 0.683 -29.507 490 HA SER 60 HA SER 60 4.277 3.143 -30.479 491 1HB SER 60 HB2 SER 60 2.139 1.834 -30.781 492 2HB SER 60 HB1 SER 60 3.556 1.127 -31.558 493 HG SER 60 HG SER 60 1.947 0.071 -29.675 494 H GLU 61 HN GLU 61 3.986 1.407 -27.411 495 HA GLU 61 HA GLU 61 1.806 3.060 -26.470 496 1HB GLU 61 HB2 GLU 61 3.816 1.432 -24.900 497 2HB GLU 61 HB1 GLU 61 2.389 2.195 -24.221 498 1HG GLU 61 HG2 GLU 61 2.466 -0.039 -26.230 499 2HG GLU 61 HG1 GLU 61 1.981 -0.142 -24.540 500 H LEU 62 HN LEU 62 5.297 3.161 -26.358 501 HA LEU 62 HA LEU 62 5.426 5.367 -24.537 502 1HB LEU 62 HB2 LEU 62 7.502 4.031 -26.269 503 2HB LEU 62 HB1 LEU 62 7.864 5.340 -25.158 504 HG LEU 62 HG LEU 62 6.692 2.679 -24.334 505 1HD1 LEU 62 HD11 LEU 62 8.900 2.196 -23.397 506 2HD1 LEU 62 HD12 LEU 62 9.523 3.692 -24.100 507 3HD1 LEU 62 HD13 LEU 62 8.967 2.388 -25.151 508 1HD2 LEU 62 HD21 LEU 62 6.088 4.496 -22.842 509 2HD2 LEU 62 HD22 LEU 62 7.779 4.984 -22.726 510 3HD2 LEU 62 HD23 LEU 62 7.264 3.430 -22.070 511 H LYS 63 HN LYS 63 4.927 5.078 -27.898 512 HA LYS 63 HA LYS 63 5.984 7.590 -28.708 513 1HB LYS 63 HB2 LYS 63 4.026 5.666 -29.911 514 2HB LYS 63 HB1 LYS 63 4.249 7.257 -30.624 515 1HG LYS 63 HG2 LYS 63 6.418 5.213 -30.200 516 2HG LYS 63 HG1 LYS 63 5.594 5.540 -31.726 517 1HD LYS 63 HD2 LYS 63 6.430 7.842 -31.684 518 2HD LYS 63 HD1 LYS 63 7.249 7.518 -30.155 519 1HE LYS 63 HE2 LYS 63 8.881 7.342 -31.872 520 2HE LYS 63 HE1 LYS 63 8.520 5.705 -31.325 521 1HZ LYS 63 HZ1 LYS 63 7.837 7.014 -33.867 522 2HZ LYS 63 HZ2 LYS 63 6.827 5.783 -33.282 523 3HZ LYS 63 HZ3 LYS 63 8.463 5.458 -33.583 524 H GLY 64 HN GLY 64 2.877 6.541 -27.449 525 1HA GLY 64 HA2 GLY 64 1.647 9.121 -27.960 526 2HA GLY 64 HA1 GLY 64 0.885 7.730 -27.203 527 H MET 65 HN MET 65 3.898 9.322 -26.287 528 HA MET 65 HA MET 65 2.647 10.289 -23.813 529 1HB MET 65 HB2 MET 65 5.204 8.675 -23.965 530 2HB MET 65 HB1 MET 65 4.599 9.470 -22.520 531 1HG MET 65 HG2 MET 65 2.668 8.023 -22.490 532 2HG MET 65 HG1 MET 65 3.175 7.273 -24.004 533 1HE MET 65 HE1 MET 65 2.951 4.867 -22.857 534 2HE MET 65 HE2 MET 65 2.449 5.645 -21.356 535 3HE MET 65 HE3 MET 65 3.737 4.440 -21.336 536 H ASN 66 HN ASN 66 4.262 11.733 -22.602 537 HA ASN 66 HA ASN 66 6.005 13.127 -24.535 538 1HB ASN 66 HB2 ASN 66 5.789 15.144 -23.136 539 2HB ASN 66 HB1 ASN 66 4.228 14.605 -23.740 540 1HD2 ASN 66 HD21 ASN 66 2.702 13.869 -22.323 541 2HD2 ASN 66 HD22 ASN 66 2.854 14.017 -20.604 542 H LYS 67 HN LYS 67 7.340 14.620 -22.376 543 HA LYS 67 HA LYS 67 9.420 12.727 -22.004 544 1HB LYS 67 HB2 LYS 67 10.615 14.484 -20.824 545 2HB LYS 67 HB1 LYS 67 9.895 15.116 -22.294 546 1HG LYS 67 HG2 LYS 67 8.200 16.251 -21.076 547 2HG LYS 67 HG1 LYS 67 8.643 15.426 -19.579 548 1HD LYS 67 HD2 LYS 67 10.854 16.528 -19.667 549 2HD LYS 67 HD1 LYS 67 10.333 17.408 -21.106 550 1HE LYS 67 HE2 LYS 67 8.975 17.552 -18.416 551 2HE LYS 67 HE1 LYS 67 10.150 18.726 -19.009 552 1HZ LYS 67 HZ1 LYS 67 8.644 19.172 -20.886 553 2HZ LYS 67 HZ2 LYS 67 7.939 19.534 -19.387 554 3HZ LYS 67 HZ3 LYS 67 7.498 18.117 -20.209 555 H ALA 68 HN ALA 68 6.918 14.012 -19.865 556 HA ALA 68 HA ALA 68 8.087 13.427 -17.415 557 1HB ALA 68 HB1 ALA 68 6.118 14.862 -17.705 558 2HB ALA 68 HB2 ALA 68 5.875 13.636 -16.460 559 3HB ALA 68 HB3 ALA 68 5.143 13.434 -18.053 560 H GLU 69 HN GLU 69 5.705 11.450 -19.187 561 HA GLU 69 HA GLU 69 5.567 9.295 -17.473 562 1HB GLU 69 HB2 GLU 69 5.486 9.259 -20.498 563 2HB GLU 69 HB1 GLU 69 5.004 7.916 -19.476 564 1HG GLU 69 HG2 GLU 69 3.011 8.947 -20.089 565 2HG GLU 69 HG1 GLU 69 3.314 9.514 -18.448 566 H HIS 70 HN HIS 70 7.744 9.645 -20.256 567 HA HIS 70 HA HIS 70 9.149 7.264 -19.914 568 1HB HIS 70 HB2 HIS 70 9.944 9.874 -21.186 569 2HB HIS 70 HB1 HIS 70 10.956 8.436 -21.239 570 HD1 HIS 70 HD1 HIS 70 10.656 7.067 -23.249 571 HD2 HIS 70 HD2 HIS 70 7.239 9.265 -22.373 572 HE1 HIS 70 HE1 HIS 70 9.088 6.664 -25.158 573 HE2 HIS 70 HE2 HIS 70 6.990 7.927 -24.577 574 H GLU 71 HN GLU 71 9.822 10.514 -18.645 575 HA GLU 71 HA GLU 71 12.388 9.881 -17.669 576 1HB GLU 71 HB2 GLU 71 10.478 12.051 -16.794 577 2HB GLU 71 HB1 GLU 71 12.174 11.956 -16.331 578 1HG GLU 71 HG2 GLU 71 12.793 12.071 -18.717 579 2HG GLU 71 HG1 GLU 71 11.092 12.279 -19.120 580 H SER 72 HN SER 72 9.193 9.815 -16.100 581 HA SER 72 HA SER 72 10.181 9.070 -13.559 582 1HB SER 72 HB2 SER 72 7.854 8.304 -13.101 583 2HB SER 72 HB1 SER 72 7.928 9.931 -13.770 584 HG SER 72 HG SER 72 7.644 8.626 -15.880 585 H ILE 73 HN ILE 73 9.327 7.218 -16.414 586 HA ILE 73 HA ILE 73 9.440 4.626 -15.380 587 HB ILE 73 HB ILE 73 10.214 5.660 -18.113 588 1HG1 ILE 73 HG12 ILE 73 7.728 4.196 -17.206 589 2HG1 ILE 73 HG11 ILE 73 7.837 5.944 -17.377 590 1HG2 ILE 73 HG21 ILE 73 11.335 3.541 -17.723 591 2HG2 ILE 73 HG22 ILE 73 10.031 3.343 -18.894 592 3HG2 ILE 73 HG23 ILE 73 9.809 2.806 -17.230 593 1HD1 ILE 73 HD11 ILE 73 8.300 5.669 -19.766 594 2HD1 ILE 73 HD12 ILE 73 6.756 4.950 -19.302 595 3HD1 ILE 73 HD13 ILE 73 8.160 3.920 -19.583 596 H ILE 74 HN ILE 74 12.055 6.480 -16.965 597 HA ILE 74 HA ILE 74 13.968 4.433 -16.420 598 HB ILE 74 HB ILE 74 14.937 7.172 -17.066 599 1HG1 ILE 74 HG12 ILE 74 13.478 5.418 -19.067 600 2HG1 ILE 74 HG11 ILE 74 12.846 6.923 -18.409 601 1HG2 ILE 74 HG21 ILE 74 16.471 5.293 -16.902 602 2HG2 ILE 74 HG22 ILE 74 16.377 5.842 -18.576 603 3HG2 ILE 74 HG23 ILE 74 15.515 4.381 -18.074 604 1HD1 ILE 74 HD11 ILE 74 15.330 6.640 -20.084 605 2HD1 ILE 74 HD12 ILE 74 14.678 8.147 -19.441 606 3HD1 ILE 74 HD13 ILE 74 13.763 7.231 -20.637 607 H SER 75 HN SER 75 12.761 7.088 -14.609 608 HA SER 75 HA SER 75 14.934 7.361 -12.800 609 1HB SER 75 HB2 SER 75 11.971 7.840 -12.383 610 2HB SER 75 HB1 SER 75 13.232 8.313 -11.246 611 HG SER 75 HG SER 75 12.872 9.241 -13.910 612 H ASN 76 HN ASN 76 12.134 5.222 -12.980 613 HA ASN 76 HA ASN 76 12.648 3.816 -10.573 614 1HB ASN 76 HB2 ASN 76 11.093 3.186 -13.061 615 2HB ASN 76 HB1 ASN 76 11.384 1.923 -11.872 616 1HD2 ASN 76 HD21 ASN 76 9.736 4.907 -12.545 617 2HD2 ASN 76 HD22 ASN 76 8.676 4.851 -11.175 618 H LEU 77 HN LEU 77 13.808 3.463 -13.881 619 HA LEU 77 HA LEU 77 15.326 1.115 -13.500 620 1HB LEU 77 HB2 LEU 77 14.906 2.082 -15.726 621 2HB LEU 77 HB1 LEU 77 15.896 3.469 -15.313 622 HG LEU 77 HG LEU 77 17.836 1.885 -15.038 623 1HD1 LEU 77 HD11 LEU 77 16.593 -0.166 -14.716 624 2HD1 LEU 77 HD12 LEU 77 17.646 -0.304 -16.125 625 3HD1 LEU 77 HD13 LEU 77 15.916 -0.036 -16.340 626 1HD2 LEU 77 HD21 LEU 77 18.240 1.680 -17.438 627 2HD2 LEU 77 HD22 LEU 77 17.574 3.260 -17.029 628 3HD2 LEU 77 HD23 LEU 77 16.542 2.028 -17.758 629 H GLY 78 HN GLY 78 15.985 4.505 -12.882 630 1HA GLY 78 HA2 GLY 78 17.396 5.173 -11.065 631 2HA GLY 78 HA1 GLY 78 18.338 3.707 -11.310 632 H ARG 79 HN ARG 79 17.334 5.579 -14.051 633 HA ARG 79 HA ARG 79 20.040 6.707 -14.269 634 1HB ARG 79 HB2 ARG 79 19.283 4.532 -15.708 635 2HB ARG 79 HB1 ARG 79 18.773 5.820 -16.789 636 1HG ARG 79 HG2 ARG 79 21.549 5.496 -15.671 637 2HG ARG 79 HG1 ARG 79 21.032 4.996 -17.280 638 1HD ARG 79 HD2 ARG 79 20.579 7.267 -17.905 639 2HD ARG 79 HD1 ARG 79 20.869 7.826 -16.257 640 HE ARG 79 HE ARG 79 23.112 6.468 -17.463 641 1HH1 ARG 79 HH11 ARG 79 21.498 9.560 -17.087 642 2HH1 ARG 79 HH12 ARG 79 22.960 10.483 -17.265 643 1HH2 ARG 79 HH21 ARG 79 25.005 7.669 -17.756 644 2HH2 ARG 79 HH22 ARG 79 24.957 9.406 -17.699 645 H ASN 80 HN ASN 80 20.014 8.808 -14.674 646 HA ASN 80 HA ASN 80 17.565 10.208 -15.140 647 1HB ASN 80 HB2 ASN 80 20.437 11.154 -15.155 648 2HB ASN 80 HB1 ASN 80 19.043 12.221 -15.278 649 1HD2 ASN 80 HD21 ASN 80 17.430 10.705 -13.409 650 2HD2 ASN 80 HD22 ASN 80 18.083 11.014 -11.837 651 HA PRO 81 HA PRO 81 17.869 10.274 -19.623 652 1HB PRO 81 HB2 PRO 81 15.695 12.163 -19.693 653 2HB PRO 81 HB1 PRO 81 15.654 10.442 -20.073 654 1HG PRO 81 HG2 PRO 81 14.401 11.579 -17.912 655 2HG PRO 81 HG1 PRO 81 14.894 9.879 -18.002 656 1HD PRO 81 HD2 PRO 81 16.238 12.180 -16.641 657 2HD PRO 81 HD1 PRO 81 16.058 10.495 -16.105 658 H SER 82 HN SER 82 19.769 11.761 -18.454 659 HA SER 82 HA SER 82 19.631 14.479 -18.254 660 1HB SER 82 HB2 SER 82 22.114 13.114 -19.252 661 2HB SER 82 HB1 SER 82 21.965 14.439 -18.095 662 HG SER 82 HG SER 82 21.714 13.039 -16.543 663 H ASP 83 HN ASP 83 20.767 12.709 -21.160 664 HA ASP 83 HA ASP 83 20.719 15.283 -22.584 665 1HB ASP 83 HB2 ASP 83 22.864 13.845 -22.393 666 2HB ASP 83 HB1 ASP 83 22.098 12.807 -23.590 667 H PHE 84 HN PHE 84 18.438 13.405 -22.079 668 HA PHE 84 HA PHE 84 17.739 12.866 -24.887 669 1HB PHE 84 HB2 PHE 84 16.483 11.773 -22.358 670 2HB PHE 84 HB1 PHE 84 15.956 11.402 -23.996 671 HD1 PHE 84 HD2 PHE 84 18.213 10.761 -25.517 672 HD2 PHE 84 HD1 PHE 84 17.575 10.021 -21.377 673 HE1 PHE 84 HE2 PHE 84 19.823 8.901 -25.604 674 HE2 PHE 84 HE1 PHE 84 19.186 8.164 -21.455 675 HZ PHE 84 HZ PHE 84 20.310 7.601 -23.573 676 H LYS 85 HN LYS 85 16.384 14.240 -25.837 677 HA LYS 85 HA LYS 85 14.835 16.019 -24.068 678 1HB LYS 85 HB2 LYS 85 15.079 17.766 -25.796 679 2HB LYS 85 HB1 LYS 85 16.625 17.245 -25.146 680 1HG LYS 85 HG2 LYS 85 16.162 15.619 -27.374 681 2HG LYS 85 HG1 LYS 85 15.693 17.248 -27.859 682 1HD LYS 85 HD2 LYS 85 18.034 16.896 -28.354 683 2HD LYS 85 HD1 LYS 85 17.877 18.081 -27.055 684 1HE LYS 85 HE2 LYS 85 18.346 16.326 -25.410 685 2HE LYS 85 HE1 LYS 85 18.508 15.149 -26.711 686 1HZ LYS 85 HZ1 LYS 85 20.223 17.544 -26.330 687 2HZ LYS 85 HZ2 LYS 85 20.393 16.392 -27.560 688 3HZ LYS 85 HZ3 LYS 85 20.660 15.950 -25.943 689 H ASN 86 HN ASN 86 14.838 14.096 -26.992 690 HA ASN 86 HA ASN 86 12.051 14.806 -27.532 691 1HB ASN 86 HB2 ASN 86 13.741 14.654 -29.386 692 2HB ASN 86 HB1 ASN 86 13.861 12.927 -29.071 693 1HD2 ASN 86 HD21 ASN 86 11.803 15.500 -30.211 694 2HD2 ASN 86 HD22 ASN 86 10.657 14.481 -31.038 695 H ALA 87 HN ALA 87 10.602 12.879 -28.133 696 HA ALA 87 HA ALA 87 10.430 11.160 -25.859 697 1HB ALA 87 HB1 ALA 87 8.427 12.014 -26.967 698 2HB ALA 87 HB2 ALA 87 8.443 10.250 -26.958 699 3HB ALA 87 HB3 ALA 87 8.852 11.128 -28.431 700 H ASP 88 HN ASP 88 11.345 10.765 -29.247 701 HA ASP 88 HA ASP 88 11.461 7.973 -29.366 702 1HB ASP 88 HB2 ASP 88 11.560 9.240 -31.396 703 2HB ASP 88 HB1 ASP 88 13.015 10.082 -30.870 704 H GLU 89 HN GLU 89 13.972 10.303 -28.499 705 HA GLU 89 HA GLU 89 16.118 8.545 -28.234 706 1HB GLU 89 HB2 GLU 89 15.621 10.988 -26.529 707 2HB GLU 89 HB1 GLU 89 17.176 10.272 -26.934 708 1HG GLU 89 HG2 GLU 89 16.845 10.863 -29.274 709 2HG GLU 89 HG1 GLU 89 15.281 11.574 -28.874 710 H ARG 90 HN ARG 90 13.595 9.457 -25.961 711 HA ARG 90 HA ARG 90 14.661 7.978 -23.766 712 1HB ARG 90 HB2 ARG 90 11.942 9.154 -24.318 713 2HB ARG 90 HB1 ARG 90 12.324 8.294 -22.834 714 1HG ARG 90 HG2 ARG 90 13.948 9.929 -22.216 715 2HG ARG 90 HG1 ARG 90 13.826 10.721 -23.790 716 1HD ARG 90 HD2 ARG 90 11.597 11.434 -23.336 717 2HD ARG 90 HD1 ARG 90 11.514 10.444 -21.883 718 HE ARG 90 HE ARG 90 12.856 12.006 -20.759 719 1HH1 ARG 90 HH11 ARG 90 12.291 12.948 -24.081 720 2HH1 ARG 90 HH12 ARG 90 12.677 14.616 -23.811 721 1HH2 ARG 90 HH21 ARG 90 13.345 14.210 -20.375 722 2HH2 ARG 90 HH22 ARG 90 13.310 15.323 -21.707 723 H ILE 91 HN ILE 91 12.466 7.279 -26.411 724 HA ILE 91 HA ILE 91 11.479 4.807 -25.409 725 HB ILE 91 HB ILE 91 11.761 5.739 -28.276 726 1HG1 ILE 91 HG12 ILE 91 9.373 5.779 -26.422 727 2HG1 ILE 91 HG11 ILE 91 10.336 7.183 -26.866 728 1HG2 ILE 91 HG21 ILE 91 11.556 3.323 -28.167 729 2HG2 ILE 91 HG22 ILE 91 10.069 4.035 -28.792 730 3HG2 ILE 91 HG23 ILE 91 10.141 3.470 -27.123 731 1HD1 ILE 91 HD11 ILE 91 8.269 7.096 -28.126 732 2HD1 ILE 91 HD12 ILE 91 8.697 5.499 -28.743 733 3HD1 ILE 91 HD13 ILE 91 9.661 6.906 -29.192 734 H ALA 92 HN ALA 92 14.109 5.669 -27.615 735 HA ALA 92 HA ALA 92 15.049 3.138 -28.240 736 1HB ALA 92 HB1 ALA 92 16.660 5.662 -27.872 737 2HB ALA 92 HB2 ALA 92 15.815 5.180 -29.342 738 3HB ALA 92 HB3 ALA 92 17.175 4.224 -28.754 739 H TYR 93 HN TYR 93 15.898 5.218 -25.482 740 HA TYR 93 HA TYR 93 17.890 3.506 -24.440 741 1HB TYR 93 HB2 TYR 93 17.496 5.947 -23.842 742 2HB TYR 93 HB1 TYR 93 16.200 5.384 -22.791 743 HD1 TYR 93 HD2 TYR 93 19.834 5.208 -23.404 744 HD2 TYR 93 HD1 TYR 93 16.680 4.442 -20.648 745 HE1 TYR 93 HE2 TYR 93 21.487 4.766 -21.647 746 HE2 TYR 93 HE1 TYR 93 18.328 3.992 -18.877 747 HH TYR 93 HH TYR 93 20.737 3.276 -18.735 748 H ILE 94 HN ILE 94 14.417 3.752 -23.829 749 HA ILE 94 HA ILE 94 14.357 1.844 -21.735 750 HB ILE 94 HB ILE 94 12.150 2.756 -23.594 751 1HG1 ILE 94 HG12 ILE 94 12.784 3.526 -20.732 752 2HG1 ILE 94 HG11 ILE 94 13.149 4.511 -22.143 753 1HG2 ILE 94 HG21 ILE 94 11.610 0.569 -22.667 754 2HG2 ILE 94 HG22 ILE 94 10.596 1.816 -21.942 755 3HG2 ILE 94 HG23 ILE 94 11.960 1.157 -21.041 756 1HD1 ILE 94 HD11 ILE 94 10.396 3.722 -21.205 757 2HD1 ILE 94 HD12 ILE 94 10.757 4.705 -22.624 758 3HD1 ILE 94 HD13 ILE 94 11.149 5.306 -21.013 759 H LEU 95 HN LEU 95 13.800 1.613 -25.235 760 HA LEU 95 HA LEU 95 13.160 -1.127 -25.308 761 1HB LEU 95 HB2 LEU 95 13.987 0.921 -27.267 762 2HB LEU 95 HB1 LEU 95 14.307 -0.739 -27.731 763 HG LEU 95 HG LEU 95 12.151 0.114 -28.598 764 1HD1 LEU 95 HD11 LEU 95 11.947 -2.133 -26.604 765 2HD1 LEU 95 HD12 LEU 95 12.438 -2.267 -28.291 766 3HD1 LEU 95 HD13 LEU 95 10.786 -1.801 -27.888 767 1HD2 LEU 95 HD21 LEU 95 11.343 0.195 -25.693 768 2HD2 LEU 95 HD22 LEU 95 10.275 0.443 -27.074 769 3HD2 LEU 95 HD23 LEU 95 11.570 1.595 -26.740 770 H LYS 96 HN LYS 96 16.286 0.543 -25.579 771 HA LYS 96 HA LYS 96 17.820 -1.783 -26.046 772 1HB LYS 96 HB2 LYS 96 18.518 0.925 -24.936 773 2HB LYS 96 HB1 LYS 96 19.717 -0.355 -25.060 774 1HG LYS 96 HG2 LYS 96 19.286 -0.485 -27.484 775 2HG LYS 96 HG1 LYS 96 18.159 0.863 -27.328 776 1HD LYS 96 HD2 LYS 96 19.920 2.323 -26.590 777 2HD LYS 96 HD1 LYS 96 21.065 0.982 -26.536 778 1HE LYS 96 HE2 LYS 96 20.853 0.705 -28.956 779 2HE LYS 96 HE1 LYS 96 19.700 2.038 -29.008 780 1HZ LYS 96 HZ1 LYS 96 22.517 2.275 -28.086 781 2HZ LYS 96 HZ2 LYS 96 21.405 3.543 -28.278 782 3HZ LYS 96 HZ3 LYS 96 21.967 2.698 -29.633 783 H GLN 97 HN GLN 97 16.483 -0.401 -23.157 784 HA GLN 97 HA GLN 97 18.132 -1.963 -21.382 785 1HB GLN 97 HB2 GLN 97 16.419 0.268 -21.122 786 2HB GLN 97 HB1 GLN 97 15.740 -1.007 -20.117 787 1HG GLN 97 HG2 GLN 97 17.248 0.364 -18.830 788 2HG GLN 97 HG1 GLN 97 17.894 -1.267 -18.994 789 1HE2 GLN 97 HE21 GLN 97 17.975 1.142 -21.543 790 2HE2 GLN 97 HE22 GLN 97 19.692 1.354 -21.532 791 H ILE 98 HN ILE 98 15.187 -2.380 -23.109 792 HA ILE 98 HA ILE 98 14.223 -4.611 -21.596 793 HB ILE 98 HB ILE 98 13.677 -3.845 -24.476 794 1HG1 ILE 98 HG12 ILE 98 12.044 -3.349 -21.975 795 2HG1 ILE 98 HG11 ILE 98 13.010 -2.135 -22.808 796 1HG2 ILE 98 HG21 ILE 98 12.212 -5.759 -22.664 797 2HG2 ILE 98 HG22 ILE 98 13.204 -6.199 -24.054 798 3HG2 ILE 98 HG23 ILE 98 11.710 -5.290 -24.287 799 1HD1 ILE 98 HD11 ILE 98 10.651 -3.595 -23.973 800 2HD1 ILE 98 HD12 ILE 98 11.597 -2.337 -24.768 801 3HD1 ILE 98 HD13 ILE 98 10.640 -1.950 -23.339 802 H ASP 99 HN ASP 99 16.186 -4.174 -24.496 803 HA ASP 99 HA ASP 99 16.663 -6.909 -25.024 804 1HB ASP 99 HB2 ASP 99 17.092 -5.140 -26.677 805 2HB ASP 99 HB1 ASP 99 18.380 -4.496 -25.663 806 H ASN 100 HN ASN 100 18.523 -4.470 -23.259 807 HA ASN 100 HA ASN 100 20.439 -6.472 -22.371 808 1HB ASN 100 HB2 ASN 100 20.293 -3.476 -21.978 809 2HB ASN 100 HB1 ASN 100 21.552 -4.487 -21.280 810 1HD2 ASN 100 HD21 ASN 100 20.240 -3.150 -24.209 811 2HD2 ASN 100 HD22 ASN 100 21.600 -3.508 -25.224 812 H LYS 101 HN LYS 101 17.680 -6.632 -21.461 813 HA LYS 101 HA LYS 101 17.472 -5.785 -18.766 814 1HB LYS 101 HB2 LYS 101 15.643 -6.652 -20.416 815 2HB LYS 101 HB1 LYS 101 16.109 -8.243 -19.841 816 1HG LYS 101 HG2 LYS 101 15.491 -7.652 -17.580 817 2HG LYS 101 HG1 LYS 101 15.134 -5.997 -18.083 818 1HD LYS 101 HD2 LYS 101 13.400 -6.896 -19.622 819 2HD LYS 101 HD1 LYS 101 13.707 -8.504 -18.974 820 1HE LYS 101 HE2 LYS 101 11.756 -7.582 -17.907 821 2HE LYS 101 HE1 LYS 101 13.061 -7.681 -16.729 822 1HZ LYS 101 HZ1 LYS 101 11.627 -5.547 -16.886 823 2HZ LYS 101 HZ2 LYS 101 12.629 -5.167 -18.205 824 3HZ LYS 101 HZ3 LYS 101 13.306 -5.414 -16.669 825 H GLY 102 HN GLY 102 18.721 -8.666 -20.348 826 1HA GLY 102 HA2 GLY 102 20.671 -9.746 -19.549 827 2HA GLY 102 HA1 GLY 102 20.284 -9.189 -17.930 828 H GLU 103 HN GLU 103 19.314 -10.508 -16.584 829 HA GLU 103 HA GLU 103 18.462 -12.368 -15.663 830 1HB GLU 103 HB2 GLU 103 17.206 -12.607 -18.370 831 2HB GLU 103 HB1 GLU 103 17.052 -13.910 -17.200 832 1HG GLU 103 HG2 GLU 103 16.196 -12.124 -15.592 833 2HG GLU 103 HG1 GLU 103 16.030 -11.103 -17.021 834 H LEU 104 HN LEU 104 20.622 -13.041 -15.377 835 HA LEU 104 HA LEU 104 21.205 -15.504 -16.892 836 1HB LEU 104 HB2 LEU 104 23.006 -13.838 -15.123 837 2HB LEU 104 HB1 LEU 104 23.464 -15.365 -15.849 838 HG LEU 104 HG LEU 104 22.802 -12.825 -17.342 839 1HD1 LEU 104 HD11 LEU 104 24.954 -12.761 -16.180 840 2HD1 LEU 104 HD12 LEU 104 25.167 -12.839 -17.928 841 3HD1 LEU 104 HD13 LEU 104 25.413 -14.283 -16.944 842 1HD2 LEU 104 HD21 LEU 104 23.522 -14.049 -19.333 843 2HD2 LEU 104 HD22 LEU 104 22.114 -14.810 -18.592 844 3HD2 LEU 104 HD23 LEU 104 23.716 -15.513 -18.369 845 H GLU 105 HN GLU 105 20.762 -17.373 -15.854 846 HA GLU 105 HA GLU 105 19.761 -17.193 -13.166 847 1HB GLU 105 HB2 GLU 105 19.578 -19.813 -13.602 848 2HB GLU 105 HB1 GLU 105 18.403 -18.665 -14.218 849 1HG GLU 105 HG2 GLU 105 18.866 -20.136 -15.983 850 2HG GLU 105 HG1 GLU 105 19.720 -18.644 -16.364 851 H HIS 106 HN HIS 106 20.830 -17.459 -11.398 852 HA HIS 106 HA HIS 106 23.602 -18.396 -11.499 853 1HB HIS 106 HB2 HIS 106 22.053 -17.197 -9.181 854 2HB HIS 106 HB1 HIS 106 23.787 -17.479 -9.235 855 HD1 HIS 106 HD1 HIS 106 25.185 -15.559 -9.982 856 HD2 HIS 106 HD2 HIS 106 21.193 -15.131 -11.075 857 HE1 HIS 106 HE1 HIS 106 24.991 -13.250 -10.972 858 HE2 HIS 106 HE2 HIS 106 22.529 -12.951 -11.456 859 H HIS 107 HN HIS 107 21.072 -20.066 -11.615 860 HA HIS 107 HA HIS 107 21.066 -21.453 -9.074 861 1HB HIS 107 HB2 HIS 107 18.968 -20.860 -10.331 862 2HB HIS 107 HB1 HIS 107 19.425 -22.059 -11.535 863 HD1 HIS 107 HD1 HIS 107 18.734 -24.416 -11.096 864 HD2 HIS 107 HD2 HIS 107 18.474 -22.017 -7.708 865 HE1 HIS 107 HE1 HIS 107 17.584 -25.825 -9.349 866 HE2 HIS 107 HE2 HIS 107 17.446 -24.355 -7.298 867 H HIS 108 HN HIS 108 22.350 -21.921 -12.287 868 HA HIS 108 HA HIS 108 22.689 -24.758 -11.860 869 1HB HIS 108 HB2 HIS 108 23.545 -24.925 -14.062 870 2HB HIS 108 HB1 HIS 108 22.220 -23.779 -14.141 871 HD1 HIS 108 HD1 HIS 108 22.777 -21.380 -14.887 872 HD2 HIS 108 HD2 HIS 108 26.097 -23.874 -14.598 873 HE1 HIS 108 HE1 HIS 108 24.657 -20.152 -16.021 874 HE2 HIS 108 HE2 HIS 108 26.550 -21.814 -16.085 875 H HIS 109 HN HIS 109 24.190 -25.529 -10.615 876 HA HIS 109 HA HIS 109 26.560 -23.951 -10.016 877 1HB HIS 109 HB2 HIS 109 25.150 -25.169 -8.263 878 2HB HIS 109 HB1 HIS 109 25.842 -26.661 -8.885 879 HD1 HIS 109 HD1 HIS 109 26.523 -23.824 -6.638 880 HD2 HIS 109 HD2 HIS 109 28.677 -26.917 -8.410 881 HE1 HIS 109 HE1 HIS 109 28.711 -23.937 -5.392 882 HE2 HIS 109 HE2 HIS 109 30.067 -25.676 -6.614 883 H HIS 110 HN HIS 110 25.603 -26.452 -12.077 884 HA HIS 110 HA HIS 110 28.237 -27.657 -12.309 885 1HB HIS 110 HB2 HIS 110 26.216 -29.080 -12.454 886 2HB HIS 110 HB1 HIS 110 25.696 -28.186 -13.877 887 HD1 HIS 110 HD1 HIS 110 27.933 -30.912 -12.769 888 HD2 HIS 110 HD2 HIS 110 27.223 -28.716 -16.230 889 HE1 HIS 110 HE1 HIS 110 29.145 -32.129 -14.609 890 HE2 HIS 110 HE2 HIS 110 28.845 -30.682 -16.653 891 H HIS 111 HN HIS 111 29.657 -27.287 -13.940 892 HA HIS 111 HA HIS 111 28.766 -25.601 -16.165 893 1HB HIS 111 HB2 HIS 111 30.947 -24.462 -16.199 894 2HB HIS 111 HB1 HIS 111 30.118 -24.199 -14.673 895 HD1 HIS 111 HD1 HIS 111 33.239 -25.464 -16.123 896 HD2 HIS 111 HD2 HIS 111 31.280 -25.667 -12.463 897 HE1 HIS 111 HE1 HIS 111 34.972 -26.231 -14.470 898 HE2 HIS 111 HE2 HIS 111 33.816 -26.128 -12.231 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -5.933 0.450 -1.633 2 2H MET 1 HT2 MET 1 -7.544 -0.033 -1.848 3 3H MET 1 HT3 MET 1 -6.337 -1.195 -1.604 4 HA MET 1 HA MET 1 -5.942 -0.403 0.626 5 1HB MET 1 HB2 MET 1 -7.227 1.887 -0.355 6 2HB MET 1 HB1 MET 1 -8.346 1.219 0.823 7 1HG MET 1 HG2 MET 1 -5.464 1.924 1.325 8 2HG MET 1 HG1 MET 1 -6.865 2.869 1.822 9 1HE MET 1 HE1 MET 1 -5.534 1.501 5.232 10 2HE MET 1 HE2 MET 1 -6.042 2.934 4.341 11 3HE MET 1 HE3 MET 1 -4.596 2.056 3.848 12 H PHE 2 HN PHE 2 -7.756 -0.644 2.484 13 HA PHE 2 HA PHE 2 -9.552 -2.796 1.639 14 1HB PHE 2 HB2 PHE 2 -8.771 -1.817 4.400 15 2HB PHE 2 HB1 PHE 2 -9.907 -3.124 4.094 16 HD1 PHE 2 HD1 PHE 2 -8.977 -5.060 2.578 17 HD2 PHE 2 HD2 PHE 2 -6.572 -2.335 4.792 18 HE1 PHE 2 HE1 PHE 2 -7.118 -6.669 2.531 19 HE2 PHE 2 HE2 PHE 2 -4.706 -3.939 4.748 20 HZ PHE 2 HZ PHE 2 -4.979 -6.111 3.618 21 H THR 3 HN THR 3 -11.489 -2.146 0.985 22 HA THR 3 HA THR 3 -12.500 0.404 2.083 23 HB THR 3 HB THR 3 -13.376 -0.529 -0.603 24 HG1 THR 3 HG1 THR 3 -11.162 -0.805 -0.822 25 1HG2 THR 3 HG21 THR 3 -12.636 2.166 0.538 26 2HG2 THR 3 HG22 THR 3 -14.272 1.526 0.371 27 3HG2 THR 3 HG23 THR 3 -13.311 1.876 -1.067 28 H ALA 4 HN ALA 4 -14.497 0.432 2.915 29 HA ALA 4 HA ALA 4 -16.287 -1.828 2.301 30 1HB ALA 4 HB1 ALA 4 -15.512 -1.949 4.619 31 2HB ALA 4 HB2 ALA 4 -17.240 -1.602 4.540 32 3HB ALA 4 HB3 ALA 4 -16.095 -0.310 4.904 33 H LYS 5 HN LYS 5 -17.988 -1.185 1.156 34 HA LYS 5 HA LYS 5 -18.929 1.582 1.534 35 1HB LYS 5 HB2 LYS 5 -17.898 1.320 -0.653 36 2HB LYS 5 HB1 LYS 5 -18.895 -0.086 -0.988 37 1HG LYS 5 HG2 LYS 5 -20.873 1.259 -1.088 38 2HG LYS 5 HG1 LYS 5 -19.986 2.682 -0.540 39 1HD LYS 5 HD2 LYS 5 -20.344 2.776 -2.943 40 2HD LYS 5 HD1 LYS 5 -18.626 2.609 -2.584 41 1HE LYS 5 HE2 LYS 5 -18.759 0.218 -3.051 42 2HE LYS 5 HE1 LYS 5 -20.482 0.372 -3.387 43 1HZ LYS 5 HZ1 LYS 5 -19.290 0.344 -5.437 44 2HZ LYS 5 HZ2 LYS 5 -18.251 1.581 -4.924 45 3HZ LYS 5 HZ3 LYS 5 -19.889 1.915 -5.206 46 H LEU 6 HN LEU 6 -20.933 1.790 2.231 47 HA LEU 6 HA LEU 6 -22.586 -0.441 2.785 48 1HB LEU 6 HB2 LEU 6 -22.575 1.731 4.041 49 2HB LEU 6 HB1 LEU 6 -23.354 2.485 2.669 50 HG LEU 6 HG LEU 6 -24.824 1.872 4.653 51 1HD1 LEU 6 HD11 LEU 6 -26.695 1.179 3.248 52 2HD1 LEU 6 HD12 LEU 6 -25.572 0.805 1.939 53 3HD1 LEU 6 HD13 LEU 6 -25.758 2.470 2.495 54 1HD2 LEU 6 HD21 LEU 6 -25.636 -0.428 4.746 55 2HD2 LEU 6 HD22 LEU 6 -23.910 -0.336 5.095 56 3HD2 LEU 6 HD23 LEU 6 -24.461 -0.894 3.515 57 H ILE 7 HN ILE 7 -23.954 -1.479 1.496 58 HA ILE 7 HA ILE 7 -24.594 -0.227 -1.086 59 HB ILE 7 HB ILE 7 -24.876 -2.517 -1.975 60 1HG1 ILE 7 HG12 ILE 7 -23.750 -3.372 0.697 61 2HG1 ILE 7 HG11 ILE 7 -25.390 -3.674 0.132 62 1HG2 ILE 7 HG21 ILE 7 -22.196 -1.955 -0.739 63 2HG2 ILE 7 HG22 ILE 7 -22.792 -1.323 -2.275 64 3HG2 ILE 7 HG23 ILE 7 -22.501 -3.052 -2.087 65 1HD1 ILE 7 HD11 ILE 7 -24.508 -5.055 -1.675 66 2HD1 ILE 7 HD12 ILE 7 -24.010 -5.650 -0.090 67 3HD1 ILE 7 HD13 ILE 7 -22.868 -4.758 -1.097 68 H LYS 8 HN LYS 8 -25.909 -1.854 1.713 69 HA LYS 8 HA LYS 8 -28.605 -1.339 0.661 70 1HB LYS 8 HB2 LYS 8 -27.670 -3.768 2.197 71 2HB LYS 8 HB1 LYS 8 -29.359 -3.391 1.885 72 1HG LYS 8 HG2 LYS 8 -28.976 -3.561 -0.507 73 2HG LYS 8 HG1 LYS 8 -27.264 -3.875 -0.222 74 1HD LYS 8 HD2 LYS 8 -27.827 -5.930 0.957 75 2HD LYS 8 HD1 LYS 8 -29.545 -5.605 0.725 76 1HE LYS 8 HE2 LYS 8 -28.775 -7.223 -0.910 77 2HE LYS 8 HE1 LYS 8 -29.227 -5.718 -1.708 78 1HZ LYS 8 HZ1 LYS 8 -26.452 -6.565 -1.052 79 2HZ LYS 8 HZ2 LYS 8 -26.891 -5.118 -1.826 80 3HZ LYS 8 HZ3 LYS 8 -27.160 -6.602 -2.593 81 H GLY 9 HN GLY 9 -29.427 0.253 1.820 82 1HA GLY 9 HA2 GLY 9 -30.456 0.380 4.181 83 2HA GLY 9 HA1 GLY 9 -28.774 0.408 4.688 84 H LYS 10 HN LYS 10 -28.418 1.970 2.000 85 HA LYS 10 HA LYS 10 -28.300 4.094 1.257 86 1HB LYS 10 HB2 LYS 10 -30.588 4.485 3.168 87 2HB LYS 10 HB1 LYS 10 -29.890 5.827 2.271 88 1HG LYS 10 HG2 LYS 10 -30.370 4.610 0.166 89 2HG LYS 10 HG1 LYS 10 -31.170 3.359 1.117 90 1HD LYS 10 HD2 LYS 10 -32.837 4.901 1.868 91 2HD LYS 10 HD1 LYS 10 -31.967 6.265 1.163 92 1HE LYS 10 HE2 LYS 10 -33.832 5.670 -0.255 93 2HE LYS 10 HE1 LYS 10 -32.318 5.299 -1.075 94 1HZ LYS 10 HZ1 LYS 10 -32.667 2.958 -0.150 95 2HZ LYS 10 HZ2 LYS 10 -33.633 3.445 -1.452 96 3HZ LYS 10 HZ3 LYS 10 -34.276 3.433 0.117 97 H THR 11 HN THR 11 -28.626 4.074 4.797 98 HA THR 11 HA THR 11 -25.987 5.271 5.004 99 HB THR 11 HB THR 11 -28.370 6.613 6.308 100 HG1 THR 11 HG1 THR 11 -27.517 6.881 3.855 101 1HG2 THR 11 HG21 THR 11 -26.729 8.309 6.994 102 2HG2 THR 11 HG22 THR 11 -25.439 7.339 6.281 103 3HG2 THR 11 HG23 THR 11 -26.342 6.724 7.667 104 H TYR 12 HN TYR 12 -24.905 4.385 6.642 105 HA TYR 12 HA TYR 12 -26.209 3.530 9.078 106 1HB TYR 12 HB2 TYR 12 -26.558 1.600 7.525 107 2HB TYR 12 HB1 TYR 12 -24.815 1.483 7.326 108 HD1 TYR 12 HD2 TYR 12 -27.584 1.104 9.738 109 HD2 TYR 12 HD1 TYR 12 -23.469 0.374 8.954 110 HE1 TYR 12 HE2 TYR 12 -27.485 -0.393 11.682 111 HE2 TYR 12 HE1 TYR 12 -23.361 -1.137 10.889 112 HH TYR 12 HH TYR 12 -26.166 -2.241 12.514 113 H ASN 13 HN ASN 13 -24.791 3.806 10.747 114 HA ASN 13 HA ASN 13 -21.980 4.250 9.990 115 1HB ASN 13 HB2 ASN 13 -21.770 5.801 11.827 116 2HB ASN 13 HB1 ASN 13 -23.160 6.265 10.854 117 1HD2 ASN 13 HD21 ASN 13 -25.199 6.144 11.731 118 2HD2 ASN 13 HD22 ASN 13 -25.484 5.860 13.412 119 H VAL 14 HN VAL 14 -20.341 3.401 11.230 120 HA VAL 14 HA VAL 14 -21.141 1.528 13.361 121 HB VAL 14 HB VAL 14 -18.936 1.017 11.348 122 1HG1 VAL 14 HG11 VAL 14 -20.073 -0.720 13.536 123 2HG1 VAL 14 HG12 VAL 14 -18.486 0.047 13.532 124 3HG1 VAL 14 HG13 VAL 14 -18.857 -1.216 12.359 125 1HG2 VAL 14 HG21 VAL 14 -20.380 -0.790 10.503 126 2HG2 VAL 14 HG22 VAL 14 -21.097 0.804 10.266 127 3HG2 VAL 14 HG23 VAL 14 -21.672 -0.238 11.568 128 H MET 15 HN MET 15 -20.554 2.770 15.054 129 HA MET 15 HA MET 15 -19.232 3.691 16.641 130 1HB MET 15 HB2 MET 15 -17.092 2.079 15.246 131 2HB MET 15 HB1 MET 15 -16.880 2.879 16.797 132 1HG MET 15 HG2 MET 15 -18.821 1.507 17.639 133 2HG MET 15 HG1 MET 15 -18.709 0.587 16.139 134 1HE MET 15 HE1 MET 15 -15.500 0.689 15.717 135 2HE MET 15 HE2 MET 15 -16.466 -0.756 15.421 136 3HE MET 15 HE3 MET 15 -15.033 -0.848 16.444 137 H GLY 16 HN GLY 16 -19.764 5.449 14.685 138 1HA GLY 16 HA2 GLY 16 -18.957 7.682 14.557 139 2HA GLY 16 HA1 GLY 16 -17.322 7.073 14.754 140 H ILE 17 HN ILE 17 -17.542 5.009 12.755 141 HA ILE 17 HA ILE 17 -17.052 6.648 10.430 142 HB ILE 17 HB ILE 17 -16.994 3.630 10.691 143 1HG1 ILE 17 HG12 ILE 17 -14.461 4.080 10.429 144 2HG1 ILE 17 HG11 ILE 17 -14.842 5.728 10.911 145 1HG2 ILE 17 HG21 ILE 17 -16.046 5.429 8.466 146 2HG2 ILE 17 HG22 ILE 17 -17.391 4.290 8.403 147 3HG2 ILE 17 HG23 ILE 17 -15.741 3.696 8.569 148 1HD1 ILE 17 HD11 ILE 17 -15.739 4.894 13.020 149 2HD1 ILE 17 HD12 ILE 17 -14.057 4.418 12.782 150 3HD1 ILE 17 HD13 ILE 17 -15.349 3.247 12.525 151 H THR 18 HN THR 18 -18.744 7.390 9.336 152 HA THR 18 HA THR 18 -21.215 5.865 9.257 153 HB THR 18 HB THR 18 -20.644 8.612 8.126 154 HG1 THR 18 HG1 THR 18 -21.152 9.391 10.075 155 1HG2 THR 18 HG21 THR 18 -23.086 8.878 8.210 156 2HG2 THR 18 HG22 THR 18 -23.247 7.214 8.773 157 3HG2 THR 18 HG23 THR 18 -22.624 7.543 7.157 158 H PHE 19 HN PHE 19 -21.809 4.650 7.602 159 HA PHE 19 HA PHE 19 -20.390 4.929 5.038 160 1HB PHE 19 HB2 PHE 19 -21.987 2.581 6.089 161 2HB PHE 19 HB1 PHE 19 -21.060 2.623 4.595 162 HD1 PHE 19 HD1 PHE 19 -18.637 2.541 4.638 163 HD2 PHE 19 HD2 PHE 19 -20.919 2.290 8.220 164 HE1 PHE 19 HE1 PHE 19 -16.673 1.663 5.824 165 HE2 PHE 19 HE2 PHE 19 -18.954 1.420 9.416 166 HZ PHE 19 HZ PHE 19 -16.828 1.105 8.217 167 H ARG 20 HN ARG 20 -21.579 5.065 3.129 168 HA ARG 20 HA ARG 20 -24.492 5.207 3.392 169 1HB ARG 20 HB2 ARG 20 -22.661 7.338 2.473 170 2HB ARG 20 HB1 ARG 20 -24.106 7.089 1.501 171 1HG ARG 20 HG2 ARG 20 -25.484 7.361 3.517 172 2HG ARG 20 HG1 ARG 20 -24.018 7.676 4.449 173 1HD ARG 20 HD2 ARG 20 -23.622 9.697 3.382 174 2HD ARG 20 HD1 ARG 20 -24.650 9.285 2.009 175 HE ARG 20 HE ARG 20 -26.468 9.372 3.911 176 1HH1 ARG 20 HH11 ARG 20 -23.736 11.508 3.442 177 2HH1 ARG 20 HH12 ARG 20 -24.584 12.930 3.980 178 1HH2 ARG 20 HH21 ARG 20 -27.590 11.217 4.655 179 2HH2 ARG 20 HH22 ARG 20 -26.778 12.762 4.693 180 H ALA 21 HN ALA 21 -25.664 4.830 1.464 181 HA ALA 21 HA ALA 21 -24.677 2.736 -0.116 182 1HB ALA 21 HB1 ALA 21 -26.698 3.019 -1.451 183 2HB ALA 21 HB2 ALA 21 -26.993 4.582 -0.687 184 3HB ALA 21 HB3 ALA 21 -27.055 3.104 0.273 185 H GLY 22 HN GLY 22 -22.948 2.994 -1.362 186 1HA GLY 22 HA2 GLY 22 -22.140 3.520 -3.537 187 2HA GLY 22 HA1 GLY 22 -23.143 4.963 -3.530 188 H VAL 23 HN VAL 23 -21.528 4.555 -0.590 189 HA VAL 23 HA VAL 23 -19.400 6.403 -1.466 190 HB VAL 23 HB VAL 23 -20.685 6.245 1.270 191 1HG1 VAL 23 HG11 VAL 23 -19.382 8.256 1.765 192 2HG1 VAL 23 HG12 VAL 23 -18.620 8.154 0.179 193 3HG1 VAL 23 HG13 VAL 23 -18.337 6.891 1.377 194 1HG2 VAL 23 HG21 VAL 23 -22.199 7.217 -0.368 195 2HG2 VAL 23 HG22 VAL 23 -20.940 8.337 -0.891 196 3HG2 VAL 23 HG23 VAL 23 -21.608 8.458 0.737 197 H SER 24 HN SER 24 -17.586 5.277 -1.650 198 HA SER 24 HA SER 24 -17.013 2.932 -0.114 199 1HB SER 24 HB2 SER 24 -15.144 4.561 -1.854 200 2HB SER 24 HB1 SER 24 -14.940 2.877 -1.365 201 HG SER 24 HG SER 24 -16.220 3.830 -3.487 202 H GLN 25 HN GLN 25 -16.139 2.848 1.850 203 HA GLN 25 HA GLN 25 -14.674 5.215 2.829 204 1HB GLN 25 HB2 GLN 25 -16.525 3.391 4.385 205 2HB GLN 25 HB1 GLN 25 -15.589 4.712 5.072 206 1HG GLN 25 HG2 GLN 25 -17.584 5.155 2.877 207 2HG GLN 25 HG1 GLN 25 -18.044 5.142 4.578 208 1HE2 GLN 25 HE21 GLN 25 -17.526 6.858 5.860 209 2HE2 GLN 25 HE22 GLN 25 -16.833 8.327 5.257 210 H THR 26 HN THR 26 -12.656 4.827 3.514 211 HA THR 26 HA THR 26 -11.599 2.172 3.584 212 HB THR 26 HB THR 26 -9.553 3.395 4.557 213 HG1 THR 26 HG1 THR 26 -10.788 5.260 5.239 214 1HG2 THR 26 HG21 THR 26 -9.739 2.736 2.209 215 2HG2 THR 26 HG22 THR 26 -8.944 4.303 2.362 216 3HG2 THR 26 HG23 THR 26 -10.632 4.216 1.856 217 H VAL 27 HN VAL 27 -11.330 0.847 5.278 218 HA VAL 27 HA VAL 27 -12.224 1.843 7.912 219 HB VAL 27 HB VAL 27 -13.158 -0.420 8.312 220 1HG1 VAL 27 HG11 VAL 27 -14.251 0.988 5.878 221 2HG1 VAL 27 HG12 VAL 27 -14.611 1.382 7.559 222 3HG1 VAL 27 HG13 VAL 27 -15.132 -0.162 6.884 223 1HG2 VAL 27 HG21 VAL 27 -11.795 -1.705 6.766 224 2HG2 VAL 27 HG22 VAL 27 -12.507 -0.859 5.393 225 3HG2 VAL 27 HG23 VAL 27 -13.503 -1.926 6.386 226 HA PRO 28 HA PRO 28 -8.546 -0.022 9.667 227 1HB PRO 28 HB2 PRO 28 -10.205 -0.686 12.010 228 2HB PRO 28 HB1 PRO 28 -8.789 0.365 11.903 229 1HG PRO 28 HG2 PRO 28 -11.263 1.354 12.271 230 2HG PRO 28 HG1 PRO 28 -10.043 2.215 11.314 231 1HD PRO 28 HD2 PRO 28 -12.357 0.553 10.389 232 2HD PRO 28 HD1 PRO 28 -11.743 2.092 9.743 233 H LYS 29 HN LYS 29 -7.856 -2.121 10.593 234 HA LYS 29 HA LYS 29 -8.851 -4.254 9.049 235 1HB LYS 29 HB2 LYS 29 -7.085 -4.307 11.504 236 2HB LYS 29 HB1 LYS 29 -7.339 -5.666 10.417 237 1HG LYS 29 HG2 LYS 29 -6.310 -4.472 8.601 238 2HG LYS 29 HG1 LYS 29 -6.171 -3.018 9.591 239 1HD LYS 29 HD2 LYS 29 -4.809 -5.653 10.153 240 2HD LYS 29 HD1 LYS 29 -4.042 -4.244 9.419 241 1HE LYS 29 HE2 LYS 29 -4.624 -2.952 11.477 242 2HE LYS 29 HE1 LYS 29 -5.187 -4.459 12.198 243 1HZ LYS 29 HZ1 LYS 29 -2.426 -3.880 11.270 244 2HZ LYS 29 HZ2 LYS 29 -2.949 -5.372 11.878 245 3HZ LYS 29 HZ3 LYS 29 -2.937 -4.007 12.883 246 H LYS 30 HN LYS 30 -9.580 -3.172 12.283 247 HA LYS 30 HA LYS 30 -10.977 -5.446 13.192 248 1HB LYS 30 HB2 LYS 30 -11.312 -2.527 13.901 249 2HB LYS 30 HB1 LYS 30 -12.084 -3.850 14.762 250 1HG LYS 30 HG2 LYS 30 -9.913 -4.728 15.401 251 2HG LYS 30 HG1 LYS 30 -9.116 -3.436 14.498 252 1HD LYS 30 HD2 LYS 30 -10.099 -1.770 15.956 253 2HD LYS 30 HD1 LYS 30 -10.995 -3.021 16.821 254 1HE LYS 30 HE2 LYS 30 -7.990 -2.880 16.650 255 2HE LYS 30 HE1 LYS 30 -8.940 -2.249 17.994 256 1HZ LYS 30 HZ1 LYS 30 -8.986 -5.089 17.114 257 2HZ LYS 30 HZ2 LYS 30 -9.704 -4.435 18.506 258 3HZ LYS 30 HZ3 LYS 30 -8.017 -4.497 18.374 259 H LEU 31 HN LEU 31 -12.101 -2.483 11.581 260 HA LEU 31 HA LEU 31 -14.836 -3.276 11.632 261 1HB LEU 31 HB2 LEU 31 -13.397 -1.091 10.144 262 2HB LEU 31 HB1 LEU 31 -15.127 -1.354 10.016 263 HG LEU 31 HG LEU 31 -13.600 -0.597 12.505 264 1HD1 LEU 31 HD11 LEU 31 -13.950 1.236 10.947 265 2HD1 LEU 31 HD12 LEU 31 -14.950 1.435 12.386 266 3HD1 LEU 31 HD13 LEU 31 -15.673 0.866 10.881 267 1HD2 LEU 31 HD21 LEU 31 -15.779 -0.526 13.611 268 2HD2 LEU 31 HD22 LEU 31 -15.394 -2.155 13.055 269 3HD2 LEU 31 HD23 LEU 31 -16.542 -1.164 12.155 270 H TYR 32 HN TYR 32 -12.223 -3.647 9.334 271 HA TYR 32 HA TYR 32 -13.678 -4.313 7.067 272 1HB TYR 32 HB2 TYR 32 -11.316 -4.123 6.831 273 2HB TYR 32 HB1 TYR 32 -11.022 -5.348 8.064 274 HD1 TYR 32 HD2 TYR 32 -12.556 -4.910 4.691 275 HD2 TYR 32 HD1 TYR 32 -10.687 -7.560 7.445 276 HE1 TYR 32 HE2 TYR 32 -12.536 -6.658 2.962 277 HE2 TYR 32 HE1 TYR 32 -10.662 -9.328 5.742 278 HH TYR 32 HH TYR 32 -11.413 -8.737 2.440 279 H GLU 33 HN GLU 33 -12.563 -6.489 9.669 280 HA GLU 33 HA GLU 33 -13.983 -8.713 8.574 281 1HB GLU 33 HB2 GLU 33 -12.610 -8.298 11.221 282 2HB GLU 33 HB1 GLU 33 -13.399 -9.806 10.773 283 1HG GLU 33 HG2 GLU 33 -11.911 -9.984 8.824 284 2HG GLU 33 HG1 GLU 33 -11.100 -8.505 9.329 285 H TYR 34 HN TYR 34 -14.635 -6.252 10.935 286 HA TYR 34 HA TYR 34 -16.850 -7.379 12.236 287 1HB TYR 34 HB2 TYR 34 -15.468 -5.208 12.706 288 2HB TYR 34 HB1 TYR 34 -16.645 -4.440 11.650 289 HD1 TYR 34 HD2 TYR 34 -16.185 -6.210 14.843 290 HD2 TYR 34 HD1 TYR 34 -18.863 -3.966 12.418 291 HE1 TYR 34 HE2 TYR 34 -17.683 -5.933 16.771 292 HE2 TYR 34 HE1 TYR 34 -20.367 -3.672 14.342 293 HH TYR 34 HH TYR 34 -19.428 -4.321 17.521 294 H LEU 35 HN LEU 35 -16.528 -5.644 9.198 295 HA LEU 35 HA LEU 35 -19.402 -5.875 8.703 296 1HB LEU 35 HB2 LEU 35 -17.239 -4.478 7.132 297 2HB LEU 35 HB1 LEU 35 -18.939 -4.501 6.697 298 HG LEU 35 HG LEU 35 -17.772 -3.262 9.189 299 1HD1 LEU 35 HD11 LEU 35 -18.966 -2.011 6.722 300 2HD1 LEU 35 HD12 LEU 35 -17.259 -2.016 7.165 301 3HD1 LEU 35 HD13 LEU 35 -18.425 -1.149 8.163 302 1HD2 LEU 35 HD21 LEU 35 -20.617 -3.316 8.179 303 2HD2 LEU 35 HD22 LEU 35 -20.034 -2.409 9.575 304 3HD2 LEU 35 HD23 LEU 35 -20.000 -4.172 9.592 305 H ASN 36 HN ASN 36 -16.497 -7.491 8.031 306 HA ASN 36 HA ASN 36 -17.080 -8.733 5.585 307 1HB ASN 36 HB2 ASN 36 -14.883 -8.993 6.465 308 2HB ASN 36 HB1 ASN 36 -15.500 -9.628 7.988 309 1HD2 ASN 36 HD21 ASN 36 -15.957 -11.748 8.182 310 2HD2 ASN 36 HD22 ASN 36 -15.635 -12.922 6.953 311 H GLU 37 HN GLU 37 -18.041 -9.412 8.871 312 HA GLU 37 HA GLU 37 -19.604 -11.724 8.077 313 1HB GLU 37 HB2 GLU 37 -20.248 -11.711 10.515 314 2HB GLU 37 HB1 GLU 37 -18.531 -11.893 10.184 315 1HG GLU 37 HG2 GLU 37 -18.334 -9.400 10.555 316 2HG GLU 37 HG1 GLU 37 -19.978 -9.468 11.194 317 H ASN 38 HN ASN 38 -20.129 -8.719 7.345 318 HA ASN 38 HA ASN 38 -23.014 -8.782 7.970 319 1HB ASN 38 HB2 ASN 38 -21.108 -6.477 7.681 320 2HB ASN 38 HB1 ASN 38 -22.821 -6.250 7.356 321 1HD2 ASN 38 HD21 ASN 38 -21.730 -8.499 9.780 322 2HD2 ASN 38 HD22 ASN 38 -22.223 -7.566 11.150 323 HA PRO 39 HA PRO 39 -23.199 -9.378 3.575 324 1HB PRO 39 HB2 PRO 39 -25.744 -10.161 3.438 325 2HB PRO 39 HB1 PRO 39 -24.520 -11.153 4.239 326 1HG PRO 39 HG2 PRO 39 -26.627 -9.416 5.426 327 2HG PRO 39 HG1 PRO 39 -25.989 -10.965 6.004 328 1HD PRO 39 HD2 PRO 39 -25.247 -8.415 6.919 329 2HD PRO 39 HD1 PRO 39 -24.387 -9.933 7.235 330 H TYR 40 HN TYR 40 -23.917 -6.580 4.829 331 HA TYR 40 HA TYR 40 -25.462 -5.743 2.478 332 1HB TYR 40 HB2 TYR 40 -26.515 -3.947 3.882 333 2HB TYR 40 HB1 TYR 40 -27.031 -5.585 4.243 334 HD1 TYR 40 HD1 TYR 40 -25.864 -6.741 6.257 335 HD2 TYR 40 HD2 TYR 40 -25.832 -2.539 5.598 336 HE1 TYR 40 HE1 TYR 40 -25.419 -6.377 8.646 337 HE2 TYR 40 HE2 TYR 40 -25.374 -2.164 7.985 338 HH TYR 40 HH TYR 40 -24.384 -4.600 10.071 339 H PHE 41 HN PHE 41 -22.553 -5.776 3.258 340 HA PHE 41 HA PHE 41 -22.049 -3.023 2.348 341 1HB PHE 41 HB2 PHE 41 -20.466 -4.661 4.335 342 2HB PHE 41 HB1 PHE 41 -19.769 -3.294 3.478 343 HD1 PHE 41 HD2 PHE 41 -22.163 -4.340 6.035 344 HD2 PHE 41 HD1 PHE 41 -20.386 -1.045 4.016 345 HE1 PHE 41 HE2 PHE 41 -23.015 -2.817 7.768 346 HE2 PHE 41 HE1 PHE 41 -21.234 0.480 5.746 347 HZ PHE 41 HZ PHE 41 -22.550 -0.407 7.624 348 H ILE 42 HN ILE 42 -20.601 -2.861 0.622 349 HA ILE 42 HA ILE 42 -19.604 -5.413 -0.413 350 HB ILE 42 HB ILE 42 -20.727 -3.907 -2.027 351 1HG1 ILE 42 HG12 ILE 42 -17.778 -4.301 -2.566 352 2HG1 ILE 42 HG11 ILE 42 -19.023 -5.530 -2.768 353 1HG2 ILE 42 HG21 ILE 42 -18.399 -2.064 -1.523 354 2HG2 ILE 42 HG22 ILE 42 -20.087 -1.756 -1.109 355 3HG2 ILE 42 HG23 ILE 42 -19.600 -1.875 -2.800 356 1HD1 ILE 42 HD11 ILE 42 -18.386 -4.548 -4.895 357 2HD1 ILE 42 HD12 ILE 42 -18.830 -2.948 -4.303 358 3HD1 ILE 42 HD13 ILE 42 -20.068 -4.187 -4.512 359 H LEU 43 HN LEU 43 -17.606 -6.024 -0.120 360 HA LEU 43 HA LEU 43 -15.769 -4.145 1.160 361 1HB LEU 43 HB2 LEU 43 -15.758 -7.161 1.051 362 2HB LEU 43 HB1 LEU 43 -14.590 -6.177 1.918 363 HG LEU 43 HG LEU 43 -17.502 -5.869 2.524 364 1HD1 LEU 43 HD11 LEU 43 -16.985 -8.295 2.589 365 2HD1 LEU 43 HD12 LEU 43 -17.466 -7.602 4.136 366 3HD1 LEU 43 HD13 LEU 43 -15.762 -7.949 3.816 367 1HD2 LEU 43 HD21 LEU 43 -15.914 -4.284 3.469 368 2HD2 LEU 43 HD22 LEU 43 -15.002 -5.614 4.184 369 3HD2 LEU 43 HD23 LEU 43 -16.647 -5.279 4.727 370 H THR 44 HN THR 44 -14.445 -3.197 -0.151 371 HA THR 44 HA THR 44 -13.660 -4.518 -2.648 372 HB THR 44 HB THR 44 -13.391 -1.586 -1.938 373 HG1 THR 44 HG1 THR 44 -15.593 -3.027 -2.563 374 1HG2 THR 44 HG21 THR 44 -11.925 -2.349 -3.749 375 2HG2 THR 44 HG22 THR 44 -13.194 -1.292 -4.366 376 3HG2 THR 44 HG23 THR 44 -13.314 -3.037 -4.591 377 H GLN 45 HN GLN 45 -11.809 -5.574 -2.423 378 HA GLN 45 HA GLN 45 -9.730 -4.443 -0.672 379 1HB GLN 45 HB2 GLN 45 -9.869 -7.268 -1.698 380 2HB GLN 45 HB1 GLN 45 -8.911 -6.645 -0.362 381 1HG GLN 45 HG2 GLN 45 -10.829 -6.377 0.999 382 2HG GLN 45 HG1 GLN 45 -11.910 -6.696 -0.357 383 1HE2 GLN 45 HE21 GLN 45 -8.974 -8.490 0.193 384 2HE2 GLN 45 HE22 GLN 45 -9.731 -9.981 0.642 385 H GLU 46 HN GLU 46 -8.280 -3.325 -1.837 386 HA GLU 46 HA GLU 46 -7.632 -4.306 -4.529 387 1HB GLU 46 HB2 GLU 46 -6.701 -1.717 -3.302 388 2HB GLU 46 HB1 GLU 46 -6.807 -2.136 -5.005 389 1HG GLU 46 HG2 GLU 46 -9.220 -2.085 -4.904 390 2HG GLU 46 HG1 GLU 46 -9.163 -1.765 -3.170 391 H LEU 47 HN LEU 47 -6.120 -5.850 -4.319 392 HA LEU 47 HA LEU 47 -3.611 -5.055 -3.009 393 1HB LEU 47 HB2 LEU 47 -4.665 -6.977 -1.894 394 2HB LEU 47 HB1 LEU 47 -4.683 -7.849 -3.413 395 HG LEU 47 HG LEU 47 -2.214 -7.836 -3.442 396 1HD1 LEU 47 HD11 LEU 47 -0.986 -7.158 -1.437 397 2HD1 LEU 47 HD12 LEU 47 -2.484 -6.571 -0.716 398 3HD1 LEU 47 HD13 LEU 47 -1.839 -5.796 -2.163 399 1HD2 LEU 47 HD21 LEU 47 -3.415 -9.734 -2.485 400 2HD2 LEU 47 HD22 LEU 47 -3.422 -8.943 -0.909 401 3HD2 LEU 47 HD23 LEU 47 -1.897 -9.449 -1.634 402 H ASN 48 HN ASN 48 -2.638 -4.127 -4.793 403 HA ASN 48 HA ASN 48 -2.060 -6.018 -6.972 404 1HB ASN 48 HB2 ASN 48 -2.485 -3.034 -7.181 405 2HB ASN 48 HB1 ASN 48 -1.767 -4.004 -8.462 406 1HD2 ASN 48 HD21 ASN 48 -4.660 -3.117 -6.818 407 2HD2 ASN 48 HD22 ASN 48 -5.763 -3.944 -7.868 408 H ASN 49 HN ASN 49 -0.186 -6.756 -6.133 409 HA ASN 49 HA ASN 49 1.855 -4.897 -5.248 410 1HB ASN 49 HB2 ASN 49 1.557 -7.013 -4.035 411 2HB ASN 49 HB1 ASN 49 1.908 -7.916 -5.505 412 1HD2 ASN 49 HD21 ASN 49 4.011 -8.030 -6.251 413 2HD2 ASN 49 HD22 ASN 49 5.376 -7.565 -5.291 414 H GLN 50 HN GLN 50 2.432 -3.755 -7.070 415 HA GLN 50 HA GLN 50 3.782 -5.320 -9.169 416 1HB GLN 50 HB2 GLN 50 1.835 -3.855 -9.850 417 2HB GLN 50 HB1 GLN 50 2.809 -2.467 -9.387 418 1HG GLN 50 HG2 GLN 50 2.891 -2.825 -11.783 419 2HG GLN 50 HG1 GLN 50 4.479 -3.066 -11.060 420 1HE2 GLN 50 HE21 GLN 50 5.364 -5.128 -11.011 421 2HE2 GLN 50 HE22 GLN 50 4.733 -6.431 -11.954 422 H LYS 51 HN LYS 51 4.318 -3.479 -6.467 423 HA LYS 51 HA LYS 51 7.030 -2.791 -7.364 424 1HB LYS 51 HB2 LYS 51 5.120 -1.087 -5.786 425 2HB LYS 51 HB1 LYS 51 6.856 -0.853 -5.671 426 1HG LYS 51 HG2 LYS 51 6.935 -0.464 -8.105 427 2HG LYS 51 HG1 LYS 51 5.177 -0.611 -8.159 428 1HD LYS 51 HD2 LYS 51 4.915 1.305 -6.738 429 2HD LYS 51 HD1 LYS 51 6.652 1.383 -6.448 430 1HE LYS 51 HE2 LYS 51 7.017 1.875 -8.823 431 2HE LYS 51 HE1 LYS 51 5.277 1.815 -9.098 432 1HZ LYS 51 HZ1 LYS 51 6.587 3.701 -7.216 433 2HZ LYS 51 HZ2 LYS 51 4.966 3.708 -7.710 434 3HZ LYS 51 HZ3 LYS 51 6.193 4.090 -8.818 435 H ASP 52 HN ASP 52 7.893 -4.626 -6.435 436 HA ASP 52 HA ASP 52 8.368 -4.280 -3.563 437 1HB ASP 52 HB2 ASP 52 8.147 -6.624 -3.065 438 2HB ASP 52 HB1 ASP 52 6.666 -6.112 -3.865 439 H ASP 53 HN ASP 53 9.536 -4.314 -6.540 440 HA ASP 53 HA ASP 53 11.944 -5.877 -6.088 441 1HB ASP 53 HB2 ASP 53 10.795 -5.963 -8.280 442 2HB ASP 53 HB1 ASP 53 11.080 -4.240 -8.486 443 HA PRO 54 HA PRO 54 14.142 -2.271 -4.584 444 1HB PRO 54 HB2 PRO 54 16.525 -3.940 -5.036 445 2HB PRO 54 HB1 PRO 54 15.924 -3.230 -3.536 446 1HG PRO 54 HG2 PRO 54 15.788 -5.871 -3.997 447 2HG PRO 54 HG1 PRO 54 14.523 -5.012 -3.097 448 1HD PRO 54 HD2 PRO 54 14.533 -5.922 -5.953 449 2HD PRO 54 HD1 PRO 54 13.223 -5.991 -4.753 450 H ILE 55 HN ILE 55 16.409 -1.295 -5.318 451 HA ILE 55 HA ILE 55 17.342 0.083 -6.864 452 HB ILE 55 HB ILE 55 18.483 -2.112 -7.285 453 1HG1 ILE 55 HG12 ILE 55 19.513 -1.388 -9.441 454 2HG1 ILE 55 HG11 ILE 55 18.254 -0.166 -9.583 455 1HG2 ILE 55 HG21 ILE 55 16.677 -3.354 -8.318 456 2HG2 ILE 55 HG22 ILE 55 18.075 -3.277 -9.391 457 3HG2 ILE 55 HG23 ILE 55 16.677 -2.243 -9.689 458 1HD1 ILE 55 HD11 ILE 55 20.291 -0.350 -7.378 459 2HD1 ILE 55 HD12 ILE 55 19.032 0.878 -7.524 460 3HD1 ILE 55 HD13 ILE 55 20.314 0.781 -8.730 461 H ASN 56 HN ASN 56 14.433 -0.092 -6.892 462 HA ASN 56 HA ASN 56 13.967 1.113 -9.511 463 1HB ASN 56 HB2 ASN 56 13.264 -1.318 -9.570 464 2HB ASN 56 HB1 ASN 56 12.063 -0.931 -8.344 465 1HD2 ASN 56 HD21 ASN 56 11.722 -1.931 -11.049 466 2HD2 ASN 56 HD22 ASN 56 10.718 -0.793 -11.875 467 H TYR 57 HN TYR 57 13.719 3.117 -8.682 468 HA TYR 57 HA TYR 57 11.364 3.578 -7.013 469 1HB TYR 57 HB2 TYR 57 14.081 4.796 -6.448 470 2HB TYR 57 HB1 TYR 57 12.588 5.185 -5.606 471 HD1 TYR 57 HD2 TYR 57 11.638 3.639 -3.981 472 HD2 TYR 57 HD1 TYR 57 15.266 2.720 -6.011 473 HE1 TYR 57 HE2 TYR 57 12.098 1.859 -2.347 474 HE2 TYR 57 HE1 TYR 57 15.733 0.938 -4.383 475 HH TYR 57 HH TYR 57 13.388 -0.173 -2.149 476 H THR 58 HN THR 58 10.678 5.857 -7.090 477 HA THR 58 HA THR 58 10.694 6.947 -9.684 478 HB THR 58 HB THR 58 10.195 8.673 -7.295 479 HG1 THR 58 HG1 THR 58 9.156 6.854 -6.603 480 1HG2 THR 58 HG21 THR 58 9.835 9.559 -9.558 481 2HG2 THR 58 HG22 THR 58 8.324 9.463 -8.655 482 3HG2 THR 58 HG23 THR 58 8.694 8.254 -9.884 483 H GLU 59 HN GLU 59 12.097 8.395 -10.681 484 HA GLU 59 HA GLU 59 14.613 8.818 -9.451 485 1HB GLU 59 HB2 GLU 59 15.289 9.953 -11.388 486 2HB GLU 59 HB1 GLU 59 14.149 8.742 -11.951 487 1HG GLU 59 HG2 GLU 59 12.746 10.275 -12.756 488 2HG GLU 59 HG1 GLU 59 12.920 11.315 -11.341 489 H SER 60 HN SER 60 11.719 10.774 -9.760 490 HA SER 60 HA SER 60 12.765 13.125 -8.584 491 1HB SER 60 HB2 SER 60 9.901 12.155 -8.482 492 2HB SER 60 HB1 SER 60 10.472 13.822 -8.384 493 HG SER 60 HG SER 60 10.133 13.804 -10.460 494 H GLU 61 HN GLU 61 11.696 10.083 -7.377 495 HA GLU 61 HA GLU 61 11.348 10.954 -4.641 496 1HB GLU 61 HB2 GLU 61 10.003 9.146 -5.549 497 2HB GLU 61 HB1 GLU 61 11.443 8.238 -5.964 498 1HG GLU 61 HG2 GLU 61 11.931 7.876 -3.633 499 2HG GLU 61 HG1 GLU 61 10.561 8.888 -3.164 500 H LEU 62 HN LEU 62 13.771 9.344 -6.602 501 HA LEU 62 HA LEU 62 15.637 9.037 -4.420 502 1HB LEU 62 HB2 LEU 62 15.947 8.702 -7.401 503 2HB LEU 62 HB1 LEU 62 17.206 8.353 -6.232 504 HG LEU 62 HG LEU 62 14.530 6.961 -6.328 505 1HD1 LEU 62 HD11 LEU 62 17.239 6.044 -7.281 506 2HD1 LEU 62 HD12 LEU 62 15.857 6.442 -8.299 507 3HD1 LEU 62 HD13 LEU 62 15.783 5.055 -7.213 508 1HD2 LEU 62 HD21 LEU 62 17.037 6.382 -4.752 509 2HD2 LEU 62 HD22 LEU 62 15.579 5.389 -4.774 510 3HD2 LEU 62 HD23 LEU 62 15.527 7.019 -4.102 511 H LYS 63 HN LYS 63 14.618 11.585 -6.287 512 HA LYS 63 HA LYS 63 17.014 13.008 -6.752 513 1HB LYS 63 HB2 LYS 63 14.338 13.385 -7.341 514 2HB LYS 63 HB1 LYS 63 14.659 14.659 -6.174 515 1HG LYS 63 HG2 LYS 63 15.004 15.565 -8.339 516 2HG LYS 63 HG1 LYS 63 16.592 15.362 -7.599 517 1HD LYS 63 HD2 LYS 63 16.993 13.361 -8.877 518 2HD LYS 63 HD1 LYS 63 15.344 13.379 -9.504 519 1HE LYS 63 HE2 LYS 63 15.829 15.514 -10.638 520 2HE LYS 63 HE1 LYS 63 17.487 15.433 -10.044 521 1HZ LYS 63 HZ1 LYS 63 17.843 13.439 -11.311 522 2HZ LYS 63 HZ2 LYS 63 17.249 14.637 -12.345 523 3HZ LYS 63 HZ3 LYS 63 16.220 13.396 -11.811 524 H GLY 64 HN GLY 64 14.955 12.569 -3.990 525 1HA GLY 64 HA2 GLY 64 16.608 14.421 -2.414 526 2HA GLY 64 HA1 GLY 64 15.089 13.697 -1.889 527 H MET 65 HN MET 65 15.357 12.250 -0.340 528 HA MET 65 HA MET 65 16.101 10.456 0.830 529 1HB MET 65 HB2 MET 65 17.265 9.779 -1.868 530 2HB MET 65 HB1 MET 65 17.361 8.695 -0.488 531 1HG MET 65 HG2 MET 65 14.813 9.719 -1.717 532 2HG MET 65 HG1 MET 65 15.530 8.136 -2.016 533 1HE MET 65 HE1 MET 65 12.420 7.207 0.150 534 2HE MET 65 HE2 MET 65 13.307 6.896 -1.342 535 3HE MET 65 HE3 MET 65 12.528 8.457 -1.089 536 H ASN 66 HN ASN 66 18.513 9.004 0.573 537 HA ASN 66 HA ASN 66 20.540 11.001 1.344 538 1HB ASN 66 HB2 ASN 66 19.474 9.621 3.232 539 2HB ASN 66 HB1 ASN 66 20.266 8.223 2.521 540 1HD2 ASN 66 HD21 ASN 66 20.618 9.240 5.139 541 2HD2 ASN 66 HD22 ASN 66 22.277 9.704 5.305 542 H LYS 67 HN LYS 67 22.783 10.285 0.927 543 HA LYS 67 HA LYS 67 23.092 8.839 -1.503 544 1HB LYS 67 HB2 LYS 67 25.504 8.993 -1.099 545 2HB LYS 67 HB1 LYS 67 24.726 10.547 -0.835 546 1HG LYS 67 HG2 LYS 67 24.974 10.397 1.494 547 2HG LYS 67 HG1 LYS 67 25.330 8.669 1.429 548 1HD LYS 67 HD2 LYS 67 27.434 9.160 0.263 549 2HD LYS 67 HD1 LYS 67 27.076 10.885 0.357 550 1HE LYS 67 HE2 LYS 67 27.211 10.848 2.747 551 2HE LYS 67 HE1 LYS 67 27.332 9.088 2.762 552 1HZ LYS 67 HZ1 LYS 67 29.478 10.275 3.078 553 2HZ LYS 67 HZ2 LYS 67 29.349 10.862 1.491 554 3HZ LYS 67 HZ3 LYS 67 29.475 9.196 1.774 555 H ALA 68 HN ALA 68 23.348 8.043 1.902 556 HA ALA 68 HA ALA 68 24.522 5.505 1.688 557 1HB ALA 68 HB1 ALA 68 22.590 6.495 3.780 558 2HB ALA 68 HB2 ALA 68 24.340 6.718 3.801 559 3HB ALA 68 HB3 ALA 68 23.656 5.098 3.925 560 H GLU 69 HN GLU 69 21.183 6.559 1.382 561 HA GLU 69 HA GLU 69 19.991 4.016 1.328 562 1HB GLU 69 HB2 GLU 69 19.114 6.483 -0.192 563 2HB GLU 69 HB1 GLU 69 18.119 5.082 0.177 564 1HG GLU 69 HG2 GLU 69 19.219 7.113 2.095 565 2HG GLU 69 HG1 GLU 69 17.531 6.804 1.695 566 H HIS 70 HN HIS 70 20.933 6.115 -1.400 567 HA HIS 70 HA HIS 70 20.671 4.333 -3.481 568 1HB HIS 70 HB2 HIS 70 22.719 6.516 -3.063 569 2HB HIS 70 HB1 HIS 70 22.543 5.641 -4.578 570 HD1 HIS 70 HD1 HIS 70 20.789 8.161 -2.401 571 HD2 HIS 70 HD2 HIS 70 20.390 6.413 -6.158 572 HE1 HIS 70 HE1 HIS 70 19.038 9.497 -3.596 573 HE2 HIS 70 HE2 HIS 70 18.916 8.522 -5.906 574 H GLU 71 HN GLU 71 23.414 4.727 -1.266 575 HA GLU 71 HA GLU 71 25.205 2.917 -2.337 576 1HB GLU 71 HB2 GLU 71 24.548 3.646 0.510 577 2HB GLU 71 HB1 GLU 71 25.777 2.446 0.150 578 1HG GLU 71 HG2 GLU 71 25.845 5.229 -0.971 579 2HG GLU 71 HG1 GLU 71 26.580 4.792 0.572 580 H SER 72 HN SER 72 22.905 2.162 0.270 581 HA SER 72 HA SER 72 23.276 -0.591 0.226 582 1HB SER 72 HB2 SER 72 20.782 0.940 1.006 583 2HB SER 72 HB1 SER 72 21.189 -0.704 1.505 584 HG SER 72 HG SER 72 23.273 0.814 2.091 585 H ILE 73 HN ILE 73 20.889 1.390 -1.490 586 HA ILE 73 HA ILE 73 19.310 -0.584 -2.610 587 HB ILE 73 HB ILE 73 20.119 2.071 -3.808 588 1HG1 ILE 73 HG12 ILE 73 17.575 1.281 -2.374 589 2HG1 ILE 73 HG11 ILE 73 18.919 2.118 -1.604 590 1HG2 ILE 73 HG21 ILE 73 19.318 0.591 -5.561 591 2HG2 ILE 73 HG22 ILE 73 18.129 1.854 -5.231 592 3HG2 ILE 73 HG23 ILE 73 17.877 0.221 -4.612 593 1HD1 ILE 73 HD11 ILE 73 17.291 3.162 -3.911 594 2HD1 ILE 73 HD12 ILE 73 18.619 4.006 -3.115 595 3HD1 ILE 73 HD13 ILE 73 17.136 3.655 -2.226 596 H ILE 74 HN ILE 74 22.213 0.922 -4.114 597 HA ILE 74 HA ILE 74 21.914 -0.885 -6.359 598 HB ILE 74 HB ILE 74 24.332 0.849 -6.101 599 1HG1 ILE 74 HG12 ILE 74 21.580 1.859 -6.881 600 2HG1 ILE 74 HG11 ILE 74 22.409 2.269 -5.383 601 1HG2 ILE 74 HG21 ILE 74 22.468 0.098 -8.357 602 2HG2 ILE 74 HG22 ILE 74 24.039 -0.638 -8.017 603 3HG2 ILE 74 HG23 ILE 74 23.949 1.050 -8.523 604 1HD1 ILE 74 HD11 ILE 74 24.181 3.353 -6.664 605 2HD1 ILE 74 HD12 ILE 74 22.600 4.055 -7.011 606 3HD1 ILE 74 HD13 ILE 74 23.345 2.946 -8.163 607 H SER 75 HN SER 75 23.744 -0.747 -3.426 608 HA SER 75 HA SER 75 25.740 -2.629 -4.159 609 1HB SER 75 HB2 SER 75 24.586 -1.973 -1.433 610 2HB SER 75 HB1 SER 75 26.015 -2.969 -1.707 611 HG SER 75 HG SER 75 25.654 -0.209 -2.152 612 H ASN 76 HN ASN 76 22.436 -2.896 -2.952 613 HA ASN 76 HA ASN 76 22.489 -5.746 -2.719 614 1HB ASN 76 HB2 ASN 76 20.167 -3.824 -2.983 615 2HB ASN 76 HB1 ASN 76 19.988 -5.553 -2.705 616 1HD2 ASN 76 HD21 ASN 76 22.385 -5.602 -0.966 617 2HD2 ASN 76 HD22 ASN 76 21.881 -4.907 0.532 618 H LEU 77 HN LEU 77 21.864 -3.468 -5.300 619 HA LEU 77 HA LEU 77 20.931 -5.327 -7.219 620 1HB LEU 77 HB2 LEU 77 20.781 -2.916 -7.576 621 2HB LEU 77 HB1 LEU 77 22.529 -2.788 -7.596 622 HG LEU 77 HG LEU 77 22.541 -4.235 -9.643 623 1HD1 LEU 77 HD11 LEU 77 20.378 -5.306 -9.320 624 2HD1 LEU 77 HD12 LEU 77 20.465 -4.495 -10.884 625 3HD1 LEU 77 HD13 LEU 77 19.569 -3.756 -9.555 626 1HD2 LEU 77 HD21 LEU 77 21.005 -1.648 -9.810 627 2HD2 LEU 77 HD22 LEU 77 21.806 -2.456 -11.158 628 3HD2 LEU 77 HD23 LEU 77 22.759 -1.825 -9.814 629 H GLY 78 HN GLY 78 24.099 -4.584 -5.974 630 1HA GLY 78 HA2 GLY 78 25.785 -6.315 -6.057 631 2HA GLY 78 HA1 GLY 78 25.197 -6.745 -7.656 632 H ARG 79 HN ARG 79 25.296 -3.408 -7.238 633 HA ARG 79 HA ARG 79 28.011 -3.222 -8.346 634 1HB ARG 79 HB2 ARG 79 25.995 -3.124 -10.044 635 2HB ARG 79 HB1 ARG 79 25.820 -1.488 -9.435 636 1HG ARG 79 HG2 ARG 79 28.317 -2.609 -10.692 637 2HG ARG 79 HG1 ARG 79 27.120 -1.611 -11.515 638 1HD ARG 79 HD2 ARG 79 27.561 0.154 -9.780 639 2HD ARG 79 HD1 ARG 79 28.915 -0.832 -9.228 640 HE ARG 79 HE ARG 79 29.118 -0.394 -12.009 641 1HH1 ARG 79 HH11 ARG 79 29.554 1.183 -8.926 642 2HH1 ARG 79 HH12 ARG 79 30.600 2.426 -9.560 643 1HH2 ARG 79 HH21 ARG 79 30.523 1.211 -12.852 644 2HH2 ARG 79 HH22 ARG 79 31.161 2.432 -11.783 645 H ASN 80 HN ASN 80 28.919 -2.292 -6.582 646 HA ASN 80 HA ASN 80 27.586 -0.434 -4.903 647 1HB ASN 80 HB2 ASN 80 30.561 -0.940 -5.129 648 2HB ASN 80 HB1 ASN 80 29.727 -0.189 -3.773 649 1HD2 ASN 80 HD21 ASN 80 28.388 -1.495 -2.449 650 2HD2 ASN 80 HD22 ASN 80 28.612 -3.208 -2.378 651 HA PRO 81 HA PRO 81 28.497 3.163 -7.339 652 1HB PRO 81 HB2 PRO 81 27.070 4.914 -5.848 653 2HB PRO 81 HB1 PRO 81 26.317 3.731 -6.920 654 1HG PRO 81 HG2 PRO 81 26.423 3.793 -3.986 655 2HG PRO 81 HG1 PRO 81 25.304 2.932 -5.051 656 1HD PRO 81 HD2 PRO 81 27.605 1.901 -3.671 657 2HD PRO 81 HD1 PRO 81 26.467 1.025 -4.712 658 H SER 82 HN SER 82 30.764 2.680 -6.242 659 HA SER 82 HA SER 82 31.456 4.609 -4.195 660 1HB SER 82 HB2 SER 82 32.431 2.291 -4.282 661 2HB SER 82 HB1 SER 82 33.292 2.766 -5.744 662 HG SER 82 HG SER 82 34.434 4.288 -4.558 663 H ASP 83 HN ASP 83 31.739 4.214 -7.649 664 HA ASP 83 HA ASP 83 33.529 6.491 -7.917 665 1HB ASP 83 HB2 ASP 83 33.494 5.943 -10.330 666 2HB ASP 83 HB1 ASP 83 33.967 4.569 -9.340 667 H PHE 84 HN PHE 84 30.162 5.707 -8.253 668 HA PHE 84 HA PHE 84 29.515 8.232 -9.503 669 1HB PHE 84 HB2 PHE 84 27.722 6.162 -8.203 670 2HB PHE 84 HB1 PHE 84 27.155 7.578 -9.081 671 HD1 PHE 84 HD2 PHE 84 28.096 7.793 -11.537 672 HD2 PHE 84 HD1 PHE 84 27.886 4.168 -9.317 673 HE1 PHE 84 HE2 PHE 84 28.150 6.508 -13.636 674 HE2 PHE 84 HE1 PHE 84 27.940 2.878 -11.410 675 HZ PHE 84 HZ PHE 84 28.067 4.047 -13.574 676 H LYS 85 HN LYS 85 29.657 10.058 -8.375 677 HA LYS 85 HA LYS 85 29.863 9.800 -5.476 678 1HB LYS 85 HB2 LYS 85 31.660 10.893 -6.848 679 2HB LYS 85 HB1 LYS 85 30.526 12.192 -7.189 680 1HG LYS 85 HG2 LYS 85 30.401 12.748 -4.841 681 2HG LYS 85 HG1 LYS 85 31.452 11.387 -4.441 682 1HD LYS 85 HD2 LYS 85 33.217 12.417 -5.864 683 2HD LYS 85 HD1 LYS 85 32.169 13.822 -6.068 684 1HE LYS 85 HE2 LYS 85 32.189 14.204 -3.663 685 2HE LYS 85 HE1 LYS 85 33.195 12.772 -3.434 686 1HZ LYS 85 HZ1 LYS 85 34.909 13.846 -4.800 687 2HZ LYS 85 HZ2 LYS 85 34.555 14.733 -3.397 688 3HZ LYS 85 HZ3 LYS 85 33.949 15.245 -4.901 689 H ASN 86 HN ASN 86 28.420 12.144 -7.747 690 HA ASN 86 HA ASN 86 26.910 13.362 -5.651 691 1HB ASN 86 HB2 ASN 86 26.820 13.713 -8.651 692 2HB ASN 86 HB1 ASN 86 25.853 14.662 -7.524 693 1HD2 ASN 86 HD21 ASN 86 29.003 14.084 -8.824 694 2HD2 ASN 86 HD22 ASN 86 29.781 15.455 -8.090 695 H ALA 87 HN ALA 87 24.513 13.695 -5.873 696 HA ALA 87 HA ALA 87 23.326 11.166 -5.495 697 1HB ALA 87 HB1 ALA 87 21.255 12.383 -5.132 698 2HB ALA 87 HB2 ALA 87 21.967 13.836 -5.835 699 3HB ALA 87 HB3 ALA 87 22.596 13.193 -4.318 700 H ASP 88 HN ASP 88 23.061 13.519 -8.139 701 HA ASP 88 HA ASP 88 20.992 12.158 -9.504 702 1HB ASP 88 HB2 ASP 88 21.704 14.594 -9.791 703 2HB ASP 88 HB1 ASP 88 22.990 13.985 -10.829 704 H GLU 89 HN GLU 89 24.489 11.919 -9.641 705 HA GLU 89 HA GLU 89 24.760 10.320 -11.929 706 1HB GLU 89 HB2 GLU 89 26.369 10.288 -9.367 707 2HB GLU 89 HB1 GLU 89 26.860 9.525 -10.872 708 1HG GLU 89 HG2 GLU 89 27.071 11.633 -11.957 709 2HG GLU 89 HG1 GLU 89 26.337 12.471 -10.590 710 H ARG 90 HN ARG 90 24.190 9.502 -8.553 711 HA ARG 90 HA ARG 90 24.130 6.689 -8.907 712 1HB ARG 90 HB2 ARG 90 22.848 8.359 -6.735 713 2HB ARG 90 HB1 ARG 90 23.195 6.635 -6.654 714 1HG ARG 90 HG2 ARG 90 25.567 7.068 -6.750 715 2HG ARG 90 HG1 ARG 90 25.270 8.794 -6.955 716 1HD ARG 90 HD2 ARG 90 24.231 8.882 -4.745 717 2HD ARG 90 HD1 ARG 90 24.507 7.150 -4.546 718 HE ARG 90 HE ARG 90 26.609 9.214 -4.668 719 1HH1 ARG 90 HH11 ARG 90 25.522 6.009 -3.783 720 2HH1 ARG 90 HH12 ARG 90 27.011 5.569 -3.003 721 1HH2 ARG 90 HH21 ARG 90 28.569 8.633 -3.644 722 2HH2 ARG 90 HH22 ARG 90 28.735 7.064 -2.927 723 H ILE 91 HN ILE 91 21.717 9.231 -9.038 724 HA ILE 91 HA ILE 91 19.426 7.573 -9.212 725 HB ILE 91 HB ILE 91 19.858 10.348 -10.342 726 1HG1 ILE 91 HG12 ILE 91 18.522 9.513 -7.762 727 2HG1 ILE 91 HG11 ILE 91 20.173 10.114 -7.870 728 1HG2 ILE 91 HG21 ILE 91 17.410 10.524 -10.326 729 2HG2 ILE 91 HG22 ILE 91 17.297 8.840 -9.815 730 3HG2 ILE 91 HG23 ILE 91 17.963 9.238 -11.399 731 1HD1 ILE 91 HD11 ILE 91 17.692 11.630 -8.638 732 2HD1 ILE 91 HD12 ILE 91 19.345 12.237 -8.730 733 3HD1 ILE 91 HD13 ILE 91 18.633 11.852 -7.164 734 H ALA 92 HN ALA 92 21.626 8.938 -11.599 735 HA ALA 92 HA ALA 92 20.255 8.275 -13.923 736 1HB ALA 92 HB1 ALA 92 22.393 8.515 -15.059 737 2HB ALA 92 HB2 ALA 92 23.239 8.418 -13.514 738 3HB ALA 92 HB3 ALA 92 22.175 9.784 -13.856 739 H TYR 93 HN TYR 93 22.720 6.390 -12.164 740 HA TYR 93 HA TYR 93 22.737 4.216 -13.959 741 1HB TYR 93 HB2 TYR 93 24.491 4.599 -12.233 742 2HB TYR 93 HB1 TYR 93 23.334 4.127 -10.991 743 HD1 TYR 93 HD2 TYR 93 24.990 2.869 -14.082 744 HD2 TYR 93 HD1 TYR 93 23.136 1.870 -10.383 745 HE1 TYR 93 HE2 TYR 93 25.614 0.515 -14.412 746 HE2 TYR 93 HE1 TYR 93 23.751 -0.486 -10.709 747 HH TYR 93 HH TYR 93 24.313 -2.011 -12.521 748 H ILE 94 HN ILE 94 20.881 4.774 -10.984 749 HA ILE 94 HA ILE 94 19.519 2.314 -10.947 750 HB ILE 94 HB ILE 94 18.594 5.009 -9.912 751 1HG1 ILE 94 HG12 ILE 94 19.928 2.701 -8.470 752 2HG1 ILE 94 HG11 ILE 94 20.728 4.196 -8.935 753 1HG2 ILE 94 HG21 ILE 94 16.715 3.495 -10.180 754 2HG2 ILE 94 HG22 ILE 94 17.080 3.721 -8.469 755 3HG2 ILE 94 HG23 ILE 94 17.576 2.240 -9.290 756 1HD1 ILE 94 HD11 ILE 94 20.151 4.202 -6.574 757 2HD1 ILE 94 HD12 ILE 94 18.452 3.945 -6.976 758 3HD1 ILE 94 HD13 ILE 94 19.250 5.448 -7.440 759 H LEU 95 HN LEU 95 18.716 5.425 -12.426 760 HA LEU 95 HA LEU 95 16.135 4.826 -13.319 761 1HB LEU 95 HB2 LEU 95 17.920 6.974 -13.471 762 2HB LEU 95 HB1 LEU 95 17.556 6.571 -15.136 763 HG LEU 95 HG LEU 95 15.557 7.304 -12.998 764 1HD1 LEU 95 HD11 LEU 95 16.459 8.742 -15.488 765 2HD1 LEU 95 HD12 LEU 95 16.859 9.186 -13.828 766 3HD1 LEU 95 HD13 LEU 95 15.189 9.276 -14.387 767 1HD2 LEU 95 HD21 LEU 95 15.117 6.611 -15.901 768 2HD2 LEU 95 HD22 LEU 95 13.894 7.220 -14.788 769 3HD2 LEU 95 HD23 LEU 95 14.622 5.639 -14.514 770 H LYS 96 HN LYS 96 19.253 4.557 -15.020 771 HA LYS 96 HA LYS 96 18.114 3.675 -17.462 772 1HB LYS 96 HB2 LYS 96 20.924 3.417 -16.385 773 2HB LYS 96 HB1 LYS 96 20.457 2.958 -18.017 774 1HG LYS 96 HG2 LYS 96 19.713 5.291 -18.405 775 2HG LYS 96 HG1 LYS 96 20.338 5.711 -16.808 776 1HD LYS 96 HD2 LYS 96 22.575 5.059 -17.475 777 2HD LYS 96 HD1 LYS 96 21.976 4.514 -19.043 778 1HE LYS 96 HE2 LYS 96 22.999 6.676 -19.296 779 2HE LYS 96 HE1 LYS 96 21.259 6.828 -19.528 780 1HZ LYS 96 HZ1 LYS 96 22.668 7.446 -16.988 781 2HZ LYS 96 HZ2 LYS 96 21.035 7.745 -17.340 782 3HZ LYS 96 HZ3 LYS 96 22.246 8.603 -18.152 783 H GLN 97 HN GLN 97 18.841 2.055 -14.524 784 HA GLN 97 HA GLN 97 18.796 -0.587 -15.675 785 1HB GLN 97 HB2 GLN 97 20.058 -0.084 -13.615 786 2HB GLN 97 HB1 GLN 97 18.561 0.325 -12.797 787 1HG GLN 97 HG2 GLN 97 18.944 -2.390 -13.981 788 2HG GLN 97 HG1 GLN 97 19.642 -1.986 -12.414 789 1HE2 GLN 97 HE21 GLN 97 17.401 -0.164 -11.812 790 2HE2 GLN 97 HE22 GLN 97 16.089 -1.191 -11.367 791 H ILE 98 HN ILE 98 16.570 1.560 -13.969 792 HA ILE 98 HA ILE 98 14.372 -0.207 -13.808 793 HB ILE 98 HB ILE 98 14.369 2.811 -14.006 794 1HG1 ILE 98 HG12 ILE 98 14.223 1.043 -11.557 795 2HG1 ILE 98 HG11 ILE 98 15.681 1.862 -12.107 796 1HG2 ILE 98 HG21 ILE 98 12.212 0.929 -13.056 797 2HG2 ILE 98 HG22 ILE 98 12.178 1.905 -14.524 798 3HG2 ILE 98 HG23 ILE 98 12.159 2.688 -12.945 799 1HD1 ILE 98 HD11 ILE 98 14.585 4.019 -11.784 800 2HD1 ILE 98 HD12 ILE 98 14.619 3.074 -10.297 801 3HD1 ILE 98 HD13 ILE 98 13.128 3.193 -11.231 802 H ASP 99 HN ASP 99 15.529 1.954 -16.306 803 HA ASP 99 HA ASP 99 13.307 1.972 -18.007 804 1HB ASP 99 HB2 ASP 99 15.275 3.471 -18.218 805 2HB ASP 99 HB1 ASP 99 16.226 2.108 -18.793 806 H ASN 100 HN ASN 100 15.877 -0.375 -17.606 807 HA ASN 100 HA ASN 100 15.387 -1.893 -19.936 808 1HB ASN 100 HB2 ASN 100 17.459 -2.123 -18.645 809 2HB ASN 100 HB1 ASN 100 16.551 -2.763 -17.279 810 1HD2 ASN 100 HD21 ASN 100 17.610 -3.380 -20.556 811 2HD2 ASN 100 HD22 ASN 100 17.442 -5.100 -20.485 812 H LYS 101 HN LYS 101 13.978 -1.877 -16.748 813 HA LYS 101 HA LYS 101 12.300 -4.189 -17.320 814 1HB LYS 101 HB2 LYS 101 12.570 -2.424 -14.879 815 2HB LYS 101 HB1 LYS 101 11.483 -3.800 -14.986 816 1HG LYS 101 HG2 LYS 101 13.294 -5.328 -15.133 817 2HG LYS 101 HG1 LYS 101 14.459 -4.022 -15.359 818 1HD LYS 101 HD2 LYS 101 14.077 -3.240 -13.100 819 2HD LYS 101 HD1 LYS 101 12.801 -4.435 -12.869 820 1HE LYS 101 HE2 LYS 101 14.374 -6.236 -12.999 821 2HE LYS 101 HE1 LYS 101 15.669 -5.139 -13.476 822 1HZ LYS 101 HZ1 LYS 101 15.653 -5.857 -11.079 823 2HZ LYS 101 HZ2 LYS 101 14.260 -4.912 -10.869 824 3HZ LYS 101 HZ3 LYS 101 15.718 -4.187 -11.342 825 H GLY 102 HN GLY 102 12.138 -1.432 -18.630 826 1HA GLY 102 HA2 GLY 102 9.714 -0.222 -17.753 827 2HA GLY 102 HA1 GLY 102 10.549 0.105 -19.262 828 H GLU 103 HN GLU 103 10.473 -2.384 -20.472 829 HA GLU 103 HA GLU 103 7.577 -2.759 -20.829 830 1HB GLU 103 HB2 GLU 103 8.064 -3.404 -23.153 831 2HB GLU 103 HB1 GLU 103 8.591 -1.765 -22.803 832 1HG GLU 103 HG2 GLU 103 10.883 -2.498 -22.620 833 2HG GLU 103 HG1 GLU 103 10.389 -4.176 -22.845 834 H LEU 104 HN LEU 104 6.759 -4.810 -20.958 835 HA LEU 104 HA LEU 104 6.556 -6.958 -20.261 836 1HB LEU 104 HB2 LEU 104 9.204 -7.141 -21.695 837 2HB LEU 104 HB1 LEU 104 8.326 -8.539 -21.103 838 HG LEU 104 HG LEU 104 7.298 -6.596 -23.176 839 1HD1 LEU 104 HD11 LEU 104 9.147 -7.938 -24.023 840 2HD1 LEU 104 HD12 LEU 104 7.620 -8.437 -24.750 841 3HD1 LEU 104 HD13 LEU 104 8.347 -9.408 -23.469 842 1HD2 LEU 104 HD21 LEU 104 6.166 -9.198 -22.150 843 2HD2 LEU 104 HD22 LEU 104 5.516 -8.249 -23.488 844 3HD2 LEU 104 HD23 LEU 104 5.511 -7.587 -21.853 845 H GLU 105 HN GLU 105 6.881 -5.834 -18.120 846 HA GLU 105 HA GLU 105 9.404 -6.264 -16.786 847 1HB GLU 105 HB2 GLU 105 8.238 -5.300 -14.808 848 2HB GLU 105 HB1 GLU 105 8.188 -4.266 -16.227 849 1HG GLU 105 HG2 GLU 105 5.909 -6.101 -15.602 850 2HG GLU 105 HG1 GLU 105 6.069 -4.549 -14.784 851 H HIS 106 HN HIS 106 7.927 -8.582 -17.757 852 HA HIS 106 HA HIS 106 7.135 -10.617 -17.157 853 1HB HIS 106 HB2 HIS 106 8.618 -11.781 -15.460 854 2HB HIS 106 HB1 HIS 106 9.407 -11.109 -16.876 855 HD1 HIS 106 HD1 HIS 106 8.863 -10.263 -13.199 856 HD2 HIS 106 HD2 HIS 106 11.488 -9.455 -16.324 857 HE1 HIS 106 HE1 HIS 106 10.788 -9.022 -12.166 858 HE2 HIS 106 HE2 HIS 106 12.429 -8.668 -14.042 859 H HIS 107 HN HIS 107 5.073 -10.237 -16.468 860 HA HIS 107 HA HIS 107 4.370 -9.513 -13.822 861 1HB HIS 107 HB2 HIS 107 2.872 -10.878 -16.049 862 2HB HIS 107 HB1 HIS 107 2.136 -10.628 -14.471 863 HD1 HIS 107 HD1 HIS 107 2.316 -9.097 -17.675 864 HD2 HIS 107 HD2 HIS 107 2.313 -7.684 -13.760 865 HE1 HIS 107 HE1 HIS 107 1.676 -6.668 -17.827 866 HE2 HIS 107 HE2 HIS 107 1.433 -5.917 -15.432 867 H HIS 108 HN HIS 108 5.254 -12.502 -15.322 868 HA HIS 108 HA HIS 108 5.012 -13.804 -12.702 869 1HB HIS 108 HB2 HIS 108 4.751 -15.968 -13.832 870 2HB HIS 108 HB1 HIS 108 3.463 -14.859 -14.272 871 HD1 HIS 108 HD1 HIS 108 5.770 -17.197 -15.701 872 HD2 HIS 108 HD2 HIS 108 4.017 -13.641 -16.965 873 HE1 HIS 108 HE1 HIS 108 5.999 -17.181 -18.206 874 HE2 HIS 108 HE2 HIS 108 5.067 -14.953 -18.939 875 H HIS 109 HN HIS 109 6.945 -13.722 -11.833 876 HA HIS 109 HA HIS 109 9.349 -13.748 -13.451 877 1HB HIS 109 HB2 HIS 109 9.078 -12.226 -11.508 878 2HB HIS 109 HB1 HIS 109 9.016 -13.620 -10.442 879 HD1 HIS 109 HD1 HIS 109 11.526 -12.830 -13.218 880 HD2 HIS 109 HD2 HIS 109 11.371 -13.518 -9.113 881 HE1 HIS 109 HE1 HIS 109 13.912 -12.809 -12.433 882 HE2 HIS 109 HE2 HIS 109 13.785 -13.045 -9.927 883 H HIS 110 HN HIS 110 7.382 -16.094 -12.501 884 HA HIS 110 HA HIS 110 7.535 -18.352 -12.505 885 1HB HIS 110 HB2 HIS 110 9.325 -18.041 -14.224 886 2HB HIS 110 HB1 HIS 110 10.513 -18.008 -12.927 887 HD1 HIS 110 HD1 HIS 110 11.711 -20.110 -13.755 888 HD2 HIS 110 HD2 HIS 110 7.682 -20.710 -12.918 889 HE1 HIS 110 HE1 HIS 110 11.372 -22.603 -13.789 890 HE2 HIS 110 HE2 HIS 110 8.886 -22.918 -13.512 891 H HIS 111 HN HIS 111 6.949 -18.838 -10.517 892 HA HIS 111 HA HIS 111 8.971 -18.713 -8.379 893 1HB HIS 111 HB2 HIS 111 6.918 -17.272 -8.122 894 2HB HIS 111 HB1 HIS 111 5.957 -18.745 -8.080 895 HD1 HIS 111 HD1 HIS 111 8.064 -16.549 -5.992 896 HD2 HIS 111 HD2 HIS 111 6.332 -20.323 -5.719 897 HE1 HIS 111 HE1 HIS 111 8.163 -17.167 -3.559 898 HE2 HIS 111 HE2 HIS 111 6.892 -19.332 -3.392 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -4.411 0.491 0.034 2 2H MET 1 HT2 MET 1 -5.982 0.726 -0.556 3 3H MET 1 HT3 MET 1 -5.347 -0.842 -0.437 4 HA MET 1 HA MET 1 -5.199 -0.558 1.993 5 1HB MET 1 HB2 MET 1 -6.849 1.910 1.380 6 2HB MET 1 HB1 MET 1 -6.523 1.271 2.986 7 1HG MET 1 HG2 MET 1 -4.173 1.741 2.746 8 2HG MET 1 HG1 MET 1 -4.412 2.249 1.077 9 1HE MET 1 HE1 MET 1 -5.086 3.090 4.855 10 2HE MET 1 HE2 MET 1 -6.716 3.014 4.186 11 3HE MET 1 HE3 MET 1 -6.056 4.557 4.726 12 H PHE 2 HN PHE 2 -7.432 -0.581 3.349 13 HA PHE 2 HA PHE 2 -9.225 -2.251 1.733 14 1HB PHE 2 HB2 PHE 2 -8.921 -2.123 4.742 15 2HB PHE 2 HB1 PHE 2 -9.944 -3.245 3.853 16 HD1 PHE 2 HD1 PHE 2 -8.867 -4.948 2.358 17 HD2 PHE 2 HD2 PHE 2 -6.643 -2.574 5.103 18 HE1 PHE 2 HE1 PHE 2 -6.999 -6.544 2.222 19 HE2 PHE 2 HE2 PHE 2 -4.773 -4.165 4.969 20 HZ PHE 2 HZ PHE 2 -4.948 -6.152 3.526 21 H THR 3 HN THR 3 -11.255 -1.605 1.337 22 HA THR 3 HA THR 3 -12.384 0.501 3.064 23 HB THR 3 HB THR 3 -13.443 1.558 1.086 24 HG1 THR 3 HG1 THR 3 -11.893 -0.392 -0.279 25 1HG2 THR 3 HG21 THR 3 -11.430 2.648 0.195 26 2HG2 THR 3 HG22 THR 3 -10.430 1.397 0.936 27 3HG2 THR 3 HG23 THR 3 -11.363 2.497 1.950 28 H ALA 4 HN ALA 4 -14.698 0.556 3.145 29 HA ALA 4 HA ALA 4 -16.013 -1.882 2.130 30 1HB ALA 4 HB1 ALA 4 -16.500 -0.570 4.803 31 2HB ALA 4 HB2 ALA 4 -15.631 -2.081 4.543 32 3HB ALA 4 HB3 ALA 4 -17.350 -1.976 4.166 33 H LYS 5 HN LYS 5 -17.997 -1.600 1.213 34 HA LYS 5 HA LYS 5 -19.000 1.168 1.106 35 1HB LYS 5 HB2 LYS 5 -17.997 0.609 -1.009 36 2HB LYS 5 HB1 LYS 5 -18.865 -0.916 -1.071 37 1HG LYS 5 HG2 LYS 5 -20.953 0.217 -1.388 38 2HG LYS 5 HG1 LYS 5 -20.183 1.784 -1.144 39 1HD LYS 5 HD2 LYS 5 -20.617 1.242 -3.532 40 2HD LYS 5 HD1 LYS 5 -18.918 1.547 -3.172 41 1HE LYS 5 HE2 LYS 5 -19.888 -1.260 -3.049 42 2HE LYS 5 HE1 LYS 5 -19.708 -0.521 -4.637 43 1HZ LYS 5 HZ1 LYS 5 -17.420 -0.153 -4.258 44 2HZ LYS 5 HZ2 LYS 5 -17.717 -1.755 -3.790 45 3HZ LYS 5 HZ3 LYS 5 -17.542 -0.546 -2.617 46 H LEU 6 HN LEU 6 -20.879 1.351 2.079 47 HA LEU 6 HA LEU 6 -22.608 -0.818 2.697 48 1HB LEU 6 HB2 LEU 6 -22.384 1.369 3.954 49 2HB LEU 6 HB1 LEU 6 -23.264 2.138 2.654 50 HG LEU 6 HG LEU 6 -24.592 1.616 4.734 51 1HD1 LEU 6 HD11 LEU 6 -26.570 0.855 3.528 52 2HD1 LEU 6 HD12 LEU 6 -25.558 0.394 2.158 53 3HD1 LEU 6 HD13 LEU 6 -25.691 2.090 2.624 54 1HD2 LEU 6 HD21 LEU 6 -25.396 -0.675 5.020 55 2HD2 LEU 6 HD22 LEU 6 -23.648 -0.566 5.236 56 3HD2 LEU 6 HD23 LEU 6 -24.312 -1.213 3.736 57 H ILE 7 HN ILE 7 -24.084 -1.779 1.419 58 HA ILE 7 HA ILE 7 -24.854 -0.367 -1.057 59 HB ILE 7 HB ILE 7 -25.047 -2.501 -2.188 60 1HG1 ILE 7 HG12 ILE 7 -23.898 -3.895 0.221 61 2HG1 ILE 7 HG11 ILE 7 -25.638 -3.721 0.023 62 1HG2 ILE 7 HG21 ILE 7 -22.412 -2.295 -0.737 63 2HG2 ILE 7 HG22 ILE 7 -22.864 -1.398 -2.189 64 3HG2 ILE 7 HG23 ILE 7 -22.699 -3.153 -2.251 65 1HD1 ILE 7 HD11 ILE 7 -25.564 -4.967 -2.036 66 2HD1 ILE 7 HD12 ILE 7 -24.788 -5.890 -0.749 67 3HD1 ILE 7 HD13 ILE 7 -23.806 -5.056 -1.954 68 H LYS 8 HN LYS 8 -25.958 -2.325 1.627 69 HA LYS 8 HA LYS 8 -28.542 -2.776 0.362 70 1HB LYS 8 HB2 LYS 8 -27.042 -4.486 1.643 71 2HB LYS 8 HB1 LYS 8 -27.767 -3.777 3.077 72 1HG LYS 8 HG2 LYS 8 -29.973 -4.397 2.313 73 2HG LYS 8 HG1 LYS 8 -29.297 -5.018 0.802 74 1HD LYS 8 HD2 LYS 8 -27.942 -6.619 2.157 75 2HD LYS 8 HD1 LYS 8 -28.820 -6.072 3.586 76 1HE LYS 8 HE2 LYS 8 -30.067 -7.311 1.136 77 2HE LYS 8 HE1 LYS 8 -29.744 -8.154 2.650 78 1HZ LYS 8 HZ1 LYS 8 -32.026 -7.480 2.569 79 2HZ LYS 8 HZ2 LYS 8 -31.604 -5.869 2.259 80 3HZ LYS 8 HZ3 LYS 8 -31.238 -6.565 3.760 81 H GLY 9 HN GLY 9 -27.861 -0.086 1.302 82 1HA GLY 9 HA2 GLY 9 -30.254 0.397 2.844 83 2HA GLY 9 HA1 GLY 9 -28.769 0.717 3.728 84 H LYS 10 HN LYS 10 -28.357 2.795 3.782 85 HA LYS 10 HA LYS 10 -28.197 4.386 1.425 86 1HB LYS 10 HB2 LYS 10 -29.841 6.107 2.152 87 2HB LYS 10 HB1 LYS 10 -30.594 4.581 1.715 88 1HG LYS 10 HG2 LYS 10 -30.833 4.015 4.073 89 2HG LYS 10 HG1 LYS 10 -30.052 5.531 4.522 90 1HD LYS 10 HD2 LYS 10 -32.448 5.767 4.720 91 2HD LYS 10 HD1 LYS 10 -31.870 6.763 3.385 92 1HE LYS 10 HE2 LYS 10 -33.883 5.653 2.700 93 2HE LYS 10 HE1 LYS 10 -32.525 4.956 1.818 94 1HZ LYS 10 HZ1 LYS 10 -33.990 3.225 2.584 95 2HZ LYS 10 HZ2 LYS 10 -33.883 3.769 4.183 96 3HZ LYS 10 HZ3 LYS 10 -32.522 3.108 3.421 97 H THR 11 HN THR 11 -28.449 4.392 4.966 98 HA THR 11 HA THR 11 -25.776 5.508 5.126 99 HB THR 11 HB THR 11 -28.086 6.894 6.514 100 HG1 THR 11 HG1 THR 11 -27.158 7.211 4.047 101 1HG2 THR 11 HG21 THR 11 -25.137 7.542 6.441 102 2HG2 THR 11 HG22 THR 11 -26.019 6.899 7.828 103 3HG2 THR 11 HG23 THR 11 -26.389 8.512 7.219 104 H TYR 12 HN TYR 12 -24.706 4.435 6.667 105 HA TYR 12 HA TYR 12 -26.169 3.382 8.976 106 1HB TYR 12 HB2 TYR 12 -26.020 1.625 7.151 107 2HB TYR 12 HB1 TYR 12 -24.275 1.665 7.357 108 HD1 TYR 12 HD2 TYR 12 -27.466 0.840 9.031 109 HD2 TYR 12 HD1 TYR 12 -23.228 0.508 9.147 110 HE1 TYR 12 HE2 TYR 12 -27.653 -0.832 10.824 111 HE2 TYR 12 HE1 TYR 12 -23.399 -1.164 10.938 112 HH TYR 12 HH TYR 12 -26.319 -2.695 11.749 113 H ASN 13 HN ASN 13 -25.142 4.056 10.723 114 HA ASN 13 HA ASN 13 -22.360 4.916 10.529 115 1HB ASN 13 HB2 ASN 13 -24.110 6.377 11.571 116 2HB ASN 13 HB1 ASN 13 -24.285 5.186 12.853 117 1HD2 ASN 13 HD21 ASN 13 -23.465 7.994 12.952 118 2HD2 ASN 13 HD22 ASN 13 -21.908 8.005 13.708 119 H VAL 14 HN VAL 14 -20.804 3.535 10.986 120 HA VAL 14 HA VAL 14 -21.312 1.376 12.922 121 HB VAL 14 HB VAL 14 -19.186 1.584 10.787 122 1HG1 VAL 14 HG11 VAL 14 -18.596 -0.722 11.394 123 2HG1 VAL 14 HG12 VAL 14 -19.732 -0.645 12.742 124 3HG1 VAL 14 HG13 VAL 14 -18.315 0.408 12.721 125 1HG2 VAL 14 HG21 VAL 14 -21.604 -0.197 10.999 126 2HG2 VAL 14 HG22 VAL 14 -20.364 -0.302 9.749 127 3HG2 VAL 14 HG23 VAL 14 -21.379 1.135 9.865 128 H MET 15 HN MET 15 -20.875 2.405 14.833 129 HA MET 15 HA MET 15 -19.598 3.008 16.617 130 1HB MET 15 HB2 MET 15 -17.328 1.949 14.923 131 2HB MET 15 HB1 MET 15 -17.251 2.268 16.650 132 1HG MET 15 HG2 MET 15 -18.926 0.551 17.055 133 2HG MET 15 HG1 MET 15 -19.039 0.242 15.323 134 1HE MET 15 HE1 MET 15 -18.552 -2.117 17.307 135 2HE MET 15 HE2 MET 15 -17.234 -2.985 16.519 136 3HE MET 15 HE3 MET 15 -18.555 -2.320 15.556 137 H GLY 16 HN GLY 16 -19.956 4.888 14.282 138 1HA GLY 16 HA2 GLY 16 -19.304 7.249 14.721 139 2HA GLY 16 HA1 GLY 16 -17.653 6.653 14.845 140 H ILE 17 HN ILE 17 -17.944 4.764 12.664 141 HA ILE 17 HA ILE 17 -17.324 6.569 10.502 142 HB ILE 17 HB ILE 17 -17.623 3.586 10.211 143 1HG1 ILE 17 HG12 ILE 17 -16.208 3.950 12.184 144 2HG1 ILE 17 HG11 ILE 17 -15.258 3.330 10.836 145 1HG2 ILE 17 HG21 ILE 17 -15.882 3.894 8.507 146 2HG2 ILE 17 HG22 ILE 17 -15.858 5.623 8.854 147 3HG2 ILE 17 HG23 ILE 17 -17.307 4.879 8.179 148 1HD1 ILE 17 HD11 ILE 17 -14.070 5.067 12.046 149 2HD1 ILE 17 HD12 ILE 17 -15.384 6.200 11.730 150 3HD1 ILE 17 HD13 ILE 17 -14.420 5.573 10.393 151 H THR 18 HN THR 18 -18.945 7.506 9.407 152 HA THR 18 HA THR 18 -21.541 6.176 9.320 153 HB THR 18 HB THR 18 -20.844 8.929 8.294 154 HG1 THR 18 HG1 THR 18 -20.635 8.147 10.750 155 1HG2 THR 18 HG21 THR 18 -23.457 7.705 9.193 156 2HG2 THR 18 HG22 THR 18 -22.991 8.021 7.522 157 3HG2 THR 18 HG23 THR 18 -23.231 9.364 8.641 158 H PHE 19 HN PHE 19 -21.562 4.654 7.755 159 HA PHE 19 HA PHE 19 -20.360 5.163 5.164 160 1HB PHE 19 HB2 PHE 19 -21.903 2.786 6.220 161 2HB PHE 19 HB1 PHE 19 -21.159 2.868 4.628 162 HD1 PHE 19 HD1 PHE 19 -18.735 2.849 4.388 163 HD2 PHE 19 HD2 PHE 19 -20.600 2.429 8.187 164 HE1 PHE 19 HE1 PHE 19 -16.629 1.988 5.321 165 HE2 PHE 19 HE2 PHE 19 -18.497 1.572 9.126 166 HZ PHE 19 HZ PHE 19 -16.511 1.351 7.696 167 H ARG 20 HN ARG 20 -21.458 5.411 3.245 168 HA ARG 20 HA ARG 20 -24.385 5.637 3.444 169 1HB ARG 20 HB2 ARG 20 -22.550 7.396 1.802 170 2HB ARG 20 HB1 ARG 20 -24.305 7.497 1.836 171 1HG ARG 20 HG2 ARG 20 -24.201 8.048 4.232 172 2HG ARG 20 HG1 ARG 20 -22.441 8.014 4.144 173 1HD ARG 20 HD2 ARG 20 -24.278 9.879 2.649 174 2HD ARG 20 HD1 ARG 20 -23.264 10.295 4.027 175 HE ARG 20 HE ARG 20 -22.433 9.959 1.280 176 1HH1 ARG 20 HH11 ARG 20 -21.375 10.089 4.619 177 2HH1 ARG 20 HH12 ARG 20 -19.772 10.618 4.220 178 1HH2 ARG 20 HH21 ARG 20 -20.326 10.665 0.753 179 2HH2 ARG 20 HH22 ARG 20 -19.181 10.955 2.030 180 H ALA 21 HN ALA 21 -25.573 4.842 1.735 181 HA ALA 21 HA ALA 21 -24.632 2.630 0.389 182 1HB ALA 21 HB1 ALA 21 -26.881 4.428 -0.490 183 2HB ALA 21 HB2 ALA 21 -27.002 3.129 0.695 184 3HB ALA 21 HB3 ALA 21 -26.630 2.755 -0.989 185 H GLY 22 HN GLY 22 -23.154 2.396 -1.117 186 1HA GLY 22 HA2 GLY 22 -22.488 2.579 -3.380 187 2HA GLY 22 HA1 GLY 22 -23.236 4.166 -3.449 188 H VAL 23 HN VAL 23 -21.468 3.998 -0.630 189 HA VAL 23 HA VAL 23 -19.142 5.225 -1.967 190 HB VAL 23 HB VAL 23 -20.172 5.874 0.799 191 1HG1 VAL 23 HG11 VAL 23 -18.074 7.200 -0.911 192 2HG1 VAL 23 HG12 VAL 23 -17.784 6.243 0.542 193 3HG1 VAL 23 HG13 VAL 23 -18.639 7.783 0.655 194 1HG2 VAL 23 HG21 VAL 23 -20.473 7.450 -1.756 195 2HG2 VAL 23 HG22 VAL 23 -20.955 7.987 -0.147 196 3HG2 VAL 23 HG23 VAL 23 -21.766 6.613 -0.898 197 H SER 24 HN SER 24 -17.513 3.799 -1.936 198 HA SER 24 HA SER 24 -17.005 2.022 0.250 199 1HB SER 24 HB2 SER 24 -15.269 2.904 -2.068 200 2HB SER 24 HB1 SER 24 -14.792 1.682 -0.893 201 HG SER 24 HG SER 24 -15.686 0.469 -2.406 202 H GLN 25 HN GLN 25 -16.273 2.631 2.167 203 HA GLN 25 HA GLN 25 -14.562 5.025 2.318 204 1HB GLN 25 HB2 GLN 25 -16.500 3.955 4.380 205 2HB GLN 25 HB1 GLN 25 -15.479 5.375 4.580 206 1HG GLN 25 HG2 GLN 25 -16.620 6.516 2.803 207 2HG GLN 25 HG1 GLN 25 -17.550 5.073 2.419 208 1HE2 GLN 25 HE21 GLN 25 -16.894 6.137 5.690 209 2HE2 GLN 25 HE22 GLN 25 -18.523 6.586 6.065 210 H THR 26 HN THR 26 -12.818 4.998 3.763 211 HA THR 26 HA THR 26 -11.413 2.543 3.761 212 HB THR 26 HB THR 26 -9.753 3.889 5.179 213 HG1 THR 26 HG1 THR 26 -11.531 5.389 5.825 214 1HG2 THR 26 HG21 THR 26 -10.606 4.977 2.491 215 2HG2 THR 26 HG22 THR 26 -9.511 3.620 2.757 216 3HG2 THR 26 HG23 THR 26 -9.043 5.245 3.260 217 H VAL 27 HN VAL 27 -11.173 1.008 5.281 218 HA VAL 27 HA VAL 27 -11.996 1.621 8.034 219 HB VAL 27 HB VAL 27 -13.082 -0.571 8.259 220 1HG1 VAL 27 HG11 VAL 27 -15.114 -0.082 6.982 221 2HG1 VAL 27 HG12 VAL 27 -14.221 1.114 6.041 222 3HG1 VAL 27 HG13 VAL 27 -14.461 1.355 7.772 223 1HG2 VAL 27 HG21 VAL 27 -12.682 -0.805 5.277 224 2HG2 VAL 27 HG22 VAL 27 -13.645 -1.895 6.272 225 3HG2 VAL 27 HG23 VAL 27 -11.900 -1.790 6.512 226 HA PRO 28 HA PRO 28 -8.238 -0.583 9.100 227 1HB PRO 28 HB2 PRO 28 -9.575 -1.165 11.659 228 2HB PRO 28 HB1 PRO 28 -8.099 -0.248 11.354 229 1HG PRO 28 HG2 PRO 28 -10.382 0.948 12.127 230 2HG PRO 28 HG1 PRO 28 -9.235 1.729 11.022 231 1HD PRO 28 HD2 PRO 28 -11.821 0.352 10.410 232 2HD PRO 28 HD1 PRO 28 -11.145 1.839 9.713 233 H LYS 29 HN LYS 29 -7.621 -2.787 9.745 234 HA LYS 29 HA LYS 29 -9.114 -4.706 8.357 235 1HB LYS 29 HB2 LYS 29 -6.694 -4.889 8.762 236 2HB LYS 29 HB1 LYS 29 -7.003 -5.170 10.471 237 1HG LYS 29 HG2 LYS 29 -8.049 -7.256 10.022 238 2HG LYS 29 HG1 LYS 29 -8.053 -6.947 8.285 239 1HD LYS 29 HD2 LYS 29 -5.617 -7.032 8.253 240 2HD LYS 29 HD1 LYS 29 -5.592 -7.289 9.999 241 1HE LYS 29 HE2 LYS 29 -5.300 -9.374 8.679 242 2HE LYS 29 HE1 LYS 29 -6.685 -9.411 9.766 243 1HZ LYS 29 HZ1 LYS 29 -7.157 -10.309 7.531 244 2HZ LYS 29 HZ2 LYS 29 -6.851 -8.782 6.866 245 3HZ LYS 29 HZ3 LYS 29 -8.149 -8.998 7.937 246 H LYS 30 HN LYS 30 -9.154 -3.808 11.748 247 HA LYS 30 HA LYS 30 -10.656 -5.977 12.727 248 1HB LYS 30 HB2 LYS 30 -10.574 -3.103 13.655 249 2HB LYS 30 HB1 LYS 30 -11.334 -4.414 14.548 250 1HG LYS 30 HG2 LYS 30 -9.164 -5.549 14.708 251 2HG LYS 30 HG1 LYS 30 -8.413 -4.204 13.847 252 1HD LYS 30 HD2 LYS 30 -9.837 -4.029 16.503 253 2HD LYS 30 HD1 LYS 30 -8.090 -4.011 16.265 254 1HE LYS 30 HE2 LYS 30 -8.295 -1.946 14.960 255 2HE LYS 30 HE1 LYS 30 -10.041 -1.968 15.202 256 1HZ LYS 30 HZ1 LYS 30 -9.618 -1.828 17.615 257 2HZ LYS 30 HZ2 LYS 30 -9.045 -0.475 16.768 258 3HZ LYS 30 HZ3 LYS 30 -7.958 -1.664 17.302 259 H LEU 31 HN LEU 31 -11.723 -2.816 11.468 260 HA LEU 31 HA LEU 31 -14.497 -3.470 11.718 261 1HB LEU 31 HB2 LEU 31 -13.098 -1.271 10.197 262 2HB LEU 31 HB1 LEU 31 -14.841 -1.425 10.307 263 HG LEU 31 HG LEU 31 -12.941 -0.918 12.599 264 1HD1 LEU 31 HD11 LEU 31 -15.052 0.805 11.312 265 2HD1 LEU 31 HD12 LEU 31 -13.306 1.030 11.198 266 3HD1 LEU 31 HD13 LEU 31 -14.121 1.224 12.750 267 1HD2 LEU 31 HD21 LEU 31 -14.776 -2.341 13.326 268 2HD2 LEU 31 HD22 LEU 31 -15.941 -1.232 12.604 269 3HD2 LEU 31 HD23 LEU 31 -14.960 -0.712 13.974 270 H TYR 32 HN TYR 32 -12.077 -3.771 9.235 271 HA TYR 32 HA TYR 32 -13.619 -4.354 7.000 272 1HB TYR 32 HB2 TYR 32 -11.175 -4.124 6.944 273 2HB TYR 32 HB1 TYR 32 -11.001 -5.593 7.892 274 HD1 TYR 32 HD2 TYR 32 -11.465 -7.792 6.867 275 HD2 TYR 32 HD1 TYR 32 -11.582 -4.205 4.581 276 HE1 TYR 32 HE2 TYR 32 -11.325 -9.114 4.802 277 HE2 TYR 32 HE1 TYR 32 -11.441 -5.518 2.508 278 HH TYR 32 HH TYR 32 -11.996 -8.792 2.356 279 H GLU 33 HN GLU 33 -12.469 -6.532 9.559 280 HA GLU 33 HA GLU 33 -13.787 -8.831 8.503 281 1HB GLU 33 HB2 GLU 33 -11.773 -8.717 10.114 282 2HB GLU 33 HB1 GLU 33 -12.972 -8.491 11.380 283 1HG GLU 33 HG2 GLU 33 -12.376 -10.802 11.287 284 2HG GLU 33 HG1 GLU 33 -14.028 -10.623 10.699 285 H TYR 34 HN TYR 34 -14.610 -6.348 10.848 286 HA TYR 34 HA TYR 34 -16.893 -7.600 11.938 287 1HB TYR 34 HB2 TYR 34 -15.748 -5.649 12.972 288 2HB TYR 34 HB1 TYR 34 -16.358 -4.631 11.671 289 HD1 TYR 34 HD1 TYR 34 -17.311 -6.616 14.627 290 HD2 TYR 34 HD2 TYR 34 -18.632 -3.855 11.670 291 HE1 TYR 34 HE1 TYR 34 -19.374 -6.237 15.910 292 HE2 TYR 34 HE2 TYR 34 -20.696 -3.467 12.948 293 HH TYR 34 HH TYR 34 -22.079 -4.840 14.661 294 H LEU 35 HN LEU 35 -16.462 -5.435 9.160 295 HA LEU 35 HA LEU 35 -19.297 -5.431 8.617 296 1HB LEU 35 HB2 LEU 35 -16.979 -4.368 7.006 297 2HB LEU 35 HB1 LEU 35 -18.672 -4.134 6.606 298 HG LEU 35 HG LEU 35 -17.238 -3.076 9.041 299 1HD1 LEU 35 HD11 LEU 35 -16.755 -1.852 6.999 300 2HD1 LEU 35 HD12 LEU 35 -17.773 -0.893 8.074 301 3HD1 LEU 35 HD13 LEU 35 -18.480 -1.693 6.670 302 1HD2 LEU 35 HD21 LEU 35 -20.145 -2.842 8.264 303 2HD2 LEU 35 HD22 LEU 35 -19.365 -1.990 9.597 304 3HD2 LEU 35 HD23 LEU 35 -19.500 -3.749 9.633 305 H ASN 36 HN ASN 36 -16.545 -7.302 7.706 306 HA ASN 36 HA ASN 36 -17.679 -8.667 5.499 307 1HB ASN 36 HB2 ASN 36 -15.294 -8.844 6.065 308 2HB ASN 36 HB1 ASN 36 -15.698 -9.629 7.586 309 1HD2 ASN 36 HD21 ASN 36 -14.551 -11.467 7.146 310 2HD2 ASN 36 HD22 ASN 36 -15.039 -12.615 5.935 311 H GLU 37 HN GLU 37 -18.124 -8.797 8.911 312 HA GLU 37 HA GLU 37 -19.608 -11.255 8.991 313 1HB GLU 37 HB2 GLU 37 -18.311 -10.339 10.911 314 2HB GLU 37 HB1 GLU 37 -19.445 -9.000 11.004 315 1HG GLU 37 HG2 GLU 37 -20.103 -10.490 12.675 316 2HG GLU 37 HG1 GLU 37 -21.249 -10.736 11.358 317 H ASN 38 HN ASN 38 -20.320 -8.089 8.001 318 HA ASN 38 HA ASN 38 -23.177 -8.434 8.608 319 1HB ASN 38 HB2 ASN 38 -21.475 -5.963 8.541 320 2HB ASN 38 HB1 ASN 38 -23.227 -5.871 8.371 321 1HD2 ASN 38 HD21 ASN 38 -20.583 -6.573 10.521 322 2HD2 ASN 38 HD22 ASN 38 -21.524 -6.617 11.972 323 HA PRO 39 HA PRO 39 -23.309 -8.725 4.139 324 1HB PRO 39 HB2 PRO 39 -26.131 -9.324 4.404 325 2HB PRO 39 HB1 PRO 39 -24.812 -10.391 3.927 326 1HG PRO 39 HG2 PRO 39 -26.173 -10.633 6.272 327 2HG PRO 39 HG1 PRO 39 -24.495 -11.158 6.054 328 1HD PRO 39 HD2 PRO 39 -25.558 -8.674 7.338 329 2HD PRO 39 HD1 PRO 39 -24.201 -9.711 7.823 330 H TYR 40 HN TYR 40 -23.616 -6.059 5.262 331 HA TYR 40 HA TYR 40 -25.787 -5.037 3.533 332 1HB TYR 40 HB2 TYR 40 -24.380 -3.364 5.598 333 2HB TYR 40 HB1 TYR 40 -25.958 -3.112 4.871 334 HD1 TYR 40 HD2 TYR 40 -27.826 -4.781 5.524 335 HD2 TYR 40 HD1 TYR 40 -24.172 -4.364 7.650 336 HE1 TYR 40 HE2 TYR 40 -28.864 -5.809 7.501 337 HE2 TYR 40 HE1 TYR 40 -25.189 -5.381 9.627 338 HH TYR 40 HH TYR 40 -28.228 -6.979 9.531 339 H PHE 41 HN PHE 41 -22.561 -5.586 3.557 340 HA PHE 41 HA PHE 41 -21.891 -3.087 2.159 341 1HB PHE 41 HB2 PHE 41 -20.153 -4.626 4.102 342 2HB PHE 41 HB1 PHE 41 -19.634 -3.230 3.169 343 HD1 PHE 41 HD1 PHE 41 -21.898 -4.342 5.873 344 HD2 PHE 41 HD2 PHE 41 -20.081 -1.042 3.891 345 HE1 PHE 41 HE1 PHE 41 -22.638 -2.853 7.684 346 HE2 PHE 41 HE2 PHE 41 -20.819 0.454 5.698 347 HZ PHE 41 HZ PHE 41 -22.100 -0.450 7.599 348 H ILE 42 HN ILE 42 -20.781 -3.269 0.308 349 HA ILE 42 HA ILE 42 -19.437 -5.829 -0.263 350 HB ILE 42 HB ILE 42 -20.344 -3.659 -2.170 351 1HG1 ILE 42 HG12 ILE 42 -21.041 -6.598 -1.971 352 2HG1 ILE 42 HG11 ILE 42 -22.068 -5.267 -1.451 353 1HG2 ILE 42 HG21 ILE 42 -19.363 -5.014 -3.967 354 2HG2 ILE 42 HG22 ILE 42 -18.677 -6.104 -2.764 355 3HG2 ILE 42 HG23 ILE 42 -18.136 -4.427 -2.845 356 1HD1 ILE 42 HD11 ILE 42 -21.183 -5.824 -4.273 357 2HD1 ILE 42 HD12 ILE 42 -22.198 -4.476 -3.762 358 3HD1 ILE 42 HD13 ILE 42 -22.781 -6.133 -3.597 359 H LEU 43 HN LEU 43 -17.361 -5.756 0.244 360 HA LEU 43 HA LEU 43 -16.169 -3.190 0.806 361 1HB LEU 43 HB2 LEU 43 -15.189 -6.014 1.235 362 2HB LEU 43 HB1 LEU 43 -14.253 -4.592 1.654 363 HG LEU 43 HG LEU 43 -16.235 -3.928 3.144 364 1HD1 LEU 43 HD11 LEU 43 -17.614 -5.771 3.959 365 2HD1 LEU 43 HD12 LEU 43 -16.903 -6.839 2.749 366 3HD1 LEU 43 HD13 LEU 43 -17.886 -5.466 2.242 367 1HD2 LEU 43 HD21 LEU 43 -14.109 -4.695 4.023 368 2HD2 LEU 43 HD22 LEU 43 -14.614 -6.372 3.823 369 3HD2 LEU 43 HD23 LEU 43 -15.448 -5.333 4.978 370 H THR 44 HN THR 44 -14.226 -2.439 -0.027 371 HA THR 44 HA THR 44 -13.527 -3.537 -2.670 372 HB THR 44 HB THR 44 -13.248 -0.651 -1.806 373 HG1 THR 44 HG1 THR 44 -15.357 -2.003 -3.164 374 1HG2 THR 44 HG21 THR 44 -11.758 -1.327 -3.620 375 2HG2 THR 44 HG22 THR 44 -13.009 -0.237 -4.216 376 3HG2 THR 44 HG23 THR 44 -13.133 -1.969 -4.523 377 H GLN 45 HN GLN 45 -11.673 -4.625 -2.404 378 HA GLN 45 HA GLN 45 -9.699 -3.659 -0.485 379 1HB GLN 45 HB2 GLN 45 -9.623 -6.195 -2.125 380 2HB GLN 45 HB1 GLN 45 -8.589 -5.784 -0.767 381 1HG GLN 45 HG2 GLN 45 -10.106 -7.307 0.103 382 2HG GLN 45 HG1 GLN 45 -10.715 -5.742 0.629 383 1HE2 GLN 45 HE21 GLN 45 -11.064 -6.901 -2.648 384 2HE2 GLN 45 HE22 GLN 45 -12.775 -7.149 -2.588 385 H GLU 46 HN GLU 46 -8.274 -2.233 -1.215 386 HA GLU 46 HA GLU 46 -7.417 -2.398 -4.021 387 1HB GLU 46 HB2 GLU 46 -7.076 -0.118 -2.064 388 2HB GLU 46 HB1 GLU 46 -6.703 -0.082 -3.781 389 1HG GLU 46 HG2 GLU 46 -9.070 -0.377 -4.305 390 2HG GLU 46 HG1 GLU 46 -9.446 -0.421 -2.584 391 H LEU 47 HN LEU 47 -5.539 -3.417 -4.326 392 HA LEU 47 HA LEU 47 -3.626 -3.591 -2.138 393 1HB LEU 47 HB2 LEU 47 -4.326 -5.579 -3.559 394 2HB LEU 47 HB1 LEU 47 -3.424 -4.855 -4.873 395 HG LEU 47 HG LEU 47 -2.083 -5.486 -2.255 396 1HD1 LEU 47 HD11 LEU 47 -2.469 -7.352 -4.592 397 2HD1 LEU 47 HD12 LEU 47 -3.157 -7.543 -2.980 398 3HD1 LEU 47 HD13 LEU 47 -1.411 -7.640 -3.211 399 1HD2 LEU 47 HD21 LEU 47 -0.090 -5.624 -3.655 400 2HD2 LEU 47 HD22 LEU 47 -0.880 -4.060 -3.849 401 3HD2 LEU 47 HD23 LEU 47 -1.060 -5.300 -5.090 402 H ASN 48 HN ASN 48 -2.171 -2.031 -1.942 403 HA ASN 48 HA ASN 48 -1.545 -0.272 -4.137 404 1HB ASN 48 HB2 ASN 48 -0.496 -0.397 -1.299 405 2HB ASN 48 HB1 ASN 48 -0.035 0.836 -2.466 406 1HD2 ASN 48 HD21 ASN 48 -1.534 2.408 -3.063 407 2HD2 ASN 48 HD22 ASN 48 -2.982 2.696 -2.158 408 H ASN 49 HN ASN 49 -0.317 -1.155 -5.688 409 HA ASN 49 HA ASN 49 1.747 -3.065 -5.137 410 1HB ASN 49 HB2 ASN 49 0.465 -3.189 -7.218 411 2HB ASN 49 HB1 ASN 49 1.053 -1.600 -7.694 412 1HD2 ASN 49 HD21 ASN 49 2.037 -2.287 -9.553 413 2HD2 ASN 49 HD22 ASN 49 3.446 -3.290 -9.558 414 H GLN 50 HN GLN 50 3.576 -2.428 -4.198 415 HA GLN 50 HA GLN 50 4.865 0.029 -5.187 416 1HB GLN 50 HB2 GLN 50 4.256 -0.282 -2.668 417 2HB GLN 50 HB1 GLN 50 5.641 -1.365 -2.638 418 1HG GLN 50 HG2 GLN 50 6.491 0.680 -1.927 419 2HG GLN 50 HG1 GLN 50 6.966 0.580 -3.622 420 1HE2 GLN 50 HE21 GLN 50 6.040 1.983 -5.120 421 2HE2 GLN 50 HE22 GLN 50 5.082 3.345 -4.637 422 H LYS 51 HN LYS 51 5.665 -1.168 -7.016 423 HA LYS 51 HA LYS 51 7.571 -3.317 -6.383 424 1HB LYS 51 HB2 LYS 51 5.607 -3.530 -8.099 425 2HB LYS 51 HB1 LYS 51 6.674 -2.625 -9.163 426 1HG LYS 51 HG2 LYS 51 8.413 -4.377 -8.772 427 2HG LYS 51 HG1 LYS 51 7.187 -5.310 -7.910 428 1HD LYS 51 HD2 LYS 51 5.776 -5.139 -10.001 429 2HD LYS 51 HD1 LYS 51 7.211 -4.507 -10.811 430 1HE LYS 51 HE2 LYS 51 6.839 -7.217 -9.553 431 2HE LYS 51 HE1 LYS 51 7.120 -6.845 -11.252 432 1HZ LYS 51 HZ1 LYS 51 9.047 -6.496 -9.018 433 2HZ LYS 51 HZ2 LYS 51 9.335 -6.002 -10.617 434 3HZ LYS 51 HZ3 LYS 51 9.133 -7.650 -10.255 435 H ASP 52 HN ASP 52 7.415 -0.074 -7.141 436 HA ASP 52 HA ASP 52 9.703 0.149 -8.832 437 1HB ASP 52 HB2 ASP 52 9.494 2.608 -8.299 438 2HB ASP 52 HB1 ASP 52 8.063 1.872 -9.009 439 H ASP 53 HN ASP 53 11.706 -0.065 -8.257 440 HA ASP 53 HA ASP 53 13.591 -0.340 -7.049 441 1HB ASP 53 HB2 ASP 53 12.411 2.063 -5.673 442 2HB ASP 53 HB1 ASP 53 13.965 1.392 -5.190 443 HA PRO 54 HA PRO 54 11.598 -2.952 -3.887 444 1HB PRO 54 HB2 PRO 54 13.304 -5.068 -4.899 445 2HB PRO 54 HB1 PRO 54 11.544 -4.959 -4.927 446 1HG PRO 54 HG2 PRO 54 13.081 -4.816 -7.168 447 2HG PRO 54 HG1 PRO 54 11.504 -4.020 -7.015 448 1HD PRO 54 HD2 PRO 54 14.251 -2.852 -6.724 449 2HD PRO 54 HD1 PRO 54 12.823 -2.182 -7.544 450 H ILE 55 HN ILE 55 12.688 -1.880 -2.209 451 HA ILE 55 HA ILE 55 14.575 -3.539 -0.880 452 HB ILE 55 HB ILE 55 16.065 -2.328 -2.482 453 1HG1 ILE 55 HG12 ILE 55 17.773 -1.702 -0.803 454 2HG1 ILE 55 HG11 ILE 55 16.536 -1.732 0.448 455 1HG2 ILE 55 HG21 ILE 55 16.581 0.037 -2.075 456 2HG2 ILE 55 HG22 ILE 55 15.283 0.103 -0.880 457 3HG2 ILE 55 HG23 ILE 55 14.908 -0.205 -2.576 458 1HD1 ILE 55 HD11 ILE 55 16.193 -4.118 0.044 459 2HD1 ILE 55 HD12 ILE 55 17.862 -3.756 0.489 460 3HD1 ILE 55 HD13 ILE 55 17.448 -4.080 -1.195 461 H ASN 56 HN ASN 56 12.004 -2.155 -0.708 462 HA ASN 56 HA ASN 56 12.209 -1.064 1.942 463 1HB ASN 56 HB2 ASN 56 10.894 1.048 1.208 464 2HB ASN 56 HB1 ASN 56 12.635 1.013 0.986 465 1HD2 ASN 56 HD21 ASN 56 10.205 -0.562 -1.072 466 2HD2 ASN 56 HD22 ASN 56 10.566 0.373 -2.487 467 H TYR 57 HN TYR 57 10.780 -2.432 2.798 468 HA TYR 57 HA TYR 57 8.026 -2.360 1.838 469 1HB TYR 57 HB2 TYR 57 9.606 -4.917 2.225 470 2HB TYR 57 HB1 TYR 57 7.864 -4.846 1.988 471 HD1 TYR 57 HD1 TYR 57 11.139 -4.303 0.367 472 HD2 TYR 57 HD2 TYR 57 6.924 -4.525 -0.182 473 HE1 TYR 57 HE1 TYR 57 11.471 -4.352 -2.072 474 HE2 TYR 57 HE2 TYR 57 7.241 -4.583 -2.617 475 HH TYR 57 HH TYR 57 8.884 -3.926 -4.272 476 H THR 58 HN THR 58 6.677 -3.830 3.429 477 HA THR 58 HA THR 58 7.089 -2.808 6.082 478 HB THR 58 HB THR 58 5.104 -4.950 5.483 479 HG1 THR 58 HG1 THR 58 4.646 -3.746 3.723 480 1HG2 THR 58 HG21 THR 58 3.689 -3.567 6.942 481 2HG2 THR 58 HG22 THR 58 4.976 -2.366 7.050 482 3HG2 THR 58 HG23 THR 58 5.213 -3.977 7.727 483 H GLU 59 HN GLU 59 8.006 -3.848 7.831 484 HA GLU 59 HA GLU 59 9.541 -6.172 7.292 485 1HB GLU 59 HB2 GLU 59 10.274 -6.119 9.536 486 2HB GLU 59 HB1 GLU 59 10.074 -4.443 9.053 487 1HG GLU 59 HG2 GLU 59 8.257 -4.122 10.412 488 2HG GLU 59 HG1 GLU 59 7.845 -5.838 10.448 489 H SER 60 HN SER 60 6.395 -5.670 8.752 490 HA SER 60 HA SER 60 6.050 -8.394 9.533 491 1HB SER 60 HB2 SER 60 3.594 -7.678 9.639 492 2HB SER 60 HB1 SER 60 4.713 -6.801 10.684 493 HG SER 60 HG SER 60 3.163 -5.538 9.352 494 H GLU 61 HN GLU 61 5.754 -6.576 6.621 495 HA GLU 61 HA GLU 61 4.156 -8.547 5.229 496 1HB GLU 61 HB2 GLU 61 4.099 -6.164 4.642 497 2HB GLU 61 HB1 GLU 61 5.806 -6.215 4.244 498 1HG GLU 61 HG2 GLU 61 5.384 -7.637 2.369 499 2HG GLU 61 HG1 GLU 61 3.680 -7.782 2.818 500 H LEU 62 HN LEU 62 7.536 -7.601 5.446 501 HA LEU 62 HA LEU 62 8.523 -9.630 3.689 502 1HB LEU 62 HB2 LEU 62 9.915 -7.935 5.764 503 2HB LEU 62 HB1 LEU 62 10.734 -8.971 4.612 504 HG LEU 62 HG LEU 62 8.978 -6.652 3.811 505 1HD1 LEU 62 HD11 LEU 62 11.066 -5.448 3.378 506 2HD1 LEU 62 HD12 LEU 62 11.979 -6.782 4.084 507 3HD1 LEU 62 HD13 LEU 62 10.879 -5.836 5.087 508 1HD2 LEU 62 HD21 LEU 62 10.982 -8.311 2.285 509 2HD2 LEU 62 HD22 LEU 62 10.104 -6.918 1.653 510 3HD2 LEU 62 HD23 LEU 62 9.229 -8.379 2.111 511 H LYS 63 HN LYS 63 7.356 -9.663 6.839 512 HA LYS 63 HA LYS 63 9.004 -11.641 8.012 513 1HB LYS 63 HB2 LYS 63 7.105 -10.086 9.018 514 2HB LYS 63 HB1 LYS 63 6.089 -11.475 8.664 515 1HG LYS 63 HG2 LYS 63 6.755 -11.700 10.909 516 2HG LYS 63 HG1 LYS 63 7.721 -12.860 9.996 517 1HD LYS 63 HD2 LYS 63 9.112 -11.709 11.618 518 2HD LYS 63 HD1 LYS 63 9.595 -11.259 9.981 519 1HE LYS 63 HE2 LYS 63 8.405 -9.162 10.162 520 2HE LYS 63 HE1 LYS 63 7.761 -9.627 11.737 521 1HZ LYS 63 HZ1 LYS 63 10.648 -9.238 11.130 522 2HZ LYS 63 HZ2 LYS 63 9.978 -9.587 12.646 523 3HZ LYS 63 HZ3 LYS 63 9.656 -8.095 11.903 524 H GLY 64 HN GLY 64 6.577 -11.711 5.599 525 1HA GLY 64 HA2 GLY 64 6.735 -14.657 5.562 526 2HA GLY 64 HA1 GLY 64 5.279 -13.781 5.109 527 H MET 65 HN MET 65 4.977 -13.395 3.043 528 HA MET 65 HA MET 65 5.291 -13.269 0.799 529 1HB MET 65 HB2 MET 65 7.954 -12.250 1.748 530 2HB MET 65 HB1 MET 65 7.634 -12.471 0.036 531 1HG MET 65 HG2 MET 65 5.716 -10.933 0.232 532 2HG MET 65 HG1 MET 65 6.144 -10.664 1.923 533 1HE MET 65 HE1 MET 65 6.113 -8.015 1.184 534 2HE MET 65 HE2 MET 65 5.867 -8.449 -0.507 535 3HE MET 65 HE3 MET 65 7.181 -7.362 -0.059 536 H ASN 66 HN ASN 66 7.049 -13.955 -0.987 537 HA ASN 66 HA ASN 66 7.684 -16.752 -0.434 538 1HB ASN 66 HB2 ASN 66 6.412 -16.245 -2.487 539 2HB ASN 66 HB1 ASN 66 7.715 -15.198 -3.038 540 1HD2 ASN 66 HD21 ASN 66 8.052 -16.372 -4.894 541 2HD2 ASN 66 HD22 ASN 66 8.760 -17.951 -4.891 542 H LYS 67 HN LYS 67 9.779 -17.593 -0.860 543 HA LYS 67 HA LYS 67 11.907 -16.129 0.148 544 1HB LYS 67 HB2 LYS 67 12.011 -18.487 -1.744 545 2HB LYS 67 HB1 LYS 67 13.353 -17.907 -0.769 546 1HG LYS 67 HG2 LYS 67 12.125 -18.450 1.265 547 2HG LYS 67 HG1 LYS 67 10.760 -19.006 0.298 548 1HD LYS 67 HD2 LYS 67 13.540 -20.181 0.218 549 2HD LYS 67 HD1 LYS 67 12.176 -20.860 1.109 550 1HE LYS 67 HE2 LYS 67 10.946 -21.141 -0.986 551 2HE LYS 67 HE1 LYS 67 12.301 -20.449 -1.877 552 1HZ LYS 67 HZ1 LYS 67 12.273 -22.887 -1.940 553 2HZ LYS 67 HZ2 LYS 67 12.428 -22.932 -0.251 554 3HZ LYS 67 HZ3 LYS 67 13.679 -22.289 -1.200 555 H ALA 68 HN ALA 68 11.062 -16.788 -3.227 556 HA ALA 68 HA ALA 68 13.288 -15.659 -4.451 557 1HB ALA 68 HB1 ALA 68 11.950 -15.579 -6.474 558 2HB ALA 68 HB2 ALA 68 10.477 -15.791 -5.527 559 3HB ALA 68 HB3 ALA 68 11.671 -17.088 -5.605 560 H GLU 69 HN GLU 69 10.431 -14.109 -3.150 561 HA GLU 69 HA GLU 69 10.645 -11.661 -4.531 562 1HB GLU 69 HB2 GLU 69 9.559 -12.009 -1.736 563 2HB GLU 69 HB1 GLU 69 9.130 -10.766 -2.904 564 1HG GLU 69 HG2 GLU 69 8.457 -13.694 -3.013 565 2HG GLU 69 HG1 GLU 69 7.349 -12.340 -2.802 566 H HIS 70 HN HIS 70 11.738 -12.596 -1.281 567 HA HIS 70 HA HIS 70 13.104 -10.285 -0.582 568 1HB HIS 70 HB2 HIS 70 13.794 -13.150 0.121 569 2HB HIS 70 HB1 HIS 70 14.414 -11.724 0.944 570 HD1 HIS 70 HD1 HIS 70 12.925 -10.632 2.679 571 HD2 HIS 70 HD2 HIS 70 11.057 -13.732 0.642 572 HE1 HIS 70 HE1 HIS 70 10.801 -11.077 3.934 573 HE2 HIS 70 HE2 HIS 70 9.777 -13.075 2.795 574 H GLU 71 HN GLU 71 14.210 -13.128 -2.369 575 HA GLU 71 HA GLU 71 16.916 -12.387 -2.544 576 1HB GLU 71 HB2 GLU 71 15.416 -14.059 -4.565 577 2HB GLU 71 HB1 GLU 71 17.137 -14.098 -4.212 578 1HG GLU 71 HG2 GLU 71 14.899 -15.011 -2.422 579 2HG GLU 71 HG1 GLU 71 16.082 -16.021 -3.247 580 H SER 72 HN SER 72 14.175 -11.835 -4.721 581 HA SER 72 HA SER 72 15.628 -10.584 -6.787 582 1HB SER 72 HB2 SER 72 12.730 -10.138 -6.024 583 2HB SER 72 HB1 SER 72 13.464 -9.807 -7.593 584 HG SER 72 HG SER 72 12.948 -12.300 -6.362 585 H ILE 73 HN ILE 73 14.011 -9.330 -3.914 586 HA ILE 73 HA ILE 73 14.165 -6.606 -4.327 587 HB ILE 73 HB ILE 73 14.485 -8.196 -1.779 588 1HG1 ILE 73 HG12 ILE 73 12.133 -6.628 -2.853 589 2HG1 ILE 73 HG11 ILE 73 12.323 -8.373 -2.994 590 1HG2 ILE 73 HG21 ILE 73 15.518 -6.029 -1.437 591 2HG2 ILE 73 HG22 ILE 73 13.998 -6.134 -0.548 592 3HG2 ILE 73 HG23 ILE 73 14.077 -5.223 -2.056 593 1HD1 ILE 73 HD11 ILE 73 12.271 -8.579 -0.567 594 2HD1 ILE 73 HD12 ILE 73 10.821 -7.779 -1.177 595 3HD1 ILE 73 HD13 ILE 73 12.100 -6.830 -0.418 596 H ILE 74 HN ILE 74 16.583 -8.557 -2.551 597 HA ILE 74 HA ILE 74 18.340 -6.296 -2.450 598 HB ILE 74 HB ILE 74 19.534 -8.895 -1.782 599 1HG1 ILE 74 HG12 ILE 74 17.191 -7.831 -0.175 600 2HG1 ILE 74 HG11 ILE 74 17.159 -9.301 -1.141 601 1HG2 ILE 74 HG21 ILE 74 20.614 -6.829 -1.234 602 2HG2 ILE 74 HG22 ILE 74 20.079 -7.580 0.272 603 3HG2 ILE 74 HG23 ILE 74 19.160 -6.231 -0.419 604 1HD1 ILE 74 HD11 ILE 74 18.866 -10.284 0.300 605 2HD1 ILE 74 HD12 ILE 74 17.443 -9.793 1.220 606 3HD1 ILE 74 HD13 ILE 74 18.904 -8.806 1.263 607 H SER 75 HN SER 75 17.823 -8.865 -4.645 608 HA SER 75 HA SER 75 20.367 -8.942 -5.878 609 1HB SER 75 HB2 SER 75 18.515 -10.610 -6.247 610 2HB SER 75 HB1 SER 75 17.684 -9.389 -7.211 611 HG SER 75 HG SER 75 19.728 -11.039 -7.895 612 H ASN 76 HN ASN 76 17.542 -6.865 -6.237 613 HA ASN 76 HA ASN 76 18.638 -5.375 -8.428 614 1HB ASN 76 HB2 ASN 76 16.320 -4.849 -6.570 615 2HB ASN 76 HB1 ASN 76 16.819 -3.694 -7.799 616 1HD2 ASN 76 HD21 ASN 76 17.602 -5.965 -9.600 617 2HD2 ASN 76 HD22 ASN 76 16.100 -6.543 -10.236 618 H LEU 77 HN LEU 77 18.644 -5.100 -4.929 619 HA LEU 77 HA LEU 77 19.850 -2.555 -4.735 620 1HB LEU 77 HB2 LEU 77 18.902 -3.747 -2.800 621 2HB LEU 77 HB1 LEU 77 20.173 -4.949 -2.916 622 HG LEU 77 HG LEU 77 21.833 -3.110 -2.485 623 1HD1 LEU 77 HD11 LEU 77 21.006 -1.044 -1.481 624 2HD1 LEU 77 HD12 LEU 77 19.348 -1.549 -1.800 625 3HD1 LEU 77 HD13 LEU 77 20.442 -1.220 -3.144 626 1HD2 LEU 77 HD21 LEU 77 19.760 -3.642 -0.364 627 2HD2 LEU 77 HD22 LEU 77 21.386 -3.024 -0.078 628 3HD2 LEU 77 HD23 LEU 77 21.161 -4.646 -0.732 629 H GLY 78 HN GLY 78 21.167 -5.760 -5.298 630 1HA GLY 78 HA2 GLY 78 23.162 -5.985 -6.641 631 2HA GLY 78 HA1 GLY 78 23.765 -4.506 -5.906 632 H ARG 79 HN ARG 79 22.267 -6.351 -3.574 633 HA ARG 79 HA ARG 79 24.869 -7.448 -2.741 634 1HB ARG 79 HB2 ARG 79 23.452 -5.666 -1.333 635 2HB ARG 79 HB1 ARG 79 22.657 -7.128 -0.770 636 1HG ARG 79 HG2 ARG 79 25.598 -6.502 -0.575 637 2HG ARG 79 HG1 ARG 79 24.431 -6.492 0.746 638 1HD ARG 79 HD2 ARG 79 24.081 -8.886 0.471 639 2HD ARG 79 HD1 ARG 79 25.193 -8.907 -0.896 640 HE ARG 79 HE ARG 79 25.877 -8.735 1.925 641 1HH1 ARG 79 HH11 ARG 79 26.980 -8.468 -1.393 642 2HH1 ARG 79 HH12 ARG 79 28.651 -8.734 -0.990 643 1HH2 ARG 79 HH21 ARG 79 28.064 -9.114 2.450 644 2HH2 ARG 79 HH22 ARG 79 29.265 -9.096 1.192 645 H ASN 80 HN ASN 80 25.033 -9.548 -2.882 646 HA ASN 80 HA ASN 80 22.923 -11.259 -3.599 647 1HB ASN 80 HB2 ASN 80 25.630 -11.938 -2.426 648 2HB ASN 80 HB1 ASN 80 24.530 -13.105 -3.147 649 1HD2 ASN 80 HD21 ASN 80 26.747 -10.510 -3.736 650 2HD2 ASN 80 HD22 ASN 80 26.862 -10.722 -5.452 651 HA PRO 81 HA PRO 81 21.156 -11.909 0.477 652 1HB PRO 81 HB2 PRO 81 19.494 -13.887 -0.917 653 2HB PRO 81 HB1 PRO 81 19.008 -12.415 -0.070 654 1HG PRO 81 HG2 PRO 81 18.873 -12.629 -2.750 655 2HG PRO 81 HG1 PRO 81 19.260 -11.096 -1.946 656 1HD PRO 81 HD2 PRO 81 21.099 -13.065 -3.261 657 2HD PRO 81 HD1 PRO 81 21.105 -11.289 -3.345 658 H SER 82 HN SER 82 22.966 -13.962 -1.445 659 HA SER 82 HA SER 82 22.687 -16.429 -0.086 660 1HB SER 82 HB2 SER 82 25.069 -15.367 -1.626 661 2HB SER 82 HB1 SER 82 24.751 -17.057 -1.232 662 HG SER 82 HG SER 82 23.079 -17.094 -2.641 663 H ASP 83 HN ASP 83 24.100 -13.489 0.825 664 HA ASP 83 HA ASP 83 26.088 -14.447 2.624 665 1HB ASP 83 HB2 ASP 83 24.815 -11.876 1.991 666 2HB ASP 83 HB1 ASP 83 25.257 -12.045 3.686 667 H PHE 84 HN PHE 84 22.649 -13.956 2.801 668 HA PHE 84 HA PHE 84 22.685 -14.246 5.714 669 1HB PHE 84 HB2 PHE 84 20.404 -13.405 3.916 670 2HB PHE 84 HB1 PHE 84 20.450 -13.309 5.677 671 HD1 PHE 84 HD1 PHE 84 22.154 -11.777 6.751 672 HD2 PHE 84 HD2 PHE 84 21.233 -11.665 2.598 673 HE1 PHE 84 HE1 PHE 84 23.147 -9.531 6.593 674 HE2 PHE 84 HE2 PHE 84 22.222 -9.422 2.435 675 HZ PHE 84 HZ PHE 84 23.184 -8.354 4.434 676 H LYS 85 HN LYS 85 22.171 -16.107 6.602 677 HA LYS 85 HA LYS 85 21.202 -18.270 4.956 678 1HB LYS 85 HB2 LYS 85 22.974 -18.653 6.599 679 2HB LYS 85 HB1 LYS 85 21.891 -18.180 7.899 680 1HG LYS 85 HG2 LYS 85 20.520 -20.103 7.553 681 2HG LYS 85 HG1 LYS 85 21.395 -20.523 6.080 682 1HD LYS 85 HD2 LYS 85 22.116 -21.941 7.906 683 2HD LYS 85 HD1 LYS 85 23.432 -20.876 7.411 684 1HE LYS 85 HE2 LYS 85 22.883 -19.375 9.292 685 2HE LYS 85 HE1 LYS 85 21.632 -20.508 9.804 686 1HZ LYS 85 HZ1 LYS 85 24.537 -21.101 9.619 687 2HZ LYS 85 HZ2 LYS 85 23.340 -22.198 10.106 688 3HZ LYS 85 HZ3 LYS 85 23.673 -20.833 11.053 689 H ASN 86 HN ASN 86 19.958 -16.303 7.611 690 HA ASN 86 HA ASN 86 17.491 -17.873 7.634 691 1HB ASN 86 HB2 ASN 86 18.551 -15.760 9.507 692 2HB ASN 86 HB1 ASN 86 16.929 -16.429 9.635 693 1HD2 ASN 86 HD21 ASN 86 19.134 -16.534 11.523 694 2HD2 ASN 86 HD22 ASN 86 19.413 -18.216 11.824 695 H ALA 87 HN ALA 87 15.417 -16.771 7.718 696 HA ALA 87 HA ALA 87 15.123 -14.831 5.661 697 1HB ALA 87 HB1 ALA 87 12.755 -14.855 6.238 698 2HB ALA 87 HB2 ALA 87 13.113 -15.731 7.726 699 3HB ALA 87 HB3 ALA 87 13.394 -16.498 6.162 700 H ASP 88 HN ASP 88 15.208 -14.693 9.169 701 HA ASP 88 HA ASP 88 14.302 -12.044 9.470 702 1HB ASP 88 HB2 ASP 88 14.477 -13.707 11.325 703 2HB ASP 88 HB1 ASP 88 16.227 -13.521 11.277 704 H GLU 89 HN GLU 89 17.504 -13.412 8.923 705 HA GLU 89 HA GLU 89 19.045 -11.094 9.213 706 1HB GLU 89 HB2 GLU 89 19.561 -13.211 7.123 707 2HB GLU 89 HB1 GLU 89 20.739 -12.202 7.949 708 1HG GLU 89 HG2 GLU 89 19.116 -14.418 9.170 709 2HG GLU 89 HG1 GLU 89 20.827 -14.477 8.758 710 H ARG 90 HN ARG 90 17.249 -12.382 6.479 711 HA ARG 90 HA ARG 90 17.958 -10.444 4.562 712 1HB ARG 90 HB2 ARG 90 15.551 -12.233 4.861 713 2HB ARG 90 HB1 ARG 90 15.744 -11.140 3.500 714 1HG ARG 90 HG2 ARG 90 17.657 -12.291 2.726 715 2HG ARG 90 HG1 ARG 90 17.778 -13.227 4.221 716 1HD ARG 90 HD2 ARG 90 15.883 -14.507 3.702 717 2HD ARG 90 HD1 ARG 90 15.350 -13.374 2.460 718 HE ARG 90 HE ARG 90 16.790 -14.348 0.952 719 1HH1 ARG 90 HH11 ARG 90 17.420 -15.627 4.169 720 2HH1 ARG 90 HH12 ARG 90 18.457 -16.887 3.594 721 1HH2 ARG 90 HH21 ARG 90 18.135 -15.988 0.205 722 2HH2 ARG 90 HH22 ARG 90 18.885 -17.086 1.332 723 H ILE 91 HN ILE 91 15.171 -10.680 6.757 724 HA ILE 91 HA ILE 91 13.880 -8.321 5.953 725 HB ILE 91 HB ILE 91 13.860 -9.561 8.712 726 1HG1 ILE 91 HG12 ILE 91 11.997 -10.079 6.381 727 2HG1 ILE 91 HG11 ILE 91 13.296 -11.159 6.882 728 1HG2 ILE 91 HG21 ILE 91 11.636 -8.520 8.900 729 2HG2 ILE 91 HG22 ILE 91 11.878 -7.750 7.331 730 3HG2 ILE 91 HG23 ILE 91 12.916 -7.323 8.692 731 1HD1 ILE 91 HD11 ILE 91 11.150 -11.919 7.710 732 2HD1 ILE 91 HD12 ILE 91 10.909 -10.383 8.540 733 3HD1 ILE 91 HD13 ILE 91 12.209 -11.463 9.042 734 H ALA 92 HN ALA 92 16.293 -8.940 8.456 735 HA ALA 92 HA ALA 92 16.411 -6.352 9.534 736 1HB ALA 92 HB1 ALA 92 18.558 -7.046 10.476 737 2HB ALA 92 HB2 ALA 92 18.566 -8.460 9.421 738 3HB ALA 92 HB3 ALA 92 17.332 -8.299 10.670 739 H TYR 93 HN TYR 93 18.009 -7.803 6.747 740 HA TYR 93 HA TYR 93 19.792 -5.574 6.406 741 1HB TYR 93 HB2 TYR 93 20.299 -7.922 5.615 742 2HB TYR 93 HB1 TYR 93 19.127 -7.659 4.325 743 HD1 TYR 93 HD2 TYR 93 22.140 -6.054 5.823 744 HD2 TYR 93 HD1 TYR 93 19.891 -6.825 2.297 745 HE1 TYR 93 HE2 TYR 93 23.880 -4.951 4.486 746 HE2 TYR 93 HE1 TYR 93 21.624 -5.719 0.944 747 HH TYR 93 HH TYR 93 23.423 -3.984 1.317 748 H ILE 94 HN ILE 94 16.770 -6.663 4.894 749 HA ILE 94 HA ILE 94 16.606 -4.567 3.019 750 HB ILE 94 HB ILE 94 14.319 -6.047 4.349 751 1HG1 ILE 94 HG12 ILE 94 15.711 -6.553 1.702 752 2HG1 ILE 94 HG11 ILE 94 15.920 -7.523 3.154 753 1HG2 ILE 94 HG21 ILE 94 13.003 -5.338 2.405 754 2HG2 ILE 94 HG22 ILE 94 14.383 -4.416 1.809 755 3HG2 ILE 94 HG23 ILE 94 13.599 -3.952 3.320 756 1HD1 ILE 94 HD11 ILE 94 13.361 -7.201 1.593 757 2HD1 ILE 94 HD12 ILE 94 13.558 -8.170 3.052 758 3HD1 ILE 94 HD13 ILE 94 14.419 -8.613 1.576 759 H LEU 95 HN LEU 95 15.384 -4.872 6.343 760 HA LEU 95 HA LEU 95 14.253 -2.310 6.586 761 1HB LEU 95 HB2 LEU 95 15.306 -4.326 8.512 762 2HB LEU 95 HB1 LEU 95 14.967 -2.710 9.097 763 HG LEU 95 HG LEU 95 12.959 -4.547 7.783 764 1HD1 LEU 95 HD11 LEU 95 13.364 -3.741 10.662 765 2HD1 LEU 95 HD12 LEU 95 13.609 -5.347 9.977 766 3HD1 LEU 95 HD13 LEU 95 11.990 -4.654 10.046 767 1HD2 LEU 95 HD21 LEU 95 11.323 -2.872 8.435 768 2HD2 LEU 95 HD22 LEU 95 12.535 -2.152 7.379 769 3HD2 LEU 95 HD23 LEU 95 12.595 -1.863 9.117 770 H LYS 96 HN LYS 96 17.555 -3.390 6.740 771 HA LYS 96 HA LYS 96 18.661 -1.266 8.197 772 1HB LYS 96 HB2 LYS 96 19.807 -3.410 7.725 773 2HB LYS 96 HB1 LYS 96 19.965 -2.938 6.041 774 1HG LYS 96 HG2 LYS 96 21.446 -1.150 6.614 775 2HG LYS 96 HG1 LYS 96 21.163 -1.408 8.336 776 1HD LYS 96 HD2 LYS 96 22.257 -3.610 6.621 777 2HD LYS 96 HD1 LYS 96 23.321 -2.356 7.254 778 1HE LYS 96 HE2 LYS 96 23.363 -4.250 8.739 779 2HE LYS 96 HE1 LYS 96 22.551 -2.910 9.540 780 1HZ LYS 96 HZ1 LYS 96 21.365 -4.945 9.943 781 2HZ LYS 96 HZ2 LYS 96 21.245 -5.269 8.286 782 3HZ LYS 96 HZ3 LYS 96 20.417 -3.950 8.954 783 H GLN 97 HN GLN 97 18.131 -1.673 4.711 784 HA GLN 97 HA GLN 97 19.221 0.932 4.115 785 1HB GLN 97 HB2 GLN 97 17.818 -1.141 2.438 786 2HB GLN 97 HB1 GLN 97 18.208 0.451 1.808 787 1HG GLN 97 HG2 GLN 97 19.914 -1.032 1.108 788 2HG GLN 97 HG1 GLN 97 20.597 0.004 2.358 789 1HE2 GLN 97 HE21 GLN 97 19.439 -3.185 1.609 790 2HE2 GLN 97 HE22 GLN 97 20.194 -3.989 2.937 791 H ILE 98 HN ILE 98 16.157 -0.349 4.995 792 HA ILE 98 HA ILE 98 14.552 1.753 3.927 793 HB ILE 98 HB ILE 98 14.013 -0.150 6.217 794 1HG1 ILE 98 HG12 ILE 98 12.991 -0.172 3.371 795 2HG1 ILE 98 HG11 ILE 98 14.314 -1.171 3.963 796 1HG2 ILE 98 HG21 ILE 98 12.114 1.702 4.782 797 2HG2 ILE 98 HG22 ILE 98 12.652 1.852 6.456 798 3HG2 ILE 98 HG23 ILE 98 11.656 0.481 5.969 799 1HD1 ILE 98 HD11 ILE 98 11.448 -1.274 4.871 800 2HD1 ILE 98 HD12 ILE 98 12.765 -2.229 5.551 801 3HD1 ILE 98 HD13 ILE 98 12.290 -2.458 3.870 802 H ASP 99 HN ASP 99 16.039 1.122 7.077 803 HA ASP 99 HA ASP 99 15.118 3.623 8.174 804 1HB ASP 99 HB2 ASP 99 15.416 1.663 9.622 805 2HB ASP 99 HB1 ASP 99 17.137 1.642 9.252 806 H ASN 100 HN ASN 100 18.245 2.294 7.118 807 HA ASN 100 HA ASN 100 19.237 5.060 6.945 808 1HB ASN 100 HB2 ASN 100 20.660 2.456 7.389 809 2HB ASN 100 HB1 ASN 100 21.516 3.808 6.651 810 1HD2 ASN 100 HD21 ASN 100 20.019 2.596 9.536 811 2HD2 ASN 100 HD22 ASN 100 20.634 3.809 10.602 812 H LYS 101 HN LYS 101 18.426 5.627 5.002 813 HA LYS 101 HA LYS 101 19.041 3.908 2.707 814 1HB LYS 101 HB2 LYS 101 17.354 5.576 1.589 815 2HB LYS 101 HB1 LYS 101 16.770 4.260 2.595 816 1HG LYS 101 HG2 LYS 101 16.700 5.882 4.505 817 2HG LYS 101 HG1 LYS 101 17.031 7.161 3.333 818 1HD LYS 101 HD2 LYS 101 14.997 6.774 2.194 819 2HD LYS 101 HD1 LYS 101 14.736 5.239 3.025 820 1HE LYS 101 HE2 LYS 101 14.692 7.977 4.290 821 2HE LYS 101 HE1 LYS 101 13.282 6.989 3.913 822 1HZ LYS 101 HZ1 LYS 101 13.773 6.708 6.207 823 2HZ LYS 101 HZ2 LYS 101 15.405 6.403 5.900 824 3HZ LYS 101 HZ3 LYS 101 14.233 5.274 5.433 825 H GLY 102 HN GLY 102 18.634 6.057 0.811 826 1HA GLY 102 HA2 GLY 102 21.327 6.797 0.475 827 2HA GLY 102 HA1 GLY 102 19.971 7.420 -0.450 828 H GLU 103 HN GLU 103 22.009 7.892 2.335 829 HA GLU 103 HA GLU 103 20.909 10.524 2.873 830 1HB GLU 103 HB2 GLU 103 21.710 9.134 4.738 831 2HB GLU 103 HB1 GLU 103 23.313 9.077 4.024 832 1HG GLU 103 HG2 GLU 103 22.139 11.730 4.668 833 2HG GLU 103 HG1 GLU 103 22.730 10.722 5.986 834 H LEU 104 HN LEU 104 23.767 9.035 1.468 835 HA LEU 104 HA LEU 104 24.712 11.637 0.545 836 1HB LEU 104 HB2 LEU 104 26.216 9.799 1.554 837 2HB LEU 104 HB1 LEU 104 26.023 8.977 0.019 838 HG LEU 104 HG LEU 104 27.133 11.775 0.229 839 1HD1 LEU 104 HD11 LEU 104 29.350 10.776 0.070 840 2HD1 LEU 104 HD12 LEU 104 28.638 9.166 0.169 841 3HD1 LEU 104 HD13 LEU 104 28.526 10.264 1.544 842 1HD2 LEU 104 HD21 LEU 104 28.071 11.265 -1.971 843 2HD2 LEU 104 HD22 LEU 104 26.314 11.120 -1.981 844 3HD2 LEU 104 HD23 LEU 104 27.318 9.671 -1.928 845 H GLU 105 HN GLU 105 23.312 12.211 -1.051 846 HA GLU 105 HA GLU 105 22.701 10.321 -3.176 847 1HB GLU 105 HB2 GLU 105 21.268 12.381 -2.016 848 2HB GLU 105 HB1 GLU 105 21.795 13.085 -3.537 849 1HG GLU 105 HG2 GLU 105 20.331 10.465 -3.283 850 2HG GLU 105 HG1 GLU 105 19.567 12.011 -3.640 851 H HIS 106 HN HIS 106 23.190 10.748 -5.372 852 HA HIS 106 HA HIS 106 25.757 12.133 -5.655 853 1HB HIS 106 HB2 HIS 106 25.387 9.703 -6.353 854 2HB HIS 106 HB1 HIS 106 24.406 10.335 -7.669 855 HD1 HIS 106 HD1 HIS 106 25.616 10.892 -9.762 856 HD2 HIS 106 HD2 HIS 106 28.164 10.654 -6.487 857 HE1 HIS 106 HE1 HIS 106 27.941 11.102 -10.698 858 HE2 HIS 106 HE2 HIS 106 29.461 10.735 -8.721 859 H HIS 107 HN HIS 107 24.004 13.991 -5.377 860 HA HIS 107 HA HIS 107 23.092 15.863 -6.230 861 1HB HIS 107 HB2 HIS 107 24.578 14.893 -8.620 862 2HB HIS 107 HB1 HIS 107 23.362 16.145 -8.855 863 HD1 HIS 107 HD1 HIS 107 26.844 15.730 -8.025 864 HD2 HIS 107 HD2 HIS 107 23.852 18.450 -7.045 865 HE1 HIS 107 HE1 HIS 107 28.033 17.773 -7.165 866 HE2 HIS 107 HE2 HIS 107 26.202 19.366 -6.480 867 H HIS 108 HN HIS 108 21.028 16.190 -6.367 868 HA HIS 108 HA HIS 108 19.283 14.071 -7.145 869 1HB HIS 108 HB2 HIS 108 18.796 16.877 -6.167 870 2HB HIS 108 HB1 HIS 108 17.481 15.807 -6.636 871 HD1 HIS 108 HD1 HIS 108 17.072 13.702 -5.138 872 HD2 HIS 108 HD2 HIS 108 19.900 16.386 -3.678 873 HE1 HIS 108 HE1 HIS 108 17.387 13.109 -2.706 874 HE2 HIS 108 HE2 HIS 108 18.951 14.876 -1.805 875 H HIS 109 HN HIS 109 18.251 13.747 -8.954 876 HA HIS 109 HA HIS 109 17.565 15.939 -10.705 877 1HB HIS 109 HB2 HIS 109 18.362 14.540 -12.726 878 2HB HIS 109 HB1 HIS 109 19.561 15.462 -11.832 879 HD1 HIS 109 HD1 HIS 109 21.548 14.212 -11.010 880 HD2 HIS 109 HD2 HIS 109 18.422 11.679 -12.075 881 HE1 HIS 109 HE1 HIS 109 22.483 11.879 -10.876 882 HE2 HIS 109 HE2 HIS 109 20.533 10.361 -11.379 883 H HIS 110 HN HIS 110 15.497 15.732 -11.029 884 HA HIS 110 HA HIS 110 13.415 14.915 -11.306 885 1HB HIS 110 HB2 HIS 110 14.349 13.485 -13.097 886 2HB HIS 110 HB1 HIS 110 14.705 12.242 -11.901 887 HD1 HIS 110 HD1 HIS 110 13.125 10.463 -12.752 888 HD2 HIS 110 HD2 HIS 110 11.244 14.116 -12.084 889 HE1 HIS 110 HE1 HIS 110 10.655 10.004 -12.927 890 HE2 HIS 110 HE2 HIS 110 9.548 12.252 -12.667 891 H HIS 111 HN HIS 111 15.488 12.692 -9.466 892 HA HIS 111 HA HIS 111 13.318 12.464 -7.509 893 1HB HIS 111 HB2 HIS 111 14.676 10.609 -6.503 894 2HB HIS 111 HB1 HIS 111 14.104 10.286 -8.131 895 HD1 HIS 111 HD1 HIS 111 17.219 10.856 -6.149 896 HD2 HIS 111 HD2 HIS 111 16.119 10.006 -10.066 897 HE1 HIS 111 HE1 HIS 111 19.340 10.169 -7.313 898 HE2 HIS 111 HE2 HIS 111 18.603 9.435 -9.608 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -4.640 0.730 1.020 2 2H MET 1 HT2 MET 1 -6.174 1.281 0.565 3 3H MET 1 HT3 MET 1 -5.678 -0.279 0.137 4 HA MET 1 HA MET 1 -5.561 -0.874 2.490 5 1HB MET 1 HB2 MET 1 -6.668 1.911 2.761 6 2HB MET 1 HB1 MET 1 -6.913 0.693 4.005 7 1HG MET 1 HG2 MET 1 -4.258 1.715 3.018 8 2HG MET 1 HG1 MET 1 -5.038 2.133 4.544 9 1HE MET 1 HE1 MET 1 -2.044 1.051 4.375 10 2HE MET 1 HE2 MET 1 -2.037 -0.094 5.716 11 3HE MET 1 HE3 MET 1 -2.850 1.460 5.889 12 H PHE 2 HN PHE 2 -7.810 -1.046 3.842 13 HA PHE 2 HA PHE 2 -9.544 -2.328 1.928 14 1HB PHE 2 HB2 PHE 2 -9.762 -2.139 4.940 15 2HB PHE 2 HB1 PHE 2 -10.714 -3.196 3.900 16 HD1 PHE 2 HD2 PHE 2 -9.333 -4.824 2.392 17 HD2 PHE 2 HD1 PHE 2 -7.845 -2.960 5.919 18 HE1 PHE 2 HE2 PHE 2 -7.611 -6.569 2.584 19 HE2 PHE 2 HE1 PHE 2 -6.118 -4.703 6.113 20 HZ PHE 2 HZ PHE 2 -6.001 -6.510 4.446 21 H THR 3 HN THR 3 -11.665 -1.823 1.486 22 HA THR 3 HA THR 3 -12.699 0.671 2.642 23 HB THR 3 HB THR 3 -13.674 1.163 0.334 24 HG1 THR 3 HG1 THR 3 -12.050 -1.031 -0.218 25 1HG2 THR 3 HG21 THR 3 -10.677 1.302 0.684 26 2HG2 THR 3 HG22 THR 3 -11.848 2.474 1.287 27 3HG2 THR 3 HG23 THR 3 -11.627 2.264 -0.450 28 H ALA 4 HN ALA 4 -14.807 0.646 3.177 29 HA ALA 4 HA ALA 4 -16.333 -1.777 2.490 30 1HB ALA 4 HB1 ALA 4 -15.932 -1.489 4.888 31 2HB ALA 4 HB2 ALA 4 -17.649 -1.361 4.504 32 3HB ALA 4 HB3 ALA 4 -16.707 0.095 4.829 33 H LYS 5 HN LYS 5 -17.958 -1.533 1.120 34 HA LYS 5 HA LYS 5 -19.007 1.174 0.655 35 1HB LYS 5 HB2 LYS 5 -17.881 0.065 -1.252 36 2HB LYS 5 HB1 LYS 5 -19.047 -1.245 -1.158 37 1HG LYS 5 HG2 LYS 5 -20.838 0.247 -1.771 38 2HG LYS 5 HG1 LYS 5 -19.737 1.629 -1.735 39 1HD LYS 5 HD2 LYS 5 -18.419 0.622 -3.533 40 2HD LYS 5 HD1 LYS 5 -19.521 -0.753 -3.571 41 1HE LYS 5 HE2 LYS 5 -21.337 0.662 -4.273 42 2HE LYS 5 HE1 LYS 5 -20.329 2.100 -4.098 43 1HZ LYS 5 HZ1 LYS 5 -20.493 1.399 -6.407 44 2HZ LYS 5 HZ2 LYS 5 -19.847 -0.119 -6.017 45 3HZ LYS 5 HZ3 LYS 5 -18.895 1.275 -5.853 46 H LEU 6 HN LEU 6 -20.813 1.448 1.808 47 HA LEU 6 HA LEU 6 -22.552 -0.637 2.615 48 1HB LEU 6 HB2 LEU 6 -22.255 1.606 3.733 49 2HB LEU 6 HB1 LEU 6 -23.173 2.317 2.427 50 HG LEU 6 HG LEU 6 -24.399 1.893 4.618 51 1HD1 LEU 6 HD11 LEU 6 -25.566 2.405 2.545 52 2HD1 LEU 6 HD12 LEU 6 -26.465 1.239 3.518 53 3HD1 LEU 6 HD13 LEU 6 -25.553 0.695 2.109 54 1HD2 LEU 6 HD21 LEU 6 -24.299 -0.951 3.626 55 2HD2 LEU 6 HD22 LEU 6 -25.305 -0.360 4.948 56 3HD2 LEU 6 HD23 LEU 6 -23.546 -0.331 5.095 57 H ILE 7 HN ILE 7 -24.027 -1.683 1.455 58 HA ILE 7 HA ILE 7 -24.939 -0.434 -1.058 59 HB ILE 7 HB ILE 7 -25.267 -2.672 -1.962 60 1HG1 ILE 7 HG12 ILE 7 -24.013 -3.751 0.565 61 2HG1 ILE 7 HG11 ILE 7 -25.751 -3.734 0.288 62 1HG2 ILE 7 HG21 ILE 7 -22.928 -3.345 -2.142 63 2HG2 ILE 7 HG22 ILE 7 -22.528 -2.316 -0.768 64 3HG2 ILE 7 HG23 ILE 7 -23.108 -1.595 -2.270 65 1HD1 ILE 7 HD11 ILE 7 -25.461 -5.171 -1.653 66 2HD1 ILE 7 HD12 ILE 7 -24.780 -5.908 -0.201 67 3HD1 ILE 7 HD13 ILE 7 -23.717 -5.173 -1.399 68 H LYS 8 HN LYS 8 -25.903 -1.822 1.941 69 HA LYS 8 HA LYS 8 -28.684 -2.027 1.044 70 1HB LYS 8 HB2 LYS 8 -27.748 -4.022 2.124 71 2HB LYS 8 HB1 LYS 8 -27.379 -3.078 3.561 72 1HG LYS 8 HG2 LYS 8 -29.726 -2.687 3.955 73 2HG LYS 8 HG1 LYS 8 -30.141 -3.522 2.458 74 1HD LYS 8 HD2 LYS 8 -29.131 -5.586 3.376 75 2HD LYS 8 HD1 LYS 8 -28.845 -4.734 4.897 76 1HE LYS 8 HE2 LYS 8 -30.894 -6.087 4.969 77 2HE LYS 8 HE1 LYS 8 -31.225 -4.366 5.172 78 1HZ LYS 8 HZ1 LYS 8 -31.798 -4.279 2.787 79 2HZ LYS 8 HZ2 LYS 8 -32.815 -5.306 3.670 80 3HZ LYS 8 HZ3 LYS 8 -31.595 -5.962 2.691 81 H GLY 9 HN GLY 9 -29.663 -0.116 1.227 82 1HA GLY 9 HA2 GLY 9 -30.939 1.164 2.900 83 2HA GLY 9 HA1 GLY 9 -29.458 1.251 3.840 84 H LYS 10 HN LYS 10 -28.744 3.249 3.849 85 HA LYS 10 HA LYS 10 -28.266 4.726 1.436 86 1HB LYS 10 HB2 LYS 10 -30.297 5.678 3.470 87 2HB LYS 10 HB1 LYS 10 -29.510 6.756 2.326 88 1HG LYS 10 HG2 LYS 10 -30.485 5.558 0.469 89 2HG LYS 10 HG1 LYS 10 -31.201 4.381 1.571 90 1HD LYS 10 HD2 LYS 10 -32.551 6.161 2.582 91 2HD LYS 10 HD1 LYS 10 -31.838 7.329 1.464 92 1HE LYS 10 HE2 LYS 10 -32.751 6.059 -0.426 93 2HE LYS 10 HE1 LYS 10 -33.479 4.914 0.701 94 1HZ LYS 10 HZ1 LYS 10 -34.777 6.773 1.623 95 2HZ LYS 10 HZ2 LYS 10 -35.111 6.496 -0.014 96 3HZ LYS 10 HZ3 LYS 10 -34.133 7.799 0.440 97 H THR 11 HN THR 11 -28.549 4.885 4.967 98 HA THR 11 HA THR 11 -25.704 5.609 5.062 99 HB THR 11 HB THR 11 -26.219 7.010 7.098 100 HG1 THR 11 HG1 THR 11 -28.248 6.489 7.689 101 1HG2 THR 11 HG21 THR 11 -26.932 8.987 5.842 102 2HG2 THR 11 HG22 THR 11 -27.429 7.960 4.498 103 3HG2 THR 11 HG23 THR 11 -25.726 8.065 4.946 104 H TYR 12 HN TYR 12 -24.613 4.831 6.951 105 HA TYR 12 HA TYR 12 -26.049 3.401 8.981 106 1HB TYR 12 HB2 TYR 12 -25.911 1.770 7.026 107 2HB TYR 12 HB1 TYR 12 -24.169 1.757 7.279 108 HD1 TYR 12 HD1 TYR 12 -27.419 0.959 8.859 109 HD2 TYR 12 HD2 TYR 12 -23.201 0.436 8.990 110 HE1 TYR 12 HE1 TYR 12 -27.694 -0.791 10.563 111 HE2 TYR 12 HE2 TYR 12 -23.465 -1.316 10.694 112 HH TYR 12 HH TYR 12 -25.141 -1.967 12.419 113 H ASN 13 HN ASN 13 -25.009 3.984 10.757 114 HA ASN 13 HA ASN 13 -22.200 4.751 10.613 115 1HB ASN 13 HB2 ASN 13 -23.926 6.179 11.769 116 2HB ASN 13 HB1 ASN 13 -24.072 4.917 12.985 117 1HD2 ASN 13 HD21 ASN 13 -23.245 7.688 13.263 118 2HD2 ASN 13 HD22 ASN 13 -21.668 7.646 13.976 119 H VAL 14 HN VAL 14 -20.746 3.207 10.867 120 HA VAL 14 HA VAL 14 -21.272 1.017 12.766 121 HB VAL 14 HB VAL 14 -19.117 1.209 10.652 122 1HG1 VAL 14 HG11 VAL 14 -19.979 -1.114 12.368 123 2HG1 VAL 14 HG12 VAL 14 -18.480 -0.200 12.531 124 3HG1 VAL 14 HG13 VAL 14 -18.769 -1.169 11.086 125 1HG2 VAL 14 HG21 VAL 14 -20.431 -0.456 9.421 126 2HG2 VAL 14 HG22 VAL 14 -21.305 1.063 9.623 127 3HG2 VAL 14 HG23 VAL 14 -21.708 -0.326 10.632 128 H MET 15 HN MET 15 -20.556 1.505 14.724 129 HA MET 15 HA MET 15 -19.245 2.110 16.458 130 1HB MET 15 HB2 MET 15 -17.172 1.687 14.338 131 2HB MET 15 HB1 MET 15 -16.703 2.405 15.872 132 1HG MET 15 HG2 MET 15 -16.308 0.024 15.889 133 2HG MET 15 HG1 MET 15 -17.557 0.451 17.055 134 1HE MET 15 HE1 MET 15 -18.208 -2.120 17.232 135 2HE MET 15 HE2 MET 15 -16.967 -2.522 16.044 136 3HE MET 15 HE3 MET 15 -18.612 -3.123 15.839 137 H GLY 16 HN GLY 16 -17.538 3.878 13.885 138 1HA GLY 16 HA2 GLY 16 -18.613 6.380 14.963 139 2HA GLY 16 HA1 GLY 16 -16.868 6.171 14.953 140 H ILE 17 HN ILE 17 -18.214 4.570 12.343 141 HA ILE 17 HA ILE 17 -17.627 6.870 10.592 142 HB ILE 17 HB ILE 17 -17.229 3.937 9.934 143 1HG1 ILE 17 HG12 ILE 17 -14.777 4.763 9.712 144 2HG1 ILE 17 HG11 ILE 17 -15.297 6.109 10.718 145 1HG2 ILE 17 HG21 ILE 17 -17.879 5.226 7.989 146 2HG2 ILE 17 HG22 ILE 17 -16.180 4.770 7.873 147 3HG2 ILE 17 HG23 ILE 17 -16.623 6.416 8.327 148 1HD1 ILE 17 HD11 ILE 17 -15.403 3.195 11.463 149 2HD1 ILE 17 HD12 ILE 17 -15.944 4.536 12.474 150 3HD1 ILE 17 HD13 ILE 17 -14.239 4.387 12.045 151 H THR 18 HN THR 18 -19.354 7.608 9.556 152 HA THR 18 HA THR 18 -21.716 5.912 9.327 153 HB THR 18 HB THR 18 -21.450 8.832 8.584 154 HG1 THR 18 HG1 THR 18 -21.296 7.762 10.985 155 1HG2 THR 18 HG21 THR 18 -23.384 7.688 7.602 156 2HG2 THR 18 HG22 THR 18 -23.896 8.838 8.839 157 3HG2 THR 18 HG23 THR 18 -23.862 7.112 9.199 158 H PHE 19 HN PHE 19 -21.657 4.610 7.623 159 HA PHE 19 HA PHE 19 -20.413 5.418 5.139 160 1HB PHE 19 HB2 PHE 19 -21.876 2.880 5.897 161 2HB PHE 19 HB1 PHE 19 -21.016 3.138 4.382 162 HD1 PHE 19 HD2 PHE 19 -18.588 3.275 4.338 163 HD2 PHE 19 HD1 PHE 19 -20.704 2.436 7.935 164 HE1 PHE 19 HE2 PHE 19 -16.506 2.482 5.377 165 HE2 PHE 19 HE1 PHE 19 -18.623 1.642 8.979 166 HZ PHE 19 HZ PHE 19 -16.523 1.664 7.698 167 H ARG 20 HN ARG 20 -21.581 5.131 3.083 168 HA ARG 20 HA ARG 20 -24.440 5.773 3.279 169 1HB ARG 20 HB2 ARG 20 -22.508 7.218 1.445 170 2HB ARG 20 HB1 ARG 20 -24.211 7.584 1.697 171 1HG ARG 20 HG2 ARG 20 -23.768 8.293 3.959 172 2HG ARG 20 HG1 ARG 20 -22.078 7.817 3.809 173 1HD ARG 20 HD2 ARG 20 -21.907 9.484 1.917 174 2HD ARG 20 HD1 ARG 20 -23.502 10.064 2.402 175 HE ARG 20 HE ARG 20 -21.507 9.956 4.511 176 1HH1 ARG 20 HH11 ARG 20 -23.067 11.940 2.066 177 2HH1 ARG 20 HH12 ARG 20 -22.630 13.435 2.843 178 1HH2 ARG 20 HH21 ARG 20 -20.951 11.915 5.512 179 2HH2 ARG 20 HH22 ARG 20 -21.435 13.420 4.793 180 H ALA 21 HN ALA 21 -25.686 4.787 1.741 181 HA ALA 21 HA ALA 21 -24.737 2.600 0.316 182 1HB ALA 21 HB1 ALA 21 -27.100 2.972 0.864 183 2HB ALA 21 HB2 ALA 21 -26.862 2.583 -0.840 184 3HB ALA 21 HB3 ALA 21 -27.168 4.249 -0.351 185 H GLY 22 HN GLY 22 -23.226 2.616 -1.198 186 1HA GLY 22 HA2 GLY 22 -22.836 2.922 -3.578 187 2HA GLY 22 HA1 GLY 22 -23.538 4.526 -3.429 188 H VAL 23 HN VAL 23 -21.812 4.348 -0.731 189 HA VAL 23 HA VAL 23 -19.411 5.466 -2.028 190 HB VAL 23 HB VAL 23 -20.461 6.056 0.747 191 1HG1 VAL 23 HG11 VAL 23 -18.818 7.892 0.712 192 2HG1 VAL 23 HG12 VAL 23 -18.217 7.303 -0.838 193 3HG1 VAL 23 HG13 VAL 23 -18.055 6.306 0.608 194 1HG2 VAL 23 HG21 VAL 23 -20.593 7.730 -1.760 195 2HG2 VAL 23 HG22 VAL 23 -21.084 8.249 -0.147 196 3HG2 VAL 23 HG23 VAL 23 -21.955 6.948 -0.958 197 H SER 24 HN SER 24 -17.555 4.439 -1.751 198 HA SER 24 HA SER 24 -17.366 2.361 0.301 199 1HB SER 24 HB2 SER 24 -15.329 1.672 -1.084 200 2HB SER 24 HB1 SER 24 -16.904 1.469 -1.853 201 HG SER 24 HG SER 24 -14.980 3.497 -2.291 202 H GLN 25 HN GLN 25 -16.593 3.214 2.149 203 HA GLN 25 HA GLN 25 -14.437 5.199 1.964 204 1HB GLN 25 HB2 GLN 25 -16.288 4.510 4.251 205 2HB GLN 25 HB1 GLN 25 -14.971 5.670 4.360 206 1HG GLN 25 HG2 GLN 25 -16.038 6.977 2.545 207 2HG GLN 25 HG1 GLN 25 -17.394 5.853 2.588 208 1HE2 GLN 25 HE21 GLN 25 -17.282 8.734 3.101 209 2HE2 GLN 25 HE22 GLN 25 -17.931 8.952 4.693 210 H THR 26 HN THR 26 -12.576 5.017 3.253 211 HA THR 26 HA THR 26 -11.564 2.349 3.395 212 HB THR 26 HB THR 26 -10.309 4.931 4.350 213 HG1 THR 26 HG1 THR 26 -10.915 4.133 1.904 214 1HG2 THR 26 HG21 THR 26 -9.050 2.274 3.647 215 2HG2 THR 26 HG22 THR 26 -9.229 2.926 5.277 216 3HG2 THR 26 HG23 THR 26 -8.185 3.740 4.112 217 H VAL 27 HN VAL 27 -11.319 1.048 5.131 218 HA VAL 27 HA VAL 27 -12.102 2.129 7.757 219 HB VAL 27 HB VAL 27 -13.270 0.059 8.280 220 1HG1 VAL 27 HG11 VAL 27 -14.203 1.275 5.690 221 2HG1 VAL 27 HG12 VAL 27 -14.558 1.869 7.313 222 3HG1 VAL 27 HG13 VAL 27 -15.189 0.309 6.787 223 1HG2 VAL 27 HG21 VAL 27 -12.677 -0.761 5.434 224 2HG2 VAL 27 HG22 VAL 27 -13.710 -1.635 6.565 225 3HG2 VAL 27 HG23 VAL 27 -11.983 -1.484 6.887 226 HA PRO 28 HA PRO 28 -8.539 0.024 9.454 227 1HB PRO 28 HB2 PRO 28 -10.263 -0.674 11.751 228 2HB PRO 28 HB1 PRO 28 -8.773 0.273 11.716 229 1HG PRO 28 HG2 PRO 28 -11.151 1.431 12.121 230 2HG PRO 28 HG1 PRO 28 -9.873 2.233 11.188 231 1HD PRO 28 HD2 PRO 28 -12.313 0.800 10.216 232 2HD PRO 28 HD1 PRO 28 -11.576 2.303 9.623 233 H LYS 29 HN LYS 29 -7.815 -2.118 9.842 234 HA LYS 29 HA LYS 29 -9.242 -4.056 8.380 235 1HB LYS 29 HB2 LYS 29 -7.427 -5.630 9.273 236 2HB LYS 29 HB1 LYS 29 -6.929 -4.281 8.268 237 1HG LYS 29 HG2 LYS 29 -5.366 -4.186 9.926 238 2HG LYS 29 HG1 LYS 29 -6.581 -3.079 10.561 239 1HD LYS 29 HD2 LYS 29 -7.490 -4.894 11.944 240 2HD LYS 29 HD1 LYS 29 -6.243 -5.979 11.323 241 1HE LYS 29 HE2 LYS 29 -5.822 -3.478 12.954 242 2HE LYS 29 HE1 LYS 29 -5.586 -5.140 13.490 243 1HZ LYS 29 HZ1 LYS 29 -3.833 -5.349 11.782 244 2HZ LYS 29 HZ2 LYS 29 -3.477 -4.183 12.960 245 3HZ LYS 29 HZ3 LYS 29 -4.005 -3.701 11.422 246 H LYS 30 HN LYS 30 -9.297 -3.250 11.736 247 HA LYS 30 HA LYS 30 -10.412 -5.683 12.697 248 1HB LYS 30 HB2 LYS 30 -10.815 -2.877 13.759 249 2HB LYS 30 HB1 LYS 30 -11.200 -4.362 14.614 250 1HG LYS 30 HG2 LYS 30 -8.766 -4.954 14.477 251 2HG LYS 30 HG1 LYS 30 -8.483 -3.317 13.875 252 1HD LYS 30 HD2 LYS 30 -9.679 -4.090 16.536 253 2HD LYS 30 HD1 LYS 30 -8.094 -3.367 16.258 254 1HE LYS 30 HE2 LYS 30 -9.131 -1.336 15.441 255 2HE LYS 30 HE1 LYS 30 -10.731 -2.061 15.592 256 1HZ LYS 30 HZ1 LYS 30 -8.857 -1.380 17.792 257 2HZ LYS 30 HZ2 LYS 30 -10.288 -2.271 18.010 258 3HZ LYS 30 HZ3 LYS 30 -10.364 -0.665 17.465 259 H LEU 31 HN LEU 31 -11.832 -2.671 11.495 260 HA LEU 31 HA LEU 31 -14.528 -3.574 11.849 261 1HB LEU 31 HB2 LEU 31 -13.372 -1.227 10.346 262 2HB LEU 31 HB1 LEU 31 -15.090 -1.540 10.484 263 HG LEU 31 HG LEU 31 -13.210 -0.947 12.771 264 1HD1 LEU 31 HD11 LEU 31 -15.422 0.684 11.533 265 2HD1 LEU 31 HD12 LEU 31 -13.692 1.002 11.391 266 3HD1 LEU 31 HD13 LEU 31 -14.487 1.128 12.960 267 1HD2 LEU 31 HD21 LEU 31 -14.980 -2.497 13.427 268 2HD2 LEU 31 HD22 LEU 31 -16.192 -1.398 12.763 269 3HD2 LEU 31 HD23 LEU 31 -15.221 -0.906 14.152 270 H TYR 32 HN TYR 32 -12.145 -3.714 9.333 271 HA TYR 32 HA TYR 32 -13.748 -4.225 7.115 272 1HB TYR 32 HB2 TYR 32 -11.318 -3.887 6.969 273 2HB TYR 32 HB1 TYR 32 -11.048 -5.429 7.775 274 HD1 TYR 32 HD2 TYR 32 -12.625 -3.955 4.738 275 HD2 TYR 32 HD1 TYR 32 -10.803 -7.370 6.504 276 HE1 TYR 32 HE2 TYR 32 -12.635 -5.082 2.553 277 HE2 TYR 32 HE1 TYR 32 -10.807 -8.506 4.321 278 HH TYR 32 HH TYR 32 -12.024 -8.399 2.185 279 H GLU 33 HN GLU 33 -12.363 -6.531 9.444 280 HA GLU 33 HA GLU 33 -13.687 -8.781 8.314 281 1HB GLU 33 HB2 GLU 33 -12.299 -8.331 10.948 282 2HB GLU 33 HB1 GLU 33 -13.019 -9.874 10.509 283 1HG GLU 33 HG2 GLU 33 -11.059 -8.551 8.691 284 2HG GLU 33 HG1 GLU 33 -10.506 -9.491 10.076 285 H TYR 34 HN TYR 34 -14.484 -6.510 10.872 286 HA TYR 34 HA TYR 34 -16.683 -7.883 11.954 287 1HB TYR 34 HB2 TYR 34 -15.715 -5.961 13.090 288 2HB TYR 34 HB1 TYR 34 -16.179 -4.906 11.760 289 HD1 TYR 34 HD1 TYR 34 -17.725 -7.277 14.201 290 HD2 TYR 34 HD2 TYR 34 -18.134 -3.685 11.959 291 HE1 TYR 34 HE1 TYR 34 -19.875 -6.836 15.312 292 HE2 TYR 34 HE2 TYR 34 -20.283 -3.234 13.063 293 HH TYR 34 HH TYR 34 -22.034 -4.390 14.234 294 H LEU 35 HN LEU 35 -16.508 -5.489 9.328 295 HA LEU 35 HA LEU 35 -19.312 -5.751 8.738 296 1HB LEU 35 HB2 LEU 35 -17.100 -4.436 7.164 297 2HB LEU 35 HB1 LEU 35 -18.814 -4.299 6.813 298 HG LEU 35 HG LEU 35 -17.413 -3.280 9.285 299 1HD1 LEU 35 HD11 LEU 35 -18.036 -1.079 8.430 300 2HD1 LEU 35 HD12 LEU 35 -18.713 -1.830 6.984 301 3HD1 LEU 35 HD13 LEU 35 -16.982 -1.934 7.305 302 1HD2 LEU 35 HD21 LEU 35 -19.651 -4.080 9.821 303 2HD2 LEU 35 HD22 LEU 35 -20.322 -3.127 8.496 304 3HD2 LEU 35 HD23 LEU 35 -19.584 -2.319 9.878 305 H ASN 36 HN ASN 36 -16.423 -7.331 7.846 306 HA ASN 36 HA ASN 36 -17.190 -8.546 5.434 307 1HB ASN 36 HB2 ASN 36 -14.895 -8.554 6.228 308 2HB ASN 36 HB1 ASN 36 -15.353 -9.462 7.658 309 1HD2 ASN 36 HD21 ASN 36 -13.687 -10.905 7.087 310 2HD2 ASN 36 HD22 ASN 36 -13.952 -12.115 5.888 311 H GLU 37 HN GLU 37 -17.899 -9.264 8.793 312 HA GLU 37 HA GLU 37 -19.300 -11.718 8.162 313 1HB GLU 37 HB2 GLU 37 -19.203 -10.114 10.720 314 2HB GLU 37 HB1 GLU 37 -19.939 -11.698 10.545 315 1HG GLU 37 HG2 GLU 37 -17.698 -12.582 9.906 316 2HG GLU 37 HG1 GLU 37 -17.026 -11.003 10.320 317 H ASN 38 HN ASN 38 -20.108 -8.588 7.585 318 HA ASN 38 HA ASN 38 -22.951 -9.043 8.207 319 1HB ASN 38 HB2 ASN 38 -21.297 -6.574 8.633 320 2HB ASN 38 HB1 ASN 38 -23.034 -6.447 8.375 321 1HD2 ASN 38 HD21 ASN 38 -20.521 -7.499 10.535 322 2HD2 ASN 38 HD22 ASN 38 -21.548 -7.792 11.899 323 HA PRO 39 HA PRO 39 -23.173 -8.570 3.796 324 1HB PRO 39 HB2 PRO 39 -25.756 -9.240 3.518 325 2HB PRO 39 HB1 PRO 39 -24.519 -10.434 3.932 326 1HG PRO 39 HG2 PRO 39 -26.463 -9.023 5.721 327 2HG PRO 39 HG1 PRO 39 -26.004 -10.736 5.701 328 1HD PRO 39 HD2 PRO 39 -24.970 -8.931 7.459 329 2HD PRO 39 HD1 PRO 39 -24.085 -10.364 6.901 330 H TYR 40 HN TYR 40 -23.408 -6.122 5.383 331 HA TYR 40 HA TYR 40 -25.614 -4.727 4.038 332 1HB TYR 40 HB2 TYR 40 -23.665 -3.722 6.121 333 2HB TYR 40 HB1 TYR 40 -24.996 -2.797 5.445 334 HD1 TYR 40 HD2 TYR 40 -27.365 -3.925 5.736 335 HD2 TYR 40 HD1 TYR 40 -23.961 -4.775 8.140 336 HE1 TYR 40 HE2 TYR 40 -28.839 -4.713 7.531 337 HE2 TYR 40 HE1 TYR 40 -25.421 -5.565 9.945 338 HH TYR 40 HH TYR 40 -28.607 -6.351 9.517 339 H PHE 41 HN PHE 41 -22.312 -5.377 3.712 340 HA PHE 41 HA PHE 41 -21.886 -2.965 2.080 341 1HB PHE 41 HB2 PHE 41 -19.882 -4.247 3.952 342 2HB PHE 41 HB1 PHE 41 -19.580 -2.857 2.923 343 HD1 PHE 41 HD2 PHE 41 -21.445 -4.047 5.874 344 HD2 PHE 41 HD1 PHE 41 -20.184 -0.682 3.598 345 HE1 PHE 41 HE2 PHE 41 -22.145 -2.555 7.699 346 HE2 PHE 41 HE1 PHE 41 -20.876 0.815 5.421 347 HZ PHE 41 HZ PHE 41 -21.860 -0.121 7.475 348 H ILE 42 HN ILE 42 -20.777 -3.233 0.189 349 HA ILE 42 HA ILE 42 -19.565 -5.852 -0.344 350 HB ILE 42 HB ILE 42 -19.998 -3.446 -2.128 351 1HG1 ILE 42 HG12 ILE 42 -21.062 -6.275 -2.242 352 2HG1 ILE 42 HG11 ILE 42 -21.967 -4.855 -1.729 353 1HG2 ILE 42 HG21 ILE 42 -17.838 -4.432 -2.668 354 2HG2 ILE 42 HG22 ILE 42 -19.008 -4.751 -3.950 355 3HG2 ILE 42 HG23 ILE 42 -18.585 -6.024 -2.805 356 1HD1 ILE 42 HD11 ILE 42 -21.738 -3.913 -3.979 357 2HD1 ILE 42 HD12 ILE 42 -22.552 -5.478 -3.991 358 3HD1 ILE 42 HD13 ILE 42 -20.863 -5.360 -4.483 359 H LEU 43 HN LEU 43 -17.644 -6.017 0.642 360 HA LEU 43 HA LEU 43 -16.070 -3.627 1.100 361 1HB LEU 43 HB2 LEU 43 -15.598 -6.471 1.987 362 2HB LEU 43 HB1 LEU 43 -14.625 -5.091 2.457 363 HG LEU 43 HG LEU 43 -16.948 -4.170 3.319 364 1HD1 LEU 43 HD11 LEU 43 -18.278 -6.027 2.488 365 2HD1 LEU 43 HD12 LEU 43 -18.337 -5.945 4.249 366 3HD1 LEU 43 HD13 LEU 43 -17.327 -7.155 3.455 367 1HD2 LEU 43 HD21 LEU 43 -14.973 -4.511 4.684 368 2HD2 LEU 43 HD22 LEU 43 -15.314 -6.239 4.770 369 3HD2 LEU 43 HD23 LEU 43 -16.417 -5.085 5.520 370 H THR 44 HN THR 44 -14.276 -3.082 0.084 371 HA THR 44 HA THR 44 -13.258 -4.938 -1.967 372 HB THR 44 HB THR 44 -13.284 -1.915 -2.107 373 HG1 THR 44 HG1 THR 44 -15.259 -3.682 -2.536 374 1HG2 THR 44 HG21 THR 44 -12.696 -3.999 -4.216 375 2HG2 THR 44 HG22 THR 44 -11.496 -2.989 -3.410 376 3HG2 THR 44 HG23 THR 44 -12.709 -2.252 -4.458 377 H GLN 45 HN GLN 45 -11.188 -5.487 -1.767 378 HA GLN 45 HA GLN 45 -9.497 -4.032 0.102 379 1HB GLN 45 HB2 GLN 45 -7.863 -5.878 -0.324 380 2HB GLN 45 HB1 GLN 45 -9.397 -6.412 0.339 381 1HG GLN 45 HG2 GLN 45 -10.107 -7.087 -1.922 382 2HG GLN 45 HG1 GLN 45 -8.523 -6.611 -2.535 383 1HE2 GLN 45 HE21 GLN 45 -6.716 -7.852 -1.994 384 2HE2 GLN 45 HE22 GLN 45 -6.856 -9.458 -1.372 385 H GLU 46 HN GLU 46 -8.572 -2.278 -0.665 386 HA GLU 46 HA GLU 46 -7.884 -2.155 -3.507 387 1HB GLU 46 HB2 GLU 46 -8.425 -0.045 -1.433 388 2HB GLU 46 HB1 GLU 46 -7.694 0.338 -2.986 389 1HG GLU 46 HG2 GLU 46 -10.353 -1.031 -2.659 390 2HG GLU 46 HG1 GLU 46 -10.144 0.707 -2.890 391 H LEU 47 HN LEU 47 -5.864 -2.290 -4.112 392 HA LEU 47 HA LEU 47 -3.740 -1.914 -2.141 393 1HB LEU 47 HB2 LEU 47 -3.701 -3.060 -4.933 394 2HB LEU 47 HB1 LEU 47 -2.264 -2.829 -3.960 395 HG LEU 47 HG LEU 47 -2.800 -5.105 -3.762 396 1HD1 LEU 47 HD11 LEU 47 -3.370 -5.398 -1.406 397 2HD1 LEU 47 HD12 LEU 47 -3.910 -3.722 -1.330 398 3HD1 LEU 47 HD13 LEU 47 -2.213 -4.089 -1.644 399 1HD2 LEU 47 HD21 LEU 47 -5.647 -4.293 -3.196 400 2HD2 LEU 47 HD22 LEU 47 -5.020 -5.940 -3.116 401 3HD2 LEU 47 HD23 LEU 47 -5.045 -5.079 -4.656 402 H ASN 48 HN ASN 48 -3.021 0.065 -1.943 403 HA ASN 48 HA ASN 48 -2.408 2.196 -2.349 404 1HB ASN 48 HB2 ASN 48 -0.766 1.216 -3.888 405 2HB ASN 48 HB1 ASN 48 -1.959 1.228 -5.183 406 1HD2 ASN 48 HD21 ASN 48 -0.716 2.537 -6.488 407 2HD2 ASN 48 HD22 ASN 48 -0.478 4.219 -6.165 408 H ASN 49 HN ASN 49 -4.596 2.731 -1.881 409 HA ASN 49 HA ASN 49 -6.080 3.716 -4.228 410 1HB ASN 49 HB2 ASN 49 -8.105 3.656 -2.855 411 2HB ASN 49 HB1 ASN 49 -7.348 2.070 -2.886 412 1HD2 ASN 49 HD21 ASN 49 -9.179 3.480 -0.970 413 2HD2 ASN 49 HD22 ASN 49 -8.415 3.314 0.572 414 H GLN 50 HN GLN 50 -3.834 4.968 -2.947 415 HA GLN 50 HA GLN 50 -4.547 6.977 -1.131 416 1HB GLN 50 HB2 GLN 50 -2.236 6.335 -1.491 417 2HB GLN 50 HB1 GLN 50 -2.311 6.875 -3.162 418 1HG GLN 50 HG2 GLN 50 -2.652 9.177 -2.386 419 2HG GLN 50 HG1 GLN 50 -2.527 8.621 -0.719 420 1HE2 GLN 50 HE21 GLN 50 -0.530 8.017 0.093 421 2HE2 GLN 50 HE22 GLN 50 0.958 8.394 -0.714 422 H LYS 51 HN LYS 51 -6.168 8.313 -1.538 423 HA LYS 51 HA LYS 51 -6.245 9.712 -4.120 424 1HB LYS 51 HB2 LYS 51 -8.296 8.474 -3.506 425 2HB LYS 51 HB1 LYS 51 -8.407 9.403 -2.021 426 1HG LYS 51 HG2 LYS 51 -9.967 10.346 -3.508 427 2HG LYS 51 HG1 LYS 51 -8.606 11.466 -3.461 428 1HD LYS 51 HD2 LYS 51 -8.758 9.347 -5.576 429 2HD LYS 51 HD1 LYS 51 -9.676 10.843 -5.748 430 1HE LYS 51 HE2 LYS 51 -6.700 10.711 -5.281 431 2HE LYS 51 HE1 LYS 51 -7.450 10.871 -6.869 432 1HZ LYS 51 HZ1 LYS 51 -6.709 12.999 -5.880 433 2HZ LYS 51 HZ2 LYS 51 -7.853 12.799 -4.645 434 3HZ LYS 51 HZ3 LYS 51 -8.365 12.967 -6.254 435 H ASP 52 HN ASP 52 -5.173 11.568 -4.002 436 HA ASP 52 HA ASP 52 -4.546 12.976 -1.672 437 1HB ASP 52 HB2 ASP 52 -3.871 14.810 -3.135 438 2HB ASP 52 HB1 ASP 52 -3.344 13.273 -3.813 439 H ASP 53 HN ASP 53 -5.479 14.637 -0.597 440 HA ASP 53 HA ASP 53 -8.153 15.460 -1.497 441 1HB ASP 53 HB2 ASP 53 -8.675 15.917 0.897 442 2HB ASP 53 HB1 ASP 53 -8.365 14.221 0.562 443 HA PRO 54 HA PRO 54 -5.986 19.393 -1.874 444 1HB PRO 54 HB2 PRO 54 -8.471 20.184 -3.220 445 2HB PRO 54 HB1 PRO 54 -6.821 20.162 -3.847 446 1HG PRO 54 HG2 PRO 54 -8.676 18.407 -4.687 447 2HG PRO 54 HG1 PRO 54 -6.966 17.962 -4.531 448 1HD PRO 54 HD2 PRO 54 -9.246 17.399 -2.663 449 2HD PRO 54 HD1 PRO 54 -7.940 16.319 -3.201 450 H ILE 55 HN ILE 55 -6.211 19.730 0.373 451 HA ILE 55 HA ILE 55 -7.891 21.889 1.099 452 HB ILE 55 HB ILE 55 -9.544 19.993 1.080 453 1HG1 ILE 55 HG12 ILE 55 -10.529 20.563 3.299 454 2HG1 ILE 55 HG11 ILE 55 -9.028 21.393 3.702 455 1HG2 ILE 55 HG21 ILE 55 -8.140 18.197 1.866 456 2HG2 ILE 55 HG22 ILE 55 -9.515 18.402 2.952 457 3HG2 ILE 55 HG23 ILE 55 -7.927 19.010 3.417 458 1HD1 ILE 55 HD11 ILE 55 -10.899 22.098 1.456 459 2HD1 ILE 55 HD12 ILE 55 -9.381 22.917 1.825 460 3HD1 ILE 55 HD13 ILE 55 -10.714 22.966 2.981 461 H ASN 56 HN ASN 56 -5.162 21.097 1.093 462 HA ASN 56 HA ASN 56 -4.405 21.390 3.874 463 1HB ASN 56 HB2 ASN 56 -4.584 18.918 3.481 464 2HB ASN 56 HB1 ASN 56 -3.391 19.071 2.200 465 1HD2 ASN 56 HD21 ASN 56 -3.263 17.462 4.556 466 2HD2 ASN 56 HD22 ASN 56 -1.874 17.984 5.450 467 H TYR 57 HN TYR 57 -3.413 23.311 3.424 468 HA TYR 57 HA TYR 57 -1.076 23.234 1.678 469 1HB TYR 57 HB2 TYR 57 -3.281 25.293 1.425 470 2HB TYR 57 HB1 TYR 57 -1.716 25.402 0.630 471 HD1 TYR 57 HD1 TYR 57 -1.173 23.928 -1.252 472 HD2 TYR 57 HD2 TYR 57 -4.989 23.782 0.624 473 HE1 TYR 57 HE1 TYR 57 -2.063 22.670 -3.167 474 HE2 TYR 57 HE2 TYR 57 -5.889 22.516 -1.284 475 HH TYR 57 HH TYR 57 -5.308 22.266 -3.759 476 H THR 58 HN THR 58 0.291 25.177 1.955 477 HA THR 58 HA THR 58 0.694 25.888 4.656 478 HB THR 58 HB THR 58 1.723 27.365 2.239 479 HG1 THR 58 HG1 THR 58 2.935 25.667 1.854 480 1HG2 THR 58 HG21 THR 58 2.863 27.014 5.021 481 2HG2 THR 58 HG22 THR 58 2.107 28.481 4.399 482 3HG2 THR 58 HG23 THR 58 3.617 27.901 3.696 483 H GLU 59 HN GLU 59 -0.163 27.443 5.898 484 HA GLU 59 HA GLU 59 -2.365 28.938 4.986 485 1HB GLU 59 HB2 GLU 59 -2.042 30.281 7.116 486 2HB GLU 59 HB1 GLU 59 -2.329 28.564 7.297 487 1HG GLU 59 HG2 GLU 59 0.460 29.637 7.288 488 2HG GLU 59 HG1 GLU 59 -0.531 29.714 8.743 489 H SER 60 HN SER 60 1.034 29.780 5.390 490 HA SER 60 HA SER 60 0.865 32.461 4.624 491 1HB SER 60 HB2 SER 60 3.155 30.628 3.924 492 2HB SER 60 HB1 SER 60 3.214 32.350 4.306 493 HG SER 60 HG SER 60 3.877 30.875 6.026 494 H GLU 61 HN GLU 61 0.837 29.463 2.787 495 HA GLU 61 HA GLU 61 1.157 30.801 0.241 496 1HB GLU 61 HB2 GLU 61 1.876 28.463 0.596 497 2HB GLU 61 HB1 GLU 61 0.203 27.997 0.864 498 1HG GLU 61 HG2 GLU 61 -0.368 28.534 -1.403 499 2HG GLU 61 HG1 GLU 61 1.243 29.192 -1.693 500 H LEU 62 HN LEU 62 -1.457 29.653 2.250 501 HA LEU 62 HA LEU 62 -3.521 30.168 0.331 502 1HB LEU 62 HB2 LEU 62 -3.637 29.641 3.301 503 2HB LEU 62 HB1 LEU 62 -5.043 29.759 2.258 504 HG LEU 62 HG LEU 62 -2.864 27.680 1.999 505 1HD1 LEU 62 HD11 LEU 62 -4.555 26.111 2.809 506 2HD1 LEU 62 HD12 LEU 62 -5.672 27.453 3.071 507 3HD1 LEU 62 HD13 LEU 62 -4.186 27.348 4.013 508 1HD2 LEU 62 HD21 LEU 62 -5.503 27.977 0.569 509 2HD2 LEU 62 HD22 LEU 62 -4.385 26.624 0.404 510 3HD2 LEU 62 HD23 LEU 62 -3.905 28.234 -0.133 511 H LYS 63 HN LYS 63 -1.748 32.077 2.540 512 HA LYS 63 HA LYS 63 -3.603 34.172 2.923 513 1HB LYS 63 HB2 LYS 63 -0.592 34.060 2.968 514 2HB LYS 63 HB1 LYS 63 -1.460 35.571 3.222 515 1HG LYS 63 HG2 LYS 63 -1.738 33.075 4.885 516 2HG LYS 63 HG1 LYS 63 -0.813 34.509 5.324 517 1HD LYS 63 HD2 LYS 63 -2.852 35.839 5.357 518 2HD LYS 63 HD1 LYS 63 -3.793 34.436 4.839 519 1HE LYS 63 HE2 LYS 63 -3.230 33.266 6.887 520 2HE LYS 63 HE1 LYS 63 -2.192 34.599 7.391 521 1HZ LYS 63 HZ1 LYS 63 -4.154 36.032 7.473 522 2HZ LYS 63 HZ2 LYS 63 -4.311 34.702 8.509 523 3HZ LYS 63 HZ3 LYS 63 -5.145 34.725 7.039 524 H GLY 64 HN GLY 64 -1.493 33.269 0.308 525 1HA GLY 64 HA2 GLY 64 -2.446 35.537 -1.296 526 2HA GLY 64 HA1 GLY 64 -1.199 34.383 -1.772 527 H MET 65 HN MET 65 -2.251 33.908 -3.756 528 HA MET 65 HA MET 65 -3.454 32.482 -5.071 529 1HB MET 65 HB2 MET 65 -3.005 30.726 -3.504 530 2HB MET 65 HB1 MET 65 -4.211 31.334 -2.383 531 1HG MET 65 HG2 MET 65 -5.957 30.771 -4.032 532 2HG MET 65 HG1 MET 65 -4.709 30.062 -5.055 533 1HE MET 65 HE1 MET 65 -2.772 28.706 -2.967 534 2HE MET 65 HE2 MET 65 -3.324 27.899 -4.435 535 3HE MET 65 HE3 MET 65 -3.441 27.076 -2.878 536 H ASN 66 HN ASN 66 -5.388 32.687 -6.174 537 HA ASN 66 HA ASN 66 -7.044 34.826 -5.217 538 1HB ASN 66 HB2 ASN 66 -8.258 34.675 -7.319 539 2HB ASN 66 HB1 ASN 66 -6.525 34.660 -7.612 540 1HD2 ASN 66 HD21 ASN 66 -5.701 33.075 -8.803 541 2HD2 ASN 66 HD22 ASN 66 -6.556 31.659 -9.306 542 H LYS 67 HN LYS 67 -9.430 34.700 -5.313 543 HA LYS 67 HA LYS 67 -10.321 33.031 -3.277 544 1HB LYS 67 HB2 LYS 67 -12.599 33.822 -3.918 545 2HB LYS 67 HB1 LYS 67 -11.422 35.112 -3.724 546 1HG LYS 67 HG2 LYS 67 -11.155 35.244 -6.145 547 2HG LYS 67 HG1 LYS 67 -12.324 33.938 -6.346 548 1HD LYS 67 HD2 LYS 67 -12.906 36.597 -5.046 549 2HD LYS 67 HD1 LYS 67 -13.305 36.177 -6.712 550 1HE LYS 67 HE2 LYS 67 -14.701 34.324 -5.876 551 2HE LYS 67 HE1 LYS 67 -14.346 34.829 -4.224 552 1HZ LYS 67 HZ1 LYS 67 -15.337 37.015 -4.796 553 2HZ LYS 67 HZ2 LYS 67 -16.444 35.731 -4.852 554 3HZ LYS 67 HZ3 LYS 67 -15.817 36.374 -6.289 555 H ALA 68 HN ALA 68 -10.619 32.634 -6.775 556 HA ALA 68 HA ALA 68 -12.562 30.599 -6.736 557 1HB ALA 68 HB1 ALA 68 -10.485 31.149 -8.851 558 2HB ALA 68 HB2 ALA 68 -12.055 31.943 -8.722 559 3HB ALA 68 HB3 ALA 68 -11.966 30.213 -9.056 560 H GLU 69 HN GLU 69 -9.029 30.490 -6.680 561 HA GLU 69 HA GLU 69 -8.723 27.729 -7.016 562 1HB GLU 69 HB2 GLU 69 -6.999 29.628 -5.417 563 2HB GLU 69 HB1 GLU 69 -6.530 28.009 -5.919 564 1HG GLU 69 HG2 GLU 69 -6.726 28.684 -8.259 565 2HG GLU 69 HG1 GLU 69 -7.177 30.308 -7.748 566 H HIS 70 HN HIS 70 -8.722 29.567 -3.945 567 HA HIS 70 HA HIS 70 -8.808 27.503 -2.151 568 1HB HIS 70 HB2 HIS 70 -10.249 30.159 -2.002 569 2HB HIS 70 HB1 HIS 70 -10.061 29.059 -0.643 570 HD1 HIS 70 HD1 HIS 70 -7.833 29.091 0.584 571 HD2 HIS 70 HD2 HIS 70 -7.870 31.492 -2.803 572 HE1 HIS 70 HE1 HIS 70 -5.766 30.505 0.739 573 HE2 HIS 70 HE2 HIS 70 -5.875 32.045 -1.248 574 H GLU 71 HN GLU 71 -11.508 28.928 -3.955 575 HA GLU 71 HA GLU 71 -13.503 27.492 -2.549 576 1HB GLU 71 HB2 GLU 71 -13.508 29.036 -5.122 577 2HB GLU 71 HB1 GLU 71 -14.934 28.152 -4.583 578 1HG GLU 71 HG2 GLU 71 -14.997 29.421 -2.538 579 2HG GLU 71 HG1 GLU 71 -13.502 30.247 -2.969 580 H SER 72 HN SER 72 -11.857 26.891 -5.645 581 HA SER 72 HA SER 72 -13.260 24.516 -6.270 582 1HB SER 72 HB2 SER 72 -11.795 25.738 -7.879 583 2HB SER 72 HB1 SER 72 -10.387 25.198 -6.963 584 HG SER 72 HG SER 72 -10.946 23.876 -8.829 585 H ILE 73 HN ILE 73 -10.334 25.149 -4.412 586 HA ILE 73 HA ILE 73 -9.527 22.591 -3.764 587 HB ILE 73 HB ILE 73 -9.444 25.142 -2.158 588 1HG1 ILE 73 HG12 ILE 73 -7.270 23.618 -3.607 589 2HG1 ILE 73 HG11 ILE 73 -8.124 25.012 -4.260 590 1HG2 ILE 73 HG21 ILE 73 -9.395 23.300 -0.575 591 2HG2 ILE 73 HG22 ILE 73 -7.817 24.081 -0.676 592 3HG2 ILE 73 HG23 ILE 73 -8.089 22.536 -1.483 593 1HD1 ILE 73 HD11 ILE 73 -5.964 25.659 -3.397 594 2HD1 ILE 73 HD12 ILE 73 -6.368 24.984 -1.818 595 3HD1 ILE 73 HD13 ILE 73 -7.249 26.385 -2.431 596 H ILE 74 HN ILE 74 -11.743 24.637 -1.823 597 HA ILE 74 HA ILE 74 -12.190 22.523 0.036 598 HB ILE 74 HB ILE 74 -13.995 24.914 -0.186 599 1HG1 ILE 74 HG12 ILE 74 -11.278 24.828 1.157 600 2HG1 ILE 74 HG11 ILE 74 -11.635 25.700 -0.328 601 1HG2 ILE 74 HG21 ILE 74 -12.955 23.254 2.109 602 2HG2 ILE 74 HG22 ILE 74 -14.577 23.184 1.415 603 3HG2 ILE 74 HG23 ILE 74 -14.044 24.635 2.263 604 1HD1 ILE 74 HD11 ILE 74 -13.210 27.114 0.880 605 2HD1 ILE 74 HD12 ILE 74 -11.596 27.189 1.586 606 3HD1 ILE 74 HD13 ILE 74 -12.857 26.235 2.367 607 H SER 75 HN SER 75 -13.766 23.514 -2.904 608 HA SER 75 HA SER 75 -16.179 22.037 -2.430 609 1HB SER 75 HB2 SER 75 -14.984 23.014 -5.038 610 2HB SER 75 HB1 SER 75 -16.622 22.392 -4.832 611 HG SER 75 HG SER 75 -15.507 24.824 -4.017 612 H ASN 76 HN ASN 76 -13.048 21.399 -3.851 613 HA ASN 76 HA ASN 76 -13.620 18.863 -4.975 614 1HB ASN 76 HB2 ASN 76 -11.502 20.478 -5.138 615 2HB ASN 76 HB1 ASN 76 -10.916 19.440 -3.842 616 1HD2 ASN 76 HD21 ASN 76 -11.770 19.674 -7.179 617 2HD2 ASN 76 HD22 ASN 76 -11.119 18.139 -7.664 618 H LEU 77 HN LEU 77 -12.762 19.997 -1.805 619 HA LEU 77 HA LEU 77 -12.310 17.577 -0.467 620 1HB LEU 77 HB2 LEU 77 -11.811 19.688 0.580 621 2HB LEU 77 HB1 LEU 77 -13.481 20.201 0.451 622 HG LEU 77 HG LEU 77 -14.068 18.327 2.040 623 1HD1 LEU 77 HD11 LEU 77 -12.055 16.985 1.751 624 2HD1 LEU 77 HD12 LEU 77 -12.276 17.447 3.438 625 3HD1 LEU 77 HD13 LEU 77 -11.082 18.283 2.444 626 1HD2 LEU 77 HD21 LEU 77 -13.366 19.598 4.006 627 2HD2 LEU 77 HD22 LEU 77 -13.959 20.656 2.727 628 3HD2 LEU 77 HD23 LEU 77 -12.226 20.506 3.012 629 H GLY 78 HN GLY 78 -15.235 19.083 -1.586 630 1HA GLY 78 HA2 GLY 78 -17.194 17.605 -1.815 631 2HA GLY 78 HA1 GLY 78 -16.825 17.011 -0.200 632 H ARG 79 HN ARG 79 -16.083 20.103 0.067 633 HA ARG 79 HA ARG 79 -18.666 20.791 1.226 634 1HB ARG 79 HB2 ARG 79 -15.886 21.888 1.450 635 2HB ARG 79 HB1 ARG 79 -17.256 22.869 1.946 636 1HG ARG 79 HG2 ARG 79 -16.796 20.101 3.010 637 2HG ARG 79 HG1 ARG 79 -16.078 21.536 3.748 638 1HD ARG 79 HD2 ARG 79 -18.331 22.497 3.999 639 2HD ARG 79 HD1 ARG 79 -19.022 21.010 3.346 640 HE ARG 79 HE ARG 79 -17.371 20.962 5.785 641 1HH1 ARG 79 HH11 ARG 79 -20.411 20.315 4.150 642 2HH1 ARG 79 HH12 ARG 79 -21.107 19.499 5.514 643 1HH2 ARG 79 HH21 ARG 79 -18.296 19.873 7.572 644 2HH2 ARG 79 HH22 ARG 79 -19.916 19.239 7.440 645 H ASN 80 HN ASN 80 -18.831 23.441 1.067 646 HA ASN 80 HA ASN 80 -18.419 24.339 -1.658 647 1HB ASN 80 HB2 ASN 80 -20.618 23.152 -1.680 648 2HB ASN 80 HB1 ASN 80 -21.198 24.283 -0.461 649 1HD2 ASN 80 HD21 ASN 80 -19.094 25.032 -3.177 650 2HD2 ASN 80 HD22 ASN 80 -20.203 26.086 -3.981 651 HA PRO 81 HA PRO 81 -17.735 27.786 1.167 652 1HB PRO 81 HB2 PRO 81 -16.302 29.057 -0.997 653 2HB PRO 81 HB1 PRO 81 -15.660 28.369 0.495 654 1HG PRO 81 HG2 PRO 81 -15.217 27.308 -1.985 655 2HG PRO 81 HG1 PRO 81 -15.188 26.361 -0.489 656 1HD PRO 81 HD2 PRO 81 -17.358 26.623 -2.534 657 2HD PRO 81 HD1 PRO 81 -16.805 25.186 -1.645 658 H SER 82 HN SER 82 -20.254 27.782 0.102 659 HA SER 82 HA SER 82 -20.632 30.168 -1.490 660 1HB SER 82 HB2 SER 82 -23.085 29.636 -1.070 661 2HB SER 82 HB1 SER 82 -22.166 28.393 -1.920 662 HG SER 82 HG SER 82 -23.600 27.851 0.026 663 H ASP 83 HN ASP 83 -20.984 29.168 1.859 664 HA ASP 83 HA ASP 83 -21.996 31.799 2.613 665 1HB ASP 83 HB2 ASP 83 -23.032 29.721 3.537 666 2HB ASP 83 HB1 ASP 83 -21.518 29.374 4.360 667 H PHE 84 HN PHE 84 -19.093 30.697 1.911 668 HA PHE 84 HA PHE 84 -17.728 32.114 4.097 669 1HB PHE 84 HB2 PHE 84 -16.651 30.197 2.011 670 2HB PHE 84 HB1 PHE 84 -15.643 31.073 3.157 671 HD1 PHE 84 HD2 PHE 84 -18.175 28.433 2.787 672 HD2 PHE 84 HD1 PHE 84 -15.480 30.388 5.438 673 HE1 PHE 84 HE2 PHE 84 -18.480 26.623 4.425 674 HE2 PHE 84 HE1 PHE 84 -15.780 28.580 7.082 675 HZ PHE 84 HZ PHE 84 -17.283 26.697 6.576 676 H LYS 85 HN LYS 85 -17.438 34.207 3.658 677 HA LYS 85 HA LYS 85 -17.470 35.021 0.849 678 1HB LYS 85 HB2 LYS 85 -17.924 36.606 3.379 679 2HB LYS 85 HB1 LYS 85 -17.997 37.274 1.753 680 1HG LYS 85 HG2 LYS 85 -19.840 35.753 1.214 681 2HG LYS 85 HG1 LYS 85 -19.774 35.103 2.852 682 1HD LYS 85 HD2 LYS 85 -20.321 37.987 2.166 683 2HD LYS 85 HD1 LYS 85 -21.564 36.789 2.524 684 1HE LYS 85 HE2 LYS 85 -19.369 37.695 4.388 685 2HE LYS 85 HE1 LYS 85 -21.066 38.160 4.481 686 1HZ LYS 85 HZ1 LYS 85 -20.763 36.451 6.043 687 2HZ LYS 85 HZ2 LYS 85 -19.884 35.487 4.963 688 3HZ LYS 85 HZ3 LYS 85 -21.549 35.712 4.731 689 H ASN 86 HN ASN 86 -15.577 35.539 3.808 690 HA ASN 86 HA ASN 86 -13.719 37.276 2.435 691 1HB ASN 86 HB2 ASN 86 -13.738 36.109 5.218 692 2HB ASN 86 HB1 ASN 86 -12.454 37.154 4.618 693 1HD2 ASN 86 HD21 ASN 86 -15.790 36.956 5.568 694 2HD2 ASN 86 HD22 ASN 86 -16.055 38.667 5.697 695 H ALA 87 HN ALA 87 -11.342 36.853 2.676 696 HA ALA 87 HA ALA 87 -10.759 34.330 1.409 697 1HB ALA 87 HB1 ALA 87 -8.510 35.228 1.121 698 2HB ALA 87 HB2 ALA 87 -8.911 36.596 2.160 699 3HB ALA 87 HB3 ALA 87 -9.723 36.400 0.606 700 H ASP 88 HN ASP 88 -10.141 35.907 4.498 701 HA ASP 88 HA ASP 88 -8.318 33.929 5.431 702 1HB ASP 88 HB2 ASP 88 -8.489 36.268 6.328 703 2HB ASP 88 HB1 ASP 88 -9.987 35.791 7.125 704 H GLU 89 HN GLU 89 -11.803 34.294 5.575 705 HA GLU 89 HA GLU 89 -12.405 32.342 7.487 706 1HB GLU 89 HB2 GLU 89 -13.964 33.170 5.033 707 2HB GLU 89 HB1 GLU 89 -14.603 32.148 6.311 708 1HG GLU 89 HG2 GLU 89 -14.308 33.976 7.910 709 2HG GLU 89 HG1 GLU 89 -13.689 35.001 6.614 710 H ARG 90 HN ARG 90 -11.976 32.058 3.979 711 HA ARG 90 HA ARG 90 -12.532 29.267 3.940 712 1HB ARG 90 HB2 ARG 90 -11.719 29.353 1.604 713 2HB ARG 90 HB1 ARG 90 -12.930 30.577 1.951 714 1HG ARG 90 HG2 ARG 90 -10.976 32.168 2.311 715 2HG ARG 90 HG1 ARG 90 -9.982 30.925 1.552 716 1HD ARG 90 HD2 ARG 90 -10.641 32.503 -0.126 717 2HD ARG 90 HD1 ARG 90 -11.498 30.990 -0.411 718 HE ARG 90 HE ARG 90 -12.957 32.939 1.159 719 1HH1 ARG 90 HH11 ARG 90 -12.254 31.773 -2.069 720 2HH1 ARG 90 HH12 ARG 90 -13.743 32.353 -2.752 721 1HH2 ARG 90 HH21 ARG 90 -14.916 33.737 0.249 722 2HH2 ARG 90 HH22 ARG 90 -15.247 33.476 -1.436 723 H ILE 91 HN ILE 91 -9.648 31.189 4.397 724 HA ILE 91 HA ILE 91 -7.740 29.107 4.151 725 HB ILE 91 HB ILE 91 -7.675 31.612 5.853 726 1HG1 ILE 91 HG12 ILE 91 -6.198 31.000 3.293 727 2HG1 ILE 91 HG11 ILE 91 -7.730 31.869 3.343 728 1HG2 ILE 91 HG21 ILE 91 -5.262 31.238 6.060 729 2HG2 ILE 91 HG22 ILE 91 -5.431 29.696 5.221 730 3HG2 ILE 91 HG23 ILE 91 -6.186 29.928 6.797 731 1HD1 ILE 91 HD11 ILE 91 -6.693 33.617 4.692 732 2HD1 ILE 91 HD12 ILE 91 -5.841 33.391 3.163 733 3HD1 ILE 91 HD13 ILE 91 -5.164 32.739 4.656 734 H ALA 92 HN ALA 92 -9.598 30.369 6.878 735 HA ALA 92 HA ALA 92 -8.508 28.843 8.921 736 1HB ALA 92 HB1 ALA 92 -10.537 29.333 10.163 737 2HB ALA 92 HB2 ALA 92 -11.349 29.812 8.672 738 3HB ALA 92 HB3 ALA 92 -9.987 30.756 9.278 739 H TYR 93 HN TYR 93 -11.215 28.055 6.738 740 HA TYR 93 HA TYR 93 -11.835 25.623 8.062 741 1HB TYR 93 HB2 TYR 93 -13.399 26.843 6.504 742 2HB TYR 93 HB1 TYR 93 -12.429 26.236 5.163 743 HD1 TYR 93 HD1 TYR 93 -14.211 24.982 8.192 744 HD2 TYR 93 HD2 TYR 93 -13.068 24.237 4.167 745 HE1 TYR 93 HE1 TYR 93 -15.478 22.877 8.229 746 HE2 TYR 93 HE2 TYR 93 -14.327 22.128 4.188 747 HH TYR 93 HH TYR 93 -15.129 20.484 5.880 748 H ILE 94 HN ILE 94 -9.739 26.409 5.312 749 HA ILE 94 HA ILE 94 -9.044 23.722 4.710 750 HB ILE 94 HB ILE 94 -7.434 26.242 4.218 751 1HG1 ILE 94 HG12 ILE 94 -9.317 24.731 2.382 752 2HG1 ILE 94 HG11 ILE 94 -9.681 26.262 3.166 753 1HG2 ILE 94 HG21 ILE 94 -6.272 24.938 2.503 754 2HG2 ILE 94 HG22 ILE 94 -7.186 23.504 2.973 755 3HG2 ILE 94 HG23 ILE 94 -6.051 24.238 4.107 756 1HD1 ILE 94 HD11 ILE 94 -7.522 25.804 1.107 757 2HD1 ILE 94 HD12 ILE 94 -7.879 27.339 1.893 758 3HD1 ILE 94 HD13 ILE 94 -9.072 26.597 0.827 759 H LEU 95 HN LEU 95 -7.681 26.125 6.909 760 HA LEU 95 HA LEU 95 -5.467 24.602 7.775 761 1HB LEU 95 HB2 LEU 95 -6.996 26.914 8.864 762 2HB LEU 95 HB1 LEU 95 -5.908 26.060 9.941 763 HG LEU 95 HG LEU 95 -5.134 27.393 7.346 764 1HD1 LEU 95 HD11 LEU 95 -4.546 28.115 10.215 765 2HD1 LEU 95 HD12 LEU 95 -5.662 28.965 9.148 766 3HD1 LEU 95 HD13 LEU 95 -3.935 28.954 8.791 767 1HD2 LEU 95 HD21 LEU 95 -3.809 25.390 7.779 768 2HD2 LEU 95 HD22 LEU 95 -3.464 25.961 9.412 769 3HD2 LEU 95 HD23 LEU 95 -2.841 26.842 8.021 770 H LYS 96 HN LYS 96 -8.812 24.719 8.807 771 HA LYS 96 HA LYS 96 -8.588 23.362 11.235 772 1HB LYS 96 HB2 LYS 96 -10.587 24.617 10.422 773 2HB LYS 96 HB1 LYS 96 -10.923 23.301 9.309 774 1HG LYS 96 HG2 LYS 96 -10.677 22.715 12.221 775 2HG LYS 96 HG1 LYS 96 -12.151 23.462 11.608 776 1HD LYS 96 HD2 LYS 96 -12.670 21.615 10.270 777 2HD LYS 96 HD1 LYS 96 -11.021 20.988 10.339 778 1HE LYS 96 HE2 LYS 96 -12.894 21.154 12.697 779 2HE LYS 96 HE1 LYS 96 -12.638 19.706 11.723 780 1HZ LYS 96 HZ1 LYS 96 -10.441 21.125 13.130 781 2HZ LYS 96 HZ2 LYS 96 -10.390 19.586 12.412 782 3HZ LYS 96 HZ3 LYS 96 -11.306 19.840 13.817 783 H GLN 97 HN GLN 97 -8.633 22.183 7.959 784 HA GLN 97 HA GLN 97 -9.219 19.461 8.622 785 1HB GLN 97 HB2 GLN 97 -7.864 20.441 6.116 786 2HB GLN 97 HB1 GLN 97 -8.838 18.990 6.323 787 1HG GLN 97 HG2 GLN 97 -9.865 21.808 6.518 788 2HG GLN 97 HG1 GLN 97 -10.002 20.769 5.103 789 1HE2 GLN 97 HE21 GLN 97 -12.216 20.917 5.156 790 2HE2 GLN 97 HE22 GLN 97 -13.170 20.060 6.313 791 H ILE 98 HN ILE 98 -6.358 21.400 8.246 792 HA ILE 98 HA ILE 98 -4.479 19.277 8.224 793 HB ILE 98 HB ILE 98 -4.092 22.130 9.152 794 1HG1 ILE 98 HG12 ILE 98 -3.660 20.844 6.442 795 2HG1 ILE 98 HG11 ILE 98 -4.938 21.984 6.850 796 1HG2 ILE 98 HG21 ILE 98 -2.075 20.055 8.289 797 2HG2 ILE 98 HG22 ILE 98 -2.308 20.659 9.929 798 3HG2 ILE 98 HG23 ILE 98 -1.718 21.740 8.667 799 1HD1 ILE 98 HD11 ILE 98 -3.153 23.060 5.612 800 2HD1 ILE 98 HD12 ILE 98 -1.987 22.570 6.843 801 3HD1 ILE 98 HD13 ILE 98 -3.266 23.713 7.247 802 H ASP 99 HN ASP 99 -6.224 20.925 10.761 803 HA ASP 99 HA ASP 99 -4.668 19.988 12.953 804 1HB ASP 99 HB2 ASP 99 -7.582 20.792 12.861 805 2HB ASP 99 HB1 ASP 99 -6.669 20.495 14.335 806 H ASN 100 HN ASN 100 -6.898 18.490 10.857 807 HA ASN 100 HA ASN 100 -7.641 16.380 12.676 808 1HB ASN 100 HB2 ASN 100 -8.146 16.844 9.740 809 2HB ASN 100 HB1 ASN 100 -8.631 15.360 10.553 810 1HD2 ASN 100 HD21 ASN 100 -10.806 15.816 10.102 811 2HD2 ASN 100 HD22 ASN 100 -11.680 16.998 11.023 812 H LYS 101 HN LYS 101 -4.876 17.106 11.112 813 HA LYS 101 HA LYS 101 -4.061 14.322 10.737 814 1HB LYS 101 HB2 LYS 101 -2.665 16.941 10.153 815 2HB LYS 101 HB1 LYS 101 -1.903 15.368 9.958 816 1HG LYS 101 HG2 LYS 101 -4.387 16.266 8.513 817 2HG LYS 101 HG1 LYS 101 -2.754 16.296 7.845 818 1HD LYS 101 HD2 LYS 101 -2.592 13.873 8.112 819 2HD LYS 101 HD1 LYS 101 -4.211 13.834 8.810 820 1HE LYS 101 HE2 LYS 101 -5.153 14.647 6.725 821 2HE LYS 101 HE1 LYS 101 -3.538 14.773 6.025 822 1HZ LYS 101 HZ1 LYS 101 -3.288 12.398 6.189 823 2HZ LYS 101 HZ2 LYS 101 -4.713 12.755 5.338 824 3HZ LYS 101 HZ3 LYS 101 -4.795 12.242 6.953 825 H GLY 102 HN GLY 102 -2.579 13.338 12.067 826 1HA GLY 102 HA2 GLY 102 -2.280 14.649 14.664 827 2HA GLY 102 HA1 GLY 102 -2.123 12.927 14.349 828 H GLU 103 HN GLU 103 -0.154 12.156 14.414 829 HA GLU 103 HA GLU 103 2.082 14.048 14.182 830 1HB GLU 103 HB2 GLU 103 3.315 12.513 15.677 831 2HB GLU 103 HB1 GLU 103 1.855 13.143 16.428 832 1HG GLU 103 HG2 GLU 103 0.690 11.064 15.959 833 2HG GLU 103 HG1 GLU 103 2.120 10.432 15.146 834 H LEU 104 HN LEU 104 3.870 13.495 12.980 835 HA LEU 104 HA LEU 104 3.733 11.159 11.266 836 1HB LEU 104 HB2 LEU 104 5.794 13.344 11.620 837 2HB LEU 104 HB1 LEU 104 6.075 11.948 10.600 838 HG LEU 104 HG LEU 104 4.045 12.624 9.268 839 1HD1 LEU 104 HD11 LEU 104 2.958 14.037 10.923 840 2HD1 LEU 104 HD12 LEU 104 3.289 14.939 9.445 841 3HD1 LEU 104 HD13 LEU 104 4.311 15.167 10.863 842 1HD2 LEU 104 HD21 LEU 104 6.327 14.587 9.394 843 2HD2 LEU 104 HD22 LEU 104 5.226 14.361 8.035 844 3HD2 LEU 104 HD23 LEU 104 6.321 13.062 8.509 845 H GLU 105 HN GLU 105 4.745 9.244 11.702 846 HA GLU 105 HA GLU 105 5.293 8.740 14.413 847 1HB GLU 105 HB2 GLU 105 4.436 7.034 12.828 848 2HB GLU 105 HB1 GLU 105 6.019 6.994 12.057 849 1HG GLU 105 HG2 GLU 105 7.002 6.325 14.233 850 2HG GLU 105 HG1 GLU 105 5.372 6.231 14.893 851 H HIS 106 HN HIS 106 6.982 9.483 15.458 852 HA HIS 106 HA HIS 106 9.620 9.478 14.192 853 1HB HIS 106 HB2 HIS 106 8.365 11.026 16.255 854 2HB HIS 106 HB1 HIS 106 9.786 10.234 16.926 855 HD1 HIS 106 HD1 HIS 106 8.762 13.120 14.974 856 HD2 HIS 106 HD2 HIS 106 12.215 10.840 15.400 857 HE1 HIS 106 HE1 HIS 106 10.632 14.539 14.070 858 HE2 HIS 106 HE2 HIS 106 12.734 13.230 14.571 859 H HIS 107 HN HIS 107 7.638 7.762 16.407 860 HA HIS 107 HA HIS 107 7.854 5.792 17.526 861 1HB HIS 107 HB2 HIS 107 8.786 5.350 15.049 862 2HB HIS 107 HB1 HIS 107 10.261 5.023 15.948 863 HD1 HIS 107 HD1 HIS 107 7.445 3.344 14.621 864 HD2 HIS 107 HD2 HIS 107 9.619 3.024 18.160 865 HE1 HIS 107 HE1 HIS 107 6.953 1.045 15.521 866 HE2 HIS 107 HE2 HIS 107 8.482 0.794 17.506 867 H HIS 108 HN HIS 108 8.999 7.913 18.802 868 HA HIS 108 HA HIS 108 11.800 7.424 19.277 869 1HB HIS 108 HB2 HIS 108 11.837 9.471 20.515 870 2HB HIS 108 HB1 HIS 108 10.879 9.735 19.068 871 HD1 HIS 108 HD1 HIS 108 8.363 10.274 19.400 872 HD2 HIS 108 HD2 HIS 108 10.445 9.660 22.950 873 HE1 HIS 108 HE1 HIS 108 6.852 11.105 21.223 874 HE2 HIS 108 HE2 HIS 108 8.058 10.570 23.368 875 H HIS 109 HN HIS 109 12.605 6.197 20.754 876 HA HIS 109 HA HIS 109 11.425 6.150 23.408 877 1HB HIS 109 HB2 HIS 109 10.523 4.126 22.265 878 2HB HIS 109 HB1 HIS 109 12.171 3.596 21.952 879 HD1 HIS 109 HD1 HIS 109 12.767 1.769 23.505 880 HD2 HIS 109 HD2 HIS 109 10.369 4.638 25.335 881 HE1 HIS 109 HE1 HIS 109 12.499 1.013 25.893 882 HE2 HIS 109 HE2 HIS 109 11.156 2.834 27.010 883 H HIS 110 HN HIS 110 13.948 4.282 21.736 884 HA HIS 110 HA HIS 110 16.129 5.889 22.304 885 1HB HIS 110 HB2 HIS 110 15.564 5.406 24.706 886 2HB HIS 110 HB1 HIS 110 15.865 3.700 24.383 887 HD1 HIS 110 HD1 HIS 110 17.605 6.983 24.820 888 HD2 HIS 110 HD2 HIS 110 18.570 2.986 24.177 889 HE1 HIS 110 HE1 HIS 110 20.095 6.821 25.152 890 HE2 HIS 110 HE2 HIS 110 20.673 4.445 24.547 891 H HIS 111 HN HIS 111 17.740 5.159 21.047 892 HA HIS 111 HA HIS 111 18.112 2.275 20.833 893 1HB HIS 111 HB2 HIS 111 18.586 2.464 18.386 894 2HB HIS 111 HB1 HIS 111 16.905 2.749 18.806 895 HD1 HIS 111 HD1 HIS 111 19.942 4.441 17.448 896 HD2 HIS 111 HD2 HIS 111 15.963 5.329 18.259 897 HE1 HIS 111 HE1 HIS 111 19.484 6.618 16.280 898 HE2 HIS 111 HE2 HIS 111 17.014 6.999 16.578 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -4.943 -1.718 0.692 2 2H MET 1 HT2 MET 1 -5.210 -1.431 2.339 3 3H MET 1 HT3 MET 1 -4.239 -0.370 1.448 4 HA MET 1 HA MET 1 -6.340 0.650 1.784 5 1HB MET 1 HB2 MET 1 -5.108 0.627 -0.520 6 2HB MET 1 HB1 MET 1 -6.444 -0.387 -1.038 7 1HG MET 1 HG2 MET 1 -6.720 2.384 0.101 8 2HG MET 1 HG1 MET 1 -6.731 1.985 -1.613 9 1HE MET 1 HE1 MET 1 -8.994 3.099 -2.130 10 2HE MET 1 HE2 MET 1 -9.016 3.706 -0.474 11 3HE MET 1 HE3 MET 1 -10.441 2.908 -1.141 12 H PHE 2 HN PHE 2 -8.117 0.002 2.815 13 HA PHE 2 HA PHE 2 -9.609 -2.293 1.704 14 1HB PHE 2 HB2 PHE 2 -9.509 -1.357 4.583 15 2HB PHE 2 HB1 PHE 2 -10.450 -2.715 3.977 16 HD1 PHE 2 HD1 PHE 2 -9.244 -4.715 3.056 17 HD2 PHE 2 HD2 PHE 2 -7.246 -1.604 5.165 18 HE1 PHE 2 HE1 PHE 2 -7.335 -6.215 3.453 19 HE2 PHE 2 HE2 PHE 2 -5.334 -3.100 5.564 20 HZ PHE 2 HZ PHE 2 -5.377 -5.408 4.709 21 H THR 3 HN THR 3 -11.335 -1.574 0.639 22 HA THR 3 HA THR 3 -12.648 0.875 1.610 23 HB THR 3 HB THR 3 -13.523 -0.055 -1.004 24 HG1 THR 3 HG1 THR 3 -10.756 0.257 -0.491 25 1HG2 THR 3 HG21 THR 3 -12.999 2.257 -1.618 26 2HG2 THR 3 HG22 THR 3 -12.191 2.488 -0.069 27 3HG2 THR 3 HG23 THR 3 -13.929 2.191 -0.120 28 H ALA 4 HN ALA 4 -14.676 0.771 2.369 29 HA ALA 4 HA ALA 4 -16.274 -1.628 1.752 30 1HB ALA 4 HB1 ALA 4 -17.243 -1.497 3.994 31 2HB ALA 4 HB2 ALA 4 -16.196 -0.129 4.371 32 3HB ALA 4 HB3 ALA 4 -15.495 -1.718 4.066 33 H LYS 5 HN LYS 5 -18.356 -1.278 1.134 34 HA LYS 5 HA LYS 5 -19.443 1.435 1.373 35 1HB LYS 5 HB2 LYS 5 -18.411 1.350 -0.841 36 2HB LYS 5 HB1 LYS 5 -19.296 -0.122 -1.217 37 1HG LYS 5 HG2 LYS 5 -21.410 1.136 -1.009 38 2HG LYS 5 HG1 LYS 5 -20.478 2.604 -0.729 39 1HD LYS 5 HD2 LYS 5 -21.220 2.448 -3.053 40 2HD LYS 5 HD1 LYS 5 -19.461 2.391 -2.937 41 1HE LYS 5 HE2 LYS 5 -19.398 0.088 -3.365 42 2HE LYS 5 HE1 LYS 5 -21.123 -0.103 -3.054 43 1HZ LYS 5 HZ1 LYS 5 -19.975 1.404 -5.347 44 2HZ LYS 5 HZ2 LYS 5 -21.614 1.088 -5.065 45 3HZ LYS 5 HZ3 LYS 5 -20.559 -0.187 -5.427 46 H LEU 6 HN LEU 6 -21.578 1.508 1.769 47 HA LEU 6 HA LEU 6 -23.063 -0.818 2.358 48 1HB LEU 6 HB2 LEU 6 -23.711 2.082 2.076 49 2HB LEU 6 HB1 LEU 6 -25.029 0.930 2.119 50 HG LEU 6 HG LEU 6 -22.943 1.220 4.282 51 1HD1 LEU 6 HD11 LEU 6 -25.794 2.197 4.165 52 2HD1 LEU 6 HD12 LEU 6 -24.348 3.206 4.133 53 3HD1 LEU 6 HD13 LEU 6 -24.737 2.268 5.575 54 1HD2 LEU 6 HD21 LEU 6 -25.525 -0.340 4.158 55 2HD2 LEU 6 HD22 LEU 6 -24.489 -0.179 5.576 56 3HD2 LEU 6 HD23 LEU 6 -23.897 -1.020 4.143 57 H ILE 7 HN ILE 7 -23.860 -2.223 0.966 58 HA ILE 7 HA ILE 7 -24.619 -1.310 -1.719 59 HB ILE 7 HB ILE 7 -24.733 -3.691 -2.322 60 1HG1 ILE 7 HG12 ILE 7 -23.743 -4.202 0.491 61 2HG1 ILE 7 HG11 ILE 7 -25.359 -4.575 -0.096 62 1HG2 ILE 7 HG21 ILE 7 -22.341 -4.167 -2.208 63 2HG2 ILE 7 HG22 ILE 7 -22.154 -2.891 -1.004 64 3HG2 ILE 7 HG23 ILE 7 -22.663 -2.489 -2.644 65 1HD1 ILE 7 HD11 ILE 7 -23.969 -6.558 -0.022 66 2HD1 ILE 7 HD12 ILE 7 -22.794 -5.791 -1.092 67 3HD1 ILE 7 HD13 ILE 7 -24.413 -6.167 -1.684 68 H LYS 8 HN LYS 8 -25.913 -1.797 1.261 69 HA LYS 8 HA LYS 8 -28.625 -1.966 0.177 70 1HB LYS 8 HB2 LYS 8 -27.874 -4.238 0.999 71 2HB LYS 8 HB1 LYS 8 -27.713 -3.531 2.594 72 1HG LYS 8 HG2 LYS 8 -30.115 -2.955 2.546 73 2HG LYS 8 HG1 LYS 8 -30.247 -3.802 1.001 74 1HD LYS 8 HD2 LYS 8 -29.423 -5.858 2.104 75 2HD LYS 8 HD1 LYS 8 -29.412 -4.995 3.644 76 1HE LYS 8 HE2 LYS 8 -31.428 -6.293 3.493 77 2HE LYS 8 HE1 LYS 8 -31.842 -4.583 3.373 78 1HZ LYS 8 HZ1 LYS 8 -31.966 -4.838 0.959 79 2HZ LYS 8 HZ2 LYS 8 -33.052 -5.868 1.750 80 3HZ LYS 8 HZ3 LYS 8 -31.616 -6.492 1.104 81 H GLY 9 HN GLY 9 -29.890 -0.414 1.053 82 1HA GLY 9 HA2 GLY 9 -30.773 0.616 3.067 83 2HA GLY 9 HA1 GLY 9 -29.138 0.622 3.709 84 H LYS 10 HN LYS 10 -28.552 2.671 3.944 85 HA LYS 10 HA LYS 10 -28.356 4.434 1.721 86 1HB LYS 10 HB2 LYS 10 -29.842 6.220 2.726 87 2HB LYS 10 HB1 LYS 10 -30.679 4.849 2.014 88 1HG LYS 10 HG2 LYS 10 -30.981 3.891 4.260 89 2HG LYS 10 HG1 LYS 10 -30.192 5.311 4.949 90 1HD LYS 10 HD2 LYS 10 -32.603 5.532 5.103 91 2HD LYS 10 HD1 LYS 10 -31.952 6.735 3.989 92 1HE LYS 10 HE2 LYS 10 -32.606 5.347 2.093 93 2HE LYS 10 HE1 LYS 10 -33.221 4.113 3.194 94 1HZ LYS 10 HZ1 LYS 10 -34.879 5.640 3.983 95 2HZ LYS 10 HZ2 LYS 10 -34.974 5.561 2.290 96 3HZ LYS 10 HZ3 LYS 10 -34.246 6.897 3.037 97 H THR 11 HN THR 11 -28.584 4.322 5.271 98 HA THR 11 HA THR 11 -25.911 5.480 5.451 99 HB THR 11 HB THR 11 -26.769 6.954 7.372 100 HG1 THR 11 HG1 THR 11 -28.836 6.500 7.724 101 1HG2 THR 11 HG21 THR 11 -27.380 8.795 5.865 102 2HG2 THR 11 HG22 THR 11 -27.580 7.643 4.544 103 3HG2 THR 11 HG23 THR 11 -25.988 7.898 5.259 104 H TYR 12 HN TYR 12 -24.738 4.581 7.082 105 HA TYR 12 HA TYR 12 -26.111 3.282 9.299 106 1HB TYR 12 HB2 TYR 12 -25.843 1.572 7.458 107 2HB TYR 12 HB1 TYR 12 -24.101 1.752 7.634 108 HD1 TYR 12 HD1 TYR 12 -27.183 0.617 9.312 109 HD2 TYR 12 HD2 TYR 12 -22.933 0.704 9.433 110 HE1 TYR 12 HE1 TYR 12 -27.207 -1.065 11.103 111 HE2 TYR 12 HE2 TYR 12 -22.943 -0.980 11.224 112 HH TYR 12 HH TYR 12 -24.556 -1.744 13.016 113 H ASN 13 HN ASN 13 -25.051 3.631 11.150 114 HA ASN 13 HA ASN 13 -22.406 4.889 10.969 115 1HB ASN 13 HB2 ASN 13 -24.309 4.733 13.319 116 2HB ASN 13 HB1 ASN 13 -22.813 5.657 13.263 117 1HD2 ASN 13 HD21 ASN 13 -22.728 7.549 12.043 118 2HD2 ASN 13 HD22 ASN 13 -24.165 8.347 11.498 119 H VAL 14 HN VAL 14 -20.795 3.437 11.046 120 HA VAL 14 HA VAL 14 -20.990 1.199 12.927 121 HB VAL 14 HB VAL 14 -18.868 1.769 10.846 122 1HG1 VAL 14 HG11 VAL 14 -19.322 -0.671 12.562 123 2HG1 VAL 14 HG12 VAL 14 -17.985 0.470 12.707 124 3HG1 VAL 14 HG13 VAL 14 -18.134 -0.533 11.264 125 1HG2 VAL 14 HG21 VAL 14 -19.883 -0.105 9.622 126 2HG2 VAL 14 HG22 VAL 14 -20.996 1.249 9.815 127 3HG2 VAL 14 HG23 VAL 14 -21.164 -0.183 10.831 128 H MET 15 HN MET 15 -20.667 2.102 14.886 129 HA MET 15 HA MET 15 -19.554 2.868 16.700 130 1HB MET 15 HB2 MET 15 -17.122 2.512 14.942 131 2HB MET 15 HB1 MET 15 -17.050 2.955 16.642 132 1HG MET 15 HG2 MET 15 -18.150 0.855 17.234 133 2HG MET 15 HG1 MET 15 -18.212 0.411 15.529 134 1HE MET 15 HE1 MET 15 -17.040 -1.900 16.190 135 2HE MET 15 HE2 MET 15 -16.928 -1.398 17.877 136 3HE MET 15 HE3 MET 15 -15.499 -2.004 17.040 137 H GLY 16 HN GLY 16 -17.395 4.355 14.324 138 1HA GLY 16 HA2 GLY 16 -18.601 6.968 14.959 139 2HA GLY 16 HA1 GLY 16 -16.858 6.748 15.046 140 H ILE 17 HN ILE 17 -17.826 4.793 12.618 141 HA ILE 17 HA ILE 17 -17.199 6.842 10.610 142 HB ILE 17 HB ILE 17 -17.061 3.825 10.353 143 1HG1 ILE 17 HG12 ILE 17 -14.570 4.330 10.043 144 2HG1 ILE 17 HG11 ILE 17 -14.914 5.923 10.709 145 1HG2 ILE 17 HG21 ILE 17 -17.641 4.892 8.247 146 2HG2 ILE 17 HG22 ILE 17 -15.998 4.255 8.188 147 3HG2 ILE 17 HG23 ILE 17 -16.265 5.985 8.405 148 1HD1 ILE 17 HD11 ILE 17 -14.020 4.427 12.397 149 2HD1 ILE 17 HD12 ILE 17 -15.336 3.290 12.107 150 3HD1 ILE 17 HD13 ILE 17 -15.680 4.882 12.783 151 H THR 18 HN THR 18 -18.912 7.669 9.630 152 HA THR 18 HA THR 18 -21.406 6.197 9.499 153 HB THR 18 HB THR 18 -20.783 8.979 8.483 154 HG1 THR 18 HG1 THR 18 -21.056 9.648 10.487 155 1HG2 THR 18 HG21 THR 18 -23.412 7.631 9.134 156 2HG2 THR 18 HG22 THR 18 -22.811 7.994 7.515 157 3HG2 THR 18 HG23 THR 18 -23.210 9.307 8.622 158 H PHE 19 HN PHE 19 -21.793 4.866 7.857 159 HA PHE 19 HA PHE 19 -20.479 5.322 5.279 160 1HB PHE 19 HB2 PHE 19 -21.945 2.927 6.390 161 2HB PHE 19 HB1 PHE 19 -21.337 3.023 4.742 162 HD1 PHE 19 HD1 PHE 19 -18.948 3.002 4.295 163 HD2 PHE 19 HD2 PHE 19 -20.475 2.595 8.244 164 HE1 PHE 19 HE1 PHE 19 -16.764 2.157 5.048 165 HE2 PHE 19 HE2 PHE 19 -18.293 1.756 9.005 166 HZ PHE 19 HZ PHE 19 -16.438 1.537 7.407 167 H ARG 20 HN ARG 20 -21.640 5.323 3.347 168 HA ARG 20 HA ARG 20 -24.546 5.680 3.556 169 1HB ARG 20 HB2 ARG 20 -22.567 7.465 2.134 170 2HB ARG 20 HB1 ARG 20 -24.287 7.474 1.766 171 1HG ARG 20 HG2 ARG 20 -24.856 8.336 3.851 172 2HG ARG 20 HG1 ARG 20 -23.309 7.884 4.564 173 1HD ARG 20 HD2 ARG 20 -23.511 10.308 4.179 174 2HD ARG 20 HD1 ARG 20 -22.174 9.585 3.291 175 HE ARG 20 HE ARG 20 -23.805 9.612 1.335 176 1HH1 ARG 20 HH11 ARG 20 -24.005 11.920 3.953 177 2HH1 ARG 20 HH12 ARG 20 -24.519 13.233 2.933 178 1HH2 ARG 20 HH21 ARG 20 -24.499 11.310 -0.013 179 2HH2 ARG 20 HH22 ARG 20 -24.791 12.889 0.664 180 H ALA 21 HN ALA 21 -25.702 4.696 1.970 181 HA ALA 21 HA ALA 21 -24.531 2.733 0.356 182 1HB ALA 21 HB1 ALA 21 -27.198 4.084 -0.033 183 2HB ALA 21 HB2 ALA 21 -26.887 2.710 1.027 184 3HB ALA 21 HB3 ALA 21 -26.702 2.535 -0.718 185 H GLY 22 HN GLY 22 -23.145 3.073 -1.227 186 1HA GLY 22 HA2 GLY 22 -22.887 3.721 -3.552 187 2HA GLY 22 HA1 GLY 22 -23.735 5.211 -3.167 188 H VAL 23 HN VAL 23 -21.832 4.741 -0.575 189 HA VAL 23 HA VAL 23 -19.573 6.209 -1.775 190 HB VAL 23 HB VAL 23 -20.622 6.496 1.046 191 1HG1 VAL 23 HG11 VAL 23 -19.089 8.399 1.185 192 2HG1 VAL 23 HG12 VAL 23 -18.504 8.048 -0.442 193 3HG1 VAL 23 HG13 VAL 23 -18.222 6.897 0.865 194 1HG2 VAL 23 HG21 VAL 23 -21.388 8.715 0.340 195 2HG2 VAL 23 HG22 VAL 23 -22.193 7.427 -0.558 196 3HG2 VAL 23 HG23 VAL 23 -20.895 8.353 -1.315 197 H SER 24 HN SER 24 -17.856 4.943 -1.870 198 HA SER 24 HA SER 24 -17.398 2.826 0.055 199 1HB SER 24 HB2 SER 24 -15.658 3.800 -2.226 200 2HB SER 24 HB1 SER 24 -15.440 2.304 -1.320 201 HG SER 24 HG SER 24 -16.522 1.736 -3.142 202 H GLN 25 HN GLN 25 -16.220 3.032 1.862 203 HA GLN 25 HA GLN 25 -14.311 5.267 2.035 204 1HB GLN 25 HB2 GLN 25 -16.292 4.396 4.147 205 2HB GLN 25 HB1 GLN 25 -14.982 5.538 4.429 206 1HG GLN 25 HG2 GLN 25 -15.924 7.068 2.809 207 2HG GLN 25 HG1 GLN 25 -17.195 5.912 2.424 208 1HE2 GLN 25 HE21 GLN 25 -17.533 5.126 5.221 209 2HE2 GLN 25 HE22 GLN 25 -18.391 6.430 5.970 210 H THR 26 HN THR 26 -12.528 4.922 3.467 211 HA THR 26 HA THR 26 -11.650 2.183 3.380 212 HB THR 26 HB THR 26 -9.573 3.336 4.523 213 HG1 THR 26 HG1 THR 26 -9.819 5.418 4.766 214 1HG2 THR 26 HG21 THR 26 -10.383 3.876 1.665 215 2HG2 THR 26 HG22 THR 26 -9.593 2.416 2.259 216 3HG2 THR 26 HG23 THR 26 -8.740 3.959 2.299 217 H VAL 27 HN VAL 27 -11.264 0.822 5.055 218 HA VAL 27 HA VAL 27 -11.880 1.783 7.767 219 HB VAL 27 HB VAL 27 -13.089 -0.265 8.276 220 1HG1 VAL 27 HG11 VAL 27 -15.094 0.110 6.900 221 2HG1 VAL 27 HG12 VAL 27 -14.141 1.139 5.829 222 3HG1 VAL 27 HG13 VAL 27 -14.391 1.608 7.511 223 1HG2 VAL 27 HG21 VAL 27 -11.970 -1.797 6.751 224 2HG2 VAL 27 HG22 VAL 27 -12.692 -0.976 5.368 225 3HG2 VAL 27 HG23 VAL 27 -13.715 -1.854 6.505 226 HA PRO 28 HA PRO 28 -8.236 -0.495 8.947 227 1HB PRO 28 HB2 PRO 28 -9.389 -0.926 11.589 228 2HB PRO 28 HB1 PRO 28 -8.042 0.113 11.122 229 1HG PRO 28 HG2 PRO 28 -10.431 1.090 11.949 230 2HG PRO 28 HG1 PRO 28 -9.391 1.937 10.791 231 1HD PRO 28 HD2 PRO 28 -11.827 0.269 10.285 232 2HD PRO 28 HD1 PRO 28 -11.334 1.803 9.535 233 H LYS 29 HN LYS 29 -7.597 -2.550 10.045 234 HA LYS 29 HA LYS 29 -8.669 -4.777 8.823 235 1HB LYS 29 HB2 LYS 29 -6.434 -4.649 9.880 236 2HB LYS 29 HB1 LYS 29 -7.197 -4.694 11.463 237 1HG LYS 29 HG2 LYS 29 -8.209 -6.919 10.700 238 2HG LYS 29 HG1 LYS 29 -7.006 -6.865 9.410 239 1HD LYS 29 HD2 LYS 29 -6.476 -6.837 12.380 240 2HD LYS 29 HD1 LYS 29 -6.158 -8.164 11.264 241 1HE LYS 29 HE2 LYS 29 -4.533 -6.753 10.074 242 2HE LYS 29 HE1 LYS 29 -4.839 -5.450 11.223 243 1HZ LYS 29 HZ1 LYS 29 -4.031 -6.886 13.001 244 2HZ LYS 29 HZ2 LYS 29 -2.846 -6.684 11.806 245 3HZ LYS 29 HZ3 LYS 29 -3.733 -8.127 11.884 246 H LYS 30 HN LYS 30 -9.298 -3.607 12.118 247 HA LYS 30 HA LYS 30 -10.879 -5.767 12.960 248 1HB LYS 30 HB2 LYS 30 -10.966 -2.885 13.862 249 2HB LYS 30 HB1 LYS 30 -11.703 -4.235 14.715 250 1HG LYS 30 HG2 LYS 30 -9.522 -5.231 15.077 251 2HG LYS 30 HG1 LYS 30 -8.760 -3.927 14.162 252 1HD LYS 30 HD2 LYS 30 -9.608 -2.308 15.814 253 2HD LYS 30 HD1 LYS 30 -10.295 -3.642 16.742 254 1HE LYS 30 HE2 LYS 30 -7.370 -3.266 16.108 255 2HE LYS 30 HE1 LYS 30 -8.139 -2.901 17.651 256 1HZ LYS 30 HZ1 LYS 30 -8.803 -5.290 17.734 257 2HZ LYS 30 HZ2 LYS 30 -7.136 -5.012 17.849 258 3HZ LYS 30 HZ3 LYS 30 -7.803 -5.568 16.389 259 H LEU 31 HN LEU 31 -11.809 -2.689 11.467 260 HA LEU 31 HA LEU 31 -14.603 -3.255 11.632 261 1HB LEU 31 HB2 LEU 31 -13.088 -1.194 10.035 262 2HB LEU 31 HB1 LEU 31 -14.838 -1.290 10.104 263 HG LEU 31 HG LEU 31 -12.975 -0.688 12.400 264 1HD1 LEU 31 HD11 LEU 31 -13.318 1.179 10.880 265 2HD1 LEU 31 HD12 LEU 31 -14.129 1.468 12.419 266 3HD1 LEU 31 HD13 LEU 31 -15.066 0.977 11.007 267 1HD2 LEU 31 HD21 LEU 31 -15.978 -0.959 12.399 268 2HD2 LEU 31 HD22 LEU 31 -14.987 -0.416 13.753 269 3HD2 LEU 31 HD23 LEU 31 -14.838 -2.070 13.157 270 H TYR 32 HN TYR 32 -12.093 -3.808 9.270 271 HA TYR 32 HA TYR 32 -13.656 -4.474 7.052 272 1HB TYR 32 HB2 TYR 32 -11.193 -4.271 6.984 273 2HB TYR 32 HB1 TYR 32 -11.048 -5.735 7.948 274 HD1 TYR 32 HD1 TYR 32 -11.513 -7.928 6.959 275 HD2 TYR 32 HD2 TYR 32 -11.743 -4.375 4.630 276 HE1 TYR 32 HE1 TYR 32 -11.478 -9.279 4.908 277 HE2 TYR 32 HE2 TYR 32 -11.717 -5.717 2.570 278 HH TYR 32 HH TYR 32 -10.835 -8.055 1.911 279 H GLU 33 HN GLU 33 -12.531 -6.488 9.750 280 HA GLU 33 HA GLU 33 -13.849 -8.850 8.899 281 1HB GLU 33 HB2 GLU 33 -11.979 -8.944 10.452 282 2HB GLU 33 HB1 GLU 33 -12.880 -8.008 11.637 283 1HG GLU 33 HG2 GLU 33 -14.433 -9.798 11.965 284 2HG GLU 33 HG1 GLU 33 -13.723 -10.716 10.638 285 H TYR 34 HN TYR 34 -14.727 -6.229 11.091 286 HA TYR 34 HA TYR 34 -17.093 -7.314 12.114 287 1HB TYR 34 HB2 TYR 34 -15.960 -5.316 13.032 288 2HB TYR 34 HB1 TYR 34 -16.441 -4.401 11.608 289 HD1 TYR 34 HD1 TYR 34 -17.734 -6.158 14.600 290 HD2 TYR 34 HD2 TYR 34 -18.591 -3.417 11.461 291 HE1 TYR 34 HE1 TYR 34 -19.837 -5.543 15.718 292 HE2 TYR 34 HE2 TYR 34 -20.696 -2.796 12.569 293 HH TYR 34 HH TYR 34 -22.286 -3.790 14.195 294 H LEU 35 HN LEU 35 -16.548 -5.273 9.252 295 HA LEU 35 HA LEU 35 -19.330 -5.274 8.548 296 1HB LEU 35 HB2 LEU 35 -16.903 -4.449 6.957 297 2HB LEU 35 HB1 LEU 35 -18.566 -4.188 6.461 298 HG LEU 35 HG LEU 35 -17.224 -2.976 8.880 299 1HD1 LEU 35 HD11 LEU 35 -17.532 -0.865 7.678 300 2HD1 LEU 35 HD12 LEU 35 -18.156 -1.756 6.289 301 3HD1 LEU 35 HD13 LEU 35 -16.484 -1.980 6.801 302 1HD2 LEU 35 HD21 LEU 35 -19.298 -1.719 9.165 303 2HD2 LEU 35 HD22 LEU 35 -19.577 -3.453 9.315 304 3HD2 LEU 35 HD23 LEU 35 -20.031 -2.612 7.831 305 H ASN 36 HN ASN 36 -16.598 -7.296 7.868 306 HA ASN 36 HA ASN 36 -17.602 -8.673 5.622 307 1HB ASN 36 HB2 ASN 36 -15.272 -8.895 6.463 308 2HB ASN 36 HB1 ASN 36 -15.883 -9.767 7.864 309 1HD2 ASN 36 HD21 ASN 36 -14.971 -11.702 7.533 310 2HD2 ASN 36 HD22 ASN 36 -15.287 -12.712 6.162 311 H GLU 37 HN GLU 37 -18.268 -8.859 9.031 312 HA GLU 37 HA GLU 37 -19.837 -11.263 8.905 313 1HB GLU 37 HB2 GLU 37 -19.702 -9.104 11.022 314 2HB GLU 37 HB1 GLU 37 -20.492 -10.662 11.212 315 1HG GLU 37 HG2 GLU 37 -17.562 -10.321 10.640 316 2HG GLU 37 HG1 GLU 37 -18.244 -10.499 12.255 317 H ASN 38 HN ASN 38 -20.392 -8.189 7.779 318 HA ASN 38 HA ASN 38 -23.305 -8.430 8.151 319 1HB ASN 38 HB2 ASN 38 -21.550 -5.983 8.132 320 2HB ASN 38 HB1 ASN 38 -23.277 -5.880 7.810 321 1HD2 ASN 38 HD21 ASN 38 -20.837 -6.555 10.208 322 2HD2 ASN 38 HD22 ASN 38 -21.893 -6.496 11.576 323 HA PRO 39 HA PRO 39 -22.648 -9.182 3.775 324 1HB PRO 39 HB2 PRO 39 -25.482 -9.919 3.753 325 2HB PRO 39 HB1 PRO 39 -24.061 -10.910 3.418 326 1HG PRO 39 HG2 PRO 39 -25.536 -11.233 5.645 327 2HG PRO 39 HG1 PRO 39 -23.781 -11.493 5.626 328 1HD PRO 39 HD2 PRO 39 -25.339 -9.126 6.606 329 2HD PRO 39 HD1 PRO 39 -23.938 -9.938 7.338 330 H TYR 40 HN TYR 40 -24.132 -6.564 5.001 331 HA TYR 40 HA TYR 40 -25.354 -5.847 2.430 332 1HB TYR 40 HB2 TYR 40 -26.311 -3.873 3.728 333 2HB TYR 40 HB1 TYR 40 -26.985 -5.460 4.052 334 HD1 TYR 40 HD1 TYR 40 -24.999 -2.697 5.392 335 HD2 TYR 40 HD2 TYR 40 -26.666 -6.521 6.200 336 HE1 TYR 40 HE1 TYR 40 -24.652 -2.331 7.799 337 HE2 TYR 40 HE2 TYR 40 -26.316 -6.173 8.611 338 HH TYR 40 HH TYR 40 -24.823 -4.797 10.075 339 H PHE 41 HN PHE 41 -22.473 -5.750 3.666 340 HA PHE 41 HA PHE 41 -21.831 -3.168 2.396 341 1HB PHE 41 HB2 PHE 41 -20.474 -4.692 4.607 342 2HB PHE 41 HB1 PHE 41 -19.565 -3.562 3.614 343 HD1 PHE 41 HD1 PHE 41 -19.967 -1.189 3.748 344 HD2 PHE 41 HD2 PHE 41 -22.099 -3.926 6.207 345 HE1 PHE 41 HE1 PHE 41 -20.647 0.665 5.213 346 HE2 PHE 41 HE2 PHE 41 -22.789 -2.076 7.676 347 HZ PHE 41 HZ PHE 41 -22.060 0.224 7.181 348 H ILE 42 HN ILE 42 -20.631 -3.268 0.530 349 HA ILE 42 HA ILE 42 -19.301 -5.815 -0.062 350 HB ILE 42 HB ILE 42 -20.642 -4.494 -1.856 351 1HG1 ILE 42 HG12 ILE 42 -17.814 -5.388 -2.451 352 2HG1 ILE 42 HG11 ILE 42 -19.204 -6.457 -2.293 353 1HG2 ILE 42 HG21 ILE 42 -18.043 -2.958 -1.976 354 2HG2 ILE 42 HG22 ILE 42 -19.592 -2.303 -1.438 355 3HG2 ILE 42 HG23 ILE 42 -19.390 -2.827 -3.110 356 1HD1 ILE 42 HD11 ILE 42 -18.848 -4.325 -4.388 357 2HD1 ILE 42 HD12 ILE 42 -20.237 -5.403 -4.236 358 3HD1 ILE 42 HD13 ILE 42 -18.648 -6.062 -4.623 359 H LEU 43 HN LEU 43 -17.133 -6.043 0.072 360 HA LEU 43 HA LEU 43 -15.618 -3.631 0.781 361 1HB LEU 43 HB2 LEU 43 -15.268 -6.420 1.877 362 2HB LEU 43 HB1 LEU 43 -14.163 -5.091 2.174 363 HG LEU 43 HG LEU 43 -16.464 -3.956 2.991 364 1HD1 LEU 43 HD11 LEU 43 -16.758 -6.885 3.622 365 2HD1 LEU 43 HD12 LEU 43 -17.810 -5.929 2.580 366 3HD1 LEU 43 HD13 LEU 43 -17.729 -5.581 4.306 367 1HD2 LEU 43 HD21 LEU 43 -14.388 -4.038 4.237 368 2HD2 LEU 43 HD22 LEU 43 -14.679 -5.731 4.642 369 3HD2 LEU 43 HD23 LEU 43 -15.753 -4.478 5.264 370 H THR 44 HN THR 44 -13.663 -3.342 -0.089 371 HA THR 44 HA THR 44 -12.711 -5.363 -2.000 372 HB THR 44 HB THR 44 -12.482 -2.410 -2.548 373 HG1 THR 44 HG1 THR 44 -14.742 -3.973 -2.628 374 1HG2 THR 44 HG21 THR 44 -11.089 -3.957 -3.849 375 2HG2 THR 44 HG22 THR 44 -12.306 -3.178 -4.862 376 3HG2 THR 44 HG23 THR 44 -12.536 -4.845 -4.333 377 H GLN 45 HN GLN 45 -10.756 -6.009 -1.380 378 HA GLN 45 HA GLN 45 -9.125 -4.163 0.208 379 1HB GLN 45 HB2 GLN 45 -7.786 -6.176 0.798 380 2HB GLN 45 HB1 GLN 45 -9.464 -6.269 1.307 381 1HG GLN 45 HG2 GLN 45 -9.967 -7.720 -0.583 382 2HG GLN 45 HG1 GLN 45 -8.293 -7.606 -1.125 383 1HE2 GLN 45 HE21 GLN 45 -7.950 -9.803 -0.954 384 2HE2 GLN 45 HE22 GLN 45 -7.819 -10.606 0.578 385 H GLU 46 HN GLU 46 -7.727 -3.018 -0.851 386 HA GLU 46 HA GLU 46 -6.567 -4.064 -3.332 387 1HB GLU 46 HB2 GLU 46 -6.525 -1.241 -2.245 388 2HB GLU 46 HB1 GLU 46 -5.959 -1.754 -3.826 389 1HG GLU 46 HG2 GLU 46 -8.261 -2.408 -4.411 390 2HG GLU 46 HG1 GLU 46 -8.807 -1.816 -2.843 391 H LEU 47 HN LEU 47 -4.752 -5.144 -2.964 392 HA LEU 47 HA LEU 47 -2.883 -4.190 -0.925 393 1HB LEU 47 HB2 LEU 47 -2.920 -6.708 -2.595 394 2HB LEU 47 HB1 LEU 47 -1.604 -6.281 -1.522 395 HG LEU 47 HG LEU 47 -3.345 -6.265 0.353 396 1HD1 LEU 47 HD11 LEU 47 -5.341 -6.215 -1.052 397 2HD1 LEU 47 HD12 LEU 47 -5.327 -7.634 -0.005 398 3HD1 LEU 47 HD13 LEU 47 -4.918 -7.794 -1.713 399 1HD2 LEU 47 HD21 LEU 47 -2.695 -8.855 -1.043 400 2HD2 LEU 47 HD22 LEU 47 -3.182 -8.683 0.643 401 3HD2 LEU 47 HD23 LEU 47 -1.654 -7.998 0.092 402 H ASN 48 HN ASN 48 -1.900 -2.439 -1.753 403 HA ASN 48 HA ASN 48 -0.493 -2.762 -4.323 404 1HB ASN 48 HB2 ASN 48 -2.639 -1.196 -4.133 405 2HB ASN 48 HB1 ASN 48 -1.467 -0.068 -3.462 406 1HD2 ASN 48 HD21 ASN 48 -2.979 0.162 -5.888 407 2HD2 ASN 48 HD22 ASN 48 -1.837 0.295 -7.182 408 H ASN 49 HN ASN 49 0.160 -2.951 -1.356 409 HA ASN 49 HA ASN 49 2.616 -1.413 -1.456 410 1HB ASN 49 HB2 ASN 49 2.278 -0.344 0.709 411 2HB ASN 49 HB1 ASN 49 0.994 0.136 -0.397 412 1HD2 ASN 49 HD21 ASN 49 1.797 -1.608 2.489 413 2HD2 ASN 49 HD22 ASN 49 0.173 -1.899 3.004 414 H GLN 50 HN GLN 50 4.136 -2.076 0.199 415 HA GLN 50 HA GLN 50 3.888 -4.883 0.823 416 1HB GLN 50 HB2 GLN 50 6.029 -2.892 0.742 417 2HB GLN 50 HB1 GLN 50 6.161 -3.989 2.108 418 1HG GLN 50 HG2 GLN 50 5.862 -4.890 -0.745 419 2HG GLN 50 HG1 GLN 50 7.409 -4.690 0.074 420 1HE2 GLN 50 HE21 GLN 50 7.953 -6.840 -0.097 421 2HE2 GLN 50 HE22 GLN 50 7.178 -8.083 0.822 422 H LYS 51 HN LYS 51 3.939 -5.799 2.867 423 HA LYS 51 HA LYS 51 3.189 -4.010 5.089 424 1HB LYS 51 HB2 LYS 51 1.748 -5.725 5.959 425 2HB LYS 51 HB1 LYS 51 1.337 -5.525 4.260 426 1HG LYS 51 HG2 LYS 51 2.512 -7.515 3.667 427 2HG LYS 51 HG1 LYS 51 3.190 -7.661 5.288 428 1HD LYS 51 HD2 LYS 51 0.740 -7.802 6.066 429 2HD LYS 51 HD1 LYS 51 0.374 -8.132 4.370 430 1HE LYS 51 HE2 LYS 51 2.300 -9.694 6.091 431 2HE LYS 51 HE1 LYS 51 0.664 -10.196 5.673 432 1HZ LYS 51 HZ1 LYS 51 2.761 -9.660 3.640 433 2HZ LYS 51 HZ2 LYS 51 1.264 -10.427 3.413 434 3HZ LYS 51 HZ3 LYS 51 2.485 -11.193 4.307 435 H ASP 52 HN ASP 52 4.343 -4.245 6.965 436 HA ASP 52 HA ASP 52 5.990 -4.905 8.396 437 1HB ASP 52 HB2 ASP 52 4.309 -6.740 8.634 438 2HB ASP 52 HB1 ASP 52 5.213 -7.672 7.449 439 H ASP 53 HN ASP 53 7.799 -4.054 7.397 440 HA ASP 53 HA ASP 53 8.893 -4.841 4.981 441 1HB ASP 53 HB2 ASP 53 9.378 -2.712 6.186 442 2HB ASP 53 HB1 ASP 53 10.427 -3.615 7.276 443 HA PRO 54 HA PRO 54 10.955 -8.571 6.328 444 1HB PRO 54 HB2 PRO 54 10.910 -9.787 3.928 445 2HB PRO 54 HB1 PRO 54 9.464 -9.617 4.926 446 1HG PRO 54 HG2 PRO 54 10.178 -8.249 2.426 447 2HG PRO 54 HG1 PRO 54 8.588 -8.461 3.175 448 1HD PRO 54 HD2 PRO 54 10.338 -6.158 3.269 449 2HD PRO 54 HD1 PRO 54 8.697 -6.325 3.921 450 H ILE 55 HN ILE 55 12.987 -7.425 6.710 451 HA ILE 55 HA ILE 55 15.102 -8.632 5.320 452 HB ILE 55 HB ILE 55 14.439 -6.927 3.585 453 1HG1 ILE 55 HG12 ILE 55 16.743 -6.270 3.079 454 2HG1 ILE 55 HG11 ILE 55 17.225 -6.652 4.728 455 1HG2 ILE 55 HG21 ILE 55 15.533 -4.976 5.603 456 2HG2 ILE 55 HG22 ILE 55 13.860 -5.082 5.053 457 3HG2 ILE 55 HG23 ILE 55 15.131 -4.603 3.927 458 1HD1 ILE 55 HD11 ILE 55 16.193 -8.607 2.688 459 2HD1 ILE 55 HD12 ILE 55 16.657 -8.995 4.345 460 3HD1 ILE 55 HD13 ILE 55 17.870 -8.417 3.203 461 H ASN 56 HN ASN 56 14.055 -8.002 7.959 462 HA ASN 56 HA ASN 56 16.436 -7.228 9.293 463 1HB ASN 56 HB2 ASN 56 15.593 -5.215 10.431 464 2HB ASN 56 HB1 ASN 56 15.684 -4.975 8.694 465 1HD2 ASN 56 HD21 ASN 56 13.728 -4.917 7.491 466 2HD2 ASN 56 HD22 ASN 56 12.230 -4.537 8.257 467 H TYR 57 HN TYR 57 16.413 -8.844 10.677 468 HA TYR 57 HA TYR 57 14.123 -9.165 12.469 469 1HB TYR 57 HB2 TYR 57 15.401 -11.477 10.995 470 2HB TYR 57 HB1 TYR 57 14.117 -11.597 12.185 471 HD1 TYR 57 HD2 TYR 57 14.952 -10.632 8.737 472 HD2 TYR 57 HD1 TYR 57 11.826 -11.149 11.577 473 HE1 TYR 57 HE2 TYR 57 13.299 -10.528 6.921 474 HE2 TYR 57 HE1 TYR 57 10.164 -11.056 9.767 475 HH TYR 57 HH TYR 57 9.992 -10.128 7.462 476 H THR 58 HN THR 58 14.681 -10.403 14.410 477 HA THR 58 HA THR 58 17.242 -10.000 15.481 478 HB THR 58 HB THR 58 15.352 -12.200 16.305 479 HG1 THR 58 HG1 THR 58 15.113 -9.429 16.494 480 1HG2 THR 58 HG21 THR 58 16.281 -11.789 18.538 481 2HG2 THR 58 HG22 THR 58 17.339 -10.545 17.871 482 3HG2 THR 58 HG23 THR 58 17.545 -12.230 17.391 483 H GLU 59 HN GLU 59 19.093 -11.319 15.588 484 HA GLU 59 HA GLU 59 19.470 -13.135 13.487 485 1HB GLU 59 HB2 GLU 59 21.595 -13.678 14.451 486 2HB GLU 59 HB1 GLU 59 21.323 -11.964 14.686 487 1HG GLU 59 HG2 GLU 59 22.231 -12.616 16.695 488 2HG GLU 59 HG1 GLU 59 20.502 -12.647 17.036 489 H SER 60 HN SER 60 18.494 -13.580 16.827 490 HA SER 60 HA SER 60 18.398 -16.403 16.812 491 1HB SER 60 HB2 SER 60 16.625 -14.572 18.438 492 2HB SER 60 HB1 SER 60 17.158 -16.203 18.847 493 HG SER 60 HG SER 60 19.384 -15.044 18.579 494 H GLU 61 HN GLU 61 16.262 -13.903 15.640 495 HA GLU 61 HA GLU 61 13.969 -15.639 15.410 496 1HB GLU 61 HB2 GLU 61 13.791 -13.185 15.744 497 2HB GLU 61 HB1 GLU 61 14.498 -12.938 14.155 498 1HG GLU 61 HG2 GLU 61 12.607 -13.828 13.068 499 2HG GLU 61 HG1 GLU 61 11.956 -14.475 14.576 500 H LEU 62 HN LEU 62 16.569 -14.515 13.350 501 HA LEU 62 HA LEU 62 15.559 -15.749 10.965 502 1HB LEU 62 HB2 LEU 62 18.245 -14.594 11.691 503 2HB LEU 62 HB1 LEU 62 17.892 -15.281 10.113 504 HG LEU 62 HG LEU 62 16.353 -12.990 11.321 505 1HD1 LEU 62 HD11 LEU 62 18.656 -12.309 10.943 506 2HD1 LEU 62 HD12 LEU 62 17.573 -11.553 9.769 507 3HD1 LEU 62 HD13 LEU 62 18.577 -12.926 9.292 508 1HD2 LEU 62 HD21 LEU 62 15.535 -12.693 9.040 509 2HD2 LEU 62 HD22 LEU 62 15.124 -14.289 9.669 510 3HD2 LEU 62 HD23 LEU 62 16.455 -14.107 8.525 511 H LYS 63 HN LYS 63 17.457 -16.768 13.662 512 HA LYS 63 HA LYS 63 18.622 -19.100 12.610 513 1HB LYS 63 HB2 LYS 63 17.594 -18.462 15.380 514 2HB LYS 63 HB1 LYS 63 18.440 -19.952 14.994 515 1HG LYS 63 HG2 LYS 63 19.635 -17.241 14.512 516 2HG LYS 63 HG1 LYS 63 19.802 -18.103 16.041 517 1HD LYS 63 HD2 LYS 63 20.824 -19.992 14.829 518 2HD LYS 63 HD1 LYS 63 20.707 -19.071 13.329 519 1HE LYS 63 HE2 LYS 63 22.956 -19.000 14.416 520 2HE LYS 63 HE1 LYS 63 22.228 -17.418 14.142 521 1HZ LYS 63 HZ1 LYS 63 23.315 -17.999 16.420 522 2HZ LYS 63 HZ2 LYS 63 21.814 -18.733 16.738 523 3HZ LYS 63 HZ3 LYS 63 21.894 -17.077 16.359 524 H GLY 64 HN GLY 64 15.418 -18.426 13.905 525 1HA GLY 64 HA2 GLY 64 14.563 -21.178 13.432 526 2HA GLY 64 HA1 GLY 64 13.631 -19.921 14.234 527 H MET 65 HN MET 65 15.234 -19.978 11.075 528 HA MET 65 HA MET 65 12.629 -19.936 9.744 529 1HB MET 65 HB2 MET 65 14.800 -17.874 9.339 530 2HB MET 65 HB1 MET 65 13.501 -18.141 8.187 531 1HG MET 65 HG2 MET 65 11.868 -17.572 9.929 532 2HG MET 65 HG1 MET 65 13.195 -17.250 11.043 533 1HE MET 65 HE1 MET 65 11.832 -13.667 10.246 534 2HE MET 65 HE2 MET 65 12.217 -14.830 11.515 535 3HE MET 65 HE3 MET 65 10.886 -15.148 10.400 536 H ASN 66 HN ASN 66 12.610 -21.067 7.872 537 HA ASN 66 HA ASN 66 14.852 -22.715 7.278 538 1HB ASN 66 HB2 ASN 66 13.485 -23.606 5.440 539 2HB ASN 66 HB1 ASN 66 12.575 -23.547 6.945 540 1HD2 ASN 66 HD21 ASN 66 10.757 -22.328 7.059 541 2HD2 ASN 66 HD22 ASN 66 10.115 -21.423 5.730 542 H LYS 67 HN LYS 67 15.429 -22.951 4.823 543 HA LYS 67 HA LYS 67 17.006 -20.678 4.263 544 1HB LYS 67 HB2 LYS 67 16.432 -23.181 2.683 545 2HB LYS 67 HB1 LYS 67 17.510 -21.926 2.096 546 1HG LYS 67 HG2 LYS 67 18.835 -23.647 3.067 547 2HG LYS 67 HG1 LYS 67 18.898 -22.251 4.142 548 1HD LYS 67 HD2 LYS 67 17.294 -23.275 5.630 549 2HD LYS 67 HD1 LYS 67 17.080 -24.629 4.518 550 1HE LYS 67 HE2 LYS 67 19.688 -23.913 5.850 551 2HE LYS 67 HE1 LYS 67 18.564 -25.127 6.457 552 1HZ LYS 67 HZ1 LYS 67 19.974 -25.186 3.841 553 2HZ LYS 67 HZ2 LYS 67 18.821 -26.323 4.345 554 3HZ LYS 67 HZ3 LYS 67 20.289 -26.177 5.182 555 H ALA 68 HN ALA 68 14.030 -21.939 2.852 556 HA ALA 68 HA ALA 68 13.949 -20.287 0.585 557 1HB ALA 68 HB1 ALA 68 11.600 -20.883 0.431 558 2HB ALA 68 HB2 ALA 68 11.629 -21.486 2.088 559 3HB ALA 68 HB3 ALA 68 12.575 -22.295 0.838 560 H GLU 69 HN GLU 69 12.792 -19.752 3.890 561 HA GLU 69 HA GLU 69 11.356 -17.386 3.421 562 1HB GLU 69 HB2 GLU 69 12.985 -18.056 5.880 563 2HB GLU 69 HB1 GLU 69 11.720 -16.843 5.779 564 1HG GLU 69 HG2 GLU 69 11.436 -19.826 5.643 565 2HG GLU 69 HG1 GLU 69 10.804 -18.725 6.865 566 H HIS 70 HN HIS 70 14.741 -17.815 4.405 567 HA HIS 70 HA HIS 70 15.581 -15.190 4.398 568 1HB HIS 70 HB2 HIS 70 17.040 -17.728 3.687 569 2HB HIS 70 HB1 HIS 70 17.848 -16.167 3.730 570 HD1 HIS 70 HD1 HIS 70 18.840 -15.557 5.897 571 HD2 HIS 70 HD2 HIS 70 15.821 -18.378 6.339 572 HE1 HIS 70 HE1 HIS 70 18.889 -16.219 8.310 573 HE2 HIS 70 HE2 HIS 70 17.096 -17.974 8.559 574 H GLU 71 HN GLU 71 15.310 -17.422 1.662 575 HA GLU 71 HA GLU 71 16.604 -15.723 -0.190 576 1HB GLU 71 HB2 GLU 71 14.627 -17.947 -0.723 577 2HB GLU 71 HB1 GLU 71 15.688 -17.208 -1.917 578 1HG GLU 71 HG2 GLU 71 17.604 -17.926 -0.386 579 2HG GLU 71 HG1 GLU 71 16.413 -18.949 0.411 580 H SER 72 HN SER 72 13.157 -16.286 0.516 581 HA SER 72 HA SER 72 12.103 -14.450 -1.309 582 1HB SER 72 HB2 SER 72 11.037 -15.157 1.438 583 2HB SER 72 HB1 SER 72 10.115 -14.412 0.133 584 HG SER 72 HG SER 72 10.406 -16.962 0.583 585 H ILE 73 HN ILE 73 13.126 -14.006 2.054 586 HA ILE 73 HA ILE 73 12.390 -11.390 2.503 587 HB ILE 73 HB ILE 73 14.872 -12.825 3.463 588 1HG1 ILE 73 HG12 ILE 73 12.239 -12.331 4.866 589 2HG1 ILE 73 HG11 ILE 73 12.670 -13.838 4.065 590 1HG2 ILE 73 HG21 ILE 73 14.933 -11.170 5.276 591 2HG2 ILE 73 HG22 ILE 73 13.631 -10.278 4.489 592 3HG2 ILE 73 HG23 ILE 73 15.197 -10.438 3.693 593 1HD1 ILE 73 HD11 ILE 73 12.995 -13.985 6.470 594 2HD1 ILE 73 HD12 ILE 73 14.108 -12.618 6.412 595 3HD1 ILE 73 HD13 ILE 73 14.532 -14.133 5.616 596 H ILE 74 HN ILE 74 15.629 -12.421 1.377 597 HA ILE 74 HA ILE 74 16.411 -9.690 1.048 598 HB ILE 74 HB ILE 74 18.018 -11.912 -0.143 599 1HG1 ILE 74 HG12 ILE 74 17.865 -11.281 2.820 600 2HG1 ILE 74 HG11 ILE 74 17.235 -12.743 2.072 601 1HG2 ILE 74 HG21 ILE 74 18.636 -9.383 1.383 602 2HG2 ILE 74 HG22 ILE 74 18.788 -9.627 -0.365 603 3HG2 ILE 74 HG23 ILE 74 19.847 -10.501 0.743 604 1HD1 ILE 74 HD11 ILE 74 19.370 -13.158 3.133 605 2HD1 ILE 74 HD12 ILE 74 20.122 -11.899 2.153 606 3HD1 ILE 74 HD13 ILE 74 19.498 -13.359 1.385 607 H SER 75 HN SER 75 15.082 -12.130 -1.037 608 HA SER 75 HA SER 75 15.786 -10.922 -3.504 609 1HB SER 75 HB2 SER 75 14.966 -13.276 -3.269 610 2HB SER 75 HB1 SER 75 13.359 -12.638 -2.921 611 HG SER 75 HG SER 75 13.881 -11.451 -5.083 612 H ASN 76 HN ASN 76 13.252 -10.370 -1.157 613 HA ASN 76 HA ASN 76 11.779 -8.558 -2.848 614 1HB ASN 76 HB2 ASN 76 11.617 -9.277 0.069 615 2HB ASN 76 HB1 ASN 76 10.697 -7.928 -0.584 616 1HD2 ASN 76 HD21 ASN 76 11.370 -10.848 -2.389 617 2HD2 ASN 76 HD22 ASN 76 9.750 -11.449 -2.406 618 H LEU 77 HN LEU 77 14.392 -8.365 -0.555 619 HA LEU 77 HA LEU 77 14.496 -5.541 -0.332 620 1HB LEU 77 HB2 LEU 77 15.789 -6.921 1.169 621 2HB LEU 77 HB1 LEU 77 16.668 -7.633 -0.170 622 HG LEU 77 HG LEU 77 17.591 -5.322 -0.644 623 1HD1 LEU 77 HD11 LEU 77 15.955 -4.010 0.565 624 2HD1 LEU 77 HD12 LEU 77 17.568 -3.727 1.220 625 3HD1 LEU 77 HD13 LEU 77 16.435 -4.769 2.083 626 1HD2 LEU 77 HD21 LEU 77 19.287 -5.480 1.112 627 2HD2 LEU 77 HD22 LEU 77 18.914 -7.061 0.425 628 3HD2 LEU 77 HD23 LEU 77 18.261 -6.609 1.999 629 H GLY 78 HN GLY 78 15.759 -7.839 -2.675 630 1HA GLY 78 HA2 GLY 78 15.752 -6.958 -5.005 631 2HA GLY 78 HA1 GLY 78 16.584 -5.554 -4.357 632 H ARG 79 HN ARG 79 17.780 -8.092 -2.672 633 HA ARG 79 HA ARG 79 20.025 -8.366 -4.547 634 1HB ARG 79 HB2 ARG 79 19.879 -8.323 -1.565 635 2HB ARG 79 HB1 ARG 79 21.166 -9.240 -2.338 636 1HG ARG 79 HG2 ARG 79 20.987 -6.666 -3.557 637 2HG ARG 79 HG1 ARG 79 21.077 -6.485 -1.803 638 1HD ARG 79 HD2 ARG 79 23.295 -6.510 -2.903 639 2HD ARG 79 HD1 ARG 79 23.087 -7.790 -1.711 640 HE ARG 79 HE ARG 79 22.983 -9.374 -3.463 641 1HH1 ARG 79 HH11 ARG 79 23.603 -6.120 -4.619 642 2HH1 ARG 79 HH12 ARG 79 24.277 -6.664 -6.129 643 1HH2 ARG 79 HH21 ARG 79 23.886 -10.082 -5.439 644 2HH2 ARG 79 HH22 ARG 79 24.426 -8.891 -6.596 645 H ASN 80 HN ASN 80 20.579 -10.276 -5.312 646 HA ASN 80 HA ASN 80 18.912 -12.528 -4.997 647 1HB ASN 80 HB2 ASN 80 20.119 -12.201 -7.055 648 2HB ASN 80 HB1 ASN 80 21.661 -12.188 -6.210 649 1HD2 ASN 80 HD21 ASN 80 19.003 -14.179 -7.290 650 2HD2 ASN 80 HD22 ASN 80 19.852 -15.688 -7.203 651 HA PRO 81 HA PRO 81 20.700 -13.809 -1.123 652 1HB PRO 81 HB2 PRO 81 19.099 -15.946 -0.699 653 2HB PRO 81 HB1 PRO 81 18.554 -14.282 -0.469 654 1HG PRO 81 HG2 PRO 81 18.095 -16.122 -2.777 655 2HG PRO 81 HG1 PRO 81 16.964 -15.007 -1.990 656 1HD PRO 81 HD2 PRO 81 18.242 -14.439 -4.333 657 2HD PRO 81 HD1 PRO 81 17.742 -13.194 -3.171 658 H SER 82 HN SER 82 20.867 -15.439 -4.076 659 HA SER 82 HA SER 82 22.191 -17.797 -3.081 660 1HB SER 82 HB2 SER 82 20.929 -17.964 -5.160 661 2HB SER 82 HB1 SER 82 21.922 -16.707 -5.895 662 HG SER 82 HG SER 82 23.700 -18.338 -5.213 663 H ASP 83 HN ASP 83 23.060 -14.574 -3.582 664 HA ASP 83 HA ASP 83 25.826 -14.923 -4.158 665 1HB ASP 83 HB2 ASP 83 24.308 -12.672 -2.827 666 2HB ASP 83 HB1 ASP 83 26.047 -12.618 -3.088 667 H PHE 84 HN PHE 84 23.873 -15.380 -1.403 668 HA PHE 84 HA PHE 84 26.235 -15.666 0.332 669 1HB PHE 84 HB2 PHE 84 23.365 -15.347 1.233 670 2HB PHE 84 HB1 PHE 84 24.819 -15.225 2.218 671 HD1 PHE 84 HD2 PHE 84 26.354 -13.283 1.894 672 HD2 PHE 84 HD1 PHE 84 22.515 -13.490 0.070 673 HE1 PHE 84 HE2 PHE 84 26.418 -10.857 1.489 674 HE2 PHE 84 HE1 PHE 84 22.571 -11.067 -0.340 675 HZ PHE 84 HZ PHE 84 24.526 -9.747 0.370 676 H LYS 85 HN LYS 85 26.822 -17.732 0.430 677 HA LYS 85 HA LYS 85 24.949 -19.805 -0.317 678 1HB LYS 85 HB2 LYS 85 27.865 -19.999 0.466 679 2HB LYS 85 HB1 LYS 85 26.905 -21.280 -0.264 680 1HG LYS 85 HG2 LYS 85 26.635 -19.942 -2.283 681 2HG LYS 85 HG1 LYS 85 27.570 -18.638 -1.550 682 1HD LYS 85 HD2 LYS 85 28.595 -21.425 -2.086 683 2HD LYS 85 HD1 LYS 85 28.903 -20.018 -3.105 684 1HE LYS 85 HE2 LYS 85 29.712 -20.298 -0.211 685 2HE LYS 85 HE1 LYS 85 30.781 -20.520 -1.594 686 1HZ LYS 85 HZ1 LYS 85 29.402 -18.000 -0.822 687 2HZ LYS 85 HZ2 LYS 85 30.345 -18.198 -2.216 688 3HZ LYS 85 HZ3 LYS 85 31.060 -18.329 -0.682 689 H ASN 86 HN ASN 86 26.769 -18.838 2.543 690 HA ASN 86 HA ASN 86 25.772 -21.137 4.030 691 1HB ASN 86 HB2 ASN 86 27.637 -18.893 4.832 692 2HB ASN 86 HB1 ASN 86 27.198 -20.244 5.870 693 1HD2 ASN 86 HD21 ASN 86 28.926 -19.260 3.013 694 2HD2 ASN 86 HD22 ASN 86 29.880 -20.706 2.853 695 H ALA 87 HN ALA 87 24.534 -21.009 5.894 696 HA ALA 87 HA ALA 87 22.441 -19.165 5.968 697 1HB ALA 87 HB1 ALA 87 22.343 -21.361 7.050 698 2HB ALA 87 HB2 ALA 87 21.929 -20.069 8.177 699 3HB ALA 87 HB3 ALA 87 23.521 -20.822 8.248 700 H ASP 88 HN ASP 88 25.533 -19.215 7.630 701 HA ASP 88 HA ASP 88 25.269 -17.124 9.418 702 1HB ASP 88 HB2 ASP 88 27.715 -17.733 7.740 703 2HB ASP 88 HB1 ASP 88 27.692 -16.873 9.274 704 H GLU 89 HN GLU 89 26.342 -16.990 6.045 705 HA GLU 89 HA GLU 89 26.792 -14.229 5.912 706 1HB GLU 89 HB2 GLU 89 25.968 -16.066 3.660 707 2HB GLU 89 HB1 GLU 89 26.795 -14.522 3.502 708 1HG GLU 89 HG2 GLU 89 28.747 -15.420 4.610 709 2HG GLU 89 HG1 GLU 89 27.919 -16.956 4.866 710 H ARG 90 HN ARG 90 23.946 -16.168 5.141 711 HA ARG 90 HA ARG 90 22.399 -14.069 4.075 712 1HB ARG 90 HB2 ARG 90 21.604 -16.705 5.307 713 2HB ARG 90 HB1 ARG 90 20.457 -15.608 4.546 714 1HG ARG 90 HG2 ARG 90 21.704 -15.776 2.445 715 2HG ARG 90 HG1 ARG 90 22.826 -16.900 3.212 716 1HD ARG 90 HD2 ARG 90 21.115 -18.528 3.502 717 2HD ARG 90 HD1 ARG 90 19.861 -17.382 3.025 718 HE ARG 90 HE ARG 90 21.784 -17.699 0.954 719 1HH1 ARG 90 HH11 ARG 90 19.162 -19.453 2.476 720 2HH1 ARG 90 HH12 ARG 90 18.667 -20.236 1.009 721 1HH2 ARG 90 HH21 ARG 90 21.114 -18.713 -0.974 722 2HH2 ARG 90 HH22 ARG 90 19.738 -19.778 -0.964 723 H ILE 91 HN ILE 91 22.644 -15.381 7.360 724 HA ILE 91 HA ILE 91 20.658 -13.693 8.482 725 HB ILE 91 HB ILE 91 23.017 -15.041 9.815 726 1HG1 ILE 91 HG12 ILE 91 20.100 -15.838 9.661 727 2HG1 ILE 91 HG11 ILE 91 21.404 -16.579 8.739 728 1HG2 ILE 91 HG21 ILE 91 22.224 -13.167 11.155 729 2HG2 ILE 91 HG22 ILE 91 21.799 -14.700 11.917 730 3HG2 ILE 91 HG23 ILE 91 20.571 -13.775 11.051 731 1HD1 ILE 91 HD11 ILE 91 21.117 -16.606 11.734 732 2HD1 ILE 91 HD12 ILE 91 22.435 -17.336 10.820 733 3HD1 ILE 91 HD13 ILE 91 20.792 -17.949 10.638 734 H ALA 92 HN ALA 92 24.183 -13.447 8.217 735 HA ALA 92 HA ALA 92 24.533 -11.090 9.671 736 1HB ALA 92 HB1 ALA 92 26.169 -12.065 7.335 737 2HB ALA 92 HB2 ALA 92 26.368 -12.574 9.012 738 3HB ALA 92 HB3 ALA 92 26.681 -10.900 8.556 739 H TYR 93 HN TYR 93 23.726 -11.551 6.247 740 HA TYR 93 HA TYR 93 24.070 -8.804 5.589 741 1HB TYR 93 HB2 TYR 93 24.097 -10.686 3.910 742 2HB TYR 93 HB1 TYR 93 22.343 -10.769 4.083 743 HD1 TYR 93 HD1 TYR 93 25.061 -8.340 3.306 744 HD2 TYR 93 HD2 TYR 93 21.001 -9.459 2.706 745 HE1 TYR 93 HE1 TYR 93 24.817 -6.537 1.654 746 HE2 TYR 93 HE2 TYR 93 20.747 -7.658 1.049 747 HH TYR 93 HH TYR 93 21.844 -5.456 0.550 748 H ILE 94 HN ILE 94 21.269 -10.751 6.547 749 HA ILE 94 HA ILE 94 19.363 -8.680 6.191 750 HB ILE 94 HB ILE 94 19.250 -11.061 8.064 751 1HG1 ILE 94 HG12 ILE 94 18.112 -10.688 5.279 752 2HG1 ILE 94 HG11 ILE 94 19.523 -11.661 5.675 753 1HG2 ILE 94 HG21 ILE 94 17.670 -9.340 8.728 754 2HG2 ILE 94 HG22 ILE 94 16.819 -10.716 8.027 755 3HG2 ILE 94 HG23 ILE 94 17.050 -9.246 7.081 756 1HD1 ILE 94 HD11 ILE 94 18.116 -13.153 7.008 757 2HD1 ILE 94 HD12 ILE 94 17.555 -13.051 5.339 758 3HD1 ILE 94 HD13 ILE 94 16.704 -12.173 6.610 759 H LEU 95 HN LEU 95 21.519 -9.557 8.811 760 HA LEU 95 HA LEU 95 20.503 -7.638 10.670 761 1HB LEU 95 HB2 LEU 95 22.848 -9.442 10.512 762 2HB LEU 95 HB1 LEU 95 23.032 -8.023 11.521 763 HG LEU 95 HG LEU 95 22.337 -9.999 12.807 764 1HD1 LEU 95 HD11 LEU 95 21.742 -7.820 13.647 765 2HD1 LEU 95 HD12 LEU 95 20.431 -8.954 13.971 766 3HD1 LEU 95 HD13 LEU 95 20.289 -7.797 12.649 767 1HD2 LEU 95 HD21 LEU 95 19.810 -9.858 11.167 768 2HD2 LEU 95 HD22 LEU 95 20.089 -10.909 12.556 769 3HD2 LEU 95 HD23 LEU 95 21.030 -11.128 11.080 770 H LYS 96 HN LYS 96 22.575 -7.473 7.934 771 HA LYS 96 HA LYS 96 24.077 -5.181 8.669 772 1HB LYS 96 HB2 LYS 96 24.811 -6.689 6.889 773 2HB LYS 96 HB1 LYS 96 23.405 -6.260 5.925 774 1HG LYS 96 HG2 LYS 96 24.203 -3.989 5.705 775 2HG LYS 96 HG1 LYS 96 25.569 -4.342 6.765 776 1HD LYS 96 HD2 LYS 96 25.047 -5.687 4.115 777 2HD LYS 96 HD1 LYS 96 26.174 -4.353 4.366 778 1HE LYS 96 HE2 LYS 96 26.325 -7.074 5.665 779 2HE LYS 96 HE1 LYS 96 27.332 -6.505 4.334 780 1HZ LYS 96 HZ1 LYS 96 28.529 -6.299 6.384 781 2HZ LYS 96 HZ2 LYS 96 27.270 -5.415 7.099 782 3HZ LYS 96 HZ3 LYS 96 28.159 -4.738 5.823 783 H GLN 97 HN GLN 97 20.948 -5.637 7.120 784 HA GLN 97 HA GLN 97 20.557 -2.912 6.430 785 1HB GLN 97 HB2 GLN 97 18.719 -5.248 6.803 786 2HB GLN 97 HB1 GLN 97 18.048 -3.633 6.637 787 1HG GLN 97 HG2 GLN 97 18.066 -4.776 4.508 788 2HG GLN 97 HG1 GLN 97 19.155 -3.391 4.474 789 1HE2 GLN 97 HE21 GLN 97 18.921 -6.850 4.523 790 2HE2 GLN 97 HE22 GLN 97 20.550 -7.176 4.054 791 H ILE 98 HN ILE 98 19.929 -4.812 9.320 792 HA ILE 98 HA ILE 98 18.596 -2.763 10.763 793 HB ILE 98 HB ILE 98 20.178 -5.117 11.814 794 1HG1 ILE 98 HG12 ILE 98 17.230 -4.730 11.255 795 2HG1 ILE 98 HG11 ILE 98 18.325 -5.818 10.412 796 1HG2 ILE 98 HG21 ILE 98 18.915 -4.789 13.897 797 2HG2 ILE 98 HG22 ILE 98 18.198 -3.325 13.222 798 3HG2 ILE 98 HG23 ILE 98 19.935 -3.399 13.522 799 1HD1 ILE 98 HD11 ILE 98 16.869 -6.993 11.970 800 2HD1 ILE 98 HD12 ILE 98 17.526 -6.040 13.302 801 3HD1 ILE 98 HD13 ILE 98 18.567 -7.154 12.419 802 H ASP 99 HN ASP 99 21.971 -3.605 10.290 803 HA ASP 99 HA ASP 99 23.134 -1.852 12.141 804 1HB ASP 99 HB2 ASP 99 24.593 -3.406 11.121 805 2HB ASP 99 HB1 ASP 99 24.090 -2.943 9.498 806 H ASN 100 HN ASN 100 22.082 -1.325 8.798 807 HA ASN 100 HA ASN 100 22.947 1.386 8.702 808 1HB ASN 100 HB2 ASN 100 22.475 -0.087 6.693 809 2HB ASN 100 HB1 ASN 100 20.761 0.148 7.019 810 1HD2 ASN 100 HD21 ASN 100 23.204 2.611 7.503 811 2HD2 ASN 100 HD22 ASN 100 22.675 3.653 6.236 812 H LYS 101 HN LYS 101 20.069 -0.233 9.801 813 HA LYS 101 HA LYS 101 18.506 2.162 10.073 814 1HB LYS 101 HB2 LYS 101 17.514 -0.127 9.781 815 2HB LYS 101 HB1 LYS 101 18.066 -0.523 11.402 816 1HG LYS 101 HG2 LYS 101 16.687 1.361 12.262 817 2HG LYS 101 HG1 LYS 101 16.050 1.572 10.632 818 1HD LYS 101 HD2 LYS 101 15.132 -0.672 10.671 819 2HD LYS 101 HD1 LYS 101 15.836 -0.954 12.266 820 1HE LYS 101 HE2 LYS 101 13.763 1.137 11.600 821 2HE LYS 101 HE1 LYS 101 13.445 -0.401 12.401 822 1HZ LYS 101 HZ1 LYS 101 14.808 0.286 14.250 823 2HZ LYS 101 HZ2 LYS 101 13.622 1.468 13.964 824 3HZ LYS 101 HZ3 LYS 101 15.219 1.735 13.467 825 H GLY 102 HN GLY 102 21.170 1.052 11.672 826 1HA GLY 102 HA2 GLY 102 20.608 1.529 14.384 827 2HA GLY 102 HA1 GLY 102 22.196 1.642 13.639 828 H GLU 103 HN GLU 103 21.043 3.682 11.746 829 HA GLU 103 HA GLU 103 20.793 5.943 13.603 830 1HB GLU 103 HB2 GLU 103 21.876 7.319 11.791 831 2HB GLU 103 HB1 GLU 103 22.931 6.161 12.584 832 1HG GLU 103 HG2 GLU 103 22.442 4.608 10.640 833 2HG GLU 103 HG1 GLU 103 21.736 6.012 9.840 834 H LEU 104 HN LEU 104 19.530 7.782 12.677 835 HA LEU 104 HA LEU 104 17.063 6.583 11.779 836 1HB LEU 104 HB2 LEU 104 17.164 8.224 13.634 837 2HB LEU 104 HB1 LEU 104 17.648 9.456 12.486 838 HG LEU 104 HG LEU 104 15.494 9.217 11.319 839 1HD1 LEU 104 HD11 LEU 104 14.821 7.292 13.539 840 2HD1 LEU 104 HD12 LEU 104 15.045 6.879 11.840 841 3HD1 LEU 104 HD13 LEU 104 13.697 7.906 12.328 842 1HD2 LEU 104 HD21 LEU 104 15.740 10.885 13.078 843 2HD2 LEU 104 HD22 LEU 104 15.240 9.698 14.283 844 3HD2 LEU 104 HD23 LEU 104 14.101 10.233 13.048 845 H GLU 105 HN GLU 105 19.330 9.022 10.542 846 HA GLU 105 HA GLU 105 17.811 9.580 8.203 847 1HB GLU 105 HB2 GLU 105 19.539 11.126 9.044 848 2HB GLU 105 HB1 GLU 105 20.781 9.935 8.680 849 1HG GLU 105 HG2 GLU 105 20.408 10.131 6.348 850 2HG GLU 105 HG1 GLU 105 18.946 11.081 6.597 851 H HIS 106 HN HIS 106 17.525 8.341 6.466 852 HA HIS 106 HA HIS 106 18.636 5.735 6.410 853 1HB HIS 106 HB2 HIS 106 17.418 5.517 4.209 854 2HB HIS 106 HB1 HIS 106 16.427 5.917 5.600 855 HD1 HIS 106 HD1 HIS 106 15.367 8.299 5.664 856 HD2 HIS 106 HD2 HIS 106 17.461 7.421 2.174 857 HE1 HIS 106 HE1 HIS 106 14.635 10.017 3.977 858 HE2 HIS 106 HE2 HIS 106 16.036 9.570 1.931 859 H HIS 107 HN HIS 107 20.705 5.571 6.145 860 HA HIS 107 HA HIS 107 22.822 5.909 5.409 861 1HB HIS 107 HB2 HIS 107 23.128 5.181 2.998 862 2HB HIS 107 HB1 HIS 107 22.354 4.048 4.090 863 HD1 HIS 107 HD1 HIS 107 20.100 3.188 3.444 864 HD2 HIS 107 HD2 HIS 107 21.319 6.385 1.081 865 HE1 HIS 107 HE1 HIS 107 18.437 3.312 1.561 866 HE2 HIS 107 HE2 HIS 107 19.346 5.083 0.022 867 H HIS 108 HN HIS 108 21.898 8.336 5.764 868 HA HIS 108 HA HIS 108 22.615 10.453 5.479 869 1HB HIS 108 HB2 HIS 108 24.338 9.266 3.302 870 2HB HIS 108 HB1 HIS 108 24.447 10.933 3.859 871 HD1 HIS 108 HD1 HIS 108 26.404 8.185 4.148 872 HD2 HIS 108 HD2 HIS 108 24.551 10.529 7.046 873 HE1 HIS 108 HE1 HIS 108 27.710 7.809 6.269 874 HE2 HIS 108 HE2 HIS 108 26.447 9.082 8.044 875 H HIS 109 HN HIS 109 21.718 12.204 4.609 876 HA HIS 109 HA HIS 109 20.099 12.046 2.269 877 1HB HIS 109 HB2 HIS 109 19.920 14.523 2.462 878 2HB HIS 109 HB1 HIS 109 19.526 13.688 3.954 879 HD1 HIS 109 HD1 HIS 109 20.996 14.157 6.002 880 HD2 HIS 109 HD2 HIS 109 22.266 16.103 2.547 881 HE1 HIS 109 HE1 HIS 109 22.674 15.864 6.758 882 HE2 HIS 109 HE2 HIS 109 23.261 17.166 4.690 883 H HIS 110 HN HIS 110 20.601 12.431 0.174 884 HA HIS 110 HA HIS 110 23.222 11.850 -0.559 885 1HB HIS 110 HB2 HIS 110 20.828 11.818 -1.851 886 2HB HIS 110 HB1 HIS 110 21.624 13.174 -2.645 887 HD1 HIS 110 HD1 HIS 110 23.544 12.644 -4.246 888 HD2 HIS 110 HD2 HIS 110 22.123 9.316 -2.192 889 HE1 HIS 110 HE1 HIS 110 24.623 10.653 -5.344 890 HE2 HIS 110 HE2 HIS 110 23.879 8.667 -3.971 891 H HIS 111 HN HIS 111 21.551 14.976 -0.567 892 HA HIS 111 HA HIS 111 24.193 16.208 -0.906 893 1HB HIS 111 HB2 HIS 111 23.196 18.097 -2.083 894 2HB HIS 111 HB1 HIS 111 22.850 16.601 -2.938 895 HD1 HIS 111 HD1 HIS 111 21.237 19.488 -1.280 896 HD2 HIS 111 HD2 HIS 111 20.112 15.789 -2.821 897 HE1 HIS 111 HE1 HIS 111 18.738 19.585 -1.527 898 HE2 HIS 111 HE2 HIS 111 18.116 17.427 -2.664 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -4.711 -0.317 1.833 2 2H MET 1 HT2 MET 1 -4.227 0.949 2.853 3 3H MET 1 HT3 MET 1 -5.482 1.190 1.740 4 HA MET 1 HA MET 1 -5.575 -0.708 4.010 5 1HB MET 1 HB2 MET 1 -5.544 1.793 4.551 6 2HB MET 1 HB1 MET 1 -7.088 1.891 3.718 7 1HG MET 1 HG2 MET 1 -7.382 1.750 6.121 8 2HG MET 1 HG1 MET 1 -8.068 0.343 5.313 9 1HE MET 1 HE1 MET 1 -4.287 1.168 6.155 10 2HE MET 1 HE2 MET 1 -4.120 0.349 7.708 11 3HE MET 1 HE3 MET 1 -5.195 1.736 7.555 12 H PHE 2 HN PHE 2 -8.217 -0.823 4.419 13 HA PHE 2 HA PHE 2 -9.197 -1.937 1.889 14 1HB PHE 2 HB2 PHE 2 -10.236 -2.385 4.694 15 2HB PHE 2 HB1 PHE 2 -10.710 -3.268 3.246 16 HD1 PHE 2 HD2 PHE 2 -8.922 -4.635 2.058 17 HD2 PHE 2 HD1 PHE 2 -8.466 -3.116 6.006 18 HE1 PHE 2 HE2 PHE 2 -7.148 -6.286 2.483 19 HE2 PHE 2 HE1 PHE 2 -6.693 -4.765 6.442 20 HZ PHE 2 HZ PHE 2 -6.031 -6.354 4.678 21 H THR 3 HN THR 3 -11.300 -1.485 1.128 22 HA THR 3 HA THR 3 -12.587 0.844 2.385 23 HB THR 3 HB THR 3 -13.441 1.319 -0.005 24 HG1 THR 3 HG1 THR 3 -12.075 0.551 -1.658 25 1HG2 THR 3 HG21 THR 3 -11.446 2.638 -0.539 26 2HG2 THR 3 HG22 THR 3 -10.524 1.729 0.658 27 3HG2 THR 3 HG23 THR 3 -11.860 2.762 1.171 28 H ALA 4 HN ALA 4 -14.675 0.654 2.879 29 HA ALA 4 HA ALA 4 -16.144 -1.686 1.839 30 1HB ALA 4 HB1 ALA 4 -17.400 -1.701 3.933 31 2HB ALA 4 HB2 ALA 4 -16.473 -0.313 4.505 32 3HB ALA 4 HB3 ALA 4 -15.669 -1.860 4.236 33 H LYS 5 HN LYS 5 -17.964 -1.279 0.729 34 HA LYS 5 HA LYS 5 -19.022 1.472 0.859 35 1HB LYS 5 HB2 LYS 5 -18.069 1.018 -1.306 36 2HB LYS 5 HB1 LYS 5 -18.945 -0.499 -1.430 37 1HG LYS 5 HG2 LYS 5 -21.010 0.609 -1.735 38 2HG LYS 5 HG1 LYS 5 -20.325 2.165 -1.268 39 1HD LYS 5 HD2 LYS 5 -20.671 1.945 -3.713 40 2HD LYS 5 HD1 LYS 5 -18.990 2.239 -3.277 41 1HE LYS 5 HE2 LYS 5 -19.915 -0.573 -3.600 42 2HE LYS 5 HE1 LYS 5 -19.658 0.401 -5.045 43 1HZ LYS 5 HZ1 LYS 5 -17.709 -0.972 -4.208 44 2HZ LYS 5 HZ2 LYS 5 -17.578 0.165 -2.955 45 3HZ LYS 5 HZ3 LYS 5 -17.402 0.656 -4.563 46 H LEU 6 HN LEU 6 -20.963 1.672 1.730 47 HA LEU 6 HA LEU 6 -22.520 -0.511 2.588 48 1HB LEU 6 HB2 LEU 6 -22.558 1.722 3.638 49 2HB LEU 6 HB1 LEU 6 -23.320 2.378 2.205 50 HG LEU 6 HG LEU 6 -25.305 0.967 2.637 51 1HD1 LEU 6 HD11 LEU 6 -25.565 -0.172 4.770 52 2HD1 LEU 6 HD12 LEU 6 -23.904 0.238 5.200 53 3HD1 LEU 6 HD13 LEU 6 -24.222 -0.856 3.853 54 1HD2 LEU 6 HD21 LEU 6 -25.235 3.248 3.427 55 2HD2 LEU 6 HD22 LEU 6 -24.479 2.714 4.928 56 3HD2 LEU 6 HD23 LEU 6 -26.128 2.218 4.546 57 H ILE 7 HN ILE 7 -23.923 -1.739 1.536 58 HA ILE 7 HA ILE 7 -24.924 -0.792 -1.077 59 HB ILE 7 HB ILE 7 -24.910 -3.126 -1.842 60 1HG1 ILE 7 HG12 ILE 7 -23.525 -3.697 0.785 61 2HG1 ILE 7 HG11 ILE 7 -25.144 -4.225 0.342 62 1HG2 ILE 7 HG21 ILE 7 -23.004 -1.700 -2.331 63 2HG2 ILE 7 HG22 ILE 7 -22.492 -3.372 -2.089 64 3HG2 ILE 7 HG23 ILE 7 -22.243 -2.180 -0.811 65 1HD1 ILE 7 HD11 ILE 7 -23.523 -6.020 0.123 66 2HD1 ILE 7 HD12 ILE 7 -22.595 -5.049 -1.020 67 3HD1 ILE 7 HD13 ILE 7 -24.219 -5.594 -1.441 68 H LYS 8 HN LYS 8 -25.866 -1.241 1.939 69 HA LYS 8 HA LYS 8 -28.573 -2.046 1.151 70 1HB LYS 8 HB2 LYS 8 -26.815 -3.406 2.988 71 2HB LYS 8 HB1 LYS 8 -28.242 -2.823 3.833 72 1HG LYS 8 HG2 LYS 8 -29.694 -4.038 2.395 73 2HG LYS 8 HG1 LYS 8 -28.366 -4.447 1.305 74 1HD LYS 8 HD2 LYS 8 -27.327 -5.788 3.050 75 2HD LYS 8 HD1 LYS 8 -28.611 -5.342 4.175 76 1HE LYS 8 HE2 LYS 8 -30.234 -6.549 2.953 77 2HE LYS 8 HE1 LYS 8 -29.159 -6.737 1.567 78 1HZ LYS 8 HZ1 LYS 8 -29.344 -8.766 2.894 79 2HZ LYS 8 HZ2 LYS 8 -28.706 -7.964 4.241 80 3HZ LYS 8 HZ3 LYS 8 -27.756 -8.188 2.853 81 H GLY 9 HN GLY 9 -29.613 -0.150 1.278 82 1HA GLY 9 HA2 GLY 9 -30.866 1.226 2.850 83 2HA GLY 9 HA1 GLY 9 -29.409 1.314 3.831 84 H LYS 10 HN LYS 10 -28.419 3.206 3.723 85 HA LYS 10 HA LYS 10 -27.762 4.500 1.319 86 1HB LYS 10 HB2 LYS 10 -30.257 5.052 1.554 87 2HB LYS 10 HB1 LYS 10 -29.789 6.047 2.929 88 1HG LYS 10 HG2 LYS 10 -30.011 7.326 0.825 89 2HG LYS 10 HG1 LYS 10 -28.389 7.418 1.522 90 1HD LYS 10 HD2 LYS 10 -27.680 5.602 -0.014 91 2HD LYS 10 HD1 LYS 10 -29.279 5.649 -0.753 92 1HE LYS 10 HE2 LYS 10 -28.919 7.914 -1.487 93 2HE LYS 10 HE1 LYS 10 -27.373 7.981 -0.641 94 1HZ LYS 10 HZ1 LYS 10 -28.004 6.108 -2.859 95 2HZ LYS 10 HZ2 LYS 10 -26.500 6.305 -2.103 96 3HZ LYS 10 HZ3 LYS 10 -27.144 7.560 -3.043 97 H THR 11 HN THR 11 -28.502 5.064 4.746 98 HA THR 11 HA THR 11 -25.700 5.847 5.084 99 HB THR 11 HB THR 11 -26.652 7.388 6.977 100 HG1 THR 11 HG1 THR 11 -28.749 7.599 6.937 101 1HG2 THR 11 HG21 THR 11 -26.734 9.278 5.412 102 2HG2 THR 11 HG22 THR 11 -26.819 8.151 4.059 103 3HG2 THR 11 HG23 THR 11 -25.373 8.209 5.068 104 H TYR 12 HN TYR 12 -24.804 4.345 6.302 105 HA TYR 12 HA TYR 12 -26.340 3.248 8.571 106 1HB TYR 12 HB2 TYR 12 -25.813 1.717 6.533 107 2HB TYR 12 HB1 TYR 12 -24.168 1.723 7.156 108 HD1 TYR 12 HD2 TYR 12 -23.914 1.054 9.670 109 HD2 TYR 12 HD1 TYR 12 -27.302 0.138 7.273 110 HE1 TYR 12 HE2 TYR 12 -24.501 -0.753 11.222 111 HE2 TYR 12 HE1 TYR 12 -27.917 -1.671 8.826 112 HH TYR 12 HH TYR 12 -26.900 -3.096 10.481 113 H ASN 13 HN ASN 13 -25.498 4.007 10.408 114 HA ASN 13 HA ASN 13 -22.687 4.778 10.493 115 1HB ASN 13 HB2 ASN 13 -24.309 6.392 11.351 116 2HB ASN 13 HB1 ASN 13 -24.917 5.202 12.496 117 1HD2 ASN 13 HD21 ASN 13 -22.266 7.328 11.688 118 2HD2 ASN 13 HD22 ASN 13 -21.505 7.278 13.244 119 H VAL 14 HN VAL 14 -21.349 3.151 10.902 120 HA VAL 14 HA VAL 14 -22.084 1.174 12.950 121 HB VAL 14 HB VAL 14 -19.821 1.090 10.942 122 1HG1 VAL 14 HG11 VAL 14 -19.554 -1.250 11.654 123 2HG1 VAL 14 HG12 VAL 14 -20.773 -0.993 12.903 124 3HG1 VAL 14 HG13 VAL 14 -19.244 -0.117 12.970 125 1HG2 VAL 14 HG21 VAL 14 -22.408 -0.448 11.014 126 2HG2 VAL 14 HG22 VAL 14 -21.105 -0.665 9.845 127 3HG2 VAL 14 HG23 VAL 14 -22.007 0.849 9.889 128 H MET 15 HN MET 15 -21.469 1.734 14.906 129 HA MET 15 HA MET 15 -20.262 2.428 16.684 130 1HB MET 15 HB2 MET 15 -17.926 2.152 14.789 131 2HB MET 15 HB1 MET 15 -17.765 2.514 16.499 132 1HG MET 15 HG2 MET 15 -18.823 0.383 17.048 133 2HG MET 15 HG1 MET 15 -18.973 0.021 15.328 134 1HE MET 15 HE1 MET 15 -17.517 -1.876 17.527 135 2HE MET 15 HE2 MET 15 -16.142 -2.427 16.569 136 3HE MET 15 HE3 MET 15 -17.740 -2.307 15.831 137 H GLY 16 HN GLY 16 -18.219 4.000 14.262 138 1HA GLY 16 HA2 GLY 16 -19.381 6.591 15.032 139 2HA GLY 16 HA1 GLY 16 -17.641 6.352 15.130 140 H ILE 17 HN ILE 17 -18.613 4.525 12.589 141 HA ILE 17 HA ILE 17 -17.893 6.673 10.713 142 HB ILE 17 HB ILE 17 -17.763 3.682 10.227 143 1HG1 ILE 17 HG12 ILE 17 -15.214 4.218 10.193 144 2HG1 ILE 17 HG11 ILE 17 -15.661 5.633 11.143 145 1HG2 ILE 17 HG21 ILE 17 -18.081 4.972 8.203 146 2HG2 ILE 17 HG22 ILE 17 -16.451 4.305 8.253 147 3HG2 ILE 17 HG23 ILE 17 -16.718 6.009 8.620 148 1HD1 ILE 17 HD11 ILE 17 -14.927 3.819 12.568 149 2HD1 ILE 17 HD12 ILE 17 -16.166 2.760 11.891 150 3HD1 ILE 17 HD13 ILE 17 -16.635 4.170 12.842 151 H THR 18 HN THR 18 -19.575 7.515 9.654 152 HA THR 18 HA THR 18 -21.987 5.931 9.251 153 HB THR 18 HB THR 18 -21.441 8.784 8.392 154 HG1 THR 18 HG1 THR 18 -22.155 9.411 10.340 155 1HG2 THR 18 HG21 THR 18 -23.312 7.723 7.222 156 2HG2 THR 18 HG22 THR 18 -23.887 8.964 8.335 157 3HG2 THR 18 HG23 THR 18 -24.026 7.259 8.767 158 H PHE 19 HN PHE 19 -21.845 4.525 7.626 159 HA PHE 19 HA PHE 19 -20.388 5.140 5.199 160 1HB PHE 19 HB2 PHE 19 -22.026 2.717 5.985 161 2HB PHE 19 HB1 PHE 19 -21.070 2.855 4.513 162 HD1 PHE 19 HD1 PHE 19 -18.652 2.761 4.584 163 HD2 PHE 19 HD2 PHE 19 -20.973 2.406 8.132 164 HE1 PHE 19 HE1 PHE 19 -16.686 1.891 5.780 165 HE2 PHE 19 HE2 PHE 19 -19.012 1.538 9.338 166 HZ PHE 19 HZ PHE 19 -16.867 1.280 8.159 167 H ARG 20 HN ARG 20 -21.308 5.343 3.160 168 HA ARG 20 HA ARG 20 -24.209 5.824 3.140 169 1HB ARG 20 HB2 ARG 20 -22.031 7.321 1.665 170 2HB ARG 20 HB1 ARG 20 -23.752 7.553 1.389 171 1HG ARG 20 HG2 ARG 20 -24.062 8.397 3.606 172 2HG ARG 20 HG1 ARG 20 -22.404 7.983 4.044 173 1HD ARG 20 HD2 ARG 20 -21.540 9.613 2.492 174 2HD ARG 20 HD1 ARG 20 -23.163 9.956 1.893 175 HE ARG 20 HE ARG 20 -23.572 10.685 4.332 176 1HH1 ARG 20 HH11 ARG 20 -20.520 11.035 2.645 177 2HH1 ARG 20 HH12 ARG 20 -20.053 12.466 3.507 178 1HH2 ARG 20 HH21 ARG 20 -22.977 12.579 5.451 179 2HH2 ARG 20 HH22 ARG 20 -21.465 13.363 5.095 180 H ALA 21 HN ALA 21 -25.363 4.768 1.636 181 HA ALA 21 HA ALA 21 -24.251 2.690 0.126 182 1HB ALA 21 HB1 ALA 21 -26.416 2.504 -0.960 183 2HB ALA 21 HB2 ALA 21 -26.873 4.098 -0.360 184 3HB ALA 21 HB3 ALA 21 -26.615 2.769 0.773 185 H GLY 22 HN GLY 22 -22.915 2.835 -1.510 186 1HA GLY 22 HA2 GLY 22 -22.659 3.385 -3.870 187 2HA GLY 22 HA1 GLY 22 -23.341 4.966 -3.513 188 H VAL 23 HN VAL 23 -21.559 4.607 -0.920 189 HA VAL 23 HA VAL 23 -19.138 5.714 -2.196 190 HB VAL 23 HB VAL 23 -20.201 6.371 0.556 191 1HG1 VAL 23 HG11 VAL 23 -18.586 8.201 0.497 192 2HG1 VAL 23 HG12 VAL 23 -18.013 7.646 -1.078 193 3HG1 VAL 23 HG13 VAL 23 -17.793 6.632 0.349 194 1HG2 VAL 23 HG21 VAL 23 -21.730 7.199 -1.147 195 2HG2 VAL 23 HG22 VAL 23 -20.393 7.988 -1.983 196 3HG2 VAL 23 HG23 VAL 23 -20.871 8.532 -0.374 197 H SER 24 HN SER 24 -17.430 4.390 -2.012 198 HA SER 24 HA SER 24 -17.224 2.457 0.127 199 1HB SER 24 HB2 SER 24 -15.090 3.237 -1.873 200 2HB SER 24 HB1 SER 24 -15.201 1.736 -0.953 201 HG SER 24 HG SER 24 -16.659 2.596 -3.189 202 H GLN 25 HN GLN 25 -16.360 2.857 2.071 203 HA GLN 25 HA GLN 25 -14.580 5.189 2.317 204 1HB GLN 25 HB2 GLN 25 -16.564 4.156 4.350 205 2HB GLN 25 HB1 GLN 25 -15.466 5.511 4.594 206 1HG GLN 25 HG2 GLN 25 -16.551 6.665 2.690 207 2HG GLN 25 HG1 GLN 25 -17.704 5.338 2.591 208 1HE2 GLN 25 HE21 GLN 25 -17.786 5.051 5.518 209 2HE2 GLN 25 HE22 GLN 25 -18.755 6.370 6.080 210 H THR 26 HN THR 26 -12.812 5.029 3.654 211 HA THR 26 HA THR 26 -11.581 2.474 3.664 212 HB THR 26 HB THR 26 -10.531 4.858 5.165 213 HG1 THR 26 HG1 THR 26 -10.366 5.960 3.371 214 1HG2 THR 26 HG21 THR 26 -9.242 2.777 5.224 215 2HG2 THR 26 HG22 THR 26 -8.384 4.032 4.330 216 3HG2 THR 26 HG23 THR 26 -9.215 2.742 3.460 217 H VAL 27 HN VAL 27 -11.428 0.990 5.246 218 HA VAL 27 HA VAL 27 -12.064 1.802 8.006 219 HB VAL 27 HB VAL 27 -13.304 -0.217 8.425 220 1HG1 VAL 27 HG11 VAL 27 -14.572 1.656 7.553 221 2HG1 VAL 27 HG12 VAL 27 -15.267 0.127 7.012 222 3HG1 VAL 27 HG13 VAL 27 -14.296 1.097 5.903 223 1HG2 VAL 27 HG21 VAL 27 -12.783 -0.966 5.544 224 2HG2 VAL 27 HG22 VAL 27 -13.839 -1.841 6.656 225 3HG2 VAL 27 HG23 VAL 27 -12.105 -1.758 6.967 226 HA PRO 28 HA PRO 28 -8.357 -0.442 9.080 227 1HB PRO 28 HB2 PRO 28 -9.655 -1.158 11.618 228 2HB PRO 28 HB1 PRO 28 -8.230 -0.155 11.334 229 1HG PRO 28 HG2 PRO 28 -10.564 0.901 12.147 230 2HG PRO 28 HG1 PRO 28 -9.473 1.769 11.050 231 1HD PRO 28 HD2 PRO 28 -11.971 0.238 10.424 232 2HD PRO 28 HD1 PRO 28 -11.416 1.799 9.778 233 H LYS 29 HN LYS 29 -7.668 -2.620 9.827 234 HA LYS 29 HA LYS 29 -8.964 -4.582 8.296 235 1HB LYS 29 HB2 LYS 29 -7.320 -6.132 9.160 236 2HB LYS 29 HB1 LYS 29 -6.547 -4.594 8.805 237 1HG LYS 29 HG2 LYS 29 -6.772 -4.041 11.249 238 2HG LYS 29 HG1 LYS 29 -7.261 -5.718 11.496 239 1HD LYS 29 HD2 LYS 29 -4.908 -5.528 11.945 240 2HD LYS 29 HD1 LYS 29 -5.124 -6.432 10.444 241 1HE LYS 29 HE2 LYS 29 -4.585 -4.489 9.135 242 2HE LYS 29 HE1 LYS 29 -4.549 -3.479 10.579 243 1HZ LYS 29 HZ1 LYS 29 -2.651 -5.643 9.855 244 2HZ LYS 29 HZ2 LYS 29 -2.682 -4.886 11.373 245 3HZ LYS 29 HZ3 LYS 29 -2.328 -3.982 9.982 246 H LYS 30 HN LYS 30 -9.131 -3.828 11.731 247 HA LYS 30 HA LYS 30 -10.498 -6.122 12.587 248 1HB LYS 30 HB2 LYS 30 -10.651 -3.294 13.645 249 2HB LYS 30 HB1 LYS 30 -11.313 -4.702 14.462 250 1HG LYS 30 HG2 LYS 30 -9.044 -5.662 14.575 251 2HG LYS 30 HG1 LYS 30 -8.415 -4.181 13.850 252 1HD LYS 30 HD2 LYS 30 -9.272 -2.886 15.731 253 2HD LYS 30 HD1 LYS 30 -9.940 -4.350 16.449 254 1HE LYS 30 HE2 LYS 30 -7.020 -3.796 15.939 255 2HE LYS 30 HE1 LYS 30 -7.831 -3.725 17.502 256 1HZ LYS 30 HZ1 LYS 30 -6.729 -5.801 17.348 257 2HZ LYS 30 HZ2 LYS 30 -7.386 -6.128 15.817 258 3HZ LYS 30 HZ3 LYS 30 -8.387 -6.118 17.185 259 H LEU 31 HN LEU 31 -11.714 -3.012 11.387 260 HA LEU 31 HA LEU 31 -14.451 -3.798 11.619 261 1HB LEU 31 HB2 LEU 31 -13.154 -1.491 10.178 262 2HB LEU 31 HB1 LEU 31 -14.888 -1.737 10.258 263 HG LEU 31 HG LEU 31 -13.045 -1.200 12.588 264 1HD1 LEU 31 HD11 LEU 31 -14.334 0.873 12.785 265 2HD1 LEU 31 HD12 LEU 31 -15.238 0.446 11.332 266 3HD1 LEU 31 HD13 LEU 31 -13.506 0.763 11.232 267 1HD2 LEU 31 HD21 LEU 31 -14.809 -2.755 13.228 268 2HD2 LEU 31 HD22 LEU 31 -16.024 -1.672 12.552 269 3HD2 LEU 31 HD23 LEU 31 -15.077 -1.171 13.953 270 H TYR 32 HN TYR 32 -11.994 -4.132 9.221 271 HA TYR 32 HA TYR 32 -13.597 -4.589 6.958 272 1HB TYR 32 HB2 TYR 32 -11.149 -4.253 6.879 273 2HB TYR 32 HB1 TYR 32 -10.920 -5.813 7.658 274 HD1 TYR 32 HD1 TYR 32 -12.651 -4.380 4.667 275 HD2 TYR 32 HD2 TYR 32 -10.405 -7.601 6.298 276 HE1 TYR 32 HE1 TYR 32 -12.586 -5.446 2.454 277 HE2 TYR 32 HE2 TYR 32 -10.335 -8.680 4.090 278 HH TYR 32 HH TYR 32 -11.269 -7.053 1.225 279 H GLU 33 HN GLU 33 -12.315 -6.822 9.411 280 HA GLU 33 HA GLU 33 -13.736 -9.079 8.344 281 1HB GLU 33 HB2 GLU 33 -11.618 -9.282 9.646 282 2HB GLU 33 HB1 GLU 33 -12.483 -8.746 11.079 283 1HG GLU 33 HG2 GLU 33 -12.257 -11.136 11.119 284 2HG GLU 33 HG1 GLU 33 -13.953 -10.713 10.899 285 H TYR 34 HN TYR 34 -14.272 -6.699 10.862 286 HA TYR 34 HA TYR 34 -16.491 -7.826 12.124 287 1HB TYR 34 HB2 TYR 34 -15.234 -5.791 12.885 288 2HB TYR 34 HB1 TYR 34 -16.025 -4.882 11.604 289 HD1 TYR 34 HD1 TYR 34 -18.420 -4.352 11.751 290 HD2 TYR 34 HD2 TYR 34 -16.423 -6.436 14.878 291 HE1 TYR 34 HE1 TYR 34 -20.309 -3.892 13.256 292 HE2 TYR 34 HE2 TYR 34 -18.306 -5.984 16.390 293 HH TYR 34 HH TYR 34 -21.290 -5.028 15.377 294 H LEU 35 HN LEU 35 -16.337 -5.629 9.336 295 HA LEU 35 HA LEU 35 -19.179 -5.778 8.900 296 1HB LEU 35 HB2 LEU 35 -17.005 -4.646 7.140 297 2HB LEU 35 HB1 LEU 35 -18.728 -4.423 6.905 298 HG LEU 35 HG LEU 35 -17.090 -3.373 9.215 299 1HD1 LEU 35 HD11 LEU 35 -16.737 -2.151 7.144 300 2HD1 LEU 35 HD12 LEU 35 -17.659 -1.180 8.292 301 3HD1 LEU 35 HD13 LEU 35 -18.478 -1.964 6.941 302 1HD2 LEU 35 HD21 LEU 35 -19.158 -2.256 9.920 303 2HD2 LEU 35 HD22 LEU 35 -19.313 -4.012 9.971 304 3HD2 LEU 35 HD23 LEU 35 -20.041 -3.101 8.648 305 H ASN 36 HN ASN 36 -16.464 -7.631 8.010 306 HA ASN 36 HA ASN 36 -17.384 -8.832 5.644 307 1HB ASN 36 HB2 ASN 36 -15.101 -9.143 6.508 308 2HB ASN 36 HB1 ASN 36 -15.736 -10.036 7.884 309 1HD2 ASN 36 HD21 ASN 36 -14.644 -11.890 7.460 310 2HD2 ASN 36 HD22 ASN 36 -14.977 -12.893 6.088 311 H GLU 37 HN GLU 37 -17.971 -9.537 9.049 312 HA GLU 37 HA GLU 37 -19.777 -11.719 8.428 313 1HB GLU 37 HB2 GLU 37 -19.339 -10.390 11.100 314 2HB GLU 37 HB1 GLU 37 -20.012 -11.985 10.799 315 1HG GLU 37 HG2 GLU 37 -17.808 -12.670 9.881 316 2HG GLU 37 HG1 GLU 37 -17.167 -11.106 10.381 317 H ASN 38 HN ASN 38 -20.132 -8.550 8.024 318 HA ASN 38 HA ASN 38 -22.965 -8.577 8.833 319 1HB ASN 38 HB2 ASN 38 -20.943 -6.363 9.074 320 2HB ASN 38 HB1 ASN 38 -22.656 -5.992 8.904 321 1HD2 ASN 38 HD21 ASN 38 -20.208 -7.356 10.963 322 2HD2 ASN 38 HD22 ASN 38 -21.182 -7.442 12.393 323 HA PRO 39 HA PRO 39 -22.934 -8.291 4.322 324 1HB PRO 39 HB2 PRO 39 -25.722 -9.147 4.576 325 2HB PRO 39 HB1 PRO 39 -24.374 -9.953 3.772 326 1HG PRO 39 HG2 PRO 39 -25.449 -10.902 6.051 327 2HG PRO 39 HG1 PRO 39 -23.722 -11.060 5.684 328 1HD PRO 39 HD2 PRO 39 -25.106 -9.081 7.464 329 2HD PRO 39 HD1 PRO 39 -23.605 -9.992 7.748 330 H TYR 40 HN TYR 40 -23.009 -5.870 5.298 331 HA TYR 40 HA TYR 40 -25.432 -4.676 4.093 332 1HB TYR 40 HB2 TYR 40 -23.579 -3.415 6.125 333 2HB TYR 40 HB1 TYR 40 -25.019 -2.680 5.442 334 HD1 TYR 40 HD2 TYR 40 -27.246 -3.486 6.109 335 HD2 TYR 40 HD1 TYR 40 -23.696 -4.957 7.927 336 HE1 TYR 40 HE2 TYR 40 -28.570 -4.333 7.988 337 HE2 TYR 40 HE1 TYR 40 -25.006 -5.810 9.818 338 HH TYR 40 HH TYR 40 -27.118 -5.449 10.903 339 H PHE 41 HN PHE 41 -22.143 -5.234 3.742 340 HA PHE 41 HA PHE 41 -21.748 -2.783 2.171 341 1HB PHE 41 HB2 PHE 41 -19.714 -4.035 4.031 342 2HB PHE 41 HB1 PHE 41 -19.511 -2.553 3.098 343 HD1 PHE 41 HD1 PHE 41 -20.688 -0.513 3.755 344 HD2 PHE 41 HD2 PHE 41 -20.934 -4.067 6.077 345 HE1 PHE 41 HE1 PHE 41 -21.559 0.787 5.654 346 HE2 PHE 41 HE2 PHE 41 -21.810 -2.776 7.980 347 HZ PHE 41 HZ PHE 41 -22.122 -0.343 7.766 348 H ILE 42 HN ILE 42 -20.421 -2.971 0.378 349 HA ILE 42 HA ILE 42 -19.438 -5.657 -0.237 350 HB ILE 42 HB ILE 42 -20.624 -4.491 -2.046 351 1HG1 ILE 42 HG12 ILE 42 -17.672 -4.799 -2.619 352 2HG1 ILE 42 HG11 ILE 42 -18.832 -6.121 -2.556 353 1HG2 ILE 42 HG21 ILE 42 -18.403 -2.471 -1.897 354 2HG2 ILE 42 HG22 ILE 42 -20.100 -2.195 -1.502 355 3HG2 ILE 42 HG23 ILE 42 -19.627 -2.554 -3.163 356 1HD1 ILE 42 HD11 ILE 42 -18.336 -5.482 -4.846 357 2HD1 ILE 42 HD12 ILE 42 -18.873 -3.835 -4.512 358 3HD1 ILE 42 HD13 ILE 42 -20.026 -5.167 -4.454 359 H LEU 43 HN LEU 43 -17.462 -6.171 0.286 360 HA LEU 43 HA LEU 43 -15.670 -4.070 1.215 361 1HB LEU 43 HB2 LEU 43 -15.601 -7.070 1.540 362 2HB LEU 43 HB1 LEU 43 -14.422 -5.966 2.229 363 HG LEU 43 HG LEU 43 -17.342 -5.673 2.859 364 1HD1 LEU 43 HD11 LEU 43 -16.739 -7.985 3.375 365 2HD1 LEU 43 HD12 LEU 43 -17.045 -7.040 4.828 366 3HD1 LEU 43 HD13 LEU 43 -15.385 -7.412 4.350 367 1HD2 LEU 43 HD21 LEU 43 -16.465 -4.624 4.883 368 2HD2 LEU 43 HD22 LEU 43 -15.845 -3.836 3.432 369 3HD2 LEU 43 HD23 LEU 43 -14.816 -4.945 4.341 370 H THR 44 HN THR 44 -13.866 -3.506 0.178 371 HA THR 44 HA THR 44 -12.841 -5.242 -1.941 372 HB THR 44 HB THR 44 -13.524 -2.329 -2.413 373 HG1 THR 44 HG1 THR 44 -15.067 -4.554 -2.508 374 1HG2 THR 44 HG21 THR 44 -12.607 -4.508 -4.300 375 2HG2 THR 44 HG22 THR 44 -11.647 -3.127 -3.767 376 3HG2 THR 44 HG23 THR 44 -13.074 -2.875 -4.773 377 H GLN 45 HN GLN 45 -10.654 -4.964 -2.363 378 HA GLN 45 HA GLN 45 -9.290 -2.897 -0.787 379 1HB GLN 45 HB2 GLN 45 -7.244 -4.466 -1.112 380 2HB GLN 45 HB1 GLN 45 -8.447 -4.873 0.100 381 1HG GLN 45 HG2 GLN 45 -8.242 -6.904 -0.850 382 2HG GLN 45 HG1 GLN 45 -9.459 -6.246 -1.937 383 1HE2 GLN 45 HE21 GLN 45 -6.096 -5.284 -1.951 384 2HE2 GLN 45 HE22 GLN 45 -5.709 -5.976 -3.484 385 H GLU 46 HN GLU 46 -8.925 -1.240 -2.076 386 HA GLU 46 HA GLU 46 -8.222 -1.785 -4.869 387 1HB GLU 46 HB2 GLU 46 -8.931 0.617 -5.234 388 2HB GLU 46 HB1 GLU 46 -10.205 -0.513 -4.802 389 1HG GLU 46 HG2 GLU 46 -10.073 0.284 -2.469 390 2HG GLU 46 HG1 GLU 46 -8.874 1.474 -2.975 391 H LEU 47 HN LEU 47 -6.150 -1.730 -5.241 392 HA LEU 47 HA LEU 47 -4.439 0.122 -3.739 393 1HB LEU 47 HB2 LEU 47 -3.821 -2.288 -3.878 394 2HB LEU 47 HB1 LEU 47 -3.687 -2.127 -5.618 395 HG LEU 47 HG LEU 47 -1.856 -0.470 -5.273 396 1HD1 LEU 47 HD11 LEU 47 -0.799 -0.324 -3.087 397 2HD1 LEU 47 HD12 LEU 47 -2.068 -1.334 -2.396 398 3HD1 LEU 47 HD13 LEU 47 -2.461 0.265 -3.027 399 1HD2 LEU 47 HD21 LEU 47 -0.174 -2.139 -4.616 400 2HD2 LEU 47 HD22 LEU 47 -1.341 -2.780 -5.773 401 3HD2 LEU 47 HD23 LEU 47 -1.468 -3.203 -4.065 402 H ASN 48 HN ASN 48 -3.108 1.634 -4.808 403 HA ASN 48 HA ASN 48 -4.200 2.702 -7.212 404 1HB ASN 48 HB2 ASN 48 -3.142 4.148 -5.499 405 2HB ASN 48 HB1 ASN 48 -1.583 3.414 -5.861 406 1HD2 ASN 48 HD21 ASN 48 -4.067 5.568 -6.984 407 2HD2 ASN 48 HD22 ASN 48 -3.163 6.267 -8.281 408 H ASN 49 HN ASN 49 -4.073 1.107 -8.732 409 HA ASN 49 HA ASN 49 -1.574 1.005 -10.177 410 1HB ASN 49 HB2 ASN 49 -1.341 -0.889 -8.592 411 2HB ASN 49 HB1 ASN 49 -2.850 -1.564 -9.197 412 1HD2 ASN 49 HD21 ASN 49 0.497 -0.966 -9.868 413 2HD2 ASN 49 HD22 ASN 49 0.618 -1.996 -11.255 414 H GLN 50 HN GLN 50 -4.901 -0.125 -9.838 415 HA GLN 50 HA GLN 50 -5.185 -0.364 -12.729 416 1HB GLN 50 HB2 GLN 50 -7.204 -0.866 -10.531 417 2HB GLN 50 HB1 GLN 50 -7.419 -1.247 -12.233 418 1HG GLN 50 HG2 GLN 50 -5.505 -2.810 -12.079 419 2HG GLN 50 HG1 GLN 50 -5.430 -2.487 -10.346 420 1HE2 GLN 50 HE21 GLN 50 -8.412 -2.664 -12.151 421 2HE2 GLN 50 HE22 GLN 50 -8.984 -4.130 -11.441 422 H LYS 51 HN LYS 51 -5.075 2.169 -10.835 423 HA LYS 51 HA LYS 51 -6.970 3.684 -12.443 424 1HB LYS 51 HB2 LYS 51 -8.210 3.161 -10.375 425 2HB LYS 51 HB1 LYS 51 -6.902 3.842 -9.417 426 1HG LYS 51 HG2 LYS 51 -7.316 6.019 -10.640 427 2HG LYS 51 HG1 LYS 51 -8.793 5.280 -11.257 428 1HD LYS 51 HD2 LYS 51 -9.585 4.929 -8.975 429 2HD LYS 51 HD1 LYS 51 -8.093 5.624 -8.340 430 1HE LYS 51 HE2 LYS 51 -10.208 7.033 -9.969 431 2HE LYS 51 HE1 LYS 51 -9.844 7.282 -8.263 432 1HZ LYS 51 HZ1 LYS 51 -8.783 9.033 -9.344 433 2HZ LYS 51 HZ2 LYS 51 -8.246 8.059 -10.617 434 3HZ LYS 51 HZ3 LYS 51 -7.528 7.917 -9.090 435 H ASP 52 HN ASP 52 -6.146 5.591 -13.052 436 HA ASP 52 HA ASP 52 -3.864 6.678 -11.540 437 1HB ASP 52 HB2 ASP 52 -2.704 7.255 -13.529 438 2HB ASP 52 HB1 ASP 52 -3.213 5.587 -13.756 439 H ASP 53 HN ASP 53 -3.538 9.080 -12.291 440 HA ASP 53 HA ASP 53 -6.204 10.324 -12.458 441 1HB ASP 53 HB2 ASP 53 -5.156 10.368 -10.165 442 2HB ASP 53 HB1 ASP 53 -3.870 11.361 -10.839 443 HA PRO 54 HA PRO 54 -3.497 11.964 -15.769 444 1HB PRO 54 HB2 PRO 54 -4.881 11.139 -17.874 445 2HB PRO 54 HB1 PRO 54 -3.995 9.981 -16.875 446 1HG PRO 54 HG2 PRO 54 -6.916 10.517 -17.014 447 2HG PRO 54 HG1 PRO 54 -6.064 9.000 -16.677 448 1HD PRO 54 HD2 PRO 54 -7.180 10.819 -14.786 449 2HD PRO 54 HD1 PRO 54 -6.211 9.372 -14.448 450 H ILE 55 HN ILE 55 -4.950 13.864 -14.459 451 HA ILE 55 HA ILE 55 -5.408 15.741 -16.518 452 HB ILE 55 HB ILE 55 -7.507 14.382 -16.711 453 1HG1 ILE 55 HG12 ILE 55 -9.013 16.328 -16.848 454 2HG1 ILE 55 HG11 ILE 55 -7.863 17.274 -15.910 455 1HG2 ILE 55 HG21 ILE 55 -9.273 14.681 -15.038 456 2HG2 ILE 55 HG22 ILE 55 -8.135 15.542 -14.002 457 3HG2 ILE 55 HG23 ILE 55 -7.870 13.840 -14.380 458 1HD1 ILE 55 HD11 ILE 55 -7.707 17.769 -18.281 459 2HD1 ILE 55 HD12 ILE 55 -7.351 16.076 -18.619 460 3HD1 ILE 55 HD13 ILE 55 -6.214 17.046 -17.681 461 H ASN 56 HN ASN 56 -3.865 15.537 -14.213 462 HA ASN 56 HA ASN 56 -4.662 17.815 -12.647 463 1HB ASN 56 HB2 ASN 56 -5.975 16.160 -11.500 464 2HB ASN 56 HB1 ASN 56 -4.627 15.035 -11.458 465 1HD2 ASN 56 HD21 ASN 56 -4.624 14.767 -9.303 466 2HD2 ASN 56 HD22 ASN 56 -4.156 16.007 -8.178 467 H TYR 57 HN TYR 57 -2.685 18.542 -13.553 468 HA TYR 57 HA TYR 57 -0.322 17.642 -12.093 469 1HB TYR 57 HB2 TYR 57 -0.344 17.987 -15.107 470 2HB TYR 57 HB1 TYR 57 1.047 17.555 -14.118 471 HD1 TYR 57 HD1 TYR 57 1.182 15.309 -13.093 472 HD2 TYR 57 HD2 TYR 57 -1.976 16.353 -15.741 473 HE1 TYR 57 HE1 TYR 57 0.632 12.928 -13.369 474 HE2 TYR 57 HE2 TYR 57 -2.538 13.978 -16.028 475 HH TYR 57 HH TYR 57 -1.369 11.570 -13.995 476 H THR 58 HN THR 58 1.303 19.261 -11.932 477 HA THR 58 HA THR 58 0.339 21.880 -11.681 478 HB THR 58 HB THR 58 3.237 21.115 -11.906 479 HG1 THR 58 HG1 THR 58 2.680 21.163 -9.390 480 1HG2 THR 58 HG21 THR 58 2.784 23.520 -11.850 481 2HG2 THR 58 HG22 THR 58 3.561 22.992 -10.358 482 3HG2 THR 58 HG23 THR 58 1.827 23.312 -10.384 483 H GLU 59 HN GLU 59 0.374 23.662 -12.956 484 HA GLU 59 HA GLU 59 0.618 23.401 -15.728 485 1HB GLU 59 HB2 GLU 59 0.469 25.818 -15.846 486 2HB GLU 59 HB1 GLU 59 -0.646 25.223 -14.627 487 1HG GLU 59 HG2 GLU 59 0.203 26.768 -13.283 488 2HG GLU 59 HG1 GLU 59 1.646 25.758 -13.190 489 H SER 60 HN SER 60 2.906 24.399 -13.263 490 HA SER 60 HA SER 60 5.006 25.060 -15.038 491 1HB SER 60 HB2 SER 60 5.182 24.187 -12.146 492 2HB SER 60 HB1 SER 60 6.407 25.080 -13.052 493 HG SER 60 HG SER 60 4.273 26.495 -13.364 494 H GLU 61 HN GLU 61 3.747 22.033 -13.844 495 HA GLU 61 HA GLU 61 6.114 20.554 -14.654 496 1HB GLU 61 HB2 GLU 61 3.313 19.621 -13.993 497 2HB GLU 61 HB1 GLU 61 4.653 18.548 -14.361 498 1HG GLU 61 HG2 GLU 61 4.468 20.437 -12.032 499 2HG GLU 61 HG1 GLU 61 4.306 18.683 -11.982 500 H LEU 62 HN LEU 62 2.886 21.189 -15.907 501 HA LEU 62 HA LEU 62 3.126 19.613 -18.241 502 1HB LEU 62 HB2 LEU 62 1.287 21.905 -17.567 503 2HB LEU 62 HB1 LEU 62 1.113 20.885 -18.983 504 HG LEU 62 HG LEU 62 1.034 19.835 -16.154 505 1HD1 LEU 62 HD11 LEU 62 -0.833 21.356 -16.525 506 2HD1 LEU 62 HD12 LEU 62 -1.384 19.682 -16.447 507 3HD1 LEU 62 HD13 LEU 62 -1.251 20.495 -18.008 508 1HD2 LEU 62 HD21 LEU 62 1.688 18.207 -17.855 509 2HD2 LEU 62 HD22 LEU 62 0.244 18.599 -18.789 510 3HD2 LEU 62 HD23 LEU 62 0.090 17.849 -17.201 511 H LYS 63 HN LYS 63 4.265 22.760 -17.462 512 HA LYS 63 HA LYS 63 4.556 23.805 -20.078 513 1HB LYS 63 HB2 LYS 63 5.467 24.479 -17.390 514 2HB LYS 63 HB1 LYS 63 6.688 24.817 -18.606 515 1HG LYS 63 HG2 LYS 63 5.320 26.772 -18.163 516 2HG LYS 63 HG1 LYS 63 5.108 26.216 -19.822 517 1HD LYS 63 HD2 LYS 63 2.984 25.304 -19.346 518 2HD LYS 63 HD1 LYS 63 3.232 25.437 -17.603 519 1HE LYS 63 HE2 LYS 63 2.957 27.734 -19.541 520 2HE LYS 63 HE1 LYS 63 1.711 27.167 -18.431 521 1HZ LYS 63 HZ1 LYS 63 2.755 29.043 -17.458 522 2HZ LYS 63 HZ2 LYS 63 4.308 28.419 -17.730 523 3HZ LYS 63 HZ3 LYS 63 3.285 27.685 -16.587 524 H GLY 64 HN GLY 64 6.460 21.601 -18.136 525 1HA GLY 64 HA2 GLY 64 8.619 21.591 -20.111 526 2HA GLY 64 HA1 GLY 64 8.635 20.781 -18.550 527 H MET 65 HN MET 65 5.865 19.749 -19.181 528 HA MET 65 HA MET 65 6.687 17.279 -20.360 529 1HB MET 65 HB2 MET 65 3.936 18.298 -19.618 530 2HB MET 65 HB1 MET 65 4.278 16.662 -20.164 531 1HG MET 65 HG2 MET 65 5.731 16.315 -18.235 532 2HG MET 65 HG1 MET 65 5.397 17.958 -17.688 533 1HE MET 65 HE1 MET 65 3.033 15.191 -19.235 534 2HE MET 65 HE2 MET 65 2.340 14.502 -17.767 535 3HE MET 65 HE3 MET 65 4.063 14.321 -18.100 536 H ASN 66 HN ASN 66 6.322 16.480 -22.346 537 HA ASN 66 HA ASN 66 6.184 18.397 -24.442 538 1HB ASN 66 HB2 ASN 66 6.417 15.402 -24.368 539 2HB ASN 66 HB1 ASN 66 6.221 16.261 -25.891 540 1HD2 ASN 66 HD21 ASN 66 7.856 17.596 -26.619 541 2HD2 ASN 66 HD22 ASN 66 9.472 17.504 -25.994 542 H LYS 67 HN LYS 67 4.856 18.031 -26.414 543 HA LYS 67 HA LYS 67 2.137 18.367 -25.824 544 1HB LYS 67 HB2 LYS 67 3.085 19.341 -27.802 545 2HB LYS 67 HB1 LYS 67 3.569 17.768 -28.415 546 1HG LYS 67 HG2 LYS 67 0.689 18.066 -27.917 547 2HG LYS 67 HG1 LYS 67 1.345 19.107 -29.183 548 1HD LYS 67 HD2 LYS 67 1.718 16.116 -29.035 549 2HD LYS 67 HD1 LYS 67 0.532 16.939 -30.051 550 1HE LYS 67 HE2 LYS 67 2.338 18.098 -31.220 551 2HE LYS 67 HE1 LYS 67 3.526 17.286 -30.200 552 1HZ LYS 67 HZ1 LYS 67 1.628 15.872 -31.997 553 2HZ LYS 67 HZ2 LYS 67 2.916 15.187 -31.132 554 3HZ LYS 67 HZ3 LYS 67 3.227 16.255 -32.413 555 H ALA 68 HN ALA 68 3.930 15.563 -27.019 556 HA ALA 68 HA ALA 68 1.833 13.779 -27.405 557 1HB ALA 68 HB1 ALA 68 4.147 13.302 -28.040 558 2HB ALA 68 HB2 ALA 68 3.473 12.005 -27.052 559 3HB ALA 68 HB3 ALA 68 4.589 13.170 -26.338 560 H GLU 69 HN GLU 69 3.478 14.732 -24.440 561 HA GLU 69 HA GLU 69 2.249 12.834 -22.740 562 1HB GLU 69 HB2 GLU 69 3.414 15.550 -22.098 563 2HB GLU 69 HB1 GLU 69 2.994 14.320 -20.911 564 1HG GLU 69 HG2 GLU 69 5.051 14.005 -23.085 565 2HG GLU 69 HG1 GLU 69 5.393 14.380 -21.397 566 H HIS 70 HN HIS 70 1.533 16.276 -23.357 567 HA HIS 70 HA HIS 70 -0.780 16.548 -21.878 568 1HB HIS 70 HB2 HIS 70 -0.054 17.753 -24.549 569 2HB HIS 70 HB1 HIS 70 -1.486 18.223 -23.647 570 HD1 HIS 70 HD1 HIS 70 -1.154 19.700 -21.581 571 HD2 HIS 70 HD2 HIS 70 2.389 18.670 -23.487 572 HE1 HIS 70 HE1 HIS 70 0.590 21.228 -20.631 573 HE2 HIS 70 HE2 HIS 70 2.762 20.461 -21.657 574 H GLU 71 HN GLU 71 -0.433 15.318 -25.192 575 HA GLU 71 HA GLU 71 -3.144 14.795 -25.659 576 1HB GLU 71 HB2 GLU 71 -0.663 13.474 -26.747 577 2HB GLU 71 HB1 GLU 71 -2.284 13.058 -27.287 578 1HG GLU 71 HG2 GLU 71 -2.599 15.460 -27.911 579 2HG GLU 71 HG1 GLU 71 -0.887 15.707 -27.559 580 H SER 72 HN SER 72 -0.595 12.590 -24.503 581 HA SER 72 HA SER 72 -2.123 10.321 -24.111 582 1HB SER 72 HB2 SER 72 0.130 11.283 -22.325 583 2HB SER 72 HB1 SER 72 -0.423 9.618 -22.503 584 HG SER 72 HG SER 72 0.774 11.248 -24.511 585 H ILE 73 HN ILE 73 -1.610 13.036 -21.901 586 HA ILE 73 HA ILE 73 -2.988 12.051 -19.679 587 HB ILE 73 HB ILE 73 -2.533 14.886 -20.622 588 1HG1 ILE 73 HG12 ILE 73 -1.161 13.263 -18.472 589 2HG1 ILE 73 HG11 ILE 73 -0.527 13.523 -20.092 590 1HG2 ILE 73 HG21 ILE 73 -3.053 15.601 -18.338 591 2HG2 ILE 73 HG22 ILE 73 -3.519 13.949 -17.934 592 3HG2 ILE 73 HG23 ILE 73 -4.447 14.859 -19.126 593 1HD1 ILE 73 HD11 ILE 73 -0.413 15.918 -19.662 594 2HD1 ILE 73 HD12 ILE 73 0.532 14.998 -18.491 595 3HD1 ILE 73 HD13 ILE 73 -1.041 15.656 -18.034 596 H ILE 74 HN ILE 74 -4.193 14.381 -22.117 597 HA ILE 74 HA ILE 74 -6.796 14.308 -20.904 598 HB ILE 74 HB ILE 74 -6.233 15.657 -23.528 599 1HG1 ILE 74 HG12 ILE 74 -5.520 16.675 -20.760 600 2HG1 ILE 74 HG11 ILE 74 -4.369 16.234 -22.017 601 1HG2 ILE 74 HG21 ILE 74 -7.973 16.346 -21.153 602 2HG2 ILE 74 HG22 ILE 74 -8.533 15.622 -22.664 603 3HG2 ILE 74 HG23 ILE 74 -7.872 17.258 -22.661 604 1HD1 ILE 74 HD11 ILE 74 -6.379 18.459 -22.248 605 2HD1 ILE 74 HD12 ILE 74 -5.087 18.071 -23.383 606 3HD1 ILE 74 HD13 ILE 74 -4.694 18.664 -21.773 607 H SER 75 HN SER 75 -5.269 12.434 -23.299 608 HA SER 75 HA SER 75 -7.709 11.651 -24.624 609 1HB SER 75 HB2 SER 75 -4.973 10.356 -24.642 610 2HB SER 75 HB1 SER 75 -6.329 9.885 -25.668 611 HG SER 75 HG SER 75 -4.699 12.142 -25.778 612 H ASN 76 HN ASN 76 -5.730 10.493 -21.945 613 HA ASN 76 HA ASN 76 -7.250 8.119 -21.497 614 1HB ASN 76 HB2 ASN 76 -5.241 9.670 -19.927 615 2HB ASN 76 HB1 ASN 76 -6.269 8.536 -19.057 616 1HD2 ASN 76 HD21 ASN 76 -3.735 8.892 -21.399 617 2HD2 ASN 76 HD22 ASN 76 -3.290 7.217 -21.471 618 H LEU 77 HN LEU 77 -7.572 11.459 -20.602 619 HA LEU 77 HA LEU 77 -9.743 11.186 -18.808 620 1HB LEU 77 HB2 LEU 77 -8.462 13.266 -19.048 621 2HB LEU 77 HB1 LEU 77 -9.038 13.445 -20.692 622 HG LEU 77 HG LEU 77 -11.367 13.638 -19.781 623 1HD1 LEU 77 HD11 LEU 77 -11.607 14.195 -17.403 624 2HD1 LEU 77 HD12 LEU 77 -9.906 13.802 -17.150 625 3HD1 LEU 77 HD13 LEU 77 -11.037 12.543 -17.647 626 1HD2 LEU 77 HD21 LEU 77 -11.089 15.951 -19.041 627 2HD2 LEU 77 HD22 LEU 77 -10.082 15.600 -20.445 628 3HD2 LEU 77 HD23 LEU 77 -9.358 15.683 -18.840 629 H GLY 78 HN GLY 78 -9.444 10.879 -22.225 630 1HA GLY 78 HA2 GLY 78 -11.017 9.897 -23.640 631 2HA GLY 78 HA1 GLY 78 -12.255 10.173 -22.424 632 H ARG 79 HN ARG 79 -10.250 12.852 -23.195 633 HA ARG 79 HA ARG 79 -12.528 14.088 -24.577 634 1HB ARG 79 HB2 ARG 79 -10.947 14.969 -22.456 635 2HB ARG 79 HB1 ARG 79 -10.372 15.893 -23.835 636 1HG ARG 79 HG2 ARG 79 -13.304 15.713 -23.312 637 2HG ARG 79 HG1 ARG 79 -12.308 16.791 -22.337 638 1HD ARG 79 HD2 ARG 79 -13.188 18.077 -24.132 639 2HD ARG 79 HD1 ARG 79 -11.479 17.817 -24.464 640 HE ARG 79 HE ARG 79 -12.500 15.858 -25.895 641 1HH1 ARG 79 HH11 ARG 79 -13.684 19.149 -25.560 642 2HH1 ARG 79 HH12 ARG 79 -14.355 19.191 -27.158 643 1HH2 ARG 79 HH21 ARG 79 -13.415 15.911 -27.983 644 2HH2 ARG 79 HH22 ARG 79 -14.209 17.361 -28.535 645 H ASN 80 HN ASN 80 -9.053 13.544 -24.806 646 HA ASN 80 HA ASN 80 -7.580 13.600 -26.527 647 1HB ASN 80 HB2 ASN 80 -10.063 13.736 -28.250 648 2HB ASN 80 HB1 ASN 80 -8.431 13.592 -28.888 649 1HD2 ASN 80 HD21 ASN 80 -11.057 11.987 -27.363 650 2HD2 ASN 80 HD22 ASN 80 -10.405 10.387 -27.435 651 HA PRO 81 HA PRO 81 -7.514 18.081 -26.699 652 1HB PRO 81 HB2 PRO 81 -4.901 18.390 -26.280 653 2HB PRO 81 HB1 PRO 81 -5.986 17.882 -24.981 654 1HG PRO 81 HG2 PRO 81 -4.108 16.251 -26.627 655 2HG PRO 81 HG1 PRO 81 -4.480 16.129 -24.897 656 1HD PRO 81 HD2 PRO 81 -5.567 14.525 -26.896 657 2HD PRO 81 HD1 PRO 81 -6.253 14.751 -25.276 658 H SER 82 HN SER 82 -7.443 16.362 -29.113 659 HA SER 82 HA SER 82 -5.369 17.379 -30.808 660 1HB SER 82 HB2 SER 82 -6.866 16.322 -32.609 661 2HB SER 82 HB1 SER 82 -6.200 15.238 -31.385 662 HG SER 82 HG SER 82 -8.822 15.982 -31.875 663 H ASP 83 HN ASP 83 -8.568 18.326 -29.904 664 HA ASP 83 HA ASP 83 -9.009 20.169 -32.044 665 1HB ASP 83 HB2 ASP 83 -10.880 19.214 -30.769 666 2HB ASP 83 HB1 ASP 83 -10.300 20.010 -29.309 667 H PHE 84 HN PHE 84 -7.534 20.315 -28.888 668 HA PHE 84 HA PHE 84 -7.305 23.192 -28.916 669 1HB PHE 84 HB2 PHE 84 -6.006 21.157 -27.082 670 2HB PHE 84 HB1 PHE 84 -6.010 22.900 -26.842 671 HD1 PHE 84 HD1 PHE 84 -8.071 24.057 -26.208 672 HD2 PHE 84 HD2 PHE 84 -7.918 19.825 -26.562 673 HE1 PHE 84 HE1 PHE 84 -10.180 23.880 -24.949 674 HE2 PHE 84 HE2 PHE 84 -10.025 19.636 -25.303 675 HZ PHE 84 HZ PHE 84 -11.157 21.666 -24.496 676 H LYS 85 HN LYS 85 -5.949 24.071 -30.305 677 HA LYS 85 HA LYS 85 -3.734 22.579 -31.389 678 1HB LYS 85 HB2 LYS 85 -4.714 25.387 -31.916 679 2HB LYS 85 HB1 LYS 85 -3.428 24.592 -32.815 680 1HG LYS 85 HG2 LYS 85 -5.000 22.874 -33.541 681 2HG LYS 85 HG1 LYS 85 -6.290 23.678 -32.647 682 1HD LYS 85 HD2 LYS 85 -6.140 25.614 -34.056 683 2HD LYS 85 HD1 LYS 85 -4.700 24.978 -34.855 684 1HE LYS 85 HE2 LYS 85 -7.465 23.776 -34.945 685 2HE LYS 85 HE1 LYS 85 -6.677 24.669 -36.246 686 1HZ LYS 85 HZ1 LYS 85 -4.969 22.950 -36.330 687 2HZ LYS 85 HZ2 LYS 85 -6.511 22.291 -36.596 688 3HZ LYS 85 HZ3 LYS 85 -5.750 22.089 -35.095 689 H ASN 86 HN ASN 86 -4.208 25.162 -29.106 690 HA ASN 86 HA ASN 86 -1.364 25.788 -29.082 691 1HB ASN 86 HB2 ASN 86 -3.691 27.035 -27.605 692 2HB ASN 86 HB1 ASN 86 -2.022 27.590 -27.493 693 1HD2 ASN 86 HD21 ASN 86 -4.433 28.960 -28.447 694 2HD2 ASN 86 HD22 ASN 86 -4.081 29.467 -30.063 695 H ALA 87 HN ALA 87 -0.016 25.417 -27.386 696 HA ALA 87 HA ALA 87 -0.520 23.199 -25.726 697 1HB ALA 87 HB1 ALA 87 1.603 23.746 -24.655 698 2HB ALA 87 HB2 ALA 87 1.596 25.329 -25.432 699 3HB ALA 87 HB3 ALA 87 1.735 23.868 -26.411 700 H ASP 88 HN ASP 88 -0.700 26.651 -25.227 701 HA ASP 88 HA ASP 88 -1.075 26.724 -22.461 702 1HB ASP 88 HB2 ASP 88 -2.156 28.594 -24.576 703 2HB ASP 88 HB1 ASP 88 -2.118 28.939 -22.850 704 H GLU 89 HN GLU 89 -3.398 26.270 -25.078 705 HA GLU 89 HA GLU 89 -5.724 26.397 -23.476 706 1HB GLU 89 HB2 GLU 89 -5.341 24.800 -26.013 707 2HB GLU 89 HB1 GLU 89 -6.868 25.350 -25.335 708 1HG GLU 89 HG2 GLU 89 -4.689 27.038 -26.538 709 2HG GLU 89 HG1 GLU 89 -6.310 26.757 -27.172 710 H ARG 90 HN ARG 90 -3.500 23.852 -24.333 711 HA ARG 90 HA ARG 90 -4.928 21.716 -23.113 712 1HB ARG 90 HB2 ARG 90 -1.984 21.997 -23.749 713 2HB ARG 90 HB1 ARG 90 -2.779 20.500 -23.281 714 1HG ARG 90 HG2 ARG 90 -4.048 20.441 -25.281 715 2HG ARG 90 HG1 ARG 90 -3.573 22.088 -25.705 716 1HD ARG 90 HD2 ARG 90 -1.282 21.385 -26.018 717 2HD ARG 90 HD1 ARG 90 -1.675 19.756 -25.474 718 HE ARG 90 HE ARG 90 -3.234 19.768 -27.512 719 1HH1 ARG 90 HH11 ARG 90 -0.215 21.553 -27.404 720 2HH1 ARG 90 HH12 ARG 90 0.080 21.400 -29.103 721 1HH2 ARG 90 HH21 ARG 90 -2.841 19.566 -29.745 722 2HH2 ARG 90 HH22 ARG 90 -1.399 20.246 -30.435 723 H ILE 91 HN ILE 91 -2.487 24.017 -22.027 724 HA ILE 91 HA ILE 91 -1.995 22.959 -19.460 725 HB ILE 91 HB ILE 91 -2.092 25.904 -20.167 726 1HG1 ILE 91 HG12 ILE 91 -0.639 24.724 -21.760 727 2HG1 ILE 91 HG11 ILE 91 0.293 25.762 -20.689 728 1HG2 ILE 91 HG21 ILE 91 -0.457 26.151 -18.363 729 2HG2 ILE 91 HG22 ILE 91 -0.567 24.423 -18.029 730 3HG2 ILE 91 HG23 ILE 91 -1.974 25.461 -17.786 731 1HD1 ILE 91 HD11 ILE 91 -0.003 22.782 -20.433 732 2HD1 ILE 91 HD12 ILE 91 0.953 23.825 -19.378 733 3HD1 ILE 91 HD13 ILE 91 1.396 23.641 -21.076 734 H ALA 92 HN ALA 92 -4.252 25.445 -20.568 735 HA ALA 92 HA ALA 92 -5.395 26.062 -18.106 736 1HB ALA 92 HB1 ALA 92 -6.656 26.263 -20.840 737 2HB ALA 92 HB2 ALA 92 -5.612 27.471 -20.092 738 3HB ALA 92 HB3 ALA 92 -7.187 27.108 -19.387 739 H TYR 93 HN TYR 93 -6.326 23.615 -20.494 740 HA TYR 93 HA TYR 93 -8.808 22.985 -19.284 741 1HB TYR 93 HB2 TYR 93 -8.058 22.434 -21.668 742 2HB TYR 93 HB1 TYR 93 -7.174 21.081 -20.966 743 HD1 TYR 93 HD1 TYR 93 -10.546 22.520 -21.436 744 HD2 TYR 93 HD2 TYR 93 -8.294 19.073 -20.362 745 HE1 TYR 93 HE1 TYR 93 -12.591 21.164 -21.526 746 HE2 TYR 93 HE2 TYR 93 -10.335 17.706 -20.447 747 HH TYR 93 HH TYR 93 -12.823 18.082 -20.222 748 H ILE 94 HN ILE 94 -5.586 21.472 -19.055 749 HA ILE 94 HA ILE 94 -6.411 19.388 -17.319 750 HB ILE 94 HB ILE 94 -3.641 20.581 -17.603 751 1HG1 ILE 94 HG12 ILE 94 -4.877 18.181 -18.985 752 2HG1 ILE 94 HG11 ILE 94 -4.586 19.742 -19.744 753 1HG2 ILE 94 HG21 ILE 94 -3.877 19.272 -15.567 754 2HG2 ILE 94 HG22 ILE 94 -2.871 18.410 -16.732 755 3HG2 ILE 94 HG23 ILE 94 -4.550 17.926 -16.487 756 1HD1 ILE 94 HD11 ILE 94 -2.174 19.443 -19.416 757 2HD1 ILE 94 HD12 ILE 94 -2.870 18.131 -20.367 758 3HD1 ILE 94 HD13 ILE 94 -2.476 17.877 -18.666 759 H LEU 95 HN LEU 95 -5.071 22.613 -16.768 760 HA LEU 95 HA LEU 95 -4.951 22.421 -13.940 761 1HB LEU 95 HB2 LEU 95 -4.816 24.622 -15.937 762 2HB LEU 95 HB1 LEU 95 -5.166 25.059 -14.276 763 HG LEU 95 HG LEU 95 -2.762 25.244 -14.872 764 1HD1 LEU 95 HD11 LEU 95 -1.915 24.070 -12.886 765 2HD1 LEU 95 HD12 LEU 95 -3.451 23.215 -12.762 766 3HD1 LEU 95 HD13 LEU 95 -3.400 24.963 -12.562 767 1HD2 LEU 95 HD21 LEU 95 -1.431 23.209 -15.108 768 2HD2 LEU 95 HD22 LEU 95 -2.603 23.364 -16.417 769 3HD2 LEU 95 HD23 LEU 95 -2.903 22.239 -15.091 770 H LYS 96 HN LYS 96 -7.512 23.184 -16.175 771 HA LYS 96 HA LYS 96 -9.202 24.483 -14.284 772 1HB LYS 96 HB2 LYS 96 -9.291 24.644 -16.849 773 2HB LYS 96 HB1 LYS 96 -10.173 23.123 -16.789 774 1HG LYS 96 HG2 LYS 96 -11.650 25.090 -16.924 775 2HG LYS 96 HG1 LYS 96 -11.914 24.130 -15.464 776 1HD LYS 96 HD2 LYS 96 -10.511 25.691 -14.195 777 2HD LYS 96 HD1 LYS 96 -10.273 26.651 -15.656 778 1HE LYS 96 HE2 LYS 96 -12.568 27.267 -15.725 779 2HE LYS 96 HE1 LYS 96 -12.986 26.086 -14.482 780 1HZ LYS 96 HZ1 LYS 96 -11.889 27.351 -12.836 781 2HZ LYS 96 HZ2 LYS 96 -12.816 28.463 -13.728 782 3HZ LYS 96 HZ3 LYS 96 -11.146 28.360 -13.981 783 H GLN 97 HN GLN 97 -8.472 21.208 -14.956 784 HA GLN 97 HA GLN 97 -10.878 20.192 -13.714 785 1HB GLN 97 HB2 GLN 97 -8.726 19.084 -15.269 786 2HB GLN 97 HB1 GLN 97 -8.919 18.162 -13.782 787 1HG GLN 97 HG2 GLN 97 -10.254 17.217 -15.573 788 2HG GLN 97 HG1 GLN 97 -11.279 17.827 -14.276 789 1HE2 GLN 97 HE21 GLN 97 -9.699 19.841 -16.688 790 2HE2 GLN 97 HE22 GLN 97 -11.152 20.344 -17.476 791 H ILE 98 HN ILE 98 -7.589 20.940 -12.846 792 HA ILE 98 HA ILE 98 -7.678 19.854 -10.211 793 HB ILE 98 HB ILE 98 -5.998 22.169 -11.195 794 1HG1 ILE 98 HG12 ILE 98 -5.410 19.199 -11.247 795 2HG1 ILE 98 HG11 ILE 98 -5.711 20.220 -12.652 796 1HG2 ILE 98 HG21 ILE 98 -4.464 21.499 -9.409 797 2HG2 ILE 98 HG22 ILE 98 -5.584 20.227 -8.923 798 3HG2 ILE 98 HG23 ILE 98 -6.052 21.920 -8.768 799 1HD1 ILE 98 HD11 ILE 98 -3.686 21.469 -12.197 800 2HD1 ILE 98 HD12 ILE 98 -3.338 19.748 -12.338 801 3HD1 ILE 98 HD13 ILE 98 -3.401 20.509 -10.748 802 H ASP 99 HN ASP 99 -8.472 22.913 -11.701 803 HA ASP 99 HA ASP 99 -9.079 24.418 -9.401 804 1HB ASP 99 HB2 ASP 99 -8.770 25.406 -11.630 805 2HB ASP 99 HB1 ASP 99 -10.222 24.596 -12.202 806 H ASN 100 HN ASN 100 -10.785 21.925 -11.072 807 HA ASN 100 HA ASN 100 -13.335 22.458 -9.800 808 1HB ASN 100 HB2 ASN 100 -13.139 21.502 -12.113 809 2HB ASN 100 HB1 ASN 100 -12.464 20.040 -11.404 810 1HD2 ASN 100 HD21 ASN 100 -14.094 18.718 -12.121 811 2HD2 ASN 100 HD22 ASN 100 -15.704 18.787 -11.492 812 H LYS 101 HN LYS 101 -10.452 20.798 -9.080 813 HA LYS 101 HA LYS 101 -11.726 19.000 -7.155 814 1HB LYS 101 HB2 LYS 101 -8.810 19.292 -7.921 815 2HB LYS 101 HB1 LYS 101 -9.458 18.084 -6.824 816 1HG LYS 101 HG2 LYS 101 -10.688 17.052 -8.624 817 2HG LYS 101 HG1 LYS 101 -10.166 18.318 -9.739 818 1HD LYS 101 HD2 LYS 101 -7.817 17.637 -9.337 819 2HD LYS 101 HD1 LYS 101 -8.401 16.315 -8.329 820 1HE LYS 101 HE2 LYS 101 -9.035 16.702 -11.251 821 2HE LYS 101 HE1 LYS 101 -7.835 15.583 -10.607 822 1HZ LYS 101 HZ1 LYS 101 -9.770 14.342 -11.029 823 2HZ LYS 101 HZ2 LYS 101 -10.779 15.479 -10.275 824 3HZ LYS 101 HZ3 LYS 101 -9.714 14.536 -9.344 825 H GLY 102 HN GLY 102 -12.381 20.302 -5.459 826 1HA GLY 102 HA2 GLY 102 -10.940 20.753 -3.298 827 2HA GLY 102 HA1 GLY 102 -10.399 22.107 -4.276 828 H GLU 103 HN GLU 103 -13.658 20.744 -4.089 829 HA GLU 103 HA GLU 103 -15.608 21.480 -3.187 830 1HB GLU 103 HB2 GLU 103 -13.771 23.273 -1.601 831 2HB GLU 103 HB1 GLU 103 -15.507 23.186 -1.343 832 1HG GLU 103 HG2 GLU 103 -15.384 20.954 -0.599 833 2HG GLU 103 HG1 GLU 103 -13.728 20.776 -1.177 834 H LEU 104 HN LEU 104 -13.813 23.179 -5.266 835 HA LEU 104 HA LEU 104 -13.963 25.105 -6.471 836 1HB LEU 104 HB2 LEU 104 -16.887 24.518 -6.006 837 2HB LEU 104 HB1 LEU 104 -16.326 25.789 -7.072 838 HG LEU 104 HG LEU 104 -15.069 23.945 -8.336 839 1HD1 LEU 104 HD11 LEU 104 -15.999 21.700 -8.148 840 2HD1 LEU 104 HD12 LEU 104 -17.000 22.220 -6.791 841 3HD1 LEU 104 HD13 LEU 104 -15.243 22.204 -6.636 842 1HD2 LEU 104 HD21 LEU 104 -18.082 23.967 -8.321 843 2HD2 LEU 104 HD22 LEU 104 -17.061 23.357 -9.624 844 3HD2 LEU 104 HD23 LEU 104 -17.036 25.072 -9.211 845 H GLU 105 HN GLU 105 -13.037 25.880 -4.274 846 HA GLU 105 HA GLU 105 -14.770 27.357 -2.566 847 1HB GLU 105 HB2 GLU 105 -12.681 28.058 -1.432 848 2HB GLU 105 HB1 GLU 105 -12.822 26.317 -1.626 849 1HG GLU 105 HG2 GLU 105 -11.219 26.280 -3.356 850 2HG GLU 105 HG1 GLU 105 -11.263 28.035 -3.527 851 H HIS 106 HN HIS 106 -14.546 29.565 -2.012 852 HA HIS 106 HA HIS 106 -13.178 31.413 -3.699 853 1HB HIS 106 HB2 HIS 106 -15.387 32.671 -4.249 854 2HB HIS 106 HB1 HIS 106 -14.914 31.312 -5.258 855 HD1 HIS 106 HD1 HIS 106 -16.744 29.728 -5.737 856 HD2 HIS 106 HD2 HIS 106 -17.373 31.768 -2.166 857 HE1 HIS 106 HE1 HIS 106 -18.979 28.946 -4.892 858 HE2 HIS 106 HE2 HIS 106 -19.264 30.075 -2.653 859 H HIS 107 HN HIS 107 -12.286 31.887 -1.671 860 HA HIS 107 HA HIS 107 -14.069 32.729 0.470 861 1HB HIS 107 HB2 HIS 107 -11.079 32.295 0.378 862 2HB HIS 107 HB1 HIS 107 -11.929 32.900 1.795 863 HD1 HIS 107 HD1 HIS 107 -13.300 31.222 3.171 864 HD2 HIS 107 HD2 HIS 107 -11.459 29.560 -0.173 865 HE1 HIS 107 HE1 HIS 107 -13.509 28.726 3.445 866 HE2 HIS 107 HE2 HIS 107 -12.206 27.751 1.519 867 H HIS 108 HN HIS 108 -14.180 34.751 1.325 868 HA HIS 108 HA HIS 108 -12.386 36.829 0.374 869 1HB HIS 108 HB2 HIS 108 -14.232 36.822 -1.281 870 2HB HIS 108 HB1 HIS 108 -15.387 37.068 0.024 871 HD1 HIS 108 HD1 HIS 108 -12.427 38.829 -1.574 872 HD2 HIS 108 HD2 HIS 108 -15.862 39.689 0.612 873 HE1 HIS 108 HE1 HIS 108 -12.565 41.346 -1.479 874 HE2 HIS 108 HE2 HIS 108 -14.653 41.845 -0.157 875 H HIS 109 HN HIS 109 -11.721 37.792 2.159 876 HA HIS 109 HA HIS 109 -13.278 37.775 4.592 877 1HB HIS 109 HB2 HIS 109 -10.636 39.059 3.863 878 2HB HIS 109 HB1 HIS 109 -11.364 39.188 5.457 879 HD1 HIS 109 HD1 HIS 109 -10.185 37.690 7.005 880 HD2 HIS 109 HD2 HIS 109 -10.567 35.988 3.230 881 HE1 HIS 109 HE1 HIS 109 -9.110 35.423 7.170 882 HE2 HIS 109 HE2 HIS 109 -9.246 34.454 4.849 883 H HIS 110 HN HIS 110 -13.682 39.882 5.790 884 HA HIS 110 HA HIS 110 -14.954 41.784 4.050 885 1HB HIS 110 HB2 HIS 110 -14.592 41.594 7.025 886 2HB HIS 110 HB1 HIS 110 -15.144 43.101 6.304 887 HD1 HIS 110 HD1 HIS 110 -17.590 43.311 6.184 888 HD2 HIS 110 HD2 HIS 110 -16.389 39.328 6.125 889 HE1 HIS 110 HE1 HIS 110 -19.712 41.963 6.168 890 HE2 HIS 110 HE2 HIS 110 -18.963 39.569 5.929 891 H HIS 111 HN HIS 111 -12.974 42.149 2.829 892 HA HIS 111 HA HIS 111 -11.785 44.634 3.420 893 1HB HIS 111 HB2 HIS 111 -10.482 43.250 5.028 894 2HB HIS 111 HB1 HIS 111 -9.959 42.226 3.698 895 HD1 HIS 111 HD1 HIS 111 -7.948 42.970 2.391 896 HD2 HIS 111 HD2 HIS 111 -9.385 45.917 4.946 897 HE1 HIS 111 HE1 HIS 111 -6.214 44.791 2.370 898 HE2 HIS 111 HE2 HIS 111 -6.990 46.436 4.117 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -6.334 -0.088 -0.167 2 2H MET 1 HT2 MET 1 -5.630 -1.629 -0.115 3 3H MET 1 HT3 MET 1 -4.704 -0.264 0.265 4 HA MET 1 HA MET 1 -5.321 -1.448 2.262 5 1HB MET 1 HB2 MET 1 -6.802 1.172 1.922 6 2HB MET 1 HB1 MET 1 -6.404 0.424 3.462 7 1HG MET 1 HG2 MET 1 -4.022 0.667 2.957 8 2HG MET 1 HG1 MET 1 -4.431 1.428 1.421 9 1HE MET 1 HE1 MET 1 -5.343 3.278 5.554 10 2HE MET 1 HE2 MET 1 -4.455 1.771 5.332 11 3HE MET 1 HE3 MET 1 -6.171 1.849 4.935 12 H PHE 2 HN PHE 2 -7.512 -1.155 3.812 13 HA PHE 2 HA PHE 2 -9.406 -2.909 2.456 14 1HB PHE 2 HB2 PHE 2 -9.365 -2.102 5.372 15 2HB PHE 2 HB1 PHE 2 -10.241 -3.448 4.652 16 HD1 PHE 2 HD1 PHE 2 -8.709 -5.203 3.398 17 HD2 PHE 2 HD2 PHE 2 -7.380 -2.526 6.428 18 HE1 PHE 2 HE1 PHE 2 -6.804 -6.687 3.869 19 HE2 PHE 2 HE2 PHE 2 -5.471 -4.005 6.903 20 HZ PHE 2 HZ PHE 2 -5.182 -6.088 5.624 21 H THR 3 HN THR 3 -11.050 -1.948 1.433 22 HA THR 3 HA THR 3 -12.243 0.425 2.708 23 HB THR 3 HB THR 3 -13.151 0.946 0.413 24 HG1 THR 3 HG1 THR 3 -11.154 -0.450 -0.867 25 1HG2 THR 3 HG21 THR 3 -11.234 2.144 1.334 26 2HG2 THR 3 HG22 THR 3 -11.053 1.915 -0.405 27 3HG2 THR 3 HG23 THR 3 -10.148 0.900 0.717 28 H ALA 4 HN ALA 4 -14.487 0.566 2.827 29 HA ALA 4 HA ALA 4 -15.979 -1.863 2.101 30 1HB ALA 4 HB1 ALA 4 -16.266 -0.333 4.686 31 2HB ALA 4 HB2 ALA 4 -15.533 -1.926 4.505 32 3HB ALA 4 HB3 ALA 4 -17.252 -1.704 4.180 33 H LYS 5 HN LYS 5 -17.866 -1.491 1.084 34 HA LYS 5 HA LYS 5 -18.864 1.281 1.070 35 1HB LYS 5 HB2 LYS 5 -17.894 0.356 -1.117 36 2HB LYS 5 HB1 LYS 5 -19.302 -0.700 -1.158 37 1HG LYS 5 HG2 LYS 5 -20.653 1.467 -0.873 38 2HG LYS 5 HG1 LYS 5 -19.172 2.275 -1.367 39 1HD LYS 5 HD2 LYS 5 -20.853 0.351 -2.948 40 2HD LYS 5 HD1 LYS 5 -20.494 2.040 -3.292 41 1HE LYS 5 HE2 LYS 5 -19.202 0.844 -4.797 42 2HE LYS 5 HE1 LYS 5 -18.088 1.336 -3.530 43 1HZ LYS 5 HZ1 LYS 5 -17.639 -0.913 -4.099 44 2HZ LYS 5 HZ2 LYS 5 -19.269 -1.356 -3.932 45 3HZ LYS 5 HZ3 LYS 5 -18.362 -0.919 -2.569 46 H LEU 6 HN LEU 6 -20.752 1.450 2.100 47 HA LEU 6 HA LEU 6 -22.375 -0.828 2.698 48 1HB LEU 6 HB2 LEU 6 -22.254 1.205 4.135 49 2HB LEU 6 HB1 LEU 6 -23.075 2.108 2.879 50 HG LEU 6 HG LEU 6 -25.034 0.574 3.162 51 1HD1 LEU 6 HD11 LEU 6 -23.526 -0.378 5.578 52 2HD1 LEU 6 HD12 LEU 6 -23.910 -1.335 4.148 53 3HD1 LEU 6 HD13 LEU 6 -25.205 -0.754 5.194 54 1HD2 LEU 6 HD21 LEU 6 -25.782 1.607 5.259 55 2HD2 LEU 6 HD22 LEU 6 -25.047 2.755 4.138 56 3HD2 LEU 6 HD23 LEU 6 -24.132 2.172 5.528 57 H ILE 7 HN ILE 7 -23.958 -1.694 1.496 58 HA ILE 7 HA ILE 7 -24.729 -0.227 -0.943 59 HB ILE 7 HB ILE 7 -25.107 -2.367 -2.027 60 1HG1 ILE 7 HG12 ILE 7 -24.036 -3.692 0.466 61 2HG1 ILE 7 HG11 ILE 7 -25.752 -3.582 0.092 62 1HG2 ILE 7 HG21 ILE 7 -22.412 -2.215 -0.700 63 2HG2 ILE 7 HG22 ILE 7 -22.896 -1.398 -2.185 64 3HG2 ILE 7 HG23 ILE 7 -22.790 -3.158 -2.140 65 1HD1 ILE 7 HD11 ILE 7 -25.432 -4.903 -1.901 66 2HD1 ILE 7 HD12 ILE 7 -24.785 -5.753 -0.497 67 3HD1 ILE 7 HD13 ILE 7 -23.694 -4.946 -1.622 68 H LYS 8 HN LYS 8 -25.845 -1.544 1.981 69 HA LYS 8 HA LYS 8 -28.627 -1.188 1.107 70 1HB LYS 8 HB2 LYS 8 -27.596 -3.440 2.841 71 2HB LYS 8 HB1 LYS 8 -29.288 -3.122 2.490 72 1HG LYS 8 HG2 LYS 8 -28.936 -3.600 0.153 73 2HG LYS 8 HG1 LYS 8 -27.204 -3.801 0.428 74 1HD LYS 8 HD2 LYS 8 -27.687 -5.683 1.935 75 2HD LYS 8 HD1 LYS 8 -29.408 -5.502 1.584 76 1HE LYS 8 HE2 LYS 8 -28.951 -5.928 -0.791 77 2HE LYS 8 HE1 LYS 8 -27.241 -6.140 -0.415 78 1HZ LYS 8 HZ1 LYS 8 -29.499 -7.839 0.494 79 2HZ LYS 8 HZ2 LYS 8 -27.913 -7.986 1.080 80 3HZ LYS 8 HZ3 LYS 8 -28.242 -8.274 -0.556 81 H GLY 9 HN GLY 9 -29.916 -0.128 2.525 82 1HA GLY 9 HA2 GLY 9 -30.520 0.309 4.856 83 2HA GLY 9 HA1 GLY 9 -28.800 0.405 5.212 84 H LYS 10 HN LYS 10 -28.672 1.823 2.468 85 HA LYS 10 HA LYS 10 -28.776 3.888 1.553 86 1HB LYS 10 HB2 LYS 10 -31.160 3.893 2.207 87 2HB LYS 10 HB1 LYS 10 -30.718 4.557 3.772 88 1HG LYS 10 HG2 LYS 10 -29.886 6.573 2.702 89 2HG LYS 10 HG1 LYS 10 -30.278 5.904 1.116 90 1HD LYS 10 HD2 LYS 10 -32.638 5.834 1.709 91 2HD LYS 10 HD1 LYS 10 -32.265 6.434 3.325 92 1HE LYS 10 HE2 LYS 10 -31.858 7.897 0.721 93 2HE LYS 10 HE1 LYS 10 -33.087 8.239 1.938 94 1HZ LYS 10 HZ1 LYS 10 -30.149 8.551 2.220 95 2HZ LYS 10 HZ2 LYS 10 -31.238 8.694 3.513 96 3HZ LYS 10 HZ3 LYS 10 -31.315 9.782 2.209 97 H THR 11 HN THR 11 -28.810 4.136 5.097 98 HA THR 11 HA THR 11 -26.162 5.312 5.049 99 HB THR 11 HB THR 11 -28.466 6.798 6.337 100 HG1 THR 11 HG1 THR 11 -27.470 6.874 3.833 101 1HG2 THR 11 HG21 THR 11 -25.532 7.494 6.127 102 2HG2 THR 11 HG22 THR 11 -26.373 6.997 7.595 103 3HG2 THR 11 HG23 THR 11 -26.787 8.523 6.815 104 H TYR 12 HN TYR 12 -25.054 4.258 6.554 105 HA TYR 12 HA TYR 12 -26.342 3.577 9.094 106 1HB TYR 12 HB2 TYR 12 -26.640 1.572 7.791 107 2HB TYR 12 HB1 TYR 12 -24.981 1.626 7.235 108 HD1 TYR 12 HD1 TYR 12 -26.636 1.695 10.600 109 HD2 TYR 12 HD2 TYR 12 -23.731 -0.060 8.040 110 HE1 TYR 12 HE1 TYR 12 -25.951 0.198 12.428 111 HE2 TYR 12 HE2 TYR 12 -23.018 -1.558 9.871 112 HH TYR 12 HH TYR 12 -23.108 -1.516 12.430 113 H ASN 13 HN ASN 13 -25.085 4.112 10.736 114 HA ASN 13 HA ASN 13 -22.279 4.745 10.264 115 1HB ASN 13 HB2 ASN 13 -24.238 5.354 12.446 116 2HB ASN 13 HB1 ASN 13 -22.515 5.428 12.795 117 1HD2 ASN 13 HD21 ASN 13 -25.137 6.813 10.970 118 2HD2 ASN 13 HD22 ASN 13 -24.318 8.282 10.550 119 H VAL 14 HN VAL 14 -20.693 3.389 10.746 120 HA VAL 14 HA VAL 14 -21.248 1.193 12.624 121 HB VAL 14 HB VAL 14 -18.962 1.430 10.657 122 1HG1 VAL 14 HG11 VAL 14 -18.402 0.074 12.602 123 2HG1 VAL 14 HG12 VAL 14 -18.580 -0.937 11.167 124 3HG1 VAL 14 HG13 VAL 14 -19.868 -0.879 12.370 125 1HG2 VAL 14 HG21 VAL 14 -21.488 -0.201 10.501 126 2HG2 VAL 14 HG22 VAL 14 -20.129 -0.311 9.383 127 3HG2 VAL 14 HG23 VAL 14 -21.068 1.179 9.485 128 H MET 15 HN MET 15 -20.764 1.798 14.601 129 HA MET 15 HA MET 15 -19.683 2.575 16.427 130 1HB MET 15 HB2 MET 15 -17.266 2.408 14.626 131 2HB MET 15 HB1 MET 15 -17.180 2.840 16.327 132 1HG MET 15 HG2 MET 15 -18.195 0.669 16.896 133 2HG MET 15 HG1 MET 15 -18.174 0.240 15.187 134 1HE MET 15 HE1 MET 15 -16.828 -1.991 15.743 135 2HE MET 15 HE2 MET 15 -16.886 -1.565 17.453 136 3HE MET 15 HE3 MET 15 -15.352 -2.018 16.709 137 H GLY 16 HN GLY 16 -17.731 4.295 14.010 138 1HA GLY 16 HA2 GLY 16 -19.071 6.793 14.790 139 2HA GLY 16 HA1 GLY 16 -17.323 6.682 14.935 140 H ILE 17 HN ILE 17 -18.140 4.823 12.340 141 HA ILE 17 HA ILE 17 -17.454 7.019 10.517 142 HB ILE 17 HB ILE 17 -17.265 4.030 10.048 143 1HG1 ILE 17 HG12 ILE 17 -14.760 4.612 9.902 144 2HG1 ILE 17 HG11 ILE 17 -15.185 6.116 10.710 145 1HG2 ILE 17 HG21 ILE 17 -16.074 4.637 7.987 146 2HG2 ILE 17 HG22 ILE 17 -16.412 6.338 8.306 147 3HG2 ILE 17 HG23 ILE 17 -17.738 5.219 7.991 148 1HD1 ILE 17 HD11 ILE 17 -16.034 4.847 12.616 149 2HD1 ILE 17 HD12 ILE 17 -14.342 4.476 12.280 150 3HD1 ILE 17 HD13 ILE 17 -15.606 3.343 11.800 151 H THR 18 HN THR 18 -18.970 7.812 9.224 152 HA THR 18 HA THR 18 -21.572 6.571 9.080 153 HB THR 18 HB THR 18 -20.641 9.035 7.604 154 HG1 THR 18 HG1 THR 18 -21.418 8.660 10.302 155 1HG2 THR 18 HG21 THR 18 -23.366 8.115 8.534 156 2HG2 THR 18 HG22 THR 18 -22.780 8.121 6.870 157 3HG2 THR 18 HG23 THR 18 -23.023 9.644 7.723 158 H PHE 19 HN PHE 19 -21.974 5.005 7.628 159 HA PHE 19 HA PHE 19 -20.645 5.166 5.010 160 1HB PHE 19 HB2 PHE 19 -21.998 2.849 6.401 161 2HB PHE 19 HB1 PHE 19 -21.419 2.792 4.739 162 HD1 PHE 19 HD1 PHE 19 -19.018 2.872 4.260 163 HD2 PHE 19 HD2 PHE 19 -20.504 2.714 8.245 164 HE1 PHE 19 HE1 PHE 19 -16.791 2.201 5.062 165 HE2 PHE 19 HE2 PHE 19 -18.282 2.046 9.053 166 HZ PHE 19 HZ PHE 19 -16.425 1.789 7.462 167 H ARG 20 HN ARG 20 -21.821 5.290 3.159 168 HA ARG 20 HA ARG 20 -24.750 5.352 3.414 169 1HB ARG 20 HB2 ARG 20 -23.029 7.228 1.768 170 2HB ARG 20 HB1 ARG 20 -24.787 7.183 1.741 171 1HG ARG 20 HG2 ARG 20 -24.888 7.882 4.045 172 2HG ARG 20 HG1 ARG 20 -23.132 7.803 4.179 173 1HD ARG 20 HD2 ARG 20 -23.883 10.104 3.901 174 2HD ARG 20 HD1 ARG 20 -22.920 9.582 2.521 175 HE ARG 20 HE ARG 20 -25.072 9.268 1.328 176 1HH1 ARG 20 HH11 ARG 20 -24.914 11.443 4.071 177 2HH1 ARG 20 HH12 ARG 20 -26.280 12.389 3.555 178 1HH2 ARG 20 HH21 ARG 20 -26.826 10.527 0.638 179 2HH2 ARG 20 HH22 ARG 20 -27.358 11.876 1.597 180 H ALA 21 HN ALA 21 -25.898 4.578 1.591 181 HA ALA 21 HA ALA 21 -24.723 2.407 0.277 182 1HB ALA 21 HB1 ALA 21 -27.197 3.933 -0.523 183 2HB ALA 21 HB2 ALA 21 -27.132 2.619 0.651 184 3HB ALA 21 HB3 ALA 21 -26.765 2.305 -1.045 185 H GLY 22 HN GLY 22 -23.137 2.486 -1.189 186 1HA GLY 22 HA2 GLY 22 -22.442 2.889 -3.422 187 2HA GLY 22 HA1 GLY 22 -23.456 4.324 -3.453 188 H VAL 23 HN VAL 23 -21.827 4.252 -0.551 189 HA VAL 23 HA VAL 23 -19.712 5.997 -1.627 190 HB VAL 23 HB VAL 23 -20.954 6.032 1.135 191 1HG1 VAL 23 HG11 VAL 23 -18.848 7.827 -0.069 192 2HG1 VAL 23 HG12 VAL 23 -18.590 6.636 1.205 193 3HG1 VAL 23 HG13 VAL 23 -19.608 8.044 1.507 194 1HG2 VAL 23 HG21 VAL 23 -21.165 7.989 -1.152 195 2HG2 VAL 23 HG22 VAL 23 -21.829 8.227 0.464 196 3HG2 VAL 23 HG23 VAL 23 -22.447 6.932 -0.561 197 H SER 24 HN SER 24 -17.838 5.023 -1.707 198 HA SER 24 HA SER 24 -17.251 2.772 0.051 199 1HB SER 24 HB2 SER 24 -15.662 3.892 -2.260 200 2HB SER 24 HB1 SER 24 -15.426 2.328 -1.485 201 HG SER 24 HG SER 24 -16.949 2.894 -3.526 202 H GLN 25 HN GLN 25 -16.018 2.973 1.819 203 HA GLN 25 HA GLN 25 -14.100 5.196 1.958 204 1HB GLN 25 HB2 GLN 25 -16.113 4.444 4.085 205 2HB GLN 25 HB1 GLN 25 -14.760 5.537 4.350 206 1HG GLN 25 HG2 GLN 25 -15.632 7.104 2.767 207 2HG GLN 25 HG1 GLN 25 -16.895 5.978 2.278 208 1HE2 GLN 25 HE21 GLN 25 -17.376 5.130 5.040 209 2HE2 GLN 25 HE22 GLN 25 -18.276 6.415 5.769 210 H THR 26 HN THR 26 -12.325 4.871 3.333 211 HA THR 26 HA THR 26 -11.463 2.123 3.421 212 HB THR 26 HB THR 26 -10.008 4.567 4.449 213 HG1 THR 26 HG1 THR 26 -10.545 4.915 2.282 214 1HG2 THR 26 HG21 THR 26 -7.997 3.251 3.983 215 2HG2 THR 26 HG22 THR 26 -8.999 1.903 3.445 216 3HG2 THR 26 HG23 THR 26 -9.045 2.417 5.131 217 H VAL 27 HN VAL 27 -11.121 0.852 5.189 218 HA VAL 27 HA VAL 27 -11.684 1.981 7.846 219 HB VAL 27 HB VAL 27 -12.998 0.001 8.458 220 1HG1 VAL 27 HG11 VAL 27 -14.057 1.442 6.035 221 2HG1 VAL 27 HG12 VAL 27 -14.192 1.963 7.715 222 3HG1 VAL 27 HG13 VAL 27 -15.026 0.507 7.172 223 1HG2 VAL 27 HG21 VAL 27 -12.767 -0.750 5.544 224 2HG2 VAL 27 HG22 VAL 27 -13.805 -1.548 6.726 225 3HG2 VAL 27 HG23 VAL 27 -12.051 -1.614 6.904 226 HA PRO 28 HA PRO 28 -8.232 -0.552 9.167 227 1HB PRO 28 HB2 PRO 28 -9.668 -1.103 11.671 228 2HB PRO 28 HB1 PRO 28 -8.160 -0.221 11.418 229 1HG PRO 28 HG2 PRO 28 -10.436 1.026 12.127 230 2HG PRO 28 HG1 PRO 28 -9.236 1.786 11.064 231 1HD PRO 28 HD2 PRO 28 -11.827 0.456 10.356 232 2HD PRO 28 HD1 PRO 28 -11.114 1.950 9.709 233 H LYS 29 HN LYS 29 -7.811 -2.778 10.154 234 HA LYS 29 HA LYS 29 -9.226 -4.687 8.599 235 1HB LYS 29 HB2 LYS 29 -6.774 -4.738 9.451 236 2HB LYS 29 HB1 LYS 29 -7.454 -5.397 10.930 237 1HG LYS 29 HG2 LYS 29 -8.036 -6.655 8.275 238 2HG LYS 29 HG1 LYS 29 -6.549 -7.012 9.148 239 1HD LYS 29 HD2 LYS 29 -7.804 -7.844 11.036 240 2HD LYS 29 HD1 LYS 29 -9.324 -7.362 10.281 241 1HE LYS 29 HE2 LYS 29 -9.021 -8.963 8.517 242 2HE LYS 29 HE1 LYS 29 -7.403 -9.356 9.094 243 1HZ LYS 29 HZ1 LYS 29 -9.095 -11.006 9.723 244 2HZ LYS 29 HZ2 LYS 29 -9.895 -9.833 10.643 245 3HZ LYS 29 HZ3 LYS 29 -8.328 -10.316 11.067 246 H LYS 30 HN LYS 30 -9.409 -3.605 11.910 247 HA LYS 30 HA LYS 30 -11.026 -5.557 13.051 248 1HB LYS 30 HB2 LYS 30 -11.127 -2.566 13.492 249 2HB LYS 30 HB1 LYS 30 -11.841 -3.769 14.553 250 1HG LYS 30 HG2 LYS 30 -8.902 -3.519 13.956 251 2HG LYS 30 HG1 LYS 30 -9.708 -2.892 15.394 252 1HD LYS 30 HD2 LYS 30 -10.451 -5.235 15.887 253 2HD LYS 30 HD1 LYS 30 -9.422 -5.775 14.559 254 1HE LYS 30 HE2 LYS 30 -8.209 -6.037 16.608 255 2HE LYS 30 HE1 LYS 30 -7.488 -4.708 15.701 256 1HZ LYS 30 HZ1 LYS 30 -7.682 -4.067 17.983 257 2HZ LYS 30 HZ2 LYS 30 -9.320 -4.494 18.031 258 3HZ LYS 30 HZ3 LYS 30 -8.820 -3.171 17.101 259 H LEU 31 HN LEU 31 -12.025 -2.573 11.382 260 HA LEU 31 HA LEU 31 -14.791 -3.209 11.473 261 1HB LEU 31 HB2 LEU 31 -13.260 -1.209 9.820 262 2HB LEU 31 HB1 LEU 31 -15.006 -1.352 9.796 263 HG LEU 31 HG LEU 31 -13.307 -0.578 12.167 264 1HD1 LEU 31 HD11 LEU 31 -13.540 1.184 10.507 265 2HD1 LEU 31 HD12 LEU 31 -14.462 1.568 11.961 266 3HD1 LEU 31 HD13 LEU 31 -15.292 0.981 10.518 267 1HD2 LEU 31 HD21 LEU 31 -15.217 -1.920 12.874 268 2HD2 LEU 31 HD22 LEU 31 -16.300 -0.881 11.951 269 3HD2 LEU 31 HD23 LEU 31 -15.426 -0.232 13.338 270 H TYR 32 HN TYR 32 -12.242 -3.720 9.095 271 HA TYR 32 HA TYR 32 -13.802 -4.416 6.898 272 1HB TYR 32 HB2 TYR 32 -11.354 -4.151 6.771 273 2HB TYR 32 HB1 TYR 32 -11.145 -5.623 7.714 274 HD1 TYR 32 HD1 TYR 32 -12.037 -4.250 4.439 275 HD2 TYR 32 HD2 TYR 32 -11.557 -7.812 6.716 276 HE1 TYR 32 HE1 TYR 32 -12.103 -5.577 2.368 277 HE2 TYR 32 HE2 TYR 32 -11.618 -9.146 4.654 278 HH TYR 32 HH TYR 32 -12.576 -8.899 2.342 279 H GLU 33 HN GLU 33 -12.630 -6.459 9.556 280 HA GLU 33 HA GLU 33 -13.861 -8.825 8.550 281 1HB GLU 33 HB2 GLU 33 -11.916 -8.835 10.084 282 2HB GLU 33 HB1 GLU 33 -12.947 -8.204 11.362 283 1HG GLU 33 HG2 GLU 33 -14.296 -10.211 11.308 284 2HG GLU 33 HG1 GLU 33 -13.344 -10.837 9.960 285 H TYR 34 HN TYR 34 -14.734 -6.439 11.010 286 HA TYR 34 HA TYR 34 -17.059 -7.639 11.974 287 1HB TYR 34 HB2 TYR 34 -15.940 -5.662 12.989 288 2HB TYR 34 HB1 TYR 34 -16.522 -4.676 11.654 289 HD1 TYR 34 HD1 TYR 34 -17.533 -6.570 14.649 290 HD2 TYR 34 HD2 TYR 34 -18.787 -3.894 11.587 291 HE1 TYR 34 HE1 TYR 34 -19.608 -6.127 15.892 292 HE2 TYR 34 HE2 TYR 34 -20.864 -3.445 12.821 293 HH TYR 34 HH TYR 34 -22.277 -4.557 14.511 294 H LEU 35 HN LEU 35 -16.534 -5.588 9.152 295 HA LEU 35 HA LEU 35 -19.362 -5.619 8.490 296 1HB LEU 35 HB2 LEU 35 -17.022 -4.418 7.010 297 2HB LEU 35 HB1 LEU 35 -18.714 -4.191 6.602 298 HG LEU 35 HG LEU 35 -17.334 -3.238 9.111 299 1HD1 LEU 35 HD11 LEU 35 -18.519 -1.726 6.791 300 2HD1 LEU 35 HD12 LEU 35 -16.800 -1.924 7.134 301 3HD1 LEU 35 HD13 LEU 35 -17.823 -1.013 8.245 302 1HD2 LEU 35 HD21 LEU 35 -19.610 -3.939 9.609 303 2HD2 LEU 35 HD22 LEU 35 -20.219 -2.964 8.271 304 3HD2 LEU 35 HD23 LEU 35 -19.474 -2.182 9.664 305 H ASN 36 HN ASN 36 -16.681 -7.580 7.934 306 HA ASN 36 HA ASN 36 -17.536 -8.680 5.417 307 1HB ASN 36 HB2 ASN 36 -15.182 -8.847 6.352 308 2HB ASN 36 HB1 ASN 36 -15.802 -10.011 7.517 309 1HD2 ASN 36 HD21 ASN 36 -14.664 -11.748 6.823 310 2HD2 ASN 36 HD22 ASN 36 -14.878 -12.479 5.267 311 H GLU 37 HN GLU 37 -18.263 -9.061 8.755 312 HA GLU 37 HA GLU 37 -19.816 -11.478 8.428 313 1HB GLU 37 HB2 GLU 37 -19.698 -9.538 10.743 314 2HB GLU 37 HB1 GLU 37 -20.402 -11.148 10.777 315 1HG GLU 37 HG2 GLU 37 -18.221 -12.140 10.417 316 2HG GLU 37 HG1 GLU 37 -17.494 -10.538 10.292 317 H ASN 38 HN ASN 38 -20.275 -8.203 7.824 318 HA ASN 38 HA ASN 38 -23.202 -8.438 8.051 319 1HB ASN 38 HB2 ASN 38 -21.359 -6.082 8.330 320 2HB ASN 38 HB1 ASN 38 -23.045 -5.845 7.884 321 1HD2 ASN 38 HD21 ASN 38 -21.542 -5.074 10.294 322 2HD2 ASN 38 HD22 ASN 38 -22.426 -5.740 11.621 323 HA PRO 39 HA PRO 39 -22.568 -8.693 3.606 324 1HB PRO 39 HB2 PRO 39 -25.417 -9.366 3.522 325 2HB PRO 39 HB1 PRO 39 -24.019 -10.339 3.059 326 1HG PRO 39 HG2 PRO 39 -25.483 -10.906 5.245 327 2HG PRO 39 HG1 PRO 39 -23.732 -11.183 5.185 328 1HD PRO 39 HD2 PRO 39 -25.248 -8.913 6.434 329 2HD PRO 39 HD1 PRO 39 -23.872 -9.836 7.078 330 H TYR 40 HN TYR 40 -23.974 -6.245 5.195 331 HA TYR 40 HA TYR 40 -25.560 -5.152 3.016 332 1HB TYR 40 HB2 TYR 40 -24.675 -3.416 5.269 333 2HB TYR 40 HB1 TYR 40 -26.236 -3.496 4.461 334 HD1 TYR 40 HD1 TYR 40 -27.654 -5.632 4.937 335 HD2 TYR 40 HD2 TYR 40 -24.421 -4.312 7.357 336 HE1 TYR 40 HE1 TYR 40 -28.534 -6.940 6.819 337 HE2 TYR 40 HE2 TYR 40 -25.282 -5.608 9.242 338 HH TYR 40 HH TYR 40 -27.810 -7.937 8.856 339 H PHE 41 HN PHE 41 -22.374 -5.520 3.600 340 HA PHE 41 HA PHE 41 -21.644 -2.996 2.274 341 1HB PHE 41 HB2 PHE 41 -20.077 -4.633 4.280 342 2HB PHE 41 HB1 PHE 41 -19.409 -3.279 3.378 343 HD1 PHE 41 HD2 PHE 41 -21.930 -4.226 5.908 344 HD2 PHE 41 HD1 PHE 41 -19.757 -1.064 4.070 345 HE1 PHE 41 HE2 PHE 41 -22.706 -2.680 7.659 346 HE2 PHE 41 HE1 PHE 41 -20.526 0.486 5.816 347 HZ PHE 41 HZ PHE 41 -22.005 -0.319 7.613 348 H ILE 42 HN ILE 42 -20.762 -3.193 0.329 349 HA ILE 42 HA ILE 42 -19.414 -5.698 -0.378 350 HB ILE 42 HB ILE 42 -20.293 -3.320 -2.001 351 1HG1 ILE 42 HG12 ILE 42 -20.748 -6.299 -2.268 352 2HG1 ILE 42 HG11 ILE 42 -21.892 -5.138 -1.608 353 1HG2 ILE 42 HG21 ILE 42 -18.384 -5.472 -2.907 354 2HG2 ILE 42 HG22 ILE 42 -18.032 -3.751 -2.740 355 3HG2 ILE 42 HG23 ILE 42 -19.176 -4.300 -3.964 356 1HD1 ILE 42 HD11 ILE 42 -20.886 -5.203 -4.443 357 2HD1 ILE 42 HD12 ILE 42 -22.041 -4.045 -3.782 358 3HD1 ILE 42 HD13 ILE 42 -22.466 -5.753 -3.885 359 H LEU 43 HN LEU 43 -17.458 -5.790 0.448 360 HA LEU 43 HA LEU 43 -15.911 -3.373 0.876 361 1HB LEU 43 HB2 LEU 43 -15.262 -6.229 1.614 362 2HB LEU 43 HB1 LEU 43 -14.379 -4.807 2.132 363 HG LEU 43 HG LEU 43 -16.707 -4.105 3.146 364 1HD1 LEU 43 HD11 LEU 43 -17.974 -6.026 3.969 365 2HD1 LEU 43 HD12 LEU 43 -16.940 -7.107 3.036 366 3HD1 LEU 43 HD13 LEU 43 -17.980 -5.949 2.207 367 1HD2 LEU 43 HD21 LEU 43 -14.929 -6.204 4.374 368 2HD2 LEU 43 HD22 LEU 43 -16.072 -5.186 5.249 369 3HD2 LEU 43 HD23 LEU 43 -14.686 -4.459 4.437 370 H THR 44 HN THR 44 -13.579 -3.389 0.331 371 HA THR 44 HA THR 44 -12.837 -4.974 -1.993 372 HB THR 44 HB THR 44 -12.857 -1.948 -2.151 373 HG1 THR 44 HG1 THR 44 -14.841 -3.776 -2.607 374 1HG2 THR 44 HG21 THR 44 -12.431 -2.328 -4.543 375 2HG2 THR 44 HG22 THR 44 -12.381 -4.068 -4.255 376 3HG2 THR 44 HG23 THR 44 -11.153 -3.021 -3.544 377 H GLN 45 HN GLN 45 -10.573 -4.881 -2.424 378 HA GLN 45 HA GLN 45 -8.962 -3.371 -0.475 379 1HB GLN 45 HB2 GLN 45 -9.180 -5.976 -0.169 380 2HB GLN 45 HB1 GLN 45 -8.064 -6.041 -1.521 381 1HG GLN 45 HG2 GLN 45 -7.533 -4.594 1.065 382 2HG GLN 45 HG1 GLN 45 -6.984 -6.225 0.697 383 1HE2 GLN 45 HE21 GLN 45 -5.388 -6.515 -0.888 384 2HE2 GLN 45 HE22 GLN 45 -4.338 -5.223 -1.353 385 H GLU 46 HN GLU 46 -8.029 -1.830 -1.678 386 HA GLU 46 HA GLU 46 -7.308 -2.462 -4.450 387 1HB GLU 46 HB2 GLU 46 -7.447 0.238 -3.084 388 2HB GLU 46 HB1 GLU 46 -7.191 -0.046 -4.800 389 1HG GLU 46 HG2 GLU 46 -9.390 0.297 -4.964 390 2HG GLU 46 HG1 GLU 46 -9.522 -1.367 -4.400 391 H LEU 47 HN LEU 47 -5.262 -2.643 -5.067 392 HA LEU 47 HA LEU 47 -3.268 -2.994 -3.128 393 1HB LEU 47 HB2 LEU 47 -2.981 -2.692 -6.115 394 2HB LEU 47 HB1 LEU 47 -1.732 -3.282 -5.035 395 HG LEU 47 HG LEU 47 -4.385 -4.623 -5.566 396 1HD1 LEU 47 HD11 LEU 47 -3.043 -6.336 -6.659 397 2HD1 LEU 47 HD12 LEU 47 -1.584 -5.390 -6.367 398 3HD1 LEU 47 HD13 LEU 47 -2.836 -4.771 -7.443 399 1HD2 LEU 47 HD21 LEU 47 -3.482 -6.469 -4.237 400 2HD2 LEU 47 HD22 LEU 47 -3.640 -4.998 -3.277 401 3HD2 LEU 47 HD23 LEU 47 -2.055 -5.503 -3.863 402 H ASN 48 HN ASN 48 -2.573 -1.387 -1.946 403 HA ASN 48 HA ASN 48 -1.135 0.778 -3.284 404 1HB ASN 48 HB2 ASN 48 -3.303 1.731 -2.560 405 2HB ASN 48 HB1 ASN 48 -2.997 1.173 -0.920 406 1HD2 ASN 48 HD21 ASN 48 -2.066 3.449 -3.401 407 2HD2 ASN 48 HD22 ASN 48 -1.233 4.543 -2.345 408 H ASN 49 HN ASN 49 0.783 1.265 -2.275 409 HA ASN 49 HA ASN 49 1.892 -0.831 -0.758 410 1HB ASN 49 HB2 ASN 49 3.930 0.496 -0.699 411 2HB ASN 49 HB1 ASN 49 3.222 0.531 -2.306 412 1HD2 ASN 49 HD21 ASN 49 2.333 2.442 -3.079 413 2HD2 ASN 49 HD22 ASN 49 2.652 3.971 -2.331 414 H GLN 50 HN GLN 50 2.660 -0.915 1.314 415 HA GLN 50 HA GLN 50 1.023 0.410 3.261 416 1HB GLN 50 HB2 GLN 50 3.307 -1.554 3.543 417 2HB GLN 50 HB1 GLN 50 2.306 -0.995 4.875 418 1HG GLN 50 HG2 GLN 50 1.183 -2.386 2.462 419 2HG GLN 50 HG1 GLN 50 1.721 -3.242 3.907 420 1HE2 GLN 50 HE21 GLN 50 0.539 -3.095 5.786 421 2HE2 GLN 50 HE22 GLN 50 -1.063 -2.437 5.826 422 H LYS 51 HN LYS 51 2.497 0.896 5.418 423 HA LYS 51 HA LYS 51 3.862 3.315 4.722 424 1HB LYS 51 HB2 LYS 51 2.445 2.966 6.787 425 2HB LYS 51 HB1 LYS 51 3.751 1.984 7.433 426 1HG LYS 51 HG2 LYS 51 5.146 3.791 7.736 427 2HG LYS 51 HG1 LYS 51 4.324 4.762 6.513 428 1HD LYS 51 HD2 LYS 51 3.179 4.005 9.203 429 2HD LYS 51 HD1 LYS 51 3.879 5.573 8.796 430 1HE LYS 51 HE2 LYS 51 2.168 5.819 7.015 431 2HE LYS 51 HE1 LYS 51 1.440 4.307 7.549 432 1HZ LYS 51 HZ1 LYS 51 0.280 6.197 8.477 433 2HZ LYS 51 HZ2 LYS 51 1.712 6.781 9.171 434 3HZ LYS 51 HZ3 LYS 51 1.040 5.321 9.719 435 H ASP 52 HN ASP 52 6.073 3.804 5.470 436 HA ASP 52 HA ASP 52 7.793 1.842 4.311 437 1HB ASP 52 HB2 ASP 52 8.323 4.581 5.453 438 2HB ASP 52 HB1 ASP 52 9.571 3.577 4.721 439 H ASP 53 HN ASP 53 10.180 2.106 5.561 440 HA ASP 53 HA ASP 53 10.060 -0.073 7.275 441 1HB ASP 53 HB2 ASP 53 12.270 1.964 6.965 442 2HB ASP 53 HB1 ASP 53 12.438 0.426 7.803 443 HA PRO 54 HA PRO 54 8.988 1.866 11.139 444 1HB PRO 54 HB2 PRO 54 8.916 -0.383 12.611 445 2HB PRO 54 HB1 PRO 54 7.665 -0.007 11.421 446 1HG PRO 54 HG2 PRO 54 10.009 -1.851 11.186 447 2HG PRO 54 HG1 PRO 54 8.336 -2.092 10.650 448 1HD PRO 54 HD2 PRO 54 10.371 -1.328 8.987 449 2HD PRO 54 HD1 PRO 54 8.665 -0.933 8.704 450 H ILE 55 HN ILE 55 11.664 2.145 10.382 451 HA ILE 55 HA ILE 55 12.926 2.406 12.915 452 HB ILE 55 HB ILE 55 13.245 -0.044 12.516 453 1HG1 ILE 55 HG12 ILE 55 15.643 -0.070 13.070 454 2HG1 ILE 55 HG11 ILE 55 15.790 1.596 12.521 455 1HG2 ILE 55 HG21 ILE 55 14.865 -0.774 10.826 456 2HG2 ILE 55 HG22 ILE 55 14.954 0.876 10.210 457 3HG2 ILE 55 HG23 ILE 55 13.443 -0.026 10.099 458 1HD1 ILE 55 HD11 ILE 55 14.276 2.310 14.300 459 2HD1 ILE 55 HD12 ILE 55 15.693 1.477 14.939 460 3HD1 ILE 55 HD13 ILE 55 14.143 0.641 14.852 461 H ASN 56 HN ASN 56 12.184 3.761 10.437 462 HA ASN 56 HA ASN 56 14.585 5.234 9.879 463 1HB ASN 56 HB2 ASN 56 14.946 3.311 8.402 464 2HB ASN 56 HB1 ASN 56 13.350 3.525 7.698 465 1HD2 ASN 56 HD21 ASN 56 15.476 6.195 8.471 466 2HD2 ASN 56 HD22 ASN 56 15.805 6.647 6.839 467 H TYR 57 HN TYR 57 13.561 7.115 10.341 468 HA TYR 57 HA TYR 57 11.351 7.922 8.598 469 1HB TYR 57 HB2 TYR 57 11.326 8.168 11.618 470 2HB TYR 57 HB1 TYR 57 10.144 8.899 10.539 471 HD1 TYR 57 HD2 TYR 57 8.480 7.523 9.406 472 HD2 TYR 57 HD1 TYR 57 11.292 5.789 12.092 473 HE1 TYR 57 HE2 TYR 57 7.118 5.480 9.504 474 HE2 TYR 57 HE1 TYR 57 9.937 3.737 12.191 475 HH TYR 57 HH TYR 57 7.457 3.067 10.011 476 H THR 58 HN THR 58 10.824 10.385 9.374 477 HA THR 58 HA THR 58 13.261 11.875 8.989 478 HB THR 58 HB THR 58 10.610 13.080 9.702 479 HG1 THR 58 HG1 THR 58 9.895 11.944 8.030 480 1HG2 THR 58 HG21 THR 58 12.856 13.968 7.886 481 2HG2 THR 58 HG22 THR 58 12.541 14.575 9.512 482 3HG2 THR 58 HG23 THR 58 11.380 14.875 8.218 483 H GLU 59 HN GLU 59 14.520 12.758 10.567 484 HA GLU 59 HA GLU 59 14.004 12.119 13.257 485 1HB GLU 59 HB2 GLU 59 15.858 13.915 13.675 486 2HB GLU 59 HB1 GLU 59 16.248 12.378 12.928 487 1HG GLU 59 HG2 GLU 59 17.418 14.070 11.750 488 2HG GLU 59 HG1 GLU 59 16.117 13.507 10.706 489 H SER 60 HN SER 60 13.531 15.111 11.435 490 HA SER 60 HA SER 60 12.507 16.636 13.567 491 1HB SER 60 HB2 SER 60 11.847 16.803 10.613 492 2HB SER 60 HB1 SER 60 11.529 18.059 11.811 493 HG SER 60 HG SER 60 14.082 17.053 11.024 494 H GLU 61 HN GLU 61 11.130 14.162 11.530 495 HA GLU 61 HA GLU 61 8.403 14.681 12.293 496 1HB GLU 61 HB2 GLU 61 8.808 13.633 10.185 497 2HB GLU 61 HB1 GLU 61 9.787 12.380 10.924 498 1HG GLU 61 HG2 GLU 61 7.854 11.390 11.938 499 2HG GLU 61 HG1 GLU 61 6.836 12.720 11.382 500 H LEU 62 HN LEU 62 10.978 12.515 13.314 501 HA LEU 62 HA LEU 62 9.435 11.049 15.198 502 1HB LEU 62 HB2 LEU 62 12.411 11.449 14.927 503 2HB LEU 62 HB1 LEU 62 11.672 10.344 16.072 504 HG LEU 62 HG LEU 62 11.378 10.157 13.074 505 1HD1 LEU 62 HD11 LEU 62 13.093 8.565 14.973 506 2HD1 LEU 62 HD12 LEU 62 13.667 9.713 13.763 507 3HD1 LEU 62 HD13 LEU 62 12.865 8.225 13.258 508 1HD2 LEU 62 HD21 LEU 62 10.419 7.967 13.542 509 2HD2 LEU 62 HD22 LEU 62 9.482 9.241 14.323 510 3HD2 LEU 62 HD23 LEU 62 10.589 8.249 15.274 511 H LYS 63 HN LYS 63 11.197 14.054 15.322 512 HA LYS 63 HA LYS 63 11.103 14.286 18.178 513 1HB LYS 63 HB2 LYS 63 11.772 16.201 15.954 514 2HB LYS 63 HB1 LYS 63 11.627 16.756 17.620 515 1HG LYS 63 HG2 LYS 63 13.379 15.256 18.320 516 2HG LYS 63 HG1 LYS 63 13.472 14.561 16.705 517 1HD LYS 63 HD2 LYS 63 14.018 17.463 17.302 518 2HD LYS 63 HD1 LYS 63 15.270 16.220 17.279 519 1HE LYS 63 HE2 LYS 63 14.485 15.675 14.929 520 2HE LYS 63 HE1 LYS 63 13.538 17.159 15.000 521 1HZ LYS 63 HZ1 LYS 63 16.492 16.992 15.323 522 2HZ LYS 63 HZ2 LYS 63 15.567 18.416 15.328 523 3HZ LYS 63 HZ3 LYS 63 15.685 17.486 13.916 524 H GLY 64 HN GLY 64 8.748 14.346 15.897 525 1HA GLY 64 HA2 GLY 64 6.999 15.950 17.656 526 2HA GLY 64 HA1 GLY 64 6.722 15.741 15.929 527 H MET 65 HN MET 65 7.868 13.136 17.894 528 HA MET 65 HA MET 65 5.245 11.810 17.669 529 1HB MET 65 HB2 MET 65 8.012 10.623 17.412 530 2HB MET 65 HB1 MET 65 6.550 9.664 17.561 531 1HG MET 65 HG2 MET 65 7.129 11.604 15.336 532 2HG MET 65 HG1 MET 65 7.347 9.857 15.248 533 1HE MET 65 HE1 MET 65 5.830 9.574 13.129 534 2HE MET 65 HE2 MET 65 5.687 11.330 13.068 535 3HE MET 65 HE3 MET 65 4.243 10.323 12.956 536 H ASN 66 HN ASN 66 4.888 10.103 19.294 537 HA ASN 66 HA ASN 66 5.749 11.062 21.916 538 1HB ASN 66 HB2 ASN 66 3.720 8.915 21.264 539 2HB ASN 66 HB1 ASN 66 3.944 9.723 22.811 540 1HD2 ASN 66 HD21 ASN 66 2.764 10.028 19.557 541 2HD2 ASN 66 HD22 ASN 66 1.802 11.449 19.832 542 H LYS 67 HN LYS 67 5.506 8.760 23.437 543 HA LYS 67 HA LYS 67 8.079 7.585 22.898 544 1HB LYS 67 HB2 LYS 67 7.896 6.540 25.049 545 2HB LYS 67 HB1 LYS 67 7.310 8.190 25.200 546 1HG LYS 67 HG2 LYS 67 5.025 7.429 25.194 547 2HG LYS 67 HG1 LYS 67 5.542 5.772 24.882 548 1HD LYS 67 HD2 LYS 67 5.091 5.848 27.186 549 2HD LYS 67 HD1 LYS 67 6.848 5.939 27.059 550 1HE LYS 67 HE2 LYS 67 6.106 7.534 28.692 551 2HE LYS 67 HE1 LYS 67 6.681 8.405 27.270 552 1HZ LYS 67 HZ1 LYS 67 3.818 7.782 27.723 553 2HZ LYS 67 HZ2 LYS 67 4.480 8.876 26.605 554 3HZ LYS 67 HZ3 LYS 67 4.544 9.215 28.264 555 H ALA 68 HN ALA 68 4.734 6.605 22.620 556 HA ALA 68 HA ALA 68 5.080 3.820 22.732 557 1HB ALA 68 HB1 ALA 68 2.922 4.943 23.041 558 2HB ALA 68 HB2 ALA 68 2.837 3.673 21.820 559 3HB ALA 68 HB3 ALA 68 2.905 5.365 21.329 560 H GLU 69 HN GLU 69 4.772 5.980 19.922 561 HA GLU 69 HA GLU 69 5.084 3.963 17.992 562 1HB GLU 69 HB2 GLU 69 5.813 5.929 16.498 563 2HB GLU 69 HB1 GLU 69 4.183 5.936 17.150 564 1HG GLU 69 HG2 GLU 69 6.335 7.359 18.633 565 2HG GLU 69 HG1 GLU 69 5.672 8.088 17.173 566 H HIS 70 HN HIS 70 7.499 6.168 19.425 567 HA HIS 70 HA HIS 70 9.742 5.264 18.069 568 1HB HIS 70 HB2 HIS 70 9.360 6.429 20.809 569 2HB HIS 70 HB1 HIS 70 10.946 5.860 20.306 570 HD1 HIS 70 HD1 HIS 70 12.348 7.502 19.102 571 HD2 HIS 70 HD2 HIS 70 8.322 8.521 18.980 572 HE1 HIS 70 HE1 HIS 70 12.262 9.775 18.040 573 HE2 HIS 70 HE2 HIS 70 9.838 10.454 18.160 574 H GLU 71 HN GLU 71 8.194 3.946 20.972 575 HA GLU 71 HA GLU 71 10.134 1.954 21.452 576 1HB GLU 71 HB2 GLU 71 7.265 2.267 22.280 577 2HB GLU 71 HB1 GLU 71 8.175 0.819 22.688 578 1HG GLU 71 HG2 GLU 71 9.844 2.218 23.830 579 2HG GLU 71 HG1 GLU 71 8.868 3.641 23.469 580 H SER 72 HN SER 72 6.997 1.819 19.790 581 HA SER 72 HA SER 72 7.080 -0.878 19.074 582 1HB SER 72 HB2 SER 72 5.804 1.391 17.526 583 2HB SER 72 HB1 SER 72 5.375 -0.317 17.425 584 HG SER 72 HG SER 72 5.013 1.467 19.600 585 H ILE 73 HN ILE 73 8.387 1.968 17.465 586 HA ILE 73 HA ILE 73 9.234 0.889 15.062 587 HB ILE 73 HB ILE 73 10.408 3.053 16.799 588 1HG1 ILE 73 HG12 ILE 73 8.968 3.186 14.146 589 2HG1 ILE 73 HG11 ILE 73 8.195 3.413 15.711 590 1HG2 ILE 73 HG21 ILE 73 11.816 3.739 14.929 591 2HG2 ILE 73 HG22 ILE 73 11.310 2.314 14.022 592 3HG2 ILE 73 HG23 ILE 73 12.248 2.127 15.504 593 1HD1 ILE 73 HD11 ILE 73 9.624 5.356 16.121 594 2HD1 ILE 73 HD12 ILE 73 8.653 5.542 14.660 595 3HD1 ILE 73 HD13 ILE 73 10.365 5.134 14.536 596 H ILE 74 HN ILE 74 11.224 1.204 18.031 597 HA ILE 74 HA ILE 74 13.327 -0.244 16.713 598 HB ILE 74 HB ILE 74 13.492 0.373 19.626 599 1HG1 ILE 74 HG12 ILE 74 13.762 2.421 17.401 600 2HG1 ILE 74 HG11 ILE 74 12.480 2.398 18.606 601 1HG2 ILE 74 HG21 ILE 74 15.818 0.882 18.929 602 2HG2 ILE 74 HG22 ILE 74 15.368 0.480 17.265 603 3HG2 ILE 74 HG23 ILE 74 15.320 -0.766 18.529 604 1HD1 ILE 74 HD11 ILE 74 14.123 2.787 20.364 605 2HD1 ILE 74 HD12 ILE 74 14.174 4.054 19.139 606 3HD1 ILE 74 HD13 ILE 74 15.410 2.797 19.159 607 H SER 75 HN SER 75 10.750 -1.077 18.877 608 HA SER 75 HA SER 75 11.911 -3.518 19.791 609 1HB SER 75 HB2 SER 75 9.532 -4.141 20.355 610 2HB SER 75 HB1 SER 75 10.085 -2.626 21.068 611 HG SER 75 HG SER 75 8.849 -1.499 19.690 612 H ASN 76 HN ASN 76 10.223 -2.515 16.917 613 HA ASN 76 HA ASN 76 9.928 -5.169 15.870 614 1HB ASN 76 HB2 ASN 76 9.758 -2.429 14.634 615 2HB ASN 76 HB1 ASN 76 9.690 -3.885 13.646 616 1HD2 ASN 76 HD21 ASN 76 7.666 -1.856 14.074 617 2HD2 ASN 76 HD22 ASN 76 6.288 -2.677 14.711 618 H LEU 77 HN LEU 77 12.370 -2.644 15.729 619 HA LEU 77 HA LEU 77 14.082 -3.851 13.847 620 1HB LEU 77 HB2 LEU 77 14.409 -1.562 14.587 621 2HB LEU 77 HB1 LEU 77 14.726 -2.103 16.224 622 HG LEU 77 HG LEU 77 16.747 -3.319 15.325 623 1HD1 LEU 77 HD11 LEU 77 17.631 -2.576 13.170 624 2HD1 LEU 77 HD12 LEU 77 16.150 -1.661 12.880 625 3HD1 LEU 77 HD13 LEU 77 16.093 -3.421 12.989 626 1HD2 LEU 77 HD21 LEU 77 18.118 -1.294 15.208 627 2HD2 LEU 77 HD22 LEU 77 16.942 -1.214 16.521 628 3HD2 LEU 77 HD23 LEU 77 16.658 -0.322 15.027 629 H GLY 78 HN GLY 78 13.732 -4.324 17.332 630 1HA GLY 78 HA2 GLY 78 14.132 -6.766 17.901 631 2HA GLY 78 HA1 GLY 78 15.704 -6.515 17.155 632 H ARG 79 HN ARG 79 16.444 -4.070 18.147 633 HA ARG 79 HA ARG 79 17.103 -4.759 20.856 634 1HB ARG 79 HB2 ARG 79 18.775 -3.671 19.431 635 2HB ARG 79 HB1 ARG 79 17.743 -2.253 19.286 636 1HG ARG 79 HG2 ARG 79 18.049 -1.671 21.550 637 2HG ARG 79 HG1 ARG 79 18.739 -3.247 21.940 638 1HD ARG 79 HD2 ARG 79 20.693 -2.752 20.590 639 2HD ARG 79 HD1 ARG 79 19.997 -1.204 20.111 640 HE ARG 79 HE ARG 79 20.455 -0.355 22.235 641 1HH1 ARG 79 HH11 ARG 79 21.376 -3.726 21.976 642 2HH1 ARG 79 HH12 ARG 79 22.375 -3.686 23.400 643 1HH2 ARG 79 HH21 ARG 79 21.775 -0.300 24.097 644 2HH2 ARG 79 HH22 ARG 79 22.621 -1.733 24.592 645 H ASN 80 HN ASN 80 15.781 -4.449 22.437 646 HA ASN 80 HA ASN 80 13.379 -3.022 22.240 647 1HB ASN 80 HB2 ASN 80 13.001 -3.637 24.535 648 2HB ASN 80 HB1 ASN 80 13.794 -4.989 23.734 649 1HD2 ASN 80 HD21 ASN 80 13.901 -2.782 26.295 650 2HD2 ASN 80 HD22 ASN 80 15.454 -3.217 26.934 651 HA PRO 81 HA PRO 81 14.885 1.010 23.274 652 1HB PRO 81 HB2 PRO 81 12.601 2.332 22.903 653 2HB PRO 81 HB1 PRO 81 13.441 1.569 21.547 654 1HG PRO 81 HG2 PRO 81 11.041 0.636 23.058 655 2HG PRO 81 HG1 PRO 81 11.379 0.546 21.320 656 1HD PRO 81 HD2 PRO 81 11.723 -1.525 23.143 657 2HD PRO 81 HD1 PRO 81 12.470 -1.434 21.536 658 H SER 82 HN SER 82 13.789 -0.880 25.436 659 HA SER 82 HA SER 82 12.269 0.760 27.209 660 1HB SER 82 HB2 SER 82 13.901 -1.667 27.967 661 2HB SER 82 HB1 SER 82 12.456 -1.041 28.763 662 HG SER 82 HG SER 82 11.231 -1.999 27.333 663 H ASP 83 HN ASP 83 15.674 -0.009 26.798 664 HA ASP 83 HA ASP 83 16.540 1.272 29.197 665 1HB ASP 83 HB2 ASP 83 17.799 -0.533 27.977 666 2HB ASP 83 HB1 ASP 83 18.186 0.656 26.736 667 H PHE 84 HN PHE 84 15.910 2.282 25.950 668 HA PHE 84 HA PHE 84 17.217 4.844 26.229 669 1HB PHE 84 HB2 PHE 84 15.337 3.812 24.088 670 2HB PHE 84 HB1 PHE 84 16.240 5.320 24.010 671 HD1 PHE 84 HD1 PHE 84 16.461 1.669 23.839 672 HD2 PHE 84 HD2 PHE 84 18.601 5.334 23.543 673 HE1 PHE 84 HE1 PHE 84 18.350 0.475 22.808 674 HE2 PHE 84 HE2 PHE 84 20.494 4.148 22.511 675 HZ PHE 84 HZ PHE 84 20.370 1.717 22.143 676 H LYS 85 HN LYS 85 16.331 6.344 27.488 677 HA LYS 85 HA LYS 85 13.464 6.133 28.073 678 1HB LYS 85 HB2 LYS 85 15.166 6.017 29.914 679 2HB LYS 85 HB1 LYS 85 15.592 7.682 29.552 680 1HG LYS 85 HG2 LYS 85 13.319 8.385 30.107 681 2HG LYS 85 HG1 LYS 85 12.897 6.711 30.476 682 1HD LYS 85 HD2 LYS 85 14.949 8.413 31.888 683 2HD LYS 85 HD1 LYS 85 13.389 7.892 32.528 684 1HE LYS 85 HE2 LYS 85 14.110 5.574 32.464 685 2HE LYS 85 HE1 LYS 85 15.643 6.048 31.737 686 1HZ LYS 85 HZ1 LYS 85 16.028 7.406 33.791 687 2HZ LYS 85 HZ2 LYS 85 16.041 5.726 34.022 688 3HZ LYS 85 HZ3 LYS 85 14.685 6.629 34.484 689 H ASN 86 HN ASN 86 15.940 8.603 27.467 690 HA ASN 86 HA ASN 86 13.922 10.669 27.212 691 1HB ASN 86 HB2 ASN 86 16.015 11.148 28.378 692 2HB ASN 86 HB1 ASN 86 16.935 10.743 26.935 693 1HD2 ASN 86 HD21 ASN 86 17.905 12.730 26.889 694 2HD2 ASN 86 HD22 ASN 86 17.068 14.160 26.376 695 H ALA 87 HN ALA 87 13.835 12.099 25.344 696 HA ALA 87 HA ALA 87 13.311 10.783 22.955 697 1HB ALA 87 HB1 ALA 87 13.979 13.701 23.355 698 2HB ALA 87 HB2 ALA 87 12.378 12.971 23.482 699 3HB ALA 87 HB3 ALA 87 13.209 13.010 21.926 700 H ASP 88 HN ASP 88 16.181 12.662 23.879 701 HA ASP 88 HA ASP 88 17.606 12.616 21.525 702 1HB ASP 88 HB2 ASP 88 18.652 12.366 24.353 703 2HB ASP 88 HB1 ASP 88 19.673 12.666 22.952 704 H GLU 89 HN GLU 89 17.589 10.167 24.078 705 HA GLU 89 HA GLU 89 19.504 8.461 22.932 706 1HB GLU 89 HB2 GLU 89 17.230 7.639 24.739 707 2HB GLU 89 HB1 GLU 89 18.783 6.837 24.546 708 1HG GLU 89 HG2 GLU 89 19.901 8.775 25.535 709 2HG GLU 89 HG1 GLU 89 18.336 9.560 25.745 710 H ARG 90 HN ARG 90 15.955 8.382 22.853 711 HA ARG 90 HA ARG 90 15.743 5.982 21.384 712 1HB ARG 90 HB2 ARG 90 13.746 8.250 21.486 713 2HB ARG 90 HB1 ARG 90 13.413 6.585 21.036 714 1HG ARG 90 HG2 ARG 90 14.029 5.888 23.330 715 2HG ARG 90 HG1 ARG 90 14.225 7.589 23.756 716 1HD ARG 90 HD2 ARG 90 11.843 7.936 23.016 717 2HD ARG 90 HD1 ARG 90 11.702 6.183 22.898 718 HE ARG 90 HE ARG 90 12.433 7.508 25.426 719 1HH1 ARG 90 HH11 ARG 90 10.387 5.304 23.623 720 2HH1 ARG 90 HH12 ARG 90 9.576 4.706 25.032 721 1HH2 ARG 90 HH21 ARG 90 11.349 6.742 27.267 722 2HH2 ARG 90 HH22 ARG 90 10.142 5.507 27.107 723 H ILE 91 HN ILE 91 15.801 9.378 20.389 724 HA ILE 91 HA ILE 91 15.199 8.833 17.652 725 HB ILE 91 HB ILE 91 16.397 11.297 18.929 726 1HG1 ILE 91 HG12 ILE 91 13.572 10.780 17.986 727 2HG1 ILE 91 HG11 ILE 91 14.090 10.610 19.659 728 1HG2 ILE 91 HG21 ILE 91 16.943 11.214 16.560 729 2HG2 ILE 91 HG22 ILE 91 15.736 12.462 16.870 730 3HG2 ILE 91 HG23 ILE 91 15.250 10.920 16.163 731 1HD1 ILE 91 HD11 ILE 91 14.689 12.983 19.695 732 2HD1 ILE 91 HD12 ILE 91 12.987 12.728 19.314 733 3HD1 ILE 91 HD13 ILE 91 14.126 13.138 18.031 734 H ALA 92 HN ALA 92 18.205 9.480 19.432 735 HA ALA 92 HA ALA 92 19.926 9.628 17.236 736 1HB ALA 92 HB1 ALA 92 20.559 8.602 20.000 737 2HB ALA 92 HB2 ALA 92 20.571 10.295 19.504 738 3HB ALA 92 HB3 ALA 92 21.727 9.162 18.802 739 H TYR 93 HN TYR 93 18.795 6.816 19.078 740 HA TYR 93 HA TYR 93 20.509 4.986 17.754 741 1HB TYR 93 HB2 TYR 93 19.384 4.507 19.942 742 2HB TYR 93 HB1 TYR 93 17.865 4.325 19.063 743 HD1 TYR 93 HD2 TYR 93 21.384 3.088 18.843 744 HD2 TYR 93 HD1 TYR 93 17.247 2.170 18.505 745 HE1 TYR 93 HE2 TYR 93 21.952 0.752 18.333 746 HE2 TYR 93 HE1 TYR 93 17.804 -0.168 17.992 747 HH TYR 93 HH TYR 93 19.720 -1.441 17.069 748 H ILE 94 HN ILE 94 17.142 5.994 17.184 749 HA ILE 94 HA ILE 94 16.661 4.295 14.992 750 HB ILE 94 HB ILE 94 15.517 7.054 15.507 751 1HG1 ILE 94 HG12 ILE 94 14.367 4.310 16.087 752 2HG1 ILE 94 HG11 ILE 94 15.061 5.385 17.295 753 1HG2 ILE 94 HG21 ILE 94 15.263 6.438 13.171 754 2HG2 ILE 94 HG22 ILE 94 13.703 6.368 13.991 755 3HG2 ILE 94 HG23 ILE 94 14.580 4.879 13.636 756 1HD1 ILE 94 HD11 ILE 94 12.612 5.952 15.633 757 2HD1 ILE 94 HD12 ILE 94 13.297 7.016 16.860 758 3HD1 ILE 94 HD13 ILE 94 12.623 5.454 17.325 759 H LEU 95 HN LEU 95 18.134 7.498 15.211 760 HA LEU 95 HA LEU 95 18.451 8.108 12.521 761 1HB LEU 95 HB2 LEU 95 20.083 8.759 14.951 762 2HB LEU 95 HB1 LEU 95 20.588 9.300 13.363 763 HG LEU 95 HG LEU 95 17.906 9.969 14.571 764 1HD1 LEU 95 HD11 LEU 95 19.693 10.918 15.936 765 2HD1 LEU 95 HD12 LEU 95 18.858 12.178 15.028 766 3HD1 LEU 95 HD13 LEU 95 20.438 11.608 14.494 767 1HD2 LEU 95 HD21 LEU 95 17.895 10.108 12.177 768 2HD2 LEU 95 HD22 LEU 95 19.425 10.981 12.174 769 3HD2 LEU 95 HD23 LEU 95 17.979 11.745 12.823 770 H LYS 96 HN LYS 96 20.494 6.095 14.595 771 HA LYS 96 HA LYS 96 22.630 5.782 12.812 772 1HB LYS 96 HB2 LYS 96 21.636 3.808 14.873 773 2HB LYS 96 HB1 LYS 96 23.229 3.802 14.125 774 1HG LYS 96 HG2 LYS 96 23.667 6.018 15.114 775 2HG LYS 96 HG1 LYS 96 22.102 5.937 15.925 776 1HD LYS 96 HD2 LYS 96 22.865 3.835 17.029 777 2HD LYS 96 HD1 LYS 96 24.459 4.099 16.321 778 1HE LYS 96 HE2 LYS 96 23.023 5.943 18.230 779 2HE LYS 96 HE1 LYS 96 24.387 4.896 18.620 780 1HZ LYS 96 HZ1 LYS 96 25.140 7.141 18.280 781 2HZ LYS 96 HZ2 LYS 96 24.420 7.207 16.746 782 3HZ LYS 96 HZ3 LYS 96 25.733 6.165 17.023 783 H GLN 97 HN GLN 97 19.555 4.085 13.013 784 HA GLN 97 HA GLN 97 20.320 2.168 10.982 785 1HB GLN 97 HB2 GLN 97 17.795 2.687 12.515 786 2HB GLN 97 HB1 GLN 97 17.772 1.660 11.090 787 1HG GLN 97 HG2 GLN 97 17.958 0.321 13.084 788 2HG GLN 97 HG1 GLN 97 19.431 0.191 12.128 789 1HE2 GLN 97 HE21 GLN 97 17.994 1.486 15.009 790 2HE2 GLN 97 HE22 GLN 97 19.471 1.840 15.832 791 H ILE 98 HN ILE 98 18.957 5.294 11.124 792 HA ILE 98 HA ILE 98 17.627 5.282 8.612 793 HB ILE 98 HB ILE 98 18.738 7.548 10.275 794 1HG1 ILE 98 HG12 ILE 98 15.907 6.591 9.792 795 2HG1 ILE 98 HG11 ILE 98 16.854 6.269 11.240 796 1HG2 ILE 98 HG21 ILE 98 17.028 7.704 7.794 797 2HG2 ILE 98 HG22 ILE 98 18.698 8.249 7.950 798 3HG2 ILE 98 HG23 ILE 98 17.418 9.059 8.854 799 1HD1 ILE 98 HD11 ILE 98 15.225 8.062 11.557 800 2HD1 ILE 98 HD12 ILE 98 16.017 8.997 10.287 801 3HD1 ILE 98 HD13 ILE 98 16.882 8.623 11.776 802 H ASP 99 HN ASP 99 20.877 6.165 9.684 803 HA ASP 99 HA ASP 99 21.789 6.815 7.047 804 1HB ASP 99 HB2 ASP 99 23.247 6.320 9.643 805 2HB ASP 99 HB1 ASP 99 24.087 6.675 8.138 806 H ASN 100 HN ASN 100 22.231 4.033 9.218 807 HA ASN 100 HA ASN 100 23.027 2.496 6.839 808 1HB ASN 100 HB2 ASN 100 24.935 2.724 8.340 809 2HB ASN 100 HB1 ASN 100 23.980 2.100 9.682 810 1HD2 ASN 100 HD21 ASN 100 25.392 0.389 10.030 811 2HD2 ASN 100 HD22 ASN 100 25.473 -0.969 8.956 812 H LYS 101 HN LYS 101 20.868 1.931 6.451 813 HA LYS 101 HA LYS 101 19.627 0.095 8.348 814 1HB LYS 101 HB2 LYS 101 18.141 1.608 7.150 815 2HB LYS 101 HB1 LYS 101 18.765 1.048 5.605 816 1HG LYS 101 HG2 LYS 101 17.819 -1.153 5.999 817 2HG LYS 101 HG1 LYS 101 17.236 -0.631 7.580 818 1HD LYS 101 HD2 LYS 101 15.487 -0.621 5.810 819 2HD LYS 101 HD1 LYS 101 15.738 0.950 6.572 820 1HE LYS 101 HE2 LYS 101 16.911 1.781 4.702 821 2HE LYS 101 HE1 LYS 101 17.105 0.171 4.011 822 1HZ LYS 101 HZ1 LYS 101 14.845 0.077 3.445 823 2HZ LYS 101 HZ2 LYS 101 15.355 1.625 2.968 824 3HZ LYS 101 HZ3 LYS 101 14.447 1.427 4.386 825 H GLY 102 HN GLY 102 20.992 0.114 5.079 826 1HA GLY 102 HA2 GLY 102 22.429 -1.430 4.141 827 2HA GLY 102 HA1 GLY 102 22.290 -2.402 5.595 828 H GLU 103 HN GLU 103 19.848 -3.238 5.789 829 HA GLU 103 HA GLU 103 18.433 -4.868 5.102 830 1HB GLU 103 HB2 GLU 103 17.962 -3.080 3.275 831 2HB GLU 103 HB1 GLU 103 18.921 -4.115 2.225 832 1HG GLU 103 HG2 GLU 103 17.377 -5.972 2.666 833 2HG GLU 103 HG1 GLU 103 16.406 -4.909 3.682 834 H LEU 104 HN LEU 104 18.695 -6.439 2.607 835 HA LEU 104 HA LEU 104 19.644 -8.426 2.046 836 1HB LEU 104 HB2 LEU 104 22.119 -6.792 2.596 837 2HB LEU 104 HB1 LEU 104 22.207 -8.454 2.047 838 HG LEU 104 HG LEU 104 20.892 -7.756 0.011 839 1HD1 LEU 104 HD11 LEU 104 20.837 -5.398 -0.569 840 2HD1 LEU 104 HD12 LEU 104 21.534 -4.981 0.996 841 3HD1 LEU 104 HD13 LEU 104 19.925 -5.697 0.910 842 1HD2 LEU 104 HD21 LEU 104 23.307 -8.093 -0.036 843 2HD2 LEU 104 HD22 LEU 104 23.556 -6.419 0.461 844 3HD2 LEU 104 HD23 LEU 104 22.825 -6.776 -1.104 845 H GLU 105 HN GLU 105 18.534 -8.966 4.139 846 HA GLU 105 HA GLU 105 19.960 -9.156 6.571 847 1HB GLU 105 HB2 GLU 105 17.494 -10.702 5.760 848 2HB GLU 105 HB1 GLU 105 18.026 -10.341 7.396 849 1HG GLU 105 HG2 GLU 105 17.552 -8.018 7.109 850 2HG GLU 105 HG1 GLU 105 17.217 -8.251 5.393 851 H HIS 106 HN HIS 106 19.095 -11.552 4.095 852 HA HIS 106 HA HIS 106 21.333 -13.198 4.760 853 1HB HIS 106 HB2 HIS 106 19.966 -15.232 5.356 854 2HB HIS 106 HB1 HIS 106 20.021 -13.982 6.589 855 HD1 HIS 106 HD1 HIS 106 17.695 -15.860 4.401 856 HD2 HIS 106 HD2 HIS 106 17.570 -12.576 6.953 857 HE1 HIS 106 HE1 HIS 106 15.254 -15.415 4.823 858 HE2 HIS 106 HE2 HIS 106 15.205 -13.308 6.213 859 H HIS 107 HN HIS 107 22.018 -13.869 2.896 860 HA HIS 107 HA HIS 107 20.326 -15.296 1.067 861 1HB HIS 107 HB2 HIS 107 19.887 -12.879 0.484 862 2HB HIS 107 HB1 HIS 107 21.593 -12.724 0.084 863 HD1 HIS 107 HD1 HIS 107 18.625 -14.869 -0.971 864 HD2 HIS 107 HD2 HIS 107 22.111 -13.206 -2.525 865 HE1 HIS 107 HE1 HIS 107 18.606 -15.414 -3.426 866 HE2 HIS 107 HE2 HIS 107 20.585 -14.176 -4.378 867 H HIS 108 HN HIS 108 21.548 -16.602 -0.291 868 HA HIS 108 HA HIS 108 23.368 -17.637 -1.194 869 1HB HIS 108 HB2 HIS 108 24.439 -15.554 -1.744 870 2HB HIS 108 HB1 HIS 108 24.909 -15.289 -0.072 871 HD1 HIS 108 HD1 HIS 108 25.477 -18.306 -2.350 872 HD2 HIS 108 HD2 HIS 108 27.589 -15.571 -0.027 873 HE1 HIS 108 HE1 HIS 108 27.890 -18.998 -2.504 874 HE2 HIS 108 HE2 HIS 108 29.132 -17.411 -0.991 875 H HIS 109 HN HIS 109 23.709 -16.436 2.106 876 HA HIS 109 HA HIS 109 25.179 -18.661 3.082 877 1HB HIS 109 HB2 HIS 109 25.130 -16.652 4.405 878 2HB HIS 109 HB1 HIS 109 23.371 -16.659 4.455 879 HD1 HIS 109 HD1 HIS 109 22.480 -17.420 6.618 880 HD2 HIS 109 HD2 HIS 109 26.142 -19.201 5.754 881 HE1 HIS 109 HE1 HIS 109 23.001 -18.902 8.588 882 HE2 HIS 109 HE2 HIS 109 25.265 -19.895 8.087 883 H HIS 110 HN HIS 110 24.510 -20.691 3.282 884 HA HIS 110 HA HIS 110 21.665 -21.198 3.803 885 1HB HIS 110 HB2 HIS 110 21.632 -23.042 2.191 886 2HB HIS 110 HB1 HIS 110 22.018 -21.527 1.385 887 HD1 HIS 110 HD1 HIS 110 23.496 -24.856 2.306 888 HD2 HIS 110 HD2 HIS 110 24.573 -21.399 0.249 889 HE1 HIS 110 HE1 HIS 110 25.602 -25.432 1.064 890 HE2 HIS 110 HE2 HIS 110 26.131 -23.390 -0.316 891 H HIS 111 HN HIS 111 21.400 -23.647 4.292 892 HA HIS 111 HA HIS 111 23.181 -24.382 6.401 893 1HB HIS 111 HB2 HIS 111 20.774 -24.976 6.405 894 2HB HIS 111 HB1 HIS 111 21.042 -26.024 5.019 895 HD1 HIS 111 HD1 HIS 111 21.540 -28.402 5.549 896 HD2 HIS 111 HD2 HIS 111 22.284 -25.890 8.778 897 HE1 HIS 111 HE1 HIS 111 22.110 -29.918 7.466 898 HE2 HIS 111 HE2 HIS 111 22.375 -28.388 9.451 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -3.863 -1.094 4.239 2 2H MET 1 HT2 MET 1 -4.583 -1.107 2.705 3 3H MET 1 HT3 MET 1 -4.620 -2.502 3.664 4 HA MET 1 HA MET 1 -6.020 -1.428 5.267 5 1HB MET 1 HB2 MET 1 -6.868 0.797 4.943 6 2HB MET 1 HB1 MET 1 -5.116 0.875 4.842 7 1HG MET 1 HG2 MET 1 -6.983 0.824 2.481 8 2HG MET 1 HG1 MET 1 -6.257 2.274 3.169 9 1HE MET 1 HE1 MET 1 -6.040 1.517 0.086 10 2HE MET 1 HE2 MET 1 -4.342 1.877 -0.224 11 3HE MET 1 HE3 MET 1 -5.301 2.956 0.789 12 H PHE 2 HN PHE 2 -8.433 -1.010 4.834 13 HA PHE 2 HA PHE 2 -9.179 -2.330 2.306 14 1HB PHE 2 HB2 PHE 2 -10.411 -2.778 5.032 15 2HB PHE 2 HB1 PHE 2 -10.941 -3.526 3.531 16 HD1 PHE 2 HD2 PHE 2 -9.436 -5.139 2.374 17 HD2 PHE 2 HD1 PHE 2 -8.612 -3.656 6.276 18 HE1 PHE 2 HE2 PHE 2 -7.872 -7.001 2.744 19 HE2 PHE 2 HE1 PHE 2 -7.045 -5.516 6.655 20 HZ PHE 2 HZ PHE 2 -6.675 -7.193 4.889 21 H THR 3 HN THR 3 -11.417 -1.937 1.648 22 HA THR 3 HA THR 3 -12.513 0.587 2.685 23 HB THR 3 HB THR 3 -13.316 0.991 0.288 24 HG1 THR 3 HG1 THR 3 -12.147 -0.035 -1.342 25 1HG2 THR 3 HG21 THR 3 -11.563 2.333 1.331 26 2HG2 THR 3 HG22 THR 3 -11.207 2.052 -0.374 27 3HG2 THR 3 HG23 THR 3 -10.358 1.132 0.867 28 H ALA 4 HN ALA 4 -14.698 0.665 2.941 29 HA ALA 4 HA ALA 4 -16.191 -1.780 2.245 30 1HB ALA 4 HB1 ALA 4 -15.869 -1.584 4.658 31 2HB ALA 4 HB2 ALA 4 -17.569 -1.397 4.228 32 3HB ALA 4 HB3 ALA 4 -16.602 0.020 4.631 33 H LYS 5 HN LYS 5 -17.880 -1.537 0.966 34 HA LYS 5 HA LYS 5 -18.895 1.186 0.493 35 1HB LYS 5 HB2 LYS 5 -17.796 -0.091 -1.410 36 2HB LYS 5 HB1 LYS 5 -19.147 -1.211 -1.329 37 1HG LYS 5 HG2 LYS 5 -20.680 0.681 -1.790 38 2HG LYS 5 HG1 LYS 5 -19.269 1.720 -2.008 39 1HD LYS 5 HD2 LYS 5 -18.496 0.015 -3.742 40 2HD LYS 5 HD1 LYS 5 -20.126 -0.649 -3.653 41 1HE LYS 5 HE2 LYS 5 -20.089 0.858 -5.485 42 2HE LYS 5 HE1 LYS 5 -20.985 1.646 -4.185 43 1HZ LYS 5 HZ1 LYS 5 -18.161 2.166 -4.960 44 2HZ LYS 5 HZ2 LYS 5 -18.927 2.856 -3.617 45 3HZ LYS 5 HZ3 LYS 5 -19.481 3.210 -5.178 46 H LEU 6 HN LEU 6 -20.664 1.426 1.770 47 HA LEU 6 HA LEU 6 -22.413 -0.679 2.501 48 1HB LEU 6 HB2 LEU 6 -22.183 1.422 3.783 49 2HB LEU 6 HB1 LEU 6 -22.931 2.299 2.464 50 HG LEU 6 HG LEU 6 -25.031 1.054 2.842 51 1HD1 LEU 6 HD11 LEU 6 -24.082 -1.006 3.743 52 2HD1 LEU 6 HD12 LEU 6 -25.301 -0.328 4.823 53 3HD1 LEU 6 HD13 LEU 6 -23.589 -0.138 5.198 54 1HD2 LEU 6 HD21 LEU 6 -24.676 3.199 3.921 55 2HD2 LEU 6 HD22 LEU 6 -23.946 2.383 5.303 56 3HD2 LEU 6 HD23 LEU 6 -25.649 2.124 4.923 57 H ILE 7 HN ILE 7 -23.815 -1.707 1.227 58 HA ILE 7 HA ILE 7 -24.646 -0.339 -1.240 59 HB ILE 7 HB ILE 7 -25.043 -2.577 -2.180 60 1HG1 ILE 7 HG12 ILE 7 -23.781 -3.611 0.365 61 2HG1 ILE 7 HG11 ILE 7 -25.494 -3.737 -0.019 62 1HG2 ILE 7 HG21 ILE 7 -22.728 -3.153 -2.495 63 2HG2 ILE 7 HG22 ILE 7 -22.280 -2.252 -1.050 64 3HG2 ILE 7 HG23 ILE 7 -22.905 -1.399 -2.461 65 1HD1 ILE 7 HD11 ILE 7 -23.234 -5.005 -1.549 66 2HD1 ILE 7 HD12 ILE 7 -24.945 -5.116 -1.963 67 3HD1 ILE 7 HD13 ILE 7 -24.353 -5.823 -0.460 68 H LYS 8 HN LYS 8 -25.821 -1.994 1.589 69 HA LYS 8 HA LYS 8 -28.581 -1.658 0.640 70 1HB LYS 8 HB2 LYS 8 -27.353 -3.460 2.711 71 2HB LYS 8 HB1 LYS 8 -29.080 -3.150 2.679 72 1HG LYS 8 HG2 LYS 8 -29.271 -4.112 0.491 73 2HG LYS 8 HG1 LYS 8 -27.517 -4.281 0.370 74 1HD LYS 8 HD2 LYS 8 -27.466 -5.951 2.037 75 2HD LYS 8 HD1 LYS 8 -29.117 -5.597 2.549 76 1HE LYS 8 HE2 LYS 8 -28.459 -6.600 -0.207 77 2HE LYS 8 HE1 LYS 8 -28.770 -7.689 1.144 78 1HZ LYS 8 HZ1 LYS 8 -30.674 -5.591 0.251 79 2HZ LYS 8 HZ2 LYS 8 -30.962 -6.834 1.367 80 3HZ LYS 8 HZ3 LYS 8 -30.740 -7.202 -0.271 81 H GLY 9 HN GLY 9 -29.825 -0.150 1.520 82 1HA GLY 9 HA2 GLY 9 -30.666 0.883 3.559 83 2HA GLY 9 HA1 GLY 9 -29.002 0.957 4.125 84 H LYS 10 HN LYS 10 -28.338 2.971 4.187 85 HA LYS 10 HA LYS 10 -28.305 4.694 1.962 86 1HB LYS 10 HB2 LYS 10 -29.822 6.474 2.920 87 2HB LYS 10 HB1 LYS 10 -30.640 5.054 2.284 88 1HG LYS 10 HG2 LYS 10 -30.757 4.192 4.640 89 2HG LYS 10 HG1 LYS 10 -30.172 5.772 5.167 90 1HD LYS 10 HD2 LYS 10 -32.093 6.851 4.159 91 2HD LYS 10 HD1 LYS 10 -32.656 5.307 3.519 92 1HE LYS 10 HE2 LYS 10 -32.818 4.481 5.873 93 2HE LYS 10 HE1 LYS 10 -32.445 6.117 6.414 94 1HZ LYS 10 HZ1 LYS 10 -34.425 6.917 5.300 95 2HZ LYS 10 HZ2 LYS 10 -34.834 5.685 6.395 96 3HZ LYS 10 HZ3 LYS 10 -34.773 5.357 4.730 97 H THR 11 HN THR 11 -28.469 4.632 5.506 98 HA THR 11 HA THR 11 -25.793 5.792 5.596 99 HB THR 11 HB THR 11 -26.772 7.127 7.685 100 HG1 THR 11 HG1 THR 11 -28.934 6.375 7.345 101 1HG2 THR 11 HG21 THR 11 -25.584 8.119 5.776 102 2HG2 THR 11 HG22 THR 11 -26.959 9.105 6.271 103 3HG2 THR 11 HG23 THR 11 -27.077 8.088 4.836 104 H TYR 12 HN TYR 12 -24.651 4.307 6.644 105 HA TYR 12 HA TYR 12 -25.832 3.064 9.057 106 1HB TYR 12 HB2 TYR 12 -25.360 1.642 6.916 107 2HB TYR 12 HB1 TYR 12 -23.678 1.769 7.414 108 HD1 TYR 12 HD2 TYR 12 -23.327 1.169 10.023 109 HD2 TYR 12 HD1 TYR 12 -26.499 -0.215 7.555 110 HE1 TYR 12 HE2 TYR 12 -23.636 -0.751 11.524 111 HE2 TYR 12 HE1 TYR 12 -26.830 -2.143 9.056 112 HH TYR 12 HH TYR 12 -25.355 -3.464 10.703 113 H ASN 13 HN ASN 13 -24.890 4.196 10.715 114 HA ASN 13 HA ASN 13 -22.076 4.930 10.523 115 1HB ASN 13 HB2 ASN 13 -23.534 6.635 11.429 116 2HB ASN 13 HB1 ASN 13 -24.150 5.523 12.649 117 1HD2 ASN 13 HD21 ASN 13 -21.469 7.528 11.677 118 2HD2 ASN 13 HD22 ASN 13 -20.624 7.458 13.187 119 H VAL 14 HN VAL 14 -20.526 3.651 11.222 120 HA VAL 14 HA VAL 14 -21.092 1.889 13.521 121 HB VAL 14 HB VAL 14 -19.087 1.390 11.308 122 1HG1 VAL 14 HG11 VAL 14 -19.885 -0.328 13.658 123 2HG1 VAL 14 HG12 VAL 14 -18.350 0.523 13.474 124 3HG1 VAL 14 HG13 VAL 14 -18.768 -0.790 12.374 125 1HG2 VAL 14 HG21 VAL 14 -21.360 1.056 10.519 126 2HG2 VAL 14 HG22 VAL 14 -21.702 0.016 11.903 127 3HG2 VAL 14 HG23 VAL 14 -20.529 -0.492 10.687 128 H MET 15 HN MET 15 -20.217 2.757 15.258 129 HA MET 15 HA MET 15 -18.731 3.641 16.718 130 1HB MET 15 HB2 MET 15 -16.670 3.011 14.592 131 2HB MET 15 HB1 MET 15 -16.312 3.464 16.251 132 1HG MET 15 HG2 MET 15 -17.413 1.446 17.051 133 2HG MET 15 HG1 MET 15 -17.801 0.995 15.392 134 1HE MET 15 HE1 MET 15 -15.065 -1.618 16.356 135 2HE MET 15 HE2 MET 15 -16.713 -1.367 15.777 136 3HE MET 15 HE3 MET 15 -16.284 -0.939 17.434 137 H GLY 16 HN GLY 16 -16.638 4.716 14.165 138 1HA GLY 16 HA2 GLY 16 -17.721 7.445 14.456 139 2HA GLY 16 HA1 GLY 16 -15.992 7.125 14.485 140 H ILE 17 HN ILE 17 -17.818 5.156 12.374 141 HA ILE 17 HA ILE 17 -17.068 6.865 10.094 142 HB ILE 17 HB ILE 17 -16.993 3.839 10.161 143 1HG1 ILE 17 HG12 ILE 17 -14.514 4.379 9.518 144 2HG1 ILE 17 HG11 ILE 17 -14.848 5.938 10.262 145 1HG2 ILE 17 HG21 ILE 17 -17.726 4.645 8.006 146 2HG2 ILE 17 HG22 ILE 17 -16.078 4.029 7.887 147 3HG2 ILE 17 HG23 ILE 17 -16.366 5.767 7.932 148 1HD1 ILE 17 HD11 ILE 17 -13.783 4.448 11.833 149 2HD1 ILE 17 HD12 ILE 17 -15.052 3.248 11.596 150 3HD1 ILE 17 HD13 ILE 17 -15.432 4.797 12.350 151 H THR 18 HN THR 18 -18.904 7.665 9.304 152 HA THR 18 HA THR 18 -21.352 6.094 9.354 153 HB THR 18 HB THR 18 -20.923 8.892 8.282 154 HG1 THR 18 HG1 THR 18 -21.166 9.588 10.281 155 1HG2 THR 18 HG21 THR 18 -22.941 7.806 7.425 156 2HG2 THR 18 HG22 THR 18 -23.355 9.100 8.550 157 3HG2 THR 18 HG23 THR 18 -23.441 7.417 9.071 158 H PHE 19 HN PHE 19 -21.489 4.605 7.809 159 HA PHE 19 HA PHE 19 -20.364 5.028 5.177 160 1HB PHE 19 HB2 PHE 19 -22.021 2.733 6.254 161 2HB PHE 19 HB1 PHE 19 -21.176 2.753 4.711 162 HD1 PHE 19 HD2 PHE 19 -18.709 2.740 4.661 163 HD2 PHE 19 HD1 PHE 19 -20.904 2.241 8.270 164 HE1 PHE 19 HE2 PHE 19 -16.712 1.804 5.743 165 HE2 PHE 19 HE1 PHE 19 -18.911 1.303 9.361 166 HZ PHE 19 HZ PHE 19 -16.811 1.082 8.096 167 H ARG 20 HN ARG 20 -21.591 5.006 3.246 168 HA ARG 20 HA ARG 20 -24.450 5.547 3.554 169 1HB ARG 20 HB2 ARG 20 -22.423 7.261 2.137 170 2HB ARG 20 HB1 ARG 20 -24.135 7.327 1.739 171 1HG ARG 20 HG2 ARG 20 -24.692 8.045 3.950 172 2HG ARG 20 HG1 ARG 20 -23.035 7.789 4.503 173 1HD ARG 20 HD2 ARG 20 -23.715 9.703 2.290 174 2HD ARG 20 HD1 ARG 20 -23.739 10.183 3.987 175 HE ARG 20 HE ARG 20 -21.337 9.463 4.021 176 1HH1 ARG 20 HH11 ARG 20 -22.851 10.399 1.009 177 2HH1 ARG 20 HH12 ARG 20 -21.398 11.081 0.341 178 1HH2 ARG 20 HH21 ARG 20 -19.433 10.310 3.156 179 2HH2 ARG 20 HH22 ARG 20 -19.433 11.026 1.569 180 H ALA 21 HN ALA 21 -25.739 4.929 1.846 181 HA ALA 21 HA ALA 21 -25.005 2.687 0.401 182 1HB ALA 21 HB1 ALA 21 -27.177 4.657 -0.288 183 2HB ALA 21 HB2 ALA 21 -27.319 3.323 0.857 184 3HB ALA 21 HB3 ALA 21 -27.061 2.991 -0.855 185 H GLY 22 HN GLY 22 -23.538 2.481 -1.117 186 1HA GLY 22 HA2 GLY 22 -22.875 2.713 -3.379 187 2HA GLY 22 HA1 GLY 22 -23.610 4.308 -3.406 188 H VAL 23 HN VAL 23 -21.998 4.336 -0.604 189 HA VAL 23 HA VAL 23 -19.734 5.700 -1.882 190 HB VAL 23 HB VAL 23 -20.736 5.936 0.960 191 1HG1 VAL 23 HG11 VAL 23 -18.367 6.432 0.792 192 2HG1 VAL 23 HG12 VAL 23 -19.283 7.912 1.074 193 3HG1 VAL 23 HG13 VAL 23 -18.673 7.545 -0.540 194 1HG2 VAL 23 HG21 VAL 23 -21.581 8.133 0.260 195 2HG2 VAL 23 HG22 VAL 23 -22.355 6.818 -0.625 196 3HG2 VAL 23 HG23 VAL 23 -21.097 7.781 -1.399 197 H SER 24 HN SER 24 -17.782 4.850 -1.822 198 HA SER 24 HA SER 24 -17.222 2.610 -0.024 199 1HB SER 24 HB2 SER 24 -15.582 3.751 -2.304 200 2HB SER 24 HB1 SER 24 -15.211 2.281 -1.403 201 HG SER 24 HG SER 24 -16.404 1.314 -2.823 202 H GLN 25 HN GLN 25 -16.178 2.928 1.825 203 HA GLN 25 HA GLN 25 -14.433 5.294 2.061 204 1HB GLN 25 HB2 GLN 25 -16.273 4.141 4.166 205 2HB GLN 25 HB1 GLN 25 -15.135 5.455 4.431 206 1HG GLN 25 HG2 GLN 25 -16.330 6.840 2.835 207 2HG GLN 25 HG1 GLN 25 -17.446 5.515 2.504 208 1HE2 GLN 25 HE21 GLN 25 -19.215 6.713 3.135 209 2HE2 GLN 25 HE22 GLN 25 -19.546 7.073 4.796 210 H THR 26 HN THR 26 -12.548 5.053 3.254 211 HA THR 26 HA THR 26 -11.468 2.403 3.335 212 HB THR 26 HB THR 26 -10.261 4.931 4.477 213 HG1 THR 26 HG1 THR 26 -9.569 5.420 2.469 214 1HG2 THR 26 HG21 THR 26 -8.129 3.804 4.053 215 2HG2 THR 26 HG22 THR 26 -8.988 2.391 3.440 216 3HG2 THR 26 HG23 THR 26 -9.139 2.848 5.138 217 H VAL 27 HN VAL 27 -11.409 1.017 5.014 218 HA VAL 27 HA VAL 27 -12.189 2.055 7.665 219 HB VAL 27 HB VAL 27 -13.401 -0.007 8.113 220 1HG1 VAL 27 HG11 VAL 27 -15.279 0.315 6.582 221 2HG1 VAL 27 HG12 VAL 27 -14.243 1.267 5.518 222 3HG1 VAL 27 HG13 VAL 27 -14.620 1.853 7.138 223 1HG2 VAL 27 HG21 VAL 27 -12.090 -1.534 6.725 224 2HG2 VAL 27 HG22 VAL 27 -12.751 -0.786 5.271 225 3HG2 VAL 27 HG23 VAL 27 -13.812 -1.669 6.370 226 HA PRO 28 HA PRO 28 -8.679 -0.160 9.357 227 1HB PRO 28 HB2 PRO 28 -10.375 -0.758 11.691 228 2HB PRO 28 HB1 PRO 28 -8.876 0.173 11.607 229 1HG PRO 28 HG2 PRO 28 -11.242 1.359 12.026 230 2HG PRO 28 HG1 PRO 28 -9.965 2.133 11.068 231 1HD PRO 28 HD2 PRO 28 -12.426 0.696 10.138 232 2HD PRO 28 HD1 PRO 28 -11.698 2.196 9.524 233 H LYS 29 HN LYS 29 -8.155 -2.336 10.209 234 HA LYS 29 HA LYS 29 -9.363 -4.271 8.559 235 1HB LYS 29 HB2 LYS 29 -6.970 -4.221 9.425 236 2HB LYS 29 HB1 LYS 29 -7.606 -4.866 10.932 237 1HG LYS 29 HG2 LYS 29 -8.309 -6.867 9.882 238 2HG LYS 29 HG1 LYS 29 -8.007 -6.204 8.272 239 1HD LYS 29 HD2 LYS 29 -5.589 -5.996 8.937 240 2HD LYS 29 HD1 LYS 29 -5.987 -6.921 10.385 241 1HE LYS 29 HE2 LYS 29 -6.700 -8.794 9.047 242 2HE LYS 29 HE1 LYS 29 -6.466 -7.866 7.566 243 1HZ LYS 29 HZ1 LYS 29 -4.092 -7.725 8.117 244 2HZ LYS 29 HZ2 LYS 29 -4.612 -9.325 7.909 245 3HZ LYS 29 HZ3 LYS 29 -4.353 -8.715 9.472 246 H LYS 30 HN LYS 30 -9.795 -3.456 11.961 247 HA LYS 30 HA LYS 30 -11.313 -5.610 12.825 248 1HB LYS 30 HB2 LYS 30 -11.696 -2.687 13.480 249 2HB LYS 30 HB1 LYS 30 -12.490 -4.001 14.329 250 1HG LYS 30 HG2 LYS 30 -10.183 -4.854 14.909 251 2HG LYS 30 HG1 LYS 30 -9.567 -3.313 14.298 252 1HD LYS 30 HD2 LYS 30 -11.160 -2.169 15.874 253 2HD LYS 30 HD1 LYS 30 -11.497 -3.750 16.574 254 1HE LYS 30 HE2 LYS 30 -9.866 -2.638 17.933 255 2HE LYS 30 HE1 LYS 30 -9.078 -3.972 17.091 256 1HZ LYS 30 HZ1 LYS 30 -7.874 -1.763 17.150 257 2HZ LYS 30 HZ2 LYS 30 -9.026 -1.210 16.033 258 3HZ LYS 30 HZ3 LYS 30 -8.015 -2.513 15.637 259 H LEU 31 HN LEU 31 -12.419 -2.653 11.210 260 HA LEU 31 HA LEU 31 -15.149 -3.394 11.257 261 1HB LEU 31 HB2 LEU 31 -13.702 -1.326 9.607 262 2HB LEU 31 HB1 LEU 31 -15.445 -1.525 9.627 263 HG LEU 31 HG LEU 31 -13.690 -0.674 11.932 264 1HD1 LEU 31 HD11 LEU 31 -15.923 0.733 10.480 265 2HD1 LEU 31 HD12 LEU 31 -14.204 1.050 10.262 266 3HD1 LEU 31 HD13 LEU 31 -14.972 1.380 11.815 267 1HD2 LEU 31 HD21 LEU 31 -15.758 -0.501 13.235 268 2HD2 LEU 31 HD22 LEU 31 -15.438 -2.167 12.751 269 3HD2 LEU 31 HD23 LEU 31 -16.658 -1.221 11.899 270 H TYR 32 HN TYR 32 -12.576 -3.842 8.900 271 HA TYR 32 HA TYR 32 -14.152 -4.612 6.719 272 1HB TYR 32 HB2 TYR 32 -11.735 -4.204 6.543 273 2HB TYR 32 HB1 TYR 32 -11.413 -5.644 7.503 274 HD1 TYR 32 HD2 TYR 32 -12.951 -4.507 4.315 275 HD2 TYR 32 HD1 TYR 32 -11.186 -7.732 6.458 276 HE1 TYR 32 HE2 TYR 32 -12.926 -5.851 2.259 277 HE2 TYR 32 HE1 TYR 32 -11.161 -9.087 4.405 278 HH TYR 32 HH TYR 32 -11.736 -7.760 1.307 279 H GLU 33 HN GLU 33 -12.859 -6.503 9.411 280 HA GLU 33 HA GLU 33 -14.017 -8.968 8.486 281 1HB GLU 33 HB2 GLU 33 -11.944 -8.913 9.814 282 2HB GLU 33 HB1 GLU 33 -12.831 -8.241 11.174 283 1HG GLU 33 HG2 GLU 33 -14.149 -10.275 11.334 284 2HG GLU 33 HG1 GLU 33 -13.296 -10.949 9.944 285 H TYR 34 HN TYR 34 -14.784 -6.526 10.898 286 HA TYR 34 HA TYR 34 -16.939 -7.790 12.163 287 1HB TYR 34 HB2 TYR 34 -15.761 -5.722 12.941 288 2HB TYR 34 HB1 TYR 34 -16.582 -4.824 11.671 289 HD1 TYR 34 HD1 TYR 34 -17.545 -7.232 14.377 290 HD2 TYR 34 HD2 TYR 34 -18.365 -3.560 12.384 291 HE1 TYR 34 HE1 TYR 34 -19.417 -6.819 15.915 292 HE2 TYR 34 HE2 TYR 34 -20.241 -3.145 13.916 293 HH TYR 34 HH TYR 34 -21.683 -4.232 15.410 294 H LEU 35 HN LEU 35 -16.795 -5.755 9.277 295 HA LEU 35 HA LEU 35 -19.650 -6.031 8.838 296 1HB LEU 35 HB2 LEU 35 -17.546 -4.735 7.100 297 2HB LEU 35 HB1 LEU 35 -19.280 -4.621 6.875 298 HG LEU 35 HG LEU 35 -17.736 -3.520 9.224 299 1HD1 LEU 35 HD11 LEU 35 -17.313 -2.261 7.208 300 2HD1 LEU 35 HD12 LEU 35 -18.359 -1.336 8.286 301 3HD1 LEU 35 HD13 LEU 35 -19.044 -2.151 6.881 302 1HD2 LEU 35 HD21 LEU 35 -20.663 -3.272 8.533 303 2HD2 LEU 35 HD22 LEU 35 -19.840 -2.499 9.889 304 3HD2 LEU 35 HD23 LEU 35 -19.991 -4.255 9.834 305 H ASN 36 HN ASN 36 -16.810 -7.724 8.065 306 HA ASN 36 HA ASN 36 -17.539 -8.910 5.617 307 1HB ASN 36 HB2 ASN 36 -15.270 -9.052 6.627 308 2HB ASN 36 HB1 ASN 36 -15.914 -10.122 7.869 309 1HD2 ASN 36 HD21 ASN 36 -16.404 -12.244 7.356 310 2HD2 ASN 36 HD22 ASN 36 -15.894 -12.972 5.867 311 H GLU 37 HN GLU 37 -18.246 -9.672 8.967 312 HA GLU 37 HA GLU 37 -19.868 -11.968 8.281 313 1HB GLU 37 HB2 GLU 37 -19.017 -10.620 10.792 314 2HB GLU 37 HB1 GLU 37 -20.504 -11.556 10.846 315 1HG GLU 37 HG2 GLU 37 -18.577 -12.867 11.558 316 2HG GLU 37 HG1 GLU 37 -19.325 -13.535 10.111 317 H ASN 38 HN ASN 38 -20.425 -8.897 7.663 318 HA ASN 38 HA ASN 38 -23.306 -9.118 8.224 319 1HB ASN 38 HB2 ASN 38 -21.507 -6.737 8.616 320 2HB ASN 38 HB1 ASN 38 -23.223 -6.521 8.292 321 1HD2 ASN 38 HD21 ASN 38 -20.855 -7.661 10.586 322 2HD2 ASN 38 HD22 ASN 38 -21.944 -7.816 11.920 323 HA PRO 39 HA PRO 39 -22.574 -8.985 3.763 324 1HB PRO 39 HB2 PRO 39 -25.122 -10.362 3.515 325 2HB PRO 39 HB1 PRO 39 -23.498 -10.951 3.157 326 1HG PRO 39 HG2 PRO 39 -24.969 -11.888 5.232 327 2HG PRO 39 HG1 PRO 39 -23.196 -11.802 5.269 328 1HD PRO 39 HD2 PRO 39 -25.209 -9.919 6.459 329 2HD PRO 39 HD1 PRO 39 -23.714 -10.565 7.175 330 H TYR 40 HN TYR 40 -23.496 -6.553 4.672 331 HA TYR 40 HA TYR 40 -25.337 -6.001 2.463 332 1HB TYR 40 HB2 TYR 40 -26.150 -4.016 3.968 333 2HB TYR 40 HB1 TYR 40 -26.867 -5.610 4.131 334 HD1 TYR 40 HD2 TYR 40 -24.538 -3.198 5.662 335 HD2 TYR 40 HD1 TYR 40 -26.690 -6.830 6.161 336 HE1 TYR 40 HE2 TYR 40 -24.064 -3.142 8.071 337 HE2 TYR 40 HE1 TYR 40 -26.229 -6.782 8.575 338 HH TYR 40 HH TYR 40 -24.600 -5.805 10.118 339 H PHE 41 HN PHE 41 -22.422 -5.940 2.981 340 HA PHE 41 HA PHE 41 -21.951 -3.236 1.925 341 1HB PHE 41 HB2 PHE 41 -20.271 -4.831 3.865 342 2HB PHE 41 HB1 PHE 41 -19.588 -3.538 2.895 343 HD1 PHE 41 HD1 PHE 41 -21.898 -4.340 5.636 344 HD2 PHE 41 HD2 PHE 41 -19.981 -1.258 3.419 345 HE1 PHE 41 HE1 PHE 41 -22.515 -2.711 7.372 346 HE2 PHE 41 HE2 PHE 41 -20.597 0.378 5.151 347 HZ PHE 41 HZ PHE 41 -21.865 -0.349 7.131 348 H ILE 42 HN ILE 42 -20.612 -3.169 0.095 349 HA ILE 42 HA ILE 42 -19.430 -5.714 -0.759 350 HB ILE 42 HB ILE 42 -19.681 -3.047 -2.157 351 1HG1 ILE 42 HG12 ILE 42 -20.579 -5.839 -2.909 352 2HG1 ILE 42 HG11 ILE 42 -21.612 -4.589 -2.230 353 1HG2 ILE 42 HG21 ILE 42 -18.074 -5.438 -3.062 354 2HG2 ILE 42 HG22 ILE 42 -17.432 -3.862 -2.599 355 3HG2 ILE 42 HG23 ILE 42 -18.433 -4.015 -4.042 356 1HD1 ILE 42 HD11 ILE 42 -21.921 -4.765 -4.627 357 2HD1 ILE 42 HD12 ILE 42 -20.201 -4.474 -4.888 358 3HD1 ILE 42 HD13 ILE 42 -21.219 -3.203 -4.210 359 H LEU 43 HN LEU 43 -17.568 -6.199 0.118 360 HA LEU 43 HA LEU 43 -15.907 -4.092 1.253 361 1HB LEU 43 HB2 LEU 43 -15.758 -7.098 1.475 362 2HB LEU 43 HB1 LEU 43 -14.724 -5.973 2.338 363 HG LEU 43 HG LEU 43 -17.727 -6.034 2.645 364 1HD1 LEU 43 HD11 LEU 43 -16.750 -8.162 3.369 365 2HD1 LEU 43 HD12 LEU 43 -17.368 -7.221 4.726 366 3HD1 LEU 43 HD13 LEU 43 -15.632 -7.287 4.417 367 1HD2 LEU 43 HD21 LEU 43 -15.537 -4.752 4.279 368 2HD2 LEU 43 HD22 LEU 43 -17.258 -4.740 4.670 369 3HD2 LEU 43 HD23 LEU 43 -16.677 -3.915 3.224 370 H THR 44 HN THR 44 -13.956 -3.530 0.500 371 HA THR 44 HA THR 44 -12.754 -5.140 -1.640 372 HB THR 44 HB THR 44 -12.784 -2.159 -1.933 373 HG1 THR 44 HG1 THR 44 -15.015 -3.612 -1.851 374 1HG2 THR 44 HG21 THR 44 -12.691 -2.721 -4.314 375 2HG2 THR 44 HG22 THR 44 -12.831 -4.435 -3.920 376 3HG2 THR 44 HG23 THR 44 -11.401 -3.530 -3.424 377 H GLN 45 HN GLN 45 -10.480 -4.445 -2.065 378 HA GLN 45 HA GLN 45 -9.356 -2.609 -0.093 379 1HB GLN 45 HB2 GLN 45 -7.259 -4.020 -0.050 380 2HB GLN 45 HB1 GLN 45 -8.642 -4.677 0.810 381 1HG GLN 45 HG2 GLN 45 -9.095 -6.182 -1.053 382 2HG GLN 45 HG1 GLN 45 -7.715 -5.514 -1.928 383 1HE2 GLN 45 HE21 GLN 45 -8.254 -8.248 -0.999 384 2HE2 GLN 45 HE22 GLN 45 -6.889 -8.675 -0.019 385 H GLU 46 HN GLU 46 -8.829 -0.939 -1.264 386 HA GLU 46 HA GLU 46 -8.040 -1.363 -4.055 387 1HB GLU 46 HB2 GLU 46 -9.249 1.050 -2.694 388 2HB GLU 46 HB1 GLU 46 -8.822 0.964 -4.399 389 1HG GLU 46 HG2 GLU 46 -10.478 -0.667 -4.830 390 2HG GLU 46 HG1 GLU 46 -10.749 -0.944 -3.111 391 H LEU 47 HN LEU 47 -6.629 0.452 -4.940 392 HA LEU 47 HA LEU 47 -4.286 0.522 -3.206 393 1HB LEU 47 HB2 LEU 47 -4.628 0.996 -6.166 394 2HB LEU 47 HB1 LEU 47 -3.116 1.268 -5.328 395 HG LEU 47 HG LEU 47 -2.931 -0.840 -6.370 396 1HD1 LEU 47 HD11 LEU 47 -2.707 -2.400 -4.496 397 2HD1 LEU 47 HD12 LEU 47 -3.598 -1.276 -3.469 398 3HD1 LEU 47 HD13 LEU 47 -2.032 -0.812 -4.135 399 1HD2 LEU 47 HD21 LEU 47 -4.543 -2.658 -6.064 400 2HD2 LEU 47 HD22 LEU 47 -5.265 -1.257 -6.853 401 3HD2 LEU 47 HD23 LEU 47 -5.585 -1.569 -5.147 402 H ASN 48 HN ASN 48 -2.881 2.482 -3.369 403 HA ASN 48 HA ASN 48 -4.444 4.960 -3.582 404 1HB ASN 48 HB2 ASN 48 -4.350 4.673 -1.246 405 2HB ASN 48 HB1 ASN 48 -2.701 4.061 -1.298 406 1HD2 ASN 48 HD21 ASN 48 -4.710 6.921 -1.479 407 2HD2 ASN 48 HD22 ASN 48 -3.435 8.060 -1.194 408 H ASN 49 HN ASN 49 -1.148 3.682 -3.186 409 HA ASN 49 HA ASN 49 0.070 5.980 -4.352 410 1HB ASN 49 HB2 ASN 49 1.286 4.648 -2.721 411 2HB ASN 49 HB1 ASN 49 1.173 3.226 -3.752 412 1HD2 ASN 49 HD21 ASN 49 3.400 2.998 -3.769 413 2HD2 ASN 49 HD22 ASN 49 4.434 4.035 -4.699 414 H GLN 50 HN GLN 50 -0.340 6.434 -6.417 415 HA GLN 50 HA GLN 50 0.199 4.334 -8.410 416 1HB GLN 50 HB2 GLN 50 -2.229 4.913 -8.268 417 2HB GLN 50 HB1 GLN 50 -1.823 6.575 -8.672 418 1HG GLN 50 HG2 GLN 50 -0.842 5.722 -10.807 419 2HG GLN 50 HG1 GLN 50 -1.514 4.142 -10.409 420 1HE2 GLN 50 HE21 GLN 50 -3.922 5.278 -9.179 421 2HE2 GLN 50 HE22 GLN 50 -4.893 5.845 -10.495 422 H LYS 51 HN LYS 51 1.213 7.150 -7.074 423 HA LYS 51 HA LYS 51 2.041 8.430 -9.564 424 1HB LYS 51 HB2 LYS 51 2.786 10.279 -7.949 425 2HB LYS 51 HB1 LYS 51 1.062 10.018 -8.157 426 1HG LYS 51 HG2 LYS 51 1.486 10.385 -5.840 427 2HG LYS 51 HG1 LYS 51 1.067 8.688 -6.054 428 1HD LYS 51 HD2 LYS 51 2.865 8.634 -4.572 429 2HD LYS 51 HD1 LYS 51 3.603 8.280 -6.131 430 1HE LYS 51 HE2 LYS 51 3.557 11.000 -4.824 431 2HE LYS 51 HE1 LYS 51 4.906 9.873 -4.743 432 1HZ LYS 51 HZ1 LYS 51 4.796 9.975 -7.297 433 2HZ LYS 51 HZ2 LYS 51 5.492 11.267 -6.460 434 3HZ LYS 51 HZ3 LYS 51 3.913 11.406 -7.061 435 H ASP 52 HN ASP 52 3.292 5.972 -8.240 436 HA ASP 52 HA ASP 52 5.852 6.868 -7.296 437 1HB ASP 52 HB2 ASP 52 4.432 4.604 -6.866 438 2HB ASP 52 HB1 ASP 52 5.539 4.039 -8.115 439 H ASP 53 HN ASP 53 7.822 5.556 -8.318 440 HA ASP 53 HA ASP 53 7.949 6.545 -11.068 441 1HB ASP 53 HB2 ASP 53 10.067 5.722 -9.081 442 2HB ASP 53 HB1 ASP 53 10.442 6.039 -10.771 443 HA PRO 54 HA PRO 54 7.797 2.550 -12.910 444 1HB PRO 54 HB2 PRO 54 9.684 3.404 -14.976 445 2HB PRO 54 HB1 PRO 54 7.965 3.036 -15.116 446 1HG PRO 54 HG2 PRO 54 8.933 5.547 -15.343 447 2HG PRO 54 HG1 PRO 54 7.330 5.200 -14.669 448 1HD PRO 54 HD2 PRO 54 9.888 5.838 -13.245 449 2HD PRO 54 HD1 PRO 54 8.235 6.402 -12.904 450 H ILE 55 HN ILE 55 8.929 1.343 -11.335 451 HA ILE 55 HA ILE 55 11.079 -0.145 -12.371 452 HB ILE 55 HB ILE 55 12.331 1.934 -11.787 453 1HG1 ILE 55 HG12 ILE 55 14.199 0.786 -10.679 454 2HG1 ILE 55 HG11 ILE 55 13.119 -0.519 -10.198 455 1HG2 ILE 55 HG21 ILE 55 11.660 1.186 -8.946 456 2HG2 ILE 55 HG22 ILE 55 11.100 2.617 -9.813 457 3HG2 ILE 55 HG23 ILE 55 12.812 2.427 -9.437 458 1HD1 ILE 55 HD11 ILE 55 13.847 0.233 -13.018 459 2HD1 ILE 55 HD12 ILE 55 12.742 -1.060 -12.553 460 3HD1 ILE 55 HD13 ILE 55 14.448 -1.157 -12.115 461 H ASN 56 HN ASN 56 8.491 -0.364 -11.067 462 HA ASN 56 HA ASN 56 8.997 -2.387 -9.157 463 1HB ASN 56 HB2 ASN 56 7.668 -1.146 -7.299 464 2HB ASN 56 HB1 ASN 56 9.386 -0.839 -7.479 465 1HD2 ASN 56 HD21 ASN 56 6.669 0.469 -9.380 466 2HD2 ASN 56 HD22 ASN 56 6.997 2.126 -8.985 467 H TYR 57 HN TYR 57 7.656 -3.709 -10.172 468 HA TYR 57 HA TYR 57 4.809 -3.060 -10.171 469 1HB TYR 57 HB2 TYR 57 6.298 -4.056 -12.622 470 2HB TYR 57 HB1 TYR 57 4.552 -3.880 -12.493 471 HD1 TYR 57 HD2 TYR 57 7.744 -2.077 -12.783 472 HD2 TYR 57 HD1 TYR 57 3.507 -1.713 -12.641 473 HE1 TYR 57 HE2 TYR 57 7.930 0.249 -13.557 474 HE2 TYR 57 HE1 TYR 57 3.675 0.613 -13.419 475 HH TYR 57 HH TYR 57 5.275 2.419 -13.492 476 H THR 58 HN THR 58 3.472 -4.987 -10.412 477 HA THR 58 HA THR 58 4.280 -7.229 -8.982 478 HB THR 58 HB THR 58 2.206 -7.437 -11.129 479 HG1 THR 58 HG1 THR 58 0.812 -6.186 -9.984 480 1HG2 THR 58 HG21 THR 58 2.327 -8.392 -8.267 481 2HG2 THR 58 HG22 THR 58 2.622 -9.375 -9.699 482 3HG2 THR 58 HG23 THR 58 1.015 -8.713 -9.401 483 H GLU 59 HN GLU 59 5.298 -9.123 -9.515 484 HA GLU 59 HA GLU 59 6.696 -9.280 -11.959 485 1HB GLU 59 HB2 GLU 59 7.095 -11.692 -11.299 486 2HB GLU 59 HB1 GLU 59 7.637 -10.474 -10.162 487 1HG GLU 59 HG2 GLU 59 6.694 -12.114 -8.831 488 2HG GLU 59 HG1 GLU 59 5.433 -10.889 -8.942 489 H SER 60 HN SER 60 3.581 -10.485 -10.937 490 HA SER 60 HA SER 60 2.948 -11.963 -13.242 491 1HB SER 60 HB2 SER 60 1.618 -12.029 -11.146 492 2HB SER 60 HB1 SER 60 1.085 -10.376 -11.448 493 HG SER 60 HG SER 60 -0.383 -11.140 -12.735 494 H GLU 61 HN GLU 61 2.650 -8.521 -12.429 495 HA GLU 61 HA GLU 61 1.303 -7.819 -14.840 496 1HB GLU 61 HB2 GLU 61 2.576 -6.352 -12.606 497 2HB GLU 61 HB1 GLU 61 2.485 -5.491 -14.135 498 1HG GLU 61 HG2 GLU 61 0.586 -4.998 -12.690 499 2HG GLU 61 HG1 GLU 61 0.087 -5.772 -14.190 500 H LEU 62 HN LEU 62 4.680 -7.832 -13.836 501 HA LEU 62 HA LEU 62 5.712 -6.657 -16.184 502 1HB LEU 62 HB2 LEU 62 6.989 -8.420 -14.099 503 2HB LEU 62 HB1 LEU 62 7.885 -7.655 -15.398 504 HG LEU 62 HG LEU 62 6.285 -6.146 -13.331 505 1HD1 LEU 62 HD11 LEU 62 9.256 -6.626 -13.492 506 2HD1 LEU 62 HD12 LEU 62 8.161 -7.260 -12.262 507 3HD1 LEU 62 HD13 LEU 62 8.453 -5.520 -12.375 508 1HD2 LEU 62 HD21 LEU 62 6.503 -4.938 -15.410 509 2HD2 LEU 62 HD22 LEU 62 8.238 -5.248 -15.441 510 3HD2 LEU 62 HD23 LEU 62 7.552 -4.214 -14.188 511 H LYS 63 HN LYS 63 4.973 -10.002 -15.342 512 HA LYS 63 HA LYS 63 6.129 -11.057 -17.751 513 1HB LYS 63 HB2 LYS 63 4.449 -12.189 -15.551 514 2HB LYS 63 HB1 LYS 63 4.565 -13.068 -17.070 515 1HG LYS 63 HG2 LYS 63 6.975 -13.165 -16.866 516 2HG LYS 63 HG1 LYS 63 6.907 -12.202 -15.392 517 1HD LYS 63 HD2 LYS 63 5.571 -14.885 -15.698 518 2HD LYS 63 HD1 LYS 63 7.192 -14.665 -15.036 519 1HE LYS 63 HE2 LYS 63 6.155 -13.082 -13.365 520 2HE LYS 63 HE1 LYS 63 4.586 -13.650 -13.933 521 1HZ LYS 63 HZ1 LYS 63 5.444 -14.797 -11.928 522 2HZ LYS 63 HZ2 LYS 63 6.701 -15.440 -12.869 523 3HZ LYS 63 HZ3 LYS 63 5.090 -15.846 -13.215 524 H GLY 64 HN GLY 64 3.227 -9.483 -16.941 525 1HA GLY 64 HA2 GLY 64 1.928 -10.359 -19.420 526 2HA GLY 64 HA1 GLY 64 1.166 -9.444 -18.125 527 H MET 65 HN MET 65 4.319 -8.531 -19.174 528 HA MET 65 HA MET 65 3.167 -6.219 -20.586 529 1HB MET 65 HB2 MET 65 5.595 -6.405 -18.812 530 2HB MET 65 HB1 MET 65 5.350 -5.066 -19.922 531 1HG MET 65 HG2 MET 65 3.271 -4.497 -18.783 532 2HG MET 65 HG1 MET 65 3.509 -5.849 -17.676 533 1HE MET 65 HE1 MET 65 4.163 -2.754 -15.383 534 2HE MET 65 HE2 MET 65 3.218 -4.224 -15.623 535 3HE MET 65 HE3 MET 65 2.998 -2.846 -16.703 536 H ASN 66 HN ASN 66 4.484 -5.278 -22.227 537 HA ASN 66 HA ASN 66 5.661 -7.190 -23.998 538 1HB ASN 66 HB2 ASN 66 4.381 -5.275 -24.829 539 2HB ASN 66 HB1 ASN 66 5.518 -4.162 -24.084 540 1HD2 ASN 66 HD21 ASN 66 5.985 -3.157 -25.990 541 2HD2 ASN 66 HD22 ASN 66 6.929 -3.895 -27.242 542 H LYS 67 HN LYS 67 7.840 -7.227 -24.735 543 HA LYS 67 HA LYS 67 9.855 -7.113 -22.848 544 1HB LYS 67 HB2 LYS 67 9.992 -6.919 -25.855 545 2HB LYS 67 HB1 LYS 67 11.426 -7.026 -24.845 546 1HG LYS 67 HG2 LYS 67 10.760 -9.178 -24.030 547 2HG LYS 67 HG1 LYS 67 9.215 -9.065 -24.877 548 1HD LYS 67 HD2 LYS 67 11.935 -9.123 -26.185 549 2HD LYS 67 HD1 LYS 67 10.825 -10.489 -26.073 550 1HE LYS 67 HE2 LYS 67 9.172 -9.257 -27.385 551 2HE LYS 67 HE1 LYS 67 10.269 -7.879 -27.479 552 1HZ LYS 67 HZ1 LYS 67 10.707 -10.576 -28.647 553 2HZ LYS 67 HZ2 LYS 67 11.863 -9.335 -28.642 554 3HZ LYS 67 HZ3 LYS 67 10.410 -9.138 -29.493 555 H ALA 68 HN ALA 68 8.991 -4.663 -25.253 556 HA ALA 68 HA ALA 68 11.075 -2.876 -24.793 557 1HB ALA 68 HB1 ALA 68 9.591 -2.730 -26.720 558 2HB ALA 68 HB2 ALA 68 9.668 -1.194 -25.856 559 3HB ALA 68 HB3 ALA 68 8.263 -2.242 -25.668 560 H GLU 69 HN GLU 69 8.133 -3.401 -22.985 561 HA GLU 69 HA GLU 69 8.152 -0.972 -21.538 562 1HB GLU 69 HB2 GLU 69 7.040 -3.648 -20.674 563 2HB GLU 69 HB1 GLU 69 6.631 -2.082 -19.985 564 1HG GLU 69 HG2 GLU 69 5.981 -3.114 -22.730 565 2HG GLU 69 HG1 GLU 69 4.862 -2.712 -21.429 566 H HIS 70 HN HIS 70 9.488 -4.187 -20.863 567 HA HIS 70 HA HIS 70 10.599 -3.655 -18.351 568 1HB HIS 70 HB2 HIS 70 11.489 -5.523 -20.560 569 2HB HIS 70 HB1 HIS 70 12.279 -5.465 -18.988 570 HD1 HIS 70 HD1 HIS 70 11.121 -6.607 -17.052 571 HD2 HIS 70 HD2 HIS 70 8.844 -6.567 -20.526 572 HE1 HIS 70 HE1 HIS 70 9.199 -8.155 -16.613 573 HE2 HIS 70 HE2 HIS 70 7.733 -7.966 -18.650 574 H GLU 71 HN GLU 71 11.850 -3.166 -21.591 575 HA GLU 71 HA GLU 71 14.440 -2.361 -20.885 576 1HB GLU 71 HB2 GLU 71 12.924 -1.421 -23.315 577 2HB GLU 71 HB1 GLU 71 14.660 -1.653 -23.149 578 1HG GLU 71 HG2 GLU 71 12.556 -3.813 -23.204 579 2HG GLU 71 HG1 GLU 71 13.701 -3.421 -24.485 580 H SER 72 HN SER 72 11.482 -0.483 -21.511 581 HA SER 72 HA SER 72 12.775 2.031 -21.147 582 1HB SER 72 HB2 SER 72 10.367 2.884 -21.070 583 2HB SER 72 HB1 SER 72 10.866 2.049 -22.541 584 HG SER 72 HG SER 72 9.281 0.736 -22.192 585 H ILE 73 HN ILE 73 10.892 -0.093 -19.026 586 HA ILE 73 HA ILE 73 10.573 1.608 -16.839 587 HB ILE 73 HB ILE 73 11.009 -1.379 -16.917 588 1HG1 ILE 73 HG12 ILE 73 8.514 0.255 -16.386 589 2HG1 ILE 73 HG11 ILE 73 8.926 -0.467 -17.938 590 1HG2 ILE 73 HG21 ILE 73 10.233 -1.454 -14.598 591 2HG2 ILE 73 HG22 ILE 73 10.210 0.309 -14.548 592 3HG2 ILE 73 HG23 ILE 73 11.739 -0.549 -14.745 593 1HD1 ILE 73 HD11 ILE 73 8.406 -1.959 -15.376 594 2HD1 ILE 73 HD12 ILE 73 8.825 -2.690 -16.926 595 3HD1 ILE 73 HD13 ILE 73 7.302 -1.817 -16.746 596 H ILE 74 HN ILE 74 13.244 -0.686 -17.453 597 HA ILE 74 HA ILE 74 14.645 0.272 -15.138 598 HB ILE 74 HB ILE 74 16.007 -1.413 -17.200 599 1HG1 ILE 74 HG12 ILE 74 13.911 -2.381 -15.233 600 2HG1 ILE 74 HG11 ILE 74 13.749 -2.381 -16.985 601 1HG2 ILE 74 HG21 ILE 74 17.208 -0.681 -15.203 602 2HG2 ILE 74 HG22 ILE 74 16.963 -2.429 -15.181 603 3HG2 ILE 74 HG23 ILE 74 15.946 -1.382 -14.185 604 1HD1 ILE 74 HD11 ILE 74 15.599 -3.981 -17.139 605 2HD1 ILE 74 HD12 ILE 74 14.257 -4.597 -16.178 606 3HD1 ILE 74 HD13 ILE 74 15.713 -4.002 -15.380 607 H SER 75 HN SER 75 14.543 1.100 -18.483 608 HA SER 75 HA SER 75 16.945 2.574 -18.644 609 1HB SER 75 HB2 SER 75 15.648 2.111 -20.655 610 2HB SER 75 HB1 SER 75 14.279 3.024 -20.021 611 HG SER 75 HG SER 75 16.287 3.933 -21.474 612 H ASN 76 HN ASN 76 13.722 3.342 -17.427 613 HA ASN 76 HA ASN 76 14.232 6.048 -16.765 614 1HB ASN 76 HB2 ASN 76 12.181 4.029 -15.961 615 2HB ASN 76 HB1 ASN 76 12.338 5.490 -14.993 616 1HD2 ASN 76 HD21 ASN 76 11.541 4.207 -18.144 617 2HD2 ASN 76 HD22 ASN 76 10.734 5.623 -18.723 618 H LEU 77 HN LEU 77 14.713 3.005 -15.065 619 HA LEU 77 HA LEU 77 15.509 3.991 -12.570 620 1HB LEU 77 HB2 LEU 77 15.142 1.605 -13.010 621 2HB LEU 77 HB1 LEU 77 16.548 1.574 -14.055 622 HG LEU 77 HG LEU 77 17.965 2.155 -12.086 623 1HD1 LEU 77 HD11 LEU 77 15.409 1.694 -10.555 624 2HD1 LEU 77 HD12 LEU 77 16.276 3.223 -10.709 625 3HD1 LEU 77 HD13 LEU 77 17.016 1.874 -9.848 626 1HD2 LEU 77 HD21 LEU 77 17.765 -0.143 -12.836 627 2HD2 LEU 77 HD22 LEU 77 16.310 -0.356 -11.865 628 3HD2 LEU 77 HD23 LEU 77 17.862 -0.079 -11.075 629 H GLY 78 HN GLY 78 17.230 3.731 -15.603 630 1HA GLY 78 HA2 GLY 78 18.980 5.353 -16.053 631 2HA GLY 78 HA1 GLY 78 19.478 5.192 -14.373 632 H ARG 79 HN ARG 79 18.584 2.258 -15.819 633 HA ARG 79 HA ARG 79 21.245 1.701 -16.841 634 1HB ARG 79 HB2 ARG 79 21.400 1.092 -14.469 635 2HB ARG 79 HB1 ARG 79 19.993 0.050 -14.637 636 1HG ARG 79 HG2 ARG 79 21.182 -1.441 -16.075 637 2HG ARG 79 HG1 ARG 79 22.561 -0.338 -16.158 638 1HD ARG 79 HD2 ARG 79 22.928 -0.635 -13.755 639 2HD ARG 79 HD1 ARG 79 21.565 -1.751 -13.689 640 HE ARG 79 HE ARG 79 23.760 -2.389 -15.510 641 1HH1 ARG 79 HH11 ARG 79 22.161 -3.002 -12.455 642 2HH1 ARG 79 HH12 ARG 79 22.876 -4.579 -12.258 643 1HH2 ARG 79 HH21 ARG 79 24.698 -4.432 -15.264 644 2HH2 ARG 79 HH22 ARG 79 24.289 -5.415 -13.882 645 H ASN 80 HN ASN 80 20.371 1.488 -18.839 646 HA ASN 80 HA ASN 80 18.111 0.016 -19.587 647 1HB ASN 80 HB2 ASN 80 19.306 1.630 -21.049 648 2HB ASN 80 HB1 ASN 80 20.664 0.519 -21.143 649 1HD2 ASN 80 HD21 ASN 80 20.621 0.213 -23.302 650 2HD2 ASN 80 HD22 ASN 80 19.322 -0.577 -24.135 651 HA PRO 81 HA PRO 81 19.085 -4.221 -18.671 652 1HB PRO 81 HB2 PRO 81 17.694 -4.594 -21.295 653 2HB PRO 81 HB1 PRO 81 17.470 -5.459 -19.769 654 1HG PRO 81 HG2 PRO 81 15.753 -3.571 -20.524 655 2HG PRO 81 HG1 PRO 81 16.230 -3.747 -18.827 656 1HD PRO 81 HD2 PRO 81 17.002 -1.671 -20.801 657 2HD PRO 81 HD1 PRO 81 16.858 -1.559 -19.038 658 H SER 82 HN SER 82 21.329 -3.796 -19.064 659 HA SER 82 HA SER 82 22.481 -4.268 -21.639 660 1HB SER 82 HB2 SER 82 23.575 -2.808 -20.003 661 2HB SER 82 HB1 SER 82 23.740 -4.162 -18.887 662 HG SER 82 HG SER 82 25.302 -5.016 -20.100 663 H ASP 83 HN ASP 83 22.288 -6.202 -22.507 664 HA ASP 83 HA ASP 83 22.444 -8.425 -22.878 665 1HB ASP 83 HB2 ASP 83 24.835 -7.865 -22.550 666 2HB ASP 83 HB1 ASP 83 24.681 -8.276 -20.845 667 H PHE 84 HN PHE 84 20.325 -8.220 -21.510 668 HA PHE 84 HA PHE 84 20.518 -10.391 -19.535 669 1HB PHE 84 HB2 PHE 84 18.426 -8.208 -19.754 670 2HB PHE 84 HB1 PHE 84 18.300 -9.595 -18.680 671 HD1 PHE 84 HD1 PHE 84 20.914 -9.860 -17.531 672 HD2 PHE 84 HD2 PHE 84 18.746 -6.317 -18.460 673 HE1 PHE 84 HE1 PHE 84 22.148 -8.654 -15.787 674 HE2 PHE 84 HE2 PHE 84 19.987 -5.098 -16.718 675 HZ PHE 84 HZ PHE 84 21.694 -6.267 -15.381 676 H LYS 85 HN LYS 85 20.027 -12.228 -20.502 677 HA LYS 85 HA LYS 85 18.215 -12.160 -22.810 678 1HB LYS 85 HB2 LYS 85 20.480 -13.111 -23.133 679 2HB LYS 85 HB1 LYS 85 20.126 -14.327 -21.915 680 1HG LYS 85 HG2 LYS 85 19.913 -15.193 -24.188 681 2HG LYS 85 HG1 LYS 85 18.386 -15.262 -23.307 682 1HD LYS 85 HD2 LYS 85 17.533 -13.375 -24.478 683 2HD LYS 85 HD1 LYS 85 19.113 -13.014 -25.178 684 1HE LYS 85 HE2 LYS 85 17.482 -15.490 -25.733 685 2HE LYS 85 HE1 LYS 85 17.577 -14.080 -26.788 686 1HZ LYS 85 HZ1 LYS 85 19.811 -15.892 -26.043 687 2HZ LYS 85 HZ2 LYS 85 19.997 -14.461 -26.931 688 3HZ LYS 85 HZ3 LYS 85 19.086 -15.744 -27.568 689 H ASN 86 HN ASN 86 18.696 -13.554 -19.657 690 HA ASN 86 HA ASN 86 16.531 -15.408 -19.802 691 1HB ASN 86 HB2 ASN 86 18.360 -15.731 -18.221 692 2HB ASN 86 HB1 ASN 86 17.972 -14.211 -17.425 693 1HD2 ASN 86 HD21 ASN 86 17.723 -15.260 -15.462 694 2HD2 ASN 86 HD22 ASN 86 16.326 -16.221 -15.103 695 H ALA 87 HN ALA 87 14.435 -15.010 -19.654 696 HA ALA 87 HA ALA 87 13.360 -12.429 -19.565 697 1HB ALA 87 HB1 ALA 87 11.187 -13.522 -19.391 698 2HB ALA 87 HB2 ALA 87 11.974 -15.043 -18.969 699 3HB ALA 87 HB3 ALA 87 12.209 -14.342 -20.570 700 H ASP 88 HN ASP 88 13.685 -14.878 -17.043 701 HA ASP 88 HA ASP 88 12.282 -13.472 -15.043 702 1HB ASP 88 HB2 ASP 88 14.372 -15.640 -14.867 703 2HB ASP 88 HB1 ASP 88 13.567 -14.973 -13.453 704 H GLU 89 HN GLU 89 15.507 -13.155 -16.270 705 HA GLU 89 HA GLU 89 16.697 -11.997 -13.968 706 1HB GLU 89 HB2 GLU 89 17.992 -12.980 -15.843 707 2HB GLU 89 HB1 GLU 89 17.481 -11.649 -16.869 708 1HG GLU 89 HG2 GLU 89 19.735 -11.301 -16.060 709 2HG GLU 89 HG1 GLU 89 18.644 -10.072 -15.427 710 H ARG 90 HN ARG 90 15.120 -10.624 -16.836 711 HA ARG 90 HA ARG 90 15.576 -7.910 -16.222 712 1HB ARG 90 HB2 ARG 90 13.139 -9.015 -17.623 713 2HB ARG 90 HB1 ARG 90 13.777 -7.384 -17.743 714 1HG ARG 90 HG2 ARG 90 15.828 -8.354 -18.794 715 2HG ARG 90 HG1 ARG 90 14.995 -9.910 -18.828 716 1HD ARG 90 HD2 ARG 90 13.120 -8.672 -20.059 717 2HD ARG 90 HD1 ARG 90 14.289 -7.373 -20.279 718 HE ARG 90 HE ARG 90 14.564 -10.098 -21.360 719 1HH1 ARG 90 HH11 ARG 90 15.247 -6.666 -21.515 720 2HH1 ARG 90 HH12 ARG 90 16.190 -6.800 -22.963 721 1HH2 ARG 90 HH21 ARG 90 15.757 -10.271 -23.275 722 2HH2 ARG 90 HH22 ARG 90 16.477 -8.849 -23.967 723 H ILE 91 HN ILE 91 12.968 -10.124 -15.396 724 HA ILE 91 HA ILE 91 11.350 -8.242 -14.022 725 HB ILE 91 HB ILE 91 11.435 -11.234 -13.597 726 1HG1 ILE 91 HG12 ILE 91 9.726 -9.691 -15.559 727 2HG1 ILE 91 HG11 ILE 91 11.195 -10.550 -16.010 728 1HG2 ILE 91 HG21 ILE 91 10.162 -10.044 -11.914 729 2HG2 ILE 91 HG22 ILE 91 9.075 -10.942 -12.973 730 3HG2 ILE 91 HG23 ILE 91 9.253 -9.197 -13.166 731 1HD1 ILE 91 HD11 ILE 91 10.177 -12.644 -15.236 732 2HD1 ILE 91 HD12 ILE 91 9.248 -11.874 -16.522 733 3HD1 ILE 91 HD13 ILE 91 8.700 -11.763 -14.849 734 H ALA 92 HN ALA 92 13.819 -10.551 -13.017 735 HA ALA 92 HA ALA 92 13.532 -10.194 -10.241 736 1HB ALA 92 HB1 ALA 92 15.703 -11.283 -10.049 737 2HB ALA 92 HB2 ALA 92 15.967 -11.082 -11.781 738 3HB ALA 92 HB3 ALA 92 14.670 -12.128 -11.202 739 H TYR 93 HN TYR 93 15.451 -8.462 -12.664 740 HA TYR 93 HA TYR 93 16.960 -6.984 -10.762 741 1HB TYR 93 HB2 TYR 93 17.556 -7.240 -13.206 742 2HB TYR 93 HB1 TYR 93 16.280 -6.077 -13.565 743 HD1 TYR 93 HD2 TYR 93 19.129 -6.368 -11.167 744 HD2 TYR 93 HD1 TYR 93 17.017 -3.898 -13.914 745 HE1 TYR 93 HE2 TYR 93 20.695 -4.536 -10.717 746 HE2 TYR 93 HE1 TYR 93 18.578 -2.055 -13.461 747 HH TYR 93 HH TYR 93 20.149 -1.327 -11.728 748 H ILE 94 HN ILE 94 13.899 -6.403 -12.425 749 HA ILE 94 HA ILE 94 13.458 -3.816 -11.366 750 HB ILE 94 HB ILE 94 11.429 -5.878 -12.267 751 1HG1 ILE 94 HG12 ILE 94 12.648 -3.527 -13.748 752 2HG1 ILE 94 HG11 ILE 94 13.069 -5.216 -14.006 753 1HG2 ILE 94 HG21 ILE 94 9.891 -3.982 -12.507 754 2HG2 ILE 94 HG22 ILE 94 11.112 -2.905 -11.830 755 3HG2 ILE 94 HG23 ILE 94 10.413 -4.182 -10.835 756 1HD1 ILE 94 HD11 ILE 94 11.571 -4.427 -15.737 757 2HD1 ILE 94 HD12 ILE 94 10.384 -3.957 -14.519 758 3HD1 ILE 94 HD13 ILE 94 10.779 -5.659 -14.754 759 H LEU 95 HN LEU 95 12.412 -7.048 -10.291 760 HA LEU 95 HA LEU 95 11.058 -6.234 -7.963 761 1HB LEU 95 HB2 LEU 95 12.500 -8.817 -8.571 762 2HB LEU 95 HB1 LEU 95 11.467 -8.571 -7.178 763 HG LEU 95 HG LEU 95 10.567 -8.449 -10.058 764 1HD1 LEU 95 HD11 LEU 95 11.179 -10.704 -9.352 765 2HD1 LEU 95 HD12 LEU 95 9.439 -10.548 -9.580 766 3HD1 LEU 95 HD13 LEU 95 10.118 -10.554 -7.951 767 1HD2 LEU 95 HD21 LEU 95 8.987 -8.326 -7.494 768 2HD2 LEU 95 HD22 LEU 95 8.313 -8.375 -9.123 769 3HD2 LEU 95 HD23 LEU 95 9.263 -6.984 -8.602 770 H LYS 96 HN LYS 96 14.440 -6.999 -8.560 771 HA LYS 96 HA LYS 96 15.357 -7.026 -5.912 772 1HB LYS 96 HB2 LYS 96 16.619 -7.803 -7.934 773 2HB LYS 96 HB1 LYS 96 16.883 -6.119 -8.357 774 1HG LYS 96 HG2 LYS 96 18.839 -7.041 -7.286 775 2HG LYS 96 HG1 LYS 96 18.115 -5.796 -6.265 776 1HD LYS 96 HD2 LYS 96 17.132 -7.451 -4.835 777 2HD LYS 96 HD1 LYS 96 17.609 -8.750 -5.930 778 1HE LYS 96 HE2 LYS 96 19.514 -6.945 -4.450 779 2HE LYS 96 HE1 LYS 96 19.059 -8.568 -3.938 780 1HZ LYS 96 HZ1 LYS 96 20.000 -9.440 -5.982 781 2HZ LYS 96 HZ2 LYS 96 21.166 -8.562 -5.122 782 3HZ LYS 96 HZ3 LYS 96 20.430 -7.883 -6.487 783 H GLN 97 HN GLN 97 14.818 -4.412 -8.189 784 HA GLN 97 HA GLN 97 16.094 -2.419 -6.597 785 1HB GLN 97 HB2 GLN 97 14.902 -2.573 -9.186 786 2HB GLN 97 HB1 GLN 97 14.192 -1.214 -8.323 787 1HG GLN 97 HG2 GLN 97 16.121 -0.512 -9.606 788 2HG GLN 97 HG1 GLN 97 16.412 -0.320 -7.881 789 1HE2 GLN 97 HE21 GLN 97 16.539 -3.395 -9.568 790 2HE2 GLN 97 HE22 GLN 97 18.243 -3.625 -9.397 791 H ILE 98 HN ILE 98 12.956 -3.852 -6.645 792 HA ILE 98 HA ILE 98 11.626 -1.823 -5.127 793 HB ILE 98 HB ILE 98 10.931 -4.763 -5.292 794 1HG1 ILE 98 HG12 ILE 98 9.930 -2.494 -7.025 795 2HG1 ILE 98 HG11 ILE 98 11.112 -3.694 -7.533 796 1HG2 ILE 98 HG21 ILE 98 9.240 -2.357 -4.624 797 2HG2 ILE 98 HG22 ILE 98 9.810 -3.575 -3.482 798 3HG2 ILE 98 HG23 ILE 98 8.666 -4.019 -4.749 799 1HD1 ILE 98 HD11 ILE 98 9.445 -5.452 -7.247 800 2HD1 ILE 98 HD12 ILE 98 8.911 -4.218 -8.389 801 3HD1 ILE 98 HD13 ILE 98 8.262 -4.242 -6.749 802 H ASP 99 HN ASP 99 13.348 -4.799 -4.410 803 HA ASP 99 HA ASP 99 12.877 -4.745 -1.594 804 1HB ASP 99 HB2 ASP 99 13.434 -6.803 -2.909 805 2HB ASP 99 HB1 ASP 99 15.065 -6.178 -3.120 806 H ASN 100 HN ASN 100 15.254 -3.395 -3.744 807 HA ASN 100 HA ASN 100 16.913 -2.457 -1.523 808 1HB ASN 100 HB2 ASN 100 17.260 -2.463 -4.513 809 2HB ASN 100 HB1 ASN 100 18.283 -1.470 -3.484 810 1HD2 ASN 100 HD21 ASN 100 17.077 -4.556 -2.420 811 2HD2 ASN 100 HD22 ASN 100 18.586 -5.400 -2.490 812 H LYS 101 HN LYS 101 14.122 -1.502 -2.508 813 HA LYS 101 HA LYS 101 14.715 1.329 -2.921 814 1HB LYS 101 HB2 LYS 101 13.055 0.238 -4.384 815 2HB LYS 101 HB1 LYS 101 12.077 -0.149 -2.977 816 1HG LYS 101 HG2 LYS 101 11.810 2.265 -2.542 817 2HG LYS 101 HG1 LYS 101 12.700 2.601 -4.030 818 1HD LYS 101 HD2 LYS 101 11.021 1.399 -5.321 819 2HD LYS 101 HD1 LYS 101 10.142 1.012 -3.842 820 1HE LYS 101 HE2 LYS 101 9.906 3.480 -3.454 821 2HE LYS 101 HE1 LYS 101 10.572 3.731 -5.067 822 1HZ LYS 101 HZ1 LYS 101 8.744 2.356 -5.942 823 2HZ LYS 101 HZ2 LYS 101 8.197 3.769 -5.187 824 3HZ LYS 101 HZ3 LYS 101 8.077 2.279 -4.386 825 H GLY 102 HN GLY 102 14.954 2.523 -1.171 826 1HA GLY 102 HA2 GLY 102 13.586 3.365 0.802 827 2HA GLY 102 HA1 GLY 102 13.598 1.677 1.304 828 H GLU 103 HN GLU 103 15.569 4.508 0.748 829 HA GLU 103 HA GLU 103 18.055 3.380 1.414 830 1HB GLU 103 HB2 GLU 103 17.106 6.243 1.490 831 2HB GLU 103 HB1 GLU 103 18.776 5.762 1.752 832 1HG GLU 103 HG2 GLU 103 18.625 6.470 -0.483 833 2HG GLU 103 HG1 GLU 103 18.716 4.711 -0.530 834 H LEU 104 HN LEU 104 18.343 2.381 3.291 835 HA LEU 104 HA LEU 104 17.317 3.451 5.768 836 1HB LEU 104 HB2 LEU 104 17.789 0.940 5.038 837 2HB LEU 104 HB1 LEU 104 19.385 1.294 5.669 838 HG LEU 104 HG LEU 104 16.824 1.547 7.263 839 1HD1 LEU 104 HD11 LEU 104 17.534 -0.507 8.372 840 2HD1 LEU 104 HD12 LEU 104 18.904 -0.635 7.269 841 3HD1 LEU 104 HD13 LEU 104 17.258 -0.770 6.649 842 1HD2 LEU 104 HD21 LEU 104 19.721 1.624 8.117 843 2HD2 LEU 104 HD22 LEU 104 18.325 1.664 9.195 844 3HD2 LEU 104 HD23 LEU 104 18.614 2.995 8.075 845 H GLU 105 HN GLU 105 18.374 5.514 5.447 846 HA GLU 105 HA GLU 105 21.267 5.505 5.951 847 1HB GLU 105 HB2 GLU 105 20.588 6.685 3.923 848 2HB GLU 105 HB1 GLU 105 19.458 7.666 4.841 849 1HG GLU 105 HG2 GLU 105 21.466 8.910 4.281 850 2HG GLU 105 HG1 GLU 105 21.297 8.720 6.024 851 H HIS 106 HN HIS 106 22.099 7.069 7.441 852 HA HIS 106 HA HIS 106 20.713 7.137 9.917 853 1HB HIS 106 HB2 HIS 106 23.117 8.769 9.061 854 2HB HIS 106 HB1 HIS 106 22.599 8.463 10.714 855 HD1 HIS 106 HD1 HIS 106 24.074 6.681 7.725 856 HD2 HIS 106 HD2 HIS 106 23.556 6.137 11.819 857 HE1 HIS 106 HE1 HIS 106 25.430 4.649 8.319 858 HE2 HIS 106 HE2 HIS 106 25.309 4.507 10.830 859 H HIS 107 HN HIS 107 20.009 9.008 11.072 860 HA HIS 107 HA HIS 107 18.354 10.740 9.622 861 1HB HIS 107 HB2 HIS 107 19.447 10.894 12.432 862 2HB HIS 107 HB1 HIS 107 18.330 12.097 11.792 863 HD1 HIS 107 HD1 HIS 107 16.069 11.636 12.657 864 HD2 HIS 107 HD2 HIS 107 18.127 8.125 11.795 865 HE1 HIS 107 HE1 HIS 107 14.455 9.766 13.136 866 HE2 HIS 107 HE2 HIS 107 15.659 7.670 12.421 867 H HIS 108 HN HIS 108 18.670 12.638 8.632 868 HA HIS 108 HA HIS 108 21.413 13.322 8.120 869 1HB HIS 108 HB2 HIS 108 18.818 14.360 6.990 870 2HB HIS 108 HB1 HIS 108 20.387 15.014 6.532 871 HD1 HIS 108 HD1 HIS 108 18.043 12.960 5.105 872 HD2 HIS 108 HD2 HIS 108 22.094 12.420 5.889 873 HE1 HIS 108 HE1 HIS 108 18.814 11.171 3.515 874 HE2 HIS 108 HE2 HIS 108 21.307 11.012 3.867 875 H HIS 109 HN HIS 109 21.728 13.957 10.409 876 HA HIS 109 HA HIS 109 20.852 16.662 11.031 877 1HB HIS 109 HB2 HIS 109 20.997 14.877 12.798 878 2HB HIS 109 HB1 HIS 109 22.744 14.875 12.587 879 HD1 HIS 109 HD1 HIS 109 23.463 15.801 14.809 880 HD2 HIS 109 HD2 HIS 109 20.548 18.136 12.969 881 HE1 HIS 109 HE1 HIS 109 23.300 17.902 16.185 882 HE2 HIS 109 HE2 HIS 109 21.660 19.368 14.954 883 H HIS 110 HN HIS 110 22.895 15.593 8.894 884 HA HIS 110 HA HIS 110 25.237 17.169 9.520 885 1HB HIS 110 HB2 HIS 110 24.444 15.291 7.369 886 2HB HIS 110 HB1 HIS 110 25.592 16.550 6.925 887 HD1 HIS 110 HD1 HIS 110 27.975 16.244 7.628 888 HD2 HIS 110 HD2 HIS 110 25.408 13.518 9.441 889 HE1 HIS 110 HE1 HIS 110 29.460 14.589 8.804 890 HE2 HIS 110 HE2 HIS 110 27.893 12.841 9.719 891 H HIS 111 HN HIS 111 22.359 18.182 8.951 892 HA HIS 111 HA HIS 111 23.127 20.286 7.052 893 1HB HIS 111 HB2 HIS 111 20.458 19.124 7.810 894 2HB HIS 111 HB1 HIS 111 20.561 20.748 7.141 895 HD1 HIS 111 HD1 HIS 111 20.459 20.888 4.687 896 HD2 HIS 111 HD2 HIS 111 21.692 17.132 5.972 897 HE1 HIS 111 HE1 HIS 111 20.647 19.489 2.606 898 HE2 HIS 111 HE2 HIS 111 21.634 17.309 3.392 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -4.055 -0.934 1.874 2 2H MET 1 HT2 MET 1 -4.818 -2.390 1.467 3 3H MET 1 HT3 MET 1 -5.061 -1.702 3.001 4 HA MET 1 HA MET 1 -6.205 0.151 2.067 5 1HB MET 1 HB2 MET 1 -5.028 0.389 -0.017 6 2HB MET 1 HB1 MET 1 -5.563 -1.195 -0.561 7 1HG MET 1 HG2 MET 1 -6.768 0.658 -1.640 8 2HG MET 1 HG1 MET 1 -7.829 -0.429 -0.745 9 1HE MET 1 HE1 MET 1 -9.779 1.356 -0.833 10 2HE MET 1 HE2 MET 1 -8.736 2.450 -1.742 11 3HE MET 1 HE3 MET 1 -9.595 3.032 -0.316 12 H PHE 2 HN PHE 2 -7.871 -0.594 3.240 13 HA PHE 2 HA PHE 2 -9.628 -2.556 1.908 14 1HB PHE 2 HB2 PHE 2 -9.359 -2.120 4.894 15 2HB PHE 2 HB1 PHE 2 -10.382 -3.309 4.097 16 HD1 PHE 2 HD2 PHE 2 -9.155 -5.049 2.606 17 HD2 PHE 2 HD1 PHE 2 -7.257 -2.726 5.624 18 HE1 PHE 2 HE2 PHE 2 -7.324 -6.691 2.712 19 HE2 PHE 2 HE1 PHE 2 -5.421 -4.362 5.735 20 HZ PHE 2 HZ PHE 2 -5.453 -6.348 4.278 21 H THR 3 HN THR 3 -11.482 -1.659 1.283 22 HA THR 3 HA THR 3 -12.517 0.621 2.827 23 HB THR 3 HB THR 3 -11.614 1.524 0.782 24 HG1 THR 3 HG1 THR 3 -13.327 2.711 0.394 25 1HG2 THR 3 HG21 THR 3 -11.574 -0.517 -0.542 26 2HG2 THR 3 HG22 THR 3 -12.365 0.792 -1.421 27 3HG2 THR 3 HG23 THR 3 -13.333 -0.479 -0.673 28 H ALA 4 HN ALA 4 -14.774 0.775 2.996 29 HA ALA 4 HA ALA 4 -16.204 -1.691 2.244 30 1HB ALA 4 HB1 ALA 4 -17.556 -1.434 4.249 31 2HB ALA 4 HB2 ALA 4 -16.668 0.028 4.678 32 3HB ALA 4 HB3 ALA 4 -15.844 -1.531 4.660 33 H LYS 5 HN LYS 5 -18.081 -1.510 1.202 34 HA LYS 5 HA LYS 5 -19.127 1.198 0.714 35 1HB LYS 5 HB2 LYS 5 -18.077 0.289 -1.278 36 2HB LYS 5 HB1 LYS 5 -18.996 -1.198 -1.124 37 1HG LYS 5 HG2 LYS 5 -21.067 0.084 -1.524 38 2HG LYS 5 HG1 LYS 5 -20.085 1.530 -1.777 39 1HD LYS 5 HD2 LYS 5 -18.934 0.429 -3.632 40 2HD LYS 5 HD1 LYS 5 -19.905 -1.022 -3.378 41 1HE LYS 5 HE2 LYS 5 -21.933 0.260 -3.870 42 2HE LYS 5 HE1 LYS 5 -20.952 1.701 -4.140 43 1HZ LYS 5 HZ1 LYS 5 -19.808 0.445 -5.933 44 2HZ LYS 5 HZ2 LYS 5 -21.449 0.735 -6.237 45 3HZ LYS 5 HZ3 LYS 5 -20.941 -0.804 -5.737 46 H LEU 6 HN LEU 6 -21.063 1.478 1.637 47 HA LEU 6 HA LEU 6 -22.716 -0.640 2.552 48 1HB LEU 6 HB2 LEU 6 -22.653 2.147 2.820 49 2HB LEU 6 HB1 LEU 6 -24.168 1.813 2.008 50 HG LEU 6 HG LEU 6 -23.279 0.964 4.736 51 1HD1 LEU 6 HD11 LEU 6 -25.417 1.928 5.394 52 2HD1 LEU 6 HD12 LEU 6 -25.756 2.319 3.707 53 3HD1 LEU 6 HD13 LEU 6 -24.406 3.093 4.539 54 1HD2 LEU 6 HD21 LEU 6 -24.124 -1.064 3.685 55 2HD2 LEU 6 HD22 LEU 6 -25.587 -0.207 3.193 56 3HD2 LEU 6 HD23 LEU 6 -25.251 -0.471 4.904 57 H ILE 7 HN ILE 7 -24.245 -1.796 1.486 58 HA ILE 7 HA ILE 7 -24.943 -0.885 -1.234 59 HB ILE 7 HB ILE 7 -25.134 -3.212 -1.920 60 1HG1 ILE 7 HG12 ILE 7 -24.003 -3.990 0.767 61 2HG1 ILE 7 HG11 ILE 7 -25.726 -4.041 0.406 62 1HG2 ILE 7 HG21 ILE 7 -22.758 -3.807 -1.862 63 2HG2 ILE 7 HG22 ILE 7 -22.498 -2.587 -0.612 64 3HG2 ILE 7 HG23 ILE 7 -23.009 -2.099 -2.229 65 1HD1 ILE 7 HD11 ILE 7 -23.599 -5.584 -1.058 66 2HD1 ILE 7 HD12 ILE 7 -25.335 -5.667 -1.344 67 3HD1 ILE 7 HD13 ILE 7 -24.665 -6.230 0.188 68 H LYS 8 HN LYS 8 -26.185 -1.162 1.755 69 HA LYS 8 HA LYS 8 -28.873 -1.778 0.756 70 1HB LYS 8 HB2 LYS 8 -27.924 -3.804 1.811 71 2HB LYS 8 HB1 LYS 8 -27.669 -2.899 3.293 72 1HG LYS 8 HG2 LYS 8 -30.068 -2.599 3.545 73 2HG LYS 8 HG1 LYS 8 -30.345 -3.456 2.027 74 1HD LYS 8 HD2 LYS 8 -29.305 -5.464 2.979 75 2HD LYS 8 HD1 LYS 8 -29.041 -4.604 4.496 76 1HE LYS 8 HE2 LYS 8 -31.453 -4.330 4.764 77 2HE LYS 8 HE1 LYS 8 -31.722 -5.167 3.235 78 1HZ LYS 8 HZ1 LYS 8 -30.722 -7.154 4.182 79 2HZ LYS 8 HZ2 LYS 8 -32.032 -6.642 5.130 80 3HZ LYS 8 HZ3 LYS 8 -30.444 -6.348 5.648 81 H GLY 9 HN GLY 9 -30.187 -0.143 1.214 82 1HA GLY 9 HA2 GLY 9 -31.377 1.163 2.816 83 2HA GLY 9 HA1 GLY 9 -29.938 1.177 3.825 84 H LYS 10 HN LYS 10 -29.129 3.141 3.979 85 HA LYS 10 HA LYS 10 -28.531 4.680 1.624 86 1HB LYS 10 HB2 LYS 10 -30.803 5.472 2.003 87 2HB LYS 10 HB1 LYS 10 -30.445 5.776 3.700 88 1HG LYS 10 HG2 LYS 10 -28.688 7.403 2.921 89 2HG LYS 10 HG1 LYS 10 -29.352 7.220 1.300 90 1HD LYS 10 HD2 LYS 10 -30.953 8.097 3.697 91 2HD LYS 10 HD1 LYS 10 -30.194 9.207 2.557 92 1HE LYS 10 HE2 LYS 10 -31.505 8.127 0.738 93 2HE LYS 10 HE1 LYS 10 -32.346 7.184 1.968 94 1HZ LYS 10 HZ1 LYS 10 -32.316 10.151 1.778 95 2HZ LYS 10 HZ2 LYS 10 -33.121 9.246 2.966 96 3HZ LYS 10 HZ3 LYS 10 -33.611 9.142 1.347 97 H THR 11 HN THR 11 -28.806 4.830 5.182 98 HA THR 11 HA THR 11 -25.987 5.609 5.284 99 HB THR 11 HB THR 11 -28.111 7.185 6.752 100 HG1 THR 11 HG1 THR 11 -27.229 7.364 4.189 101 1HG2 THR 11 HG21 THR 11 -25.153 7.656 6.355 102 2HG2 THR 11 HG22 THR 11 -25.926 7.136 7.854 103 3HG2 THR 11 HG23 THR 11 -26.262 8.739 7.197 104 H TYR 12 HN TYR 12 -24.956 4.510 6.815 105 HA TYR 12 HA TYR 12 -26.366 3.744 9.254 106 1HB TYR 12 HB2 TYR 12 -26.626 1.793 7.804 107 2HB TYR 12 HB1 TYR 12 -24.894 1.772 7.485 108 HD1 TYR 12 HD1 TYR 12 -27.314 1.582 10.323 109 HD2 TYR 12 HD2 TYR 12 -23.529 0.414 8.771 110 HE1 TYR 12 HE1 TYR 12 -26.969 0.131 12.277 111 HE2 TYR 12 HE2 TYR 12 -23.170 -1.039 10.721 112 HH TYR 12 HH TYR 12 -23.924 -1.264 13.005 113 H ASN 13 HN ASN 13 -25.125 3.994 11.005 114 HA ASN 13 HA ASN 13 -22.365 4.832 10.580 115 1HB ASN 13 HB2 ASN 13 -23.942 6.221 11.949 116 2HB ASN 13 HB1 ASN 13 -23.974 4.921 13.136 117 1HD2 ASN 13 HD21 ASN 13 -23.056 6.090 14.776 118 2HD2 ASN 13 HD22 ASN 13 -21.408 6.612 14.755 119 H VAL 14 HN VAL 14 -20.756 3.470 10.829 120 HA VAL 14 HA VAL 14 -21.111 1.086 12.508 121 HB VAL 14 HB VAL 14 -18.983 1.762 10.469 122 1HG1 VAL 14 HG11 VAL 14 -18.000 0.418 12.212 123 2HG1 VAL 14 HG12 VAL 14 -18.233 -0.573 10.770 124 3HG1 VAL 14 HG13 VAL 14 -19.341 -0.724 12.134 125 1HG2 VAL 14 HG21 VAL 14 -19.990 -0.076 9.183 126 2HG2 VAL 14 HG22 VAL 14 -21.119 1.251 9.455 127 3HG2 VAL 14 HG23 VAL 14 -21.246 -0.226 10.411 128 H MET 15 HN MET 15 -20.788 1.812 14.544 129 HA MET 15 HA MET 15 -19.749 2.538 16.417 130 1HB MET 15 HB2 MET 15 -17.242 2.175 14.766 131 2HB MET 15 HB1 MET 15 -17.262 2.495 16.494 132 1HG MET 15 HG2 MET 15 -18.456 0.398 16.869 133 2HG MET 15 HG1 MET 15 -18.439 0.082 15.136 134 1HE MET 15 HE1 MET 15 -15.877 -2.549 16.506 135 2HE MET 15 HE2 MET 15 -17.358 -2.300 15.583 136 3HE MET 15 HE3 MET 15 -17.341 -2.000 17.321 137 H GLY 16 HN GLY 16 -17.415 4.006 14.199 138 1HA GLY 16 HA2 GLY 16 -18.571 6.640 14.859 139 2HA GLY 16 HA1 GLY 16 -16.836 6.362 14.914 140 H ILE 17 HN ILE 17 -17.911 4.496 12.463 141 HA ILE 17 HA ILE 17 -17.202 6.559 10.489 142 HB ILE 17 HB ILE 17 -17.291 3.600 9.935 143 1HG1 ILE 17 HG12 ILE 17 -15.789 3.912 11.853 144 2HG1 ILE 17 HG11 ILE 17 -14.886 3.481 10.408 145 1HG2 ILE 17 HG21 ILE 17 -15.672 4.208 8.182 146 2HG2 ILE 17 HG22 ILE 17 -15.797 5.897 8.676 147 3HG2 ILE 17 HG23 ILE 17 -17.203 5.068 8.010 148 1HD1 ILE 17 HD11 ILE 17 -13.749 5.191 11.691 149 2HD1 ILE 17 HD12 ILE 17 -15.156 6.246 11.559 150 3HD1 ILE 17 HD13 ILE 17 -14.240 5.811 10.116 151 H THR 18 HN THR 18 -19.016 7.486 9.742 152 HA THR 18 HA THR 18 -21.457 5.945 9.503 153 HB THR 18 HB THR 18 -21.096 8.812 8.642 154 HG1 THR 18 HG1 THR 18 -21.103 7.678 11.210 155 1HG2 THR 18 HG21 THR 18 -23.453 8.979 9.262 156 2HG2 THR 18 HG22 THR 18 -23.448 7.293 9.783 157 3HG2 THR 18 HG23 THR 18 -23.217 7.690 8.079 158 H PHE 19 HN PHE 19 -21.928 4.826 7.744 159 HA PHE 19 HA PHE 19 -20.615 5.526 5.208 160 1HB PHE 19 HB2 PHE 19 -21.900 2.959 6.154 161 2HB PHE 19 HB1 PHE 19 -21.323 3.215 4.513 162 HD1 PHE 19 HD2 PHE 19 -18.956 3.344 4.037 163 HD2 PHE 19 HD1 PHE 19 -20.385 2.609 7.973 164 HE1 PHE 19 HE2 PHE 19 -16.717 2.573 4.701 165 HE2 PHE 19 HE1 PHE 19 -18.150 1.834 8.645 166 HZ PHE 19 HZ PHE 19 -16.315 1.817 7.008 167 H ARG 20 HN ARG 20 -21.798 5.608 3.289 168 HA ARG 20 HA ARG 20 -24.719 5.535 3.565 169 1HB ARG 20 HB2 ARG 20 -23.023 7.456 1.987 170 2HB ARG 20 HB1 ARG 20 -24.702 7.156 1.567 171 1HG ARG 20 HG2 ARG 20 -25.198 7.752 4.020 172 2HG ARG 20 HG1 ARG 20 -23.576 8.449 4.019 173 1HD ARG 20 HD2 ARG 20 -25.743 9.153 2.045 174 2HD ARG 20 HD1 ARG 20 -25.379 10.081 3.496 175 HE ARG 20 HE ARG 20 -23.138 10.463 2.526 176 1HH1 ARG 20 HH11 ARG 20 -25.729 9.462 0.376 177 2HH1 ARG 20 HH12 ARG 20 -25.079 10.309 -0.998 178 1HH2 ARG 20 HH21 ARG 20 -22.298 11.581 0.713 179 2HH2 ARG 20 HH22 ARG 20 -23.133 11.494 -0.809 180 H ALA 21 HN ALA 21 -25.817 4.368 2.075 181 HA ALA 21 HA ALA 21 -24.650 2.332 0.634 182 1HB ALA 21 HB1 ALA 21 -26.756 2.144 -0.581 183 2HB ALA 21 HB2 ALA 21 -27.226 3.752 -0.028 184 3HB ALA 21 HB3 ALA 21 -27.037 2.439 1.135 185 H GLY 22 HN GLY 22 -23.323 2.313 -1.038 186 1HA GLY 22 HA2 GLY 22 -22.868 2.789 -3.345 187 2HA GLY 22 HA1 GLY 22 -23.647 4.351 -3.140 188 H VAL 23 HN VAL 23 -22.150 4.586 -0.498 189 HA VAL 23 HA VAL 23 -19.789 5.826 -1.685 190 HB VAL 23 HB VAL 23 -20.847 6.053 1.141 191 1HG1 VAL 23 HG11 VAL 23 -19.377 8.012 1.291 192 2HG1 VAL 23 HG12 VAL 23 -18.762 7.666 -0.325 193 3HG1 VAL 23 HG13 VAL 23 -18.468 6.530 0.991 194 1HG2 VAL 23 HG21 VAL 23 -21.174 7.922 -1.205 195 2HG2 VAL 23 HG22 VAL 23 -21.665 8.266 0.453 196 3HG2 VAL 23 HG23 VAL 23 -22.445 6.964 -0.447 197 H SER 24 HN SER 24 -17.909 4.839 -1.643 198 HA SER 24 HA SER 24 -17.405 2.684 0.255 199 1HB SER 24 HB2 SER 24 -15.679 3.655 -2.037 200 2HB SER 24 HB1 SER 24 -15.506 2.141 -1.149 201 HG SER 24 HG SER 24 -17.132 1.301 -2.228 202 H GLN 25 HN GLN 25 -16.226 3.000 2.041 203 HA GLN 25 HA GLN 25 -14.404 5.308 2.128 204 1HB GLN 25 HB2 GLN 25 -16.367 4.499 4.283 205 2HB GLN 25 HB1 GLN 25 -15.100 5.703 4.491 206 1HG GLN 25 HG2 GLN 25 -16.106 7.073 2.744 207 2HG GLN 25 HG1 GLN 25 -17.362 5.862 2.511 208 1HE2 GLN 25 HE21 GLN 25 -17.569 5.335 5.390 209 2HE2 GLN 25 HE22 GLN 25 -18.442 6.678 6.045 210 H THR 26 HN THR 26 -12.518 5.003 3.255 211 HA THR 26 HA THR 26 -11.589 2.340 3.338 212 HB THR 26 HB THR 26 -9.536 3.458 4.424 213 HG1 THR 26 HG1 THR 26 -10.120 5.397 5.150 214 1HG2 THR 26 HG21 THR 26 -9.651 2.878 2.058 215 2HG2 THR 26 HG22 THR 26 -8.841 4.429 2.279 216 3HG2 THR 26 HG23 THR 26 -10.513 4.379 1.719 217 H VAL 27 HN VAL 27 -11.352 0.930 4.941 218 HA VAL 27 HA VAL 27 -12.058 1.822 7.669 219 HB VAL 27 HB VAL 27 -13.014 -0.418 8.082 220 1HG1 VAL 27 HG11 VAL 27 -15.081 -0.101 6.810 221 2HG1 VAL 27 HG12 VAL 27 -14.253 1.055 5.768 222 3HG1 VAL 27 HG13 VAL 27 -14.480 1.417 7.479 223 1HG2 VAL 27 HG21 VAL 27 -12.624 -0.832 5.120 224 2HG2 VAL 27 HG22 VAL 27 -13.532 -1.897 6.193 225 3HG2 VAL 27 HG23 VAL 27 -11.794 -1.697 6.413 226 HA PRO 28 HA PRO 28 -8.272 -0.117 9.076 227 1HB PRO 28 HB2 PRO 28 -9.774 -0.740 11.537 228 2HB PRO 28 HB1 PRO 28 -8.327 0.250 11.332 229 1HG PRO 28 HG2 PRO 28 -10.710 1.340 11.895 230 2HG PRO 28 HG1 PRO 28 -9.535 2.151 10.843 231 1HD PRO 28 HD2 PRO 28 -11.995 0.613 10.108 232 2HD PRO 28 HD1 PRO 28 -11.353 2.118 9.414 233 H LYS 29 HN LYS 29 -7.566 -2.271 9.866 234 HA LYS 29 HA LYS 29 -8.872 -4.293 8.400 235 1HB LYS 29 HB2 LYS 29 -7.254 -5.845 9.391 236 2HB LYS 29 HB1 LYS 29 -6.481 -4.384 8.796 237 1HG LYS 29 HG2 LYS 29 -6.323 -3.521 11.059 238 2HG LYS 29 HG1 LYS 29 -7.153 -4.952 11.675 239 1HD LYS 29 HD2 LYS 29 -4.769 -5.196 12.000 240 2HD LYS 29 HD1 LYS 29 -5.322 -6.354 10.787 241 1HE LYS 29 HE2 LYS 29 -4.596 -4.737 9.028 242 2HE LYS 29 HE1 LYS 29 -3.896 -3.742 10.306 243 1HZ LYS 29 HZ1 LYS 29 -3.113 -6.500 9.546 244 2HZ LYS 29 HZ2 LYS 29 -2.545 -5.716 10.936 245 3HZ LYS 29 HZ3 LYS 29 -2.177 -5.091 9.400 246 H LYS 30 HN LYS 30 -9.117 -3.332 11.758 247 HA LYS 30 HA LYS 30 -10.494 -5.590 12.731 248 1HB LYS 30 HB2 LYS 30 -10.617 -2.686 13.551 249 2HB LYS 30 HB1 LYS 30 -11.455 -3.968 14.413 250 1HG LYS 30 HG2 LYS 30 -9.336 -5.046 14.911 251 2HG LYS 30 HG1 LYS 30 -8.477 -3.797 14.006 252 1HD LYS 30 HD2 LYS 30 -9.248 -2.102 15.563 253 2HD LYS 30 HD1 LYS 30 -10.197 -3.307 16.436 254 1HE LYS 30 HE2 LYS 30 -8.151 -4.499 17.022 255 2HE LYS 30 HE1 LYS 30 -7.197 -3.313 16.133 256 1HZ LYS 30 HZ1 LYS 30 -7.239 -2.924 18.546 257 2HZ LYS 30 HZ2 LYS 30 -8.916 -2.677 18.471 258 3HZ LYS 30 HZ3 LYS 30 -7.863 -1.614 17.668 259 H LEU 31 HN LEU 31 -11.754 -2.502 11.483 260 HA LEU 31 HA LEU 31 -14.463 -3.324 11.531 261 1HB LEU 31 HB2 LEU 31 -13.094 -1.096 10.034 262 2HB LEU 31 HB1 LEU 31 -14.830 -1.341 10.039 263 HG LEU 31 HG LEU 31 -13.110 -0.688 12.433 264 1HD1 LEU 31 HD11 LEU 31 -15.224 0.901 10.988 265 2HD1 LEU 31 HD12 LEU 31 -13.489 1.204 10.951 266 3HD1 LEU 31 HD13 LEU 31 -14.385 1.396 12.457 267 1HD2 LEU 31 HD21 LEU 31 -14.933 -2.207 13.029 268 2HD2 LEU 31 HD22 LEU 31 -16.091 -1.121 12.262 269 3HD2 LEU 31 HD23 LEU 31 -15.197 -0.594 13.688 270 H TYR 32 HN TYR 32 -11.896 -3.703 9.222 271 HA TYR 32 HA TYR 32 -13.391 -4.296 6.932 272 1HB TYR 32 HB2 TYR 32 -10.957 -4.003 6.862 273 2HB TYR 32 HB1 TYR 32 -10.740 -5.467 7.815 274 HD1 TYR 32 HD1 TYR 32 -12.242 -4.306 4.601 275 HD2 TYR 32 HD2 TYR 32 -10.367 -7.484 6.718 276 HE1 TYR 32 HE1 TYR 32 -12.169 -5.633 2.532 277 HE2 TYR 32 HE2 TYR 32 -10.288 -8.819 4.655 278 HH TYR 32 HH TYR 32 -11.399 -8.972 2.511 279 H GLU 33 HN GLU 33 -12.247 -6.431 9.540 280 HA GLU 33 HA GLU 33 -13.567 -8.734 8.475 281 1HB GLU 33 HB2 GLU 33 -12.438 -8.165 11.216 282 2HB GLU 33 HB1 GLU 33 -13.088 -9.723 10.726 283 1HG GLU 33 HG2 GLU 33 -11.397 -9.897 8.985 284 2HG GLU 33 HG1 GLU 33 -10.748 -8.322 9.453 285 H TYR 34 HN TYR 34 -14.335 -6.312 10.903 286 HA TYR 34 HA TYR 34 -16.632 -7.457 11.990 287 1HB TYR 34 HB2 TYR 34 -15.510 -5.494 12.949 288 2HB TYR 34 HB1 TYR 34 -16.000 -4.527 11.563 289 HD1 TYR 34 HD1 TYR 34 -17.295 -6.395 14.494 290 HD2 TYR 34 HD2 TYR 34 -18.111 -3.482 11.504 291 HE1 TYR 34 HE1 TYR 34 -19.374 -5.788 15.660 292 HE2 TYR 34 HE2 TYR 34 -20.191 -2.868 12.660 293 HH TYR 34 HH TYR 34 -21.783 -3.868 14.234 294 H LEU 35 HN LEU 35 -16.310 -5.253 9.211 295 HA LEU 35 HA LEU 35 -19.135 -5.391 8.659 296 1HB LEU 35 HB2 LEU 35 -16.867 -4.184 7.080 297 2HB LEU 35 HB1 LEU 35 -18.564 -4.036 6.662 298 HG LEU 35 HG LEU 35 -17.255 -2.957 9.160 299 1HD1 LEU 35 HD11 LEU 35 -18.356 -1.580 6.715 300 2HD1 LEU 35 HD12 LEU 35 -16.661 -1.681 7.193 301 3HD1 LEU 35 HD13 LEU 35 -17.804 -0.769 8.180 302 1HD2 LEU 35 HD21 LEU 35 -20.109 -2.766 8.205 303 2HD2 LEU 35 HD22 LEU 35 -19.430 -1.915 9.591 304 3HD2 LEU 35 HD23 LEU 35 -19.535 -3.676 9.604 305 H ASN 36 HN ASN 36 -16.301 -7.105 7.694 306 HA ASN 36 HA ASN 36 -17.233 -8.306 5.320 307 1HB ASN 36 HB2 ASN 36 -14.885 -8.419 6.120 308 2HB ASN 36 HB1 ASN 36 -15.399 -9.466 7.436 309 1HD2 ASN 36 HD21 ASN 36 -14.162 -11.176 6.848 310 2HD2 ASN 36 HD22 ASN 36 -14.436 -12.111 5.425 311 H GLU 37 HN GLU 37 -17.867 -8.864 8.677 312 HA GLU 37 HA GLU 37 -19.177 -11.403 8.310 313 1HB GLU 37 HB2 GLU 37 -17.935 -10.518 10.399 314 2HB GLU 37 HB1 GLU 37 -19.407 -9.616 10.724 315 1HG GLU 37 HG2 GLU 37 -19.500 -11.596 12.005 316 2HG GLU 37 HG1 GLU 37 -20.645 -11.788 10.679 317 H ASN 38 HN ASN 38 -20.055 -8.394 7.400 318 HA ASN 38 HA ASN 38 -22.901 -8.849 8.004 319 1HB ASN 38 HB2 ASN 38 -21.326 -6.284 8.042 320 2HB ASN 38 HB1 ASN 38 -23.077 -6.281 7.849 321 1HD2 ASN 38 HD21 ASN 38 -20.427 -6.910 10.015 322 2HD2 ASN 38 HD22 ASN 38 -21.382 -7.075 11.450 323 HA PRO 39 HA PRO 39 -22.919 -9.197 3.618 324 1HB PRO 39 HB2 PRO 39 -25.471 -9.978 3.320 325 2HB PRO 39 HB1 PRO 39 -24.245 -11.024 4.047 326 1HG PRO 39 HG2 PRO 39 -26.334 -9.345 5.380 327 2HG PRO 39 HG1 PRO 39 -25.828 -11.003 5.750 328 1HD PRO 39 HD2 PRO 39 -24.966 -8.816 7.138 329 2HD PRO 39 HD1 PRO 39 -24.021 -10.308 6.974 330 H TYR 40 HN TYR 40 -24.108 -6.555 5.138 331 HA TYR 40 HA TYR 40 -25.473 -5.615 2.718 332 1HB TYR 40 HB2 TYR 40 -26.184 -3.666 4.268 333 2HB TYR 40 HB1 TYR 40 -26.997 -5.215 4.416 334 HD1 TYR 40 HD1 TYR 40 -26.472 -6.695 6.344 335 HD2 TYR 40 HD2 TYR 40 -24.954 -2.732 6.079 336 HE1 TYR 40 HE1 TYR 40 -26.013 -6.719 8.756 337 HE2 TYR 40 HE2 TYR 40 -24.480 -2.747 8.493 338 HH TYR 40 HH TYR 40 -24.477 -5.556 10.347 339 H PHE 41 HN PHE 41 -22.533 -5.802 3.706 340 HA PHE 41 HA PHE 41 -21.805 -3.215 2.508 341 1HB PHE 41 HB2 PHE 41 -20.540 -4.659 4.825 342 2HB PHE 41 HB1 PHE 41 -19.585 -3.581 3.816 343 HD1 PHE 41 HD1 PHE 41 -20.070 -1.187 3.760 344 HD2 PHE 41 HD2 PHE 41 -22.130 -3.818 6.394 345 HE1 PHE 41 HE1 PHE 41 -20.809 0.738 5.098 346 HE2 PHE 41 HE2 PHE 41 -22.876 -1.894 7.735 347 HZ PHE 41 HZ PHE 41 -22.215 0.388 7.088 348 H ILE 42 HN ILE 42 -20.810 -3.470 0.602 349 HA ILE 42 HA ILE 42 -19.304 -5.940 0.126 350 HB ILE 42 HB ILE 42 -20.114 -3.699 -1.726 351 1HG1 ILE 42 HG12 ILE 42 -20.706 -6.664 -1.696 352 2HG1 ILE 42 HG11 ILE 42 -21.813 -5.384 -1.223 353 1HG2 ILE 42 HG21 ILE 42 -18.974 -4.907 -3.534 354 2HG2 ILE 42 HG22 ILE 42 -18.308 -6.034 -2.352 355 3HG2 ILE 42 HG23 ILE 42 -17.841 -4.333 -2.311 356 1HD1 ILE 42 HD11 ILE 42 -20.696 -5.820 -3.981 357 2HD1 ILE 42 HD12 ILE 42 -21.805 -4.533 -3.510 358 3HD1 ILE 42 HD13 ILE 42 -22.328 -6.216 -3.442 359 H LEU 43 HN LEU 43 -17.308 -5.921 0.884 360 HA LEU 43 HA LEU 43 -15.872 -3.389 1.085 361 1HB LEU 43 HB2 LEU 43 -15.186 -6.120 2.183 362 2HB LEU 43 HB1 LEU 43 -14.253 -4.660 2.453 363 HG LEU 43 HG LEU 43 -16.485 -3.743 3.461 364 1HD1 LEU 43 HD11 LEU 43 -17.891 -5.609 2.797 365 2HD1 LEU 43 HD12 LEU 43 -17.823 -5.471 4.553 366 3HD1 LEU 43 HD13 LEU 43 -16.885 -6.718 3.729 367 1HD2 LEU 43 HD21 LEU 43 -14.790 -5.784 4.884 368 2HD2 LEU 43 HD22 LEU 43 -15.822 -4.579 5.655 369 3HD2 LEU 43 HD23 LEU 43 -14.426 -4.068 4.706 370 H THR 44 HN THR 44 -13.772 -3.136 0.242 371 HA THR 44 HA THR 44 -13.090 -5.037 -1.899 372 HB THR 44 HB THR 44 -12.919 -2.025 -2.123 373 HG1 THR 44 HG1 THR 44 -15.001 -3.710 -2.464 374 1HG2 THR 44 HG21 THR 44 -11.246 -3.221 -3.463 375 2HG2 THR 44 HG22 THR 44 -12.465 -2.466 -4.491 376 3HG2 THR 44 HG23 THR 44 -12.523 -4.201 -4.185 377 H GLN 45 HN GLN 45 -11.177 -5.893 -1.447 378 HA GLN 45 HA GLN 45 -9.106 -4.211 -0.238 379 1HB GLN 45 HB2 GLN 45 -7.840 -6.377 -0.008 380 2HB GLN 45 HB1 GLN 45 -9.318 -6.276 0.936 381 1HG GLN 45 HG2 GLN 45 -10.466 -7.726 -0.540 382 2HG GLN 45 HG1 GLN 45 -9.181 -7.628 -1.744 383 1HE2 GLN 45 HE21 GLN 45 -8.959 -9.869 -1.771 384 2HE2 GLN 45 HE22 GLN 45 -8.178 -10.729 -0.488 385 H GLU 46 HN GLU 46 -7.592 -3.354 -1.488 386 HA GLU 46 HA GLU 46 -7.395 -4.327 -4.247 387 1HB GLU 46 HB2 GLU 46 -6.443 -1.691 -3.113 388 2HB GLU 46 HB1 GLU 46 -6.486 -2.145 -4.811 389 1HG GLU 46 HG2 GLU 46 -8.963 -2.365 -4.614 390 2HG GLU 46 HG1 GLU 46 -8.835 -1.703 -2.985 391 H LEU 47 HN LEU 47 -5.828 -5.759 -4.510 392 HA LEU 47 HA LEU 47 -3.497 -5.723 -2.791 393 1HB LEU 47 HB2 LEU 47 -4.456 -7.635 -4.909 394 2HB LEU 47 HB1 LEU 47 -2.881 -7.790 -4.160 395 HG LEU 47 HG LEU 47 -4.068 -7.974 -1.935 396 1HD1 LEU 47 HD11 LEU 47 -6.491 -8.331 -3.693 397 2HD1 LEU 47 HD12 LEU 47 -6.202 -6.984 -2.592 398 3HD1 LEU 47 HD13 LEU 47 -6.418 -8.615 -1.954 399 1HD2 LEU 47 HD21 LEU 47 -4.633 -10.065 -4.029 400 2HD2 LEU 47 HD22 LEU 47 -4.677 -10.320 -2.285 401 3HD2 LEU 47 HD23 LEU 47 -3.157 -9.909 -3.078 402 H ASN 48 HN ASN 48 -2.265 -4.001 -3.390 403 HA ASN 48 HA ASN 48 -1.125 -4.137 -6.100 404 1HB ASN 48 HB2 ASN 48 -1.649 -1.717 -4.365 405 2HB ASN 48 HB1 ASN 48 -0.621 -1.670 -5.793 406 1HD2 ASN 48 HD21 ASN 48 -3.034 -0.198 -5.302 407 2HD2 ASN 48 HD22 ASN 48 -4.160 -0.646 -6.549 408 H ASN 49 HN ASN 49 -0.361 -5.412 -3.498 409 HA ASN 49 HA ASN 49 2.195 -4.171 -2.917 410 1HB ASN 49 HB2 ASN 49 2.505 -6.014 -1.301 411 2HB ASN 49 HB1 ASN 49 0.991 -5.158 -1.042 412 1HD2 ASN 49 HD21 ASN 49 1.912 -7.892 -0.346 413 2HD2 ASN 49 HD22 ASN 49 0.698 -8.946 -0.988 414 H GLN 50 HN GLN 50 1.058 -7.286 -4.199 415 HA GLN 50 HA GLN 50 3.343 -7.274 -6.020 416 1HB GLN 50 HB2 GLN 50 2.550 -9.598 -4.253 417 2HB GLN 50 HB1 GLN 50 3.549 -9.783 -5.688 418 1HG GLN 50 HG2 GLN 50 4.231 -8.108 -3.276 419 2HG GLN 50 HG1 GLN 50 4.883 -9.703 -3.645 420 1HE2 GLN 50 HE21 GLN 50 5.046 -9.152 -6.503 421 2HE2 GLN 50 HE22 GLN 50 6.394 -8.092 -6.724 422 H LYS 51 HN LYS 51 1.783 -6.577 -7.523 423 HA LYS 51 HA LYS 51 -0.397 -8.435 -8.128 424 1HB LYS 51 HB2 LYS 51 -0.846 -5.983 -7.870 425 2HB LYS 51 HB1 LYS 51 0.145 -5.698 -9.293 426 1HG LYS 51 HG2 LYS 51 -1.405 -7.019 -10.642 427 2HG LYS 51 HG1 LYS 51 -2.397 -7.309 -9.211 428 1HD LYS 51 HD2 LYS 51 -2.841 -4.936 -9.000 429 2HD LYS 51 HD1 LYS 51 -1.780 -4.593 -10.370 430 1HE LYS 51 HE2 LYS 51 -4.311 -6.230 -10.466 431 2HE LYS 51 HE1 LYS 51 -4.142 -4.565 -11.019 432 1HZ LYS 51 HZ1 LYS 51 -2.528 -5.314 -12.655 433 2HZ LYS 51 HZ2 LYS 51 -4.008 -6.115 -12.857 434 3HZ LYS 51 HZ3 LYS 51 -2.703 -6.918 -12.128 435 H ASP 52 HN ASP 52 2.724 -7.681 -9.093 436 HA ASP 52 HA ASP 52 2.348 -8.681 -11.814 437 1HB ASP 52 HB2 ASP 52 4.686 -7.363 -10.440 438 2HB ASP 52 HB1 ASP 52 4.824 -8.117 -12.027 439 H ASP 53 HN ASP 53 4.441 -10.068 -12.471 440 HA ASP 53 HA ASP 53 3.989 -12.491 -10.924 441 1HB ASP 53 HB2 ASP 53 5.343 -12.109 -13.601 442 2HB ASP 53 HB1 ASP 53 4.955 -13.658 -12.860 443 HA PRO 54 HA PRO 54 8.286 -12.367 -9.561 444 1HB PRO 54 HB2 PRO 54 7.838 -13.280 -7.087 445 2HB PRO 54 HB1 PRO 54 7.445 -11.616 -7.532 446 1HG PRO 54 HG2 PRO 54 5.644 -13.887 -6.996 447 2HG PRO 54 HG1 PRO 54 5.312 -12.150 -6.927 448 1HD PRO 54 HD2 PRO 54 4.754 -14.016 -9.076 449 2HD PRO 54 HD1 PRO 54 4.302 -12.303 -8.953 450 H ILE 55 HN ILE 55 9.532 -14.191 -8.313 451 HA ILE 55 HA ILE 55 10.475 -16.269 -8.497 452 HB ILE 55 HB ILE 55 9.022 -16.379 -6.541 453 1HG1 ILE 55 HG12 ILE 55 8.893 -18.868 -6.384 454 2HG1 ILE 55 HG11 ILE 55 9.278 -18.949 -8.101 455 1HG2 ILE 55 HG21 ILE 55 6.886 -17.560 -6.583 456 2HG2 ILE 55 HG22 ILE 55 6.981 -17.665 -8.342 457 3HG2 ILE 55 HG23 ILE 55 6.841 -16.091 -7.558 458 1HD1 ILE 55 HD11 ILE 55 11.247 -19.341 -6.761 459 2HD1 ILE 55 HD12 ILE 55 11.023 -17.796 -5.940 460 3HD1 ILE 55 HD13 ILE 55 11.411 -17.833 -7.660 461 H ASN 56 HN ASN 56 10.351 -15.868 -10.962 462 HA ASN 56 HA ASN 56 9.763 -18.290 -12.281 463 1HB ASN 56 HB2 ASN 56 7.420 -17.399 -12.037 464 2HB ASN 56 HB1 ASN 56 7.896 -16.012 -13.008 465 1HD2 ASN 56 HD21 ASN 56 8.290 -16.295 -15.222 466 2HD2 ASN 56 HD22 ASN 56 7.741 -17.700 -16.066 467 H TYR 57 HN TYR 57 11.908 -17.939 -12.971 468 HA TYR 57 HA TYR 57 12.209 -15.977 -15.113 469 1HB TYR 57 HB2 TYR 57 14.101 -16.154 -12.753 470 2HB TYR 57 HB1 TYR 57 14.384 -15.201 -14.206 471 HD1 TYR 57 HD1 TYR 57 12.430 -15.471 -11.115 472 HD2 TYR 57 HD2 TYR 57 13.187 -13.128 -14.584 473 HE1 TYR 57 HE1 TYR 57 11.213 -13.593 -10.101 474 HE2 TYR 57 HE2 TYR 57 11.976 -11.238 -13.577 475 HH TYR 57 HH TYR 57 10.292 -10.830 -11.891 476 H THR 58 HN THR 58 14.205 -16.322 -16.367 477 HA THR 58 HA THR 58 14.494 -19.104 -17.000 478 HB THR 58 HB THR 58 16.261 -16.946 -18.093 479 HG1 THR 58 HG1 THR 58 14.253 -16.000 -18.260 480 1HG2 THR 58 HG21 THR 58 16.030 -18.242 -20.161 481 2HG2 THR 58 HG22 THR 58 14.945 -19.364 -19.339 482 3HG2 THR 58 HG23 THR 58 16.633 -19.246 -18.843 483 H GLU 59 HN GLU 59 16.283 -20.456 -16.709 484 HA GLU 59 HA GLU 59 17.919 -19.902 -14.463 485 1HB GLU 59 HB2 GLU 59 19.020 -21.997 -14.908 486 2HB GLU 59 HB1 GLU 59 17.301 -22.196 -15.199 487 1HG GLU 59 HG2 GLU 59 18.005 -23.235 -17.056 488 2HG GLU 59 HG1 GLU 59 18.135 -21.594 -17.688 489 H SER 60 HN SER 60 18.394 -19.592 -17.914 490 HA SER 60 HA SER 60 21.132 -18.806 -17.731 491 1HB SER 60 HB2 SER 60 19.202 -18.230 -19.988 492 2HB SER 60 HB1 SER 60 20.959 -18.349 -20.081 493 HG SER 60 HG SER 60 20.276 -20.631 -19.093 494 H GLU 61 HN GLU 61 18.052 -17.270 -17.431 495 HA GLU 61 HA GLU 61 18.993 -14.581 -17.834 496 1HB GLU 61 HB2 GLU 61 16.707 -15.138 -18.324 497 2HB GLU 61 HB1 GLU 61 16.458 -15.759 -16.704 498 1HG GLU 61 HG2 GLU 61 16.689 -13.505 -15.804 499 2HG GLU 61 HG1 GLU 61 16.927 -12.884 -17.442 500 H LEU 62 HN LEU 62 18.139 -16.591 -15.049 501 HA LEU 62 HA LEU 62 18.664 -14.670 -13.061 502 1HB LEU 62 HB2 LEU 62 18.638 -17.679 -12.988 503 2HB LEU 62 HB1 LEU 62 18.856 -16.690 -11.556 504 HG LEU 62 HG LEU 62 16.433 -16.547 -13.351 505 1HD1 LEU 62 HD11 LEU 62 16.793 -17.965 -10.715 506 2HD1 LEU 62 HD12 LEU 62 16.571 -18.732 -12.287 507 3HD1 LEU 62 HD13 LEU 62 15.270 -17.768 -11.585 508 1HD2 LEU 62 HD21 LEU 62 16.890 -14.502 -12.103 509 2HD2 LEU 62 HD22 LEU 62 16.980 -15.427 -10.603 510 3HD2 LEU 62 HD23 LEU 62 15.454 -15.315 -11.482 511 H LYS 63 HN LYS 63 20.759 -16.990 -14.696 512 HA LYS 63 HA LYS 63 22.999 -16.505 -12.992 513 1HB LYS 63 HB2 LYS 63 22.666 -17.841 -15.659 514 2HB LYS 63 HB1 LYS 63 24.278 -17.480 -15.047 515 1HG LYS 63 HG2 LYS 63 23.619 -18.718 -12.944 516 2HG LYS 63 HG1 LYS 63 22.194 -19.265 -13.824 517 1HD LYS 63 HD2 LYS 63 24.807 -19.641 -15.157 518 2HD LYS 63 HD1 LYS 63 24.493 -20.639 -13.738 519 1HE LYS 63 HE2 LYS 63 23.816 -21.802 -15.761 520 2HE LYS 63 HE1 LYS 63 22.412 -21.433 -14.765 521 1HZ LYS 63 HZ1 LYS 63 21.908 -19.576 -16.203 522 2HZ LYS 63 HZ2 LYS 63 22.002 -21.002 -17.113 523 3HZ LYS 63 HZ3 LYS 63 23.283 -19.882 -17.148 524 H GLY 64 HN GLY 64 21.501 -14.686 -15.401 525 1HA GLY 64 HA2 GLY 64 23.918 -13.047 -15.786 526 2HA GLY 64 HA1 GLY 64 22.498 -13.015 -16.823 527 H MET 65 HN MET 65 22.232 -13.117 -13.363 528 HA MET 65 HA MET 65 21.344 -10.305 -13.361 529 1HB MET 65 HB2 MET 65 20.257 -12.696 -11.884 530 2HB MET 65 HB1 MET 65 19.914 -11.051 -11.375 531 1HG MET 65 HG2 MET 65 18.904 -10.611 -13.576 532 2HG MET 65 HG1 MET 65 19.185 -12.297 -14.014 533 1HE MET 65 HE1 MET 65 16.335 -10.781 -14.079 534 2HE MET 65 HE2 MET 65 15.278 -12.031 -13.425 535 3HE MET 65 HE3 MET 65 16.534 -12.458 -14.588 536 H ASN 66 HN ASN 66 21.070 -9.810 -10.777 537 HA ASN 66 HA ASN 66 23.707 -10.319 -9.576 538 1HB ASN 66 HB2 ASN 66 23.628 -8.009 -10.037 539 2HB ASN 66 HB1 ASN 66 21.936 -7.883 -9.585 540 1HD2 ASN 66 HD21 ASN 66 21.401 -7.389 -7.554 541 2HD2 ASN 66 HD22 ASN 66 22.557 -7.067 -6.295 542 H LYS 67 HN LYS 67 23.658 -10.239 -7.134 543 HA LYS 67 HA LYS 67 22.077 -12.313 -6.193 544 1HB LYS 67 HB2 LYS 67 22.863 -11.578 -3.916 545 2HB LYS 67 HB1 LYS 67 24.132 -11.845 -5.104 546 1HG LYS 67 HG2 LYS 67 24.465 -9.522 -5.407 547 2HG LYS 67 HG1 LYS 67 22.994 -9.126 -4.518 548 1HD LYS 67 HD2 LYS 67 25.397 -10.489 -3.309 549 2HD LYS 67 HD1 LYS 67 25.099 -8.751 -3.233 550 1HE LYS 67 HE2 LYS 67 22.916 -9.249 -2.130 551 2HE LYS 67 HE1 LYS 67 23.390 -10.945 -2.071 552 1HZ LYS 67 HZ1 LYS 67 24.910 -8.723 -0.819 553 2HZ LYS 67 HZ2 LYS 67 25.256 -10.380 -0.691 554 3HZ LYS 67 HZ3 LYS 67 23.844 -9.751 0.005 555 H ALA 68 HN ALA 68 21.486 -8.837 -5.964 556 HA ALA 68 HA ALA 68 19.770 -8.837 -3.768 557 1HB ALA 68 HB1 ALA 68 19.042 -6.639 -4.517 558 2HB ALA 68 HB2 ALA 68 19.765 -6.930 -6.098 559 3HB ALA 68 HB3 ALA 68 20.791 -6.812 -4.667 560 H GLU 69 HN GLU 69 18.940 -8.936 -7.225 561 HA GLU 69 HA GLU 69 16.167 -8.954 -6.881 562 1HB GLU 69 HB2 GLU 69 16.492 -10.408 -9.186 563 2HB GLU 69 HB1 GLU 69 16.417 -8.659 -9.084 564 1HG GLU 69 HG2 GLU 69 18.999 -10.184 -8.920 565 2HG GLU 69 HG1 GLU 69 18.296 -9.642 -10.444 566 H HIS 70 HN HIS 70 18.414 -11.702 -7.190 567 HA HIS 70 HA HIS 70 16.647 -13.810 -7.115 568 1HB HIS 70 HB2 HIS 70 19.363 -13.544 -5.819 569 2HB HIS 70 HB1 HIS 70 18.467 -15.056 -5.852 570 HD1 HIS 70 HD1 HIS 70 18.269 -16.260 -8.145 571 HD2 HIS 70 HD2 HIS 70 20.596 -12.824 -8.201 572 HE1 HIS 70 HE1 HIS 70 19.559 -16.360 -10.295 573 HE2 HIS 70 HE2 HIS 70 21.128 -14.396 -10.183 574 H GLU 71 HN GLU 71 18.077 -12.096 -4.365 575 HA GLU 71 HA GLU 71 16.894 -13.653 -2.366 576 1HB GLU 71 HB2 GLU 71 17.669 -10.748 -2.110 577 2HB GLU 71 HB1 GLU 71 17.570 -11.941 -0.822 578 1HG GLU 71 HG2 GLU 71 19.550 -11.931 -3.089 579 2HG GLU 71 HG1 GLU 71 19.874 -11.487 -1.413 580 H SER 72 HN SER 72 15.862 -10.640 -3.892 581 HA SER 72 HA SER 72 13.595 -10.186 -2.286 582 1HB SER 72 HB2 SER 72 14.017 -9.392 -5.178 583 2HB SER 72 HB1 SER 72 12.899 -8.645 -4.038 584 HG SER 72 HG SER 72 15.468 -8.734 -3.098 585 H ILE 73 HN ILE 73 14.034 -11.909 -5.336 586 HA ILE 73 HA ILE 73 11.416 -12.422 -6.049 587 HB ILE 73 HB ILE 73 13.879 -14.127 -6.420 588 1HG1 ILE 73 HG12 ILE 73 12.430 -12.372 -8.406 589 2HG1 ILE 73 HG11 ILE 73 13.796 -11.820 -7.442 590 1HG2 ILE 73 HG21 ILE 73 12.663 -15.302 -8.184 591 2HG2 ILE 73 HG22 ILE 73 11.200 -14.404 -7.777 592 3HG2 ILE 73 HG23 ILE 73 11.895 -15.533 -6.612 593 1HD1 ILE 73 HD11 ILE 73 15.201 -13.537 -8.461 594 2HD1 ILE 73 HD12 ILE 73 14.500 -12.462 -9.669 595 3HD1 ILE 73 HD13 ILE 73 13.833 -14.078 -9.432 596 H ILE 74 HN ILE 74 13.535 -14.594 -4.141 597 HA ILE 74 HA ILE 74 11.367 -16.441 -3.807 598 HB ILE 74 HB ILE 74 13.709 -16.763 -2.035 599 1HG1 ILE 74 HG12 ILE 74 13.944 -17.027 -5.048 600 2HG1 ILE 74 HG11 ILE 74 14.740 -15.791 -4.081 601 1HG2 ILE 74 HG21 ILE 74 12.009 -18.471 -2.228 602 2HG2 ILE 74 HG22 ILE 74 13.511 -19.071 -2.936 603 3HG2 ILE 74 HG23 ILE 74 12.202 -18.509 -3.983 604 1HD1 ILE 74 HD11 ILE 74 16.006 -17.536 -2.918 605 2HD1 ILE 74 HD12 ILE 74 16.283 -17.562 -4.660 606 3HD1 ILE 74 HD13 ILE 74 15.220 -18.758 -3.919 607 H SER 75 HN SER 75 12.586 -13.751 -2.005 608 HA SER 75 HA SER 75 11.382 -14.425 0.487 609 1HB SER 75 HB2 SER 75 12.155 -11.732 -0.655 610 2HB SER 75 HB1 SER 75 11.651 -12.009 1.015 611 HG SER 75 HG SER 75 14.021 -12.701 -0.290 612 H ASN 76 HN ASN 76 10.205 -13.104 -2.485 613 HA ASN 76 HA ASN 76 7.705 -12.212 -1.345 614 1HB ASN 76 HB2 ASN 76 8.590 -12.530 -4.224 615 2HB ASN 76 HB1 ASN 76 7.030 -11.878 -3.734 616 1HD2 ASN 76 HD21 ASN 76 8.213 -10.544 -1.393 617 2HD2 ASN 76 HD22 ASN 76 9.049 -9.162 -2.011 618 H LEU 77 HN LEU 77 8.990 -15.043 -2.946 619 HA LEU 77 HA LEU 77 6.524 -16.403 -3.301 620 1HB LEU 77 HB2 LEU 77 8.518 -17.138 -4.450 621 2HB LEU 77 HB1 LEU 77 9.335 -17.440 -2.928 622 HG LEU 77 HG LEU 77 7.622 -19.213 -2.452 623 1HD1 LEU 77 HD11 LEU 77 5.865 -18.452 -3.946 624 2HD1 LEU 77 HD12 LEU 77 6.350 -20.101 -4.345 625 3HD1 LEU 77 HD13 LEU 77 6.902 -18.754 -5.340 626 1HD2 LEU 77 HD21 LEU 77 8.652 -20.858 -3.932 627 2HD2 LEU 77 HD22 LEU 77 9.850 -19.756 -3.255 628 3HD2 LEU 77 HD23 LEU 77 9.310 -19.556 -4.922 629 H GLY 78 HN GLY 78 8.804 -16.202 -0.621 630 1HA GLY 78 HA2 GLY 78 7.488 -16.259 1.574 631 2HA GLY 78 HA1 GLY 78 6.985 -17.850 1.013 632 H ARG 79 HN ARG 79 9.004 -19.192 0.234 633 HA ARG 79 HA ARG 79 10.622 -19.651 2.506 634 1HB ARG 79 HB2 ARG 79 10.036 -21.413 0.866 635 2HB ARG 79 HB1 ARG 79 11.047 -20.616 -0.331 636 1HG ARG 79 HG2 ARG 79 13.025 -21.075 0.941 637 2HG ARG 79 HG1 ARG 79 12.068 -21.684 2.295 638 1HD ARG 79 HD2 ARG 79 11.259 -23.517 0.914 639 2HD ARG 79 HD1 ARG 79 12.161 -22.895 -0.464 640 HE ARG 79 HE ARG 79 14.103 -23.260 1.353 641 1HH1 ARG 79 HH11 ARG 79 11.498 -25.329 0.287 642 2HH1 ARG 79 HH12 ARG 79 12.382 -26.807 0.531 643 1HH2 ARG 79 HH21 ARG 79 15.297 -25.178 1.659 644 2HH2 ARG 79 HH22 ARG 79 14.548 -26.713 1.316 645 H ASN 80 HN ASN 80 12.100 -18.288 3.168 646 HA ASN 80 HA ASN 80 13.177 -16.240 1.581 647 1HB ASN 80 HB2 ASN 80 13.875 -17.277 4.317 648 2HB ASN 80 HB1 ASN 80 14.749 -15.938 3.579 649 1HD2 ASN 80 HD21 ASN 80 12.444 -14.863 2.214 650 2HD2 ASN 80 HD22 ASN 80 11.458 -14.118 3.424 651 HA PRO 81 HA PRO 81 16.488 -18.123 -0.550 652 1HB PRO 81 HB2 PRO 81 18.092 -15.959 -0.895 653 2HB PRO 81 HB1 PRO 81 16.574 -16.180 -1.777 654 1HG PRO 81 HG2 PRO 81 17.105 -14.565 0.697 655 2HG PRO 81 HG1 PRO 81 16.210 -14.101 -0.761 656 1HD PRO 81 HD2 PRO 81 14.937 -14.896 1.447 657 2HD PRO 81 HD1 PRO 81 14.346 -15.340 -0.168 658 H SER 82 HN SER 82 16.831 -16.850 2.561 659 HA SER 82 HA SER 82 19.604 -17.043 2.986 660 1HB SER 82 HB2 SER 82 17.416 -17.502 5.024 661 2HB SER 82 HB1 SER 82 19.058 -16.930 5.327 662 HG SER 82 HG SER 82 18.217 -15.016 5.114 663 H ASP 83 HN ASP 83 17.194 -19.414 2.559 664 HA ASP 83 HA ASP 83 18.505 -21.552 3.952 665 1HB ASP 83 HB2 ASP 83 16.064 -21.526 3.521 666 2HB ASP 83 HB1 ASP 83 16.382 -21.654 1.795 667 H PHE 84 HN PHE 84 18.897 -19.995 0.945 668 HA PHE 84 HA PHE 84 20.447 -22.251 -0.145 669 1HB PHE 84 HB2 PHE 84 19.333 -19.902 -1.692 670 2HB PHE 84 HB1 PHE 84 20.002 -21.395 -2.344 671 HD1 PHE 84 HD1 PHE 84 18.750 -23.566 -1.849 672 HD2 PHE 84 HD2 PHE 84 17.053 -19.705 -1.284 673 HE1 PHE 84 HE1 PHE 84 16.499 -24.554 -1.890 674 HE2 PHE 84 HE2 PHE 84 14.799 -20.686 -1.323 675 HZ PHE 84 HZ PHE 84 14.519 -23.114 -1.624 676 H LYS 85 HN LYS 85 22.567 -21.983 0.117 677 HA LYS 85 HA LYS 85 23.625 -19.408 0.847 678 1HB LYS 85 HB2 LYS 85 25.026 -22.063 0.496 679 2HB LYS 85 HB1 LYS 85 25.729 -20.621 1.218 680 1HG LYS 85 HG2 LYS 85 24.062 -20.704 3.004 681 2HG LYS 85 HG1 LYS 85 23.370 -22.160 2.284 682 1HD LYS 85 HD2 LYS 85 24.827 -22.784 4.100 683 2HD LYS 85 HD1 LYS 85 25.554 -23.289 2.574 684 1HE LYS 85 HE2 LYS 85 26.974 -21.279 2.610 685 2HE LYS 85 HE1 LYS 85 26.268 -20.822 4.159 686 1HZ LYS 85 HZ1 LYS 85 27.946 -23.195 3.575 687 2HZ LYS 85 HZ2 LYS 85 27.097 -22.989 5.026 688 3HZ LYS 85 HZ3 LYS 85 28.316 -21.893 4.598 689 H ASN 86 HN ASN 86 23.802 -21.521 -1.962 690 HA ASN 86 HA ASN 86 25.671 -19.628 -3.216 691 1HB ASN 86 HB2 ASN 86 26.357 -22.051 -3.026 692 2HB ASN 86 HB1 ASN 86 25.046 -22.441 -4.133 693 1HD2 ASN 86 HD21 ASN 86 26.349 -23.203 -5.746 694 2HD2 ASN 86 HD22 ASN 86 27.424 -22.199 -6.660 695 H ALA 87 HN ALA 87 25.375 -19.350 -5.600 696 HA ALA 87 HA ALA 87 22.825 -18.257 -6.092 697 1HB ALA 87 HB1 ALA 87 24.890 -17.384 -7.089 698 2HB ALA 87 HB2 ALA 87 23.669 -17.741 -8.311 699 3HB ALA 87 HB3 ALA 87 25.023 -18.844 -8.073 700 H ASP 88 HN ASP 88 24.251 -21.355 -6.925 701 HA ASP 88 HA ASP 88 22.489 -21.998 -9.038 702 1HB ASP 88 HB2 ASP 88 23.309 -24.286 -8.824 703 2HB ASP 88 HB1 ASP 88 24.642 -23.144 -8.735 704 H GLU 89 HN GLU 89 22.442 -22.910 -5.600 705 HA GLU 89 HA GLU 89 20.046 -24.353 -5.633 706 1HB GLU 89 HB2 GLU 89 21.297 -22.698 -3.436 707 2HB GLU 89 HB1 GLU 89 19.939 -23.789 -3.196 708 1HG GLU 89 HG2 GLU 89 22.635 -24.633 -4.232 709 2HG GLU 89 HG1 GLU 89 22.129 -24.740 -2.546 710 H ARG 90 HN ARG 90 20.644 -20.896 -5.273 711 HA ARG 90 HA ARG 90 18.034 -20.023 -4.764 712 1HB ARG 90 HB2 ARG 90 20.335 -18.739 -6.230 713 2HB ARG 90 HB1 ARG 90 18.807 -17.910 -5.992 714 1HG ARG 90 HG2 ARG 90 19.095 -17.893 -3.631 715 2HG ARG 90 HG1 ARG 90 20.488 -18.977 -3.739 716 1HD ARG 90 HD2 ARG 90 21.831 -17.326 -4.735 717 2HD ARG 90 HD1 ARG 90 20.444 -16.308 -5.114 718 HE ARG 90 HE ARG 90 20.311 -15.684 -2.818 719 1HH1 ARG 90 HH11 ARG 90 23.138 -17.611 -3.607 720 2HH1 ARG 90 HH12 ARG 90 24.062 -17.038 -2.257 721 1HH2 ARG 90 HH21 ARG 90 21.541 -14.910 -1.065 722 2HH2 ARG 90 HH22 ARG 90 23.164 -15.508 -0.819 723 H ILE 91 HN ILE 91 19.746 -20.416 -7.835 724 HA ILE 91 HA ILE 91 17.618 -19.589 -9.493 725 HB ILE 91 HB ILE 91 20.027 -21.304 -10.117 726 1HG1 ILE 91 HG12 ILE 91 19.545 -18.363 -10.620 727 2HG1 ILE 91 HG11 ILE 91 20.441 -18.991 -9.240 728 1HG2 ILE 91 HG21 ILE 91 18.288 -21.623 -11.797 729 2HG2 ILE 91 HG22 ILE 91 19.643 -20.706 -12.458 730 3HG2 ILE 91 HG23 ILE 91 18.156 -19.877 -12.002 731 1HD1 ILE 91 HD11 ILE 91 21.181 -19.352 -12.131 732 2HD1 ILE 91 HD12 ILE 91 22.085 -19.964 -10.745 733 3HD1 ILE 91 HD13 ILE 91 21.927 -18.225 -10.997 734 H ALA 92 HN ALA 92 18.737 -22.795 -8.476 735 HA ALA 92 HA ALA 92 17.092 -24.364 -10.073 736 1HB ALA 92 HB1 ALA 92 17.445 -26.133 -8.432 737 2HB ALA 92 HB2 ALA 92 18.042 -24.943 -7.273 738 3HB ALA 92 HB3 ALA 92 18.941 -25.257 -8.758 739 H TYR 93 HN TYR 93 16.428 -22.883 -6.927 740 HA TYR 93 HA TYR 93 13.917 -24.195 -6.608 741 1HB TYR 93 HB2 TYR 93 15.392 -23.215 -4.765 742 2HB TYR 93 HB1 TYR 93 14.736 -21.646 -5.225 743 HD1 TYR 93 HD1 TYR 93 13.700 -25.054 -4.159 744 HD2 TYR 93 HD2 TYR 93 12.716 -20.917 -4.286 745 HE1 TYR 93 HE1 TYR 93 11.753 -25.481 -2.724 746 HE2 TYR 93 HE2 TYR 93 10.765 -21.335 -2.849 747 HH TYR 93 HH TYR 93 9.272 -23.249 -2.276 748 H ILE 94 HN ILE 94 14.924 -21.087 -7.941 749 HA ILE 94 HA ILE 94 12.303 -20.027 -8.232 750 HB ILE 94 HB ILE 94 14.798 -19.364 -9.819 751 1HG1 ILE 94 HG12 ILE 94 13.576 -17.992 -7.408 752 2HG1 ILE 94 HG11 ILE 94 15.028 -18.984 -7.382 753 1HG2 ILE 94 HG21 ILE 94 12.778 -18.672 -10.988 754 2HG2 ILE 94 HG22 ILE 94 13.644 -17.267 -10.367 755 3HG2 ILE 94 HG23 ILE 94 12.202 -17.850 -9.538 756 1HD1 ILE 94 HD11 ILE 94 15.572 -16.612 -7.354 757 2HD1 ILE 94 HD12 ILE 94 14.698 -16.386 -8.868 758 3HD1 ILE 94 HD13 ILE 94 16.156 -17.376 -8.833 759 H LEU 95 HN LEU 95 14.427 -21.888 -10.372 760 HA LEU 95 HA LEU 95 12.664 -21.995 -12.583 761 1HB LEU 95 HB2 LEU 95 15.056 -23.531 -11.696 762 2HB LEU 95 HB1 LEU 95 14.036 -24.257 -12.922 763 HG LEU 95 HG LEU 95 15.946 -23.047 -13.889 764 1HD1 LEU 95 HD11 LEU 95 13.286 -21.768 -14.478 765 2HD1 LEU 95 HD12 LEU 95 13.877 -23.280 -15.166 766 3HD1 LEU 95 HD13 LEU 95 14.695 -21.761 -15.537 767 1HD2 LEU 95 HD21 LEU 95 16.178 -21.306 -12.188 768 2HD2 LEU 95 HD22 LEU 95 14.656 -20.588 -12.713 769 3HD2 LEU 95 HD23 LEU 95 16.041 -20.615 -13.804 770 H LYS 96 HN LYS 96 13.088 -24.040 -9.751 771 HA LYS 96 HA LYS 96 11.381 -26.140 -10.400 772 1HB LYS 96 HB2 LYS 96 12.848 -26.144 -8.439 773 2HB LYS 96 HB1 LYS 96 11.894 -24.864 -7.704 774 1HG LYS 96 HG2 LYS 96 9.942 -26.424 -7.725 775 2HG LYS 96 HG1 LYS 96 11.048 -27.699 -8.241 776 1HD LYS 96 HD2 LYS 96 12.385 -27.337 -6.210 777 2HD LYS 96 HD1 LYS 96 11.247 -26.089 -5.695 778 1HE LYS 96 HE2 LYS 96 10.676 -28.096 -4.542 779 2HE LYS 96 HE1 LYS 96 9.444 -27.822 -5.775 780 1HZ LYS 96 HZ1 LYS 96 9.981 -30.083 -5.898 781 2HZ LYS 96 HZ2 LYS 96 11.647 -29.797 -5.794 782 3HZ LYS 96 HZ3 LYS 96 10.802 -29.383 -7.208 783 H GLN 97 HN GLN 97 10.674 -22.928 -9.161 784 HA GLN 97 HA GLN 97 7.931 -23.563 -8.573 785 1HB GLN 97 HB2 GLN 97 9.755 -21.452 -7.945 786 2HB GLN 97 HB1 GLN 97 8.277 -20.765 -8.607 787 1HG GLN 97 HG2 GLN 97 8.140 -20.925 -6.199 788 2HG GLN 97 HG1 GLN 97 6.961 -21.990 -6.959 789 1HE2 GLN 97 HE21 GLN 97 10.393 -22.692 -6.709 790 2HE2 GLN 97 HE22 GLN 97 10.223 -24.008 -5.602 791 H ILE 98 HN ILE 98 9.572 -22.768 -11.404 792 HA ILE 98 HA ILE 98 7.434 -21.391 -12.718 793 HB ILE 98 HB ILE 98 9.722 -22.987 -13.888 794 1HG1 ILE 98 HG12 ILE 98 9.307 -20.028 -13.424 795 2HG1 ILE 98 HG11 ILE 98 10.529 -21.060 -12.689 796 1HG2 ILE 98 HG21 ILE 98 9.199 -21.858 -16.006 797 2HG2 ILE 98 HG22 ILE 98 7.770 -21.143 -15.260 798 3HG2 ILE 98 HG23 ILE 98 7.876 -22.891 -15.464 799 1HD1 ILE 98 HD11 ILE 98 10.360 -20.211 -15.565 800 2HD1 ILE 98 HD12 ILE 98 11.504 -21.397 -14.945 801 3HD1 ILE 98 HD13 ILE 98 11.565 -19.731 -14.370 802 H ASP 99 HN ASP 99 8.498 -24.754 -12.519 803 HA ASP 99 HA ASP 99 6.341 -25.734 -14.155 804 1HB ASP 99 HB2 ASP 99 8.501 -26.878 -14.146 805 2HB ASP 99 HB1 ASP 99 8.349 -27.190 -12.421 806 H ASN 100 HN ASN 100 6.699 -24.836 -10.934 807 HA ASN 100 HA ASN 100 4.997 -26.609 -9.580 808 1HB ASN 100 HB2 ASN 100 6.496 -25.011 -8.456 809 2HB ASN 100 HB1 ASN 100 5.518 -23.675 -9.044 810 1HD2 ASN 100 HD21 ASN 100 4.194 -26.702 -7.852 811 2HD2 ASN 100 HD22 ASN 100 3.477 -26.034 -6.425 812 H LYS 101 HN LYS 101 4.348 -23.986 -11.744 813 HA LYS 101 HA LYS 101 1.646 -23.496 -11.095 814 1HB LYS 101 HB2 LYS 101 3.323 -23.057 -13.540 815 2HB LYS 101 HB1 LYS 101 1.583 -22.839 -13.637 816 1HG LYS 101 HG2 LYS 101 2.674 -20.723 -13.260 817 2HG LYS 101 HG1 LYS 101 1.704 -21.161 -11.856 818 1HD LYS 101 HD2 LYS 101 3.695 -21.892 -10.676 819 2HD LYS 101 HD1 LYS 101 4.686 -21.552 -12.096 820 1HE LYS 101 HE2 LYS 101 4.116 -19.187 -11.940 821 2HE LYS 101 HE1 LYS 101 3.083 -19.516 -10.551 822 1HZ LYS 101 HZ1 LYS 101 4.981 -20.179 -9.275 823 2HZ LYS 101 HZ2 LYS 101 5.290 -18.647 -9.948 824 3HZ LYS 101 HZ3 LYS 101 6.006 -20.030 -10.617 825 H GLY 102 HN GLY 102 -0.037 -24.791 -11.263 826 1HA GLY 102 HA2 GLY 102 0.044 -26.926 -13.309 827 2HA GLY 102 HA1 GLY 102 -0.620 -27.180 -11.700 828 H GLU 103 HN GLU 103 -1.884 -24.559 -11.590 829 HA GLU 103 HA GLU 103 -4.119 -25.110 -13.430 830 1HB GLU 103 HB2 GLU 103 -4.576 -25.373 -10.985 831 2HB GLU 103 HB1 GLU 103 -4.209 -23.668 -10.772 832 1HG GLU 103 HG2 GLU 103 -6.074 -23.074 -12.218 833 2HG GLU 103 HG1 GLU 103 -6.431 -24.782 -12.469 834 H LEU 104 HN LEU 104 -3.213 -23.867 -15.103 835 HA LEU 104 HA LEU 104 -2.936 -20.987 -14.582 836 1HB LEU 104 HB2 LEU 104 -1.010 -22.044 -15.633 837 2HB LEU 104 HB1 LEU 104 -2.025 -22.681 -16.912 838 HG LEU 104 HG LEU 104 -2.490 -20.358 -17.657 839 1HD1 LEU 104 HD11 LEU 104 -1.084 -18.542 -16.808 840 2HD1 LEU 104 HD12 LEU 104 -0.425 -19.628 -15.585 841 3HD1 LEU 104 HD13 LEU 104 -2.135 -19.199 -15.553 842 1HD2 LEU 104 HD21 LEU 104 0.432 -21.091 -17.508 843 2HD2 LEU 104 HD22 LEU 104 -0.300 -19.971 -18.657 844 3HD2 LEU 104 HD23 LEU 104 -0.723 -21.683 -18.702 845 H GLU 105 HN GLU 105 -4.386 -23.293 -16.846 846 HA GLU 105 HA GLU 105 -6.225 -21.196 -17.747 847 1HB GLU 105 HB2 GLU 105 -5.469 -23.871 -18.906 848 2HB GLU 105 HB1 GLU 105 -6.869 -22.971 -19.473 849 1HG GLU 105 HG2 GLU 105 -5.185 -21.035 -19.795 850 2HG GLU 105 HG1 GLU 105 -3.970 -22.315 -19.727 851 H HIS 106 HN HIS 106 -8.260 -22.995 -18.638 852 HA HIS 106 HA HIS 106 -9.305 -23.868 -16.039 853 1HB HIS 106 HB2 HIS 106 -11.589 -23.153 -16.857 854 2HB HIS 106 HB1 HIS 106 -10.472 -21.854 -16.463 855 HD1 HIS 106 HD1 HIS 106 -12.460 -23.289 -19.235 856 HD2 HIS 106 HD2 HIS 106 -9.515 -20.399 -18.727 857 HE1 HIS 106 HE1 HIS 106 -12.483 -21.920 -21.343 858 HE2 HIS 106 HE2 HIS 106 -10.531 -20.344 -21.105 859 H HIS 107 HN HIS 107 -8.649 -25.980 -16.510 860 HA HIS 107 HA HIS 107 -10.785 -27.341 -17.994 861 1HB HIS 107 HB2 HIS 107 -9.360 -28.884 -19.057 862 2HB HIS 107 HB1 HIS 107 -8.569 -27.337 -19.295 863 HD1 HIS 107 HD1 HIS 107 -7.189 -30.179 -19.414 864 HD2 HIS 107 HD2 HIS 107 -7.045 -27.533 -16.202 865 HE1 HIS 107 HE1 HIS 107 -5.122 -30.789 -18.119 866 HE2 HIS 107 HE2 HIS 107 -5.196 -29.344 -16.061 867 H HIS 108 HN HIS 108 -9.689 -26.611 -15.197 868 HA HIS 108 HA HIS 108 -9.771 -29.269 -13.944 869 1HB HIS 108 HB2 HIS 108 -7.827 -27.724 -13.496 870 2HB HIS 108 HB1 HIS 108 -8.952 -26.598 -12.754 871 HD1 HIS 108 HD1 HIS 108 -7.524 -30.069 -12.229 872 HD2 HIS 108 HD2 HIS 108 -9.465 -27.060 -10.110 873 HE1 HIS 108 HE1 HIS 108 -7.428 -30.765 -9.813 874 HE2 HIS 108 HE2 HIS 108 -8.577 -28.916 -8.540 875 H HIS 109 HN HIS 109 -12.040 -27.628 -15.016 876 HA HIS 109 HA HIS 109 -13.435 -26.721 -12.626 877 1HB HIS 109 HB2 HIS 109 -13.436 -25.283 -14.592 878 2HB HIS 109 HB1 HIS 109 -14.141 -26.565 -15.564 879 HD1 HIS 109 HD1 HIS 109 -16.416 -25.787 -16.138 880 HD2 HIS 109 HD2 HIS 109 -15.481 -25.061 -12.145 881 HE1 HIS 109 HE1 HIS 109 -18.504 -24.839 -15.106 882 HE2 HIS 109 HE2 HIS 109 -17.857 -24.228 -12.749 883 H HIS 110 HN HIS 110 -13.333 -29.524 -14.611 884 HA HIS 110 HA HIS 110 -16.071 -30.255 -13.818 885 1HB HIS 110 HB2 HIS 110 -15.417 -30.073 -16.298 886 2HB HIS 110 HB1 HIS 110 -14.511 -31.558 -16.039 887 HD1 HIS 110 HD1 HIS 110 -15.876 -33.253 -17.254 888 HD2 HIS 110 HD2 HIS 110 -18.192 -30.819 -14.801 889 HE1 HIS 110 HE1 HIS 110 -18.206 -34.200 -17.359 890 HE2 HIS 110 HE2 HIS 110 -19.620 -32.576 -16.047 891 H HIS 111 HN HIS 111 -16.227 -31.684 -12.235 892 HA HIS 111 HA HIS 111 -14.579 -34.071 -12.330 893 1HB HIS 111 HB2 HIS 111 -14.031 -34.038 -9.942 894 2HB HIS 111 HB1 HIS 111 -13.331 -32.653 -10.761 895 HD1 HIS 111 HD1 HIS 111 -14.037 -30.349 -9.988 896 HD2 HIS 111 HD2 HIS 111 -16.101 -33.418 -8.090 897 HE1 HIS 111 HE1 HIS 111 -15.264 -29.262 -8.078 898 HE2 HIS 111 HE2 HIS 111 -16.292 -31.178 -6.807 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -5.294 -1.165 0.525 2 2H MET 1 HT2 MET 1 -4.700 0.360 0.953 3 3H MET 1 HT3 MET 1 -6.204 0.219 0.178 4 HA MET 1 HA MET 1 -5.567 -0.851 2.865 5 1HB MET 1 HB2 MET 1 -7.051 1.631 1.977 6 2HB MET 1 HB1 MET 1 -7.220 0.943 3.586 7 1HG MET 1 HG2 MET 1 -4.871 1.298 4.026 8 2HG MET 1 HG1 MET 1 -4.628 1.889 2.383 9 1HE MET 1 HE1 MET 1 -7.209 3.664 1.896 10 2HE MET 1 HE2 MET 1 -5.577 4.178 1.471 11 3HE MET 1 HE3 MET 1 -6.622 5.249 2.402 12 H PHE 2 HN PHE 2 -8.149 -0.539 3.833 13 HA PHE 2 HA PHE 2 -9.648 -2.394 2.111 14 1HB PHE 2 HB2 PHE 2 -9.687 -2.146 5.128 15 2HB PHE 2 HB1 PHE 2 -10.705 -3.234 4.190 16 HD1 PHE 2 HD2 PHE 2 -9.435 -4.886 2.620 17 HD2 PHE 2 HD1 PHE 2 -7.680 -2.916 5.960 18 HE1 PHE 2 HE2 PHE 2 -7.680 -6.610 2.709 19 HE2 PHE 2 HE1 PHE 2 -5.919 -4.634 6.054 20 HZ PHE 2 HZ PHE 2 -5.919 -6.483 4.426 21 H THR 3 HN THR 3 -11.629 -1.808 1.472 22 HA THR 3 HA THR 3 -12.809 0.579 2.726 23 HB THR 3 HB THR 3 -13.826 1.010 0.418 24 HG1 THR 3 HG1 THR 3 -11.838 -0.921 -0.209 25 1HG2 THR 3 HG21 THR 3 -12.071 2.416 1.377 26 2HG2 THR 3 HG22 THR 3 -11.837 2.220 -0.360 27 3HG2 THR 3 HG23 THR 3 -10.839 1.306 0.771 28 H ALA 4 HN ALA 4 -14.908 0.479 3.258 29 HA ALA 4 HA ALA 4 -16.411 -1.914 2.427 30 1HB ALA 4 HB1 ALA 4 -16.617 -0.431 5.049 31 2HB ALA 4 HB2 ALA 4 -15.843 -1.998 4.807 32 3HB ALA 4 HB3 ALA 4 -17.583 -1.828 4.569 33 H LYS 5 HN LYS 5 -18.026 -1.425 1.128 34 HA LYS 5 HA LYS 5 -19.134 1.288 1.245 35 1HB LYS 5 HB2 LYS 5 -18.157 0.799 -0.904 36 2HB LYS 5 HB1 LYS 5 -19.033 -0.722 -1.009 37 1HG LYS 5 HG2 LYS 5 -21.074 0.350 -1.403 38 2HG LYS 5 HG1 LYS 5 -20.462 1.906 -0.843 39 1HD LYS 5 HD2 LYS 5 -20.676 1.834 -3.284 40 2HD LYS 5 HD1 LYS 5 -19.004 2.064 -2.776 41 1HE LYS 5 HE2 LYS 5 -18.566 -0.312 -3.147 42 2HE LYS 5 HE1 LYS 5 -20.241 -0.544 -3.644 43 1HZ LYS 5 HZ1 LYS 5 -18.830 -0.330 -5.569 44 2HZ LYS 5 HZ2 LYS 5 -18.226 1.152 -5.013 45 3HZ LYS 5 HZ3 LYS 5 -19.848 1.024 -5.470 46 H LEU 6 HN LEU 6 -21.046 1.505 2.084 47 HA LEU 6 HA LEU 6 -22.678 -0.665 2.889 48 1HB LEU 6 HB2 LEU 6 -22.547 1.614 3.954 49 2HB LEU 6 HB1 LEU 6 -23.426 2.249 2.581 50 HG LEU 6 HG LEU 6 -25.381 0.933 3.206 51 1HD1 LEU 6 HD11 LEU 6 -23.731 -0.029 5.518 52 2HD1 LEU 6 HD12 LEU 6 -24.299 -1.010 4.166 53 3HD1 LEU 6 HD13 LEU 6 -25.458 -0.310 5.295 54 1HD2 LEU 6 HD21 LEU 6 -25.903 2.072 5.311 55 2HD2 LEU 6 HD22 LEU 6 -25.189 3.139 4.104 56 3HD2 LEU 6 HD23 LEU 6 -24.206 2.542 5.439 57 H ILE 7 HN ILE 7 -23.908 -1.871 1.575 58 HA ILE 7 HA ILE 7 -24.627 -0.712 -1.034 59 HB ILE 7 HB ILE 7 -24.858 -3.044 -1.825 60 1HG1 ILE 7 HG12 ILE 7 -23.717 -3.765 0.883 61 2HG1 ILE 7 HG11 ILE 7 -25.360 -4.102 0.345 62 1HG2 ILE 7 HG21 ILE 7 -22.474 -3.528 -1.929 63 2HG2 ILE 7 HG22 ILE 7 -22.182 -2.399 -0.607 64 3HG2 ILE 7 HG23 ILE 7 -22.784 -1.806 -2.154 65 1HD1 ILE 7 HD11 ILE 7 -22.846 -5.220 -0.872 66 2HD1 ILE 7 HD12 ILE 7 -24.495 -5.571 -1.390 67 3HD1 ILE 7 HD13 ILE 7 -23.948 -6.074 0.209 68 H LYS 8 HN LYS 8 -25.958 -1.653 1.900 69 HA LYS 8 HA LYS 8 -28.638 -1.705 0.707 70 1HB LYS 8 HB2 LYS 8 -27.594 -3.499 2.909 71 2HB LYS 8 HB1 LYS 8 -29.288 -3.374 2.460 72 1HG LYS 8 HG2 LYS 8 -28.857 -4.277 0.291 73 2HG LYS 8 HG1 LYS 8 -27.115 -4.188 0.543 74 1HD LYS 8 HD2 LYS 8 -27.348 -5.837 2.384 75 2HD LYS 8 HD1 LYS 8 -29.065 -5.980 1.995 76 1HE LYS 8 HE2 LYS 8 -28.544 -6.790 -0.215 77 2HE LYS 8 HE1 LYS 8 -26.824 -6.519 0.052 78 1HZ LYS 8 HZ1 LYS 8 -28.534 -8.493 1.473 79 2HZ LYS 8 HZ2 LYS 8 -26.903 -8.195 1.819 80 3HZ LYS 8 HZ3 LYS 8 -27.345 -8.836 0.315 81 H GLY 9 HN GLY 9 -29.577 0.115 1.326 82 1HA GLY 9 HA2 GLY 9 -30.651 1.008 3.463 83 2HA GLY 9 HA1 GLY 9 -28.993 1.156 4.026 84 H LYS 10 HN LYS 10 -28.232 3.148 3.906 85 HA LYS 10 HA LYS 10 -28.249 4.706 1.557 86 1HB LYS 10 HB2 LYS 10 -30.614 5.092 2.222 87 2HB LYS 10 HB1 LYS 10 -30.056 5.717 3.769 88 1HG LYS 10 HG2 LYS 10 -28.829 7.497 2.543 89 2HG LYS 10 HG1 LYS 10 -29.563 6.910 1.049 90 1HD LYS 10 HD2 LYS 10 -30.848 8.773 1.855 91 2HD LYS 10 HD1 LYS 10 -31.797 7.301 2.062 92 1HE LYS 10 HE2 LYS 10 -32.011 8.656 4.038 93 2HE LYS 10 HE1 LYS 10 -31.075 7.214 4.426 94 1HZ LYS 10 HZ1 LYS 10 -29.044 8.585 4.153 95 2HZ LYS 10 HZ2 LYS 10 -30.034 9.094 5.427 96 3HZ LYS 10 HZ3 LYS 10 -30.028 9.955 3.967 97 H THR 11 HN THR 11 -28.535 5.521 5.011 98 HA THR 11 HA THR 11 -25.657 6.126 5.043 99 HB THR 11 HB THR 11 -27.673 7.822 6.517 100 HG1 THR 11 HG1 THR 11 -26.442 8.671 4.108 101 1HG2 THR 11 HG21 THR 11 -24.805 8.291 5.687 102 2HG2 THR 11 HG22 THR 11 -25.365 7.910 7.315 103 3HG2 THR 11 HG23 THR 11 -25.821 9.438 6.563 104 H TYR 12 HN TYR 12 -24.813 4.714 6.453 105 HA TYR 12 HA TYR 12 -26.233 4.293 8.996 106 1HB TYR 12 HB2 TYR 12 -26.691 2.354 7.622 107 2HB TYR 12 HB1 TYR 12 -24.989 2.176 7.233 108 HD1 TYR 12 HD1 TYR 12 -26.821 2.619 10.463 109 HD2 TYR 12 HD2 TYR 12 -24.187 0.242 8.114 110 HE1 TYR 12 HE1 TYR 12 -26.542 1.082 12.358 111 HE2 TYR 12 HE2 TYR 12 -23.884 -1.300 10.019 112 HH TYR 12 HH TYR 12 -24.120 -1.329 12.437 113 H ASN 13 HN ASN 13 -25.013 4.523 10.750 114 HA ASN 13 HA ASN 13 -22.126 4.891 10.398 115 1HB ASN 13 HB2 ASN 13 -24.016 5.627 12.636 116 2HB ASN 13 HB1 ASN 13 -22.268 5.764 12.783 117 1HD2 ASN 13 HD21 ASN 13 -24.284 7.846 12.914 118 2HD2 ASN 13 HD22 ASN 13 -23.885 8.978 11.670 119 H VAL 14 HN VAL 14 -20.738 3.358 10.974 120 HA VAL 14 HA VAL 14 -21.619 1.342 12.938 121 HB VAL 14 HB VAL 14 -19.427 1.032 10.881 122 1HG1 VAL 14 HG11 VAL 14 -19.476 -1.327 11.509 123 2HG1 VAL 14 HG12 VAL 14 -20.689 -0.975 12.739 124 3HG1 VAL 14 HG13 VAL 14 -19.065 -0.304 12.886 125 1HG2 VAL 14 HG21 VAL 14 -22.211 -0.113 10.881 126 2HG2 VAL 14 HG22 VAL 14 -20.938 -0.485 9.719 127 3HG2 VAL 14 HG23 VAL 14 -21.606 1.145 9.802 128 H MET 15 HN MET 15 -20.794 1.629 14.860 129 HA MET 15 HA MET 15 -19.426 2.113 16.587 130 1HB MET 15 HB2 MET 15 -17.280 1.978 14.470 131 2HB MET 15 HB1 MET 15 -16.933 2.283 16.166 132 1HG MET 15 HG2 MET 15 -18.046 0.124 16.710 133 2HG MET 15 HG1 MET 15 -18.179 -0.182 14.979 134 1HE MET 15 HE1 MET 15 -16.914 -2.503 15.348 135 2HE MET 15 HE2 MET 15 -16.758 -2.161 17.071 136 3HE MET 15 HE3 MET 15 -15.343 -2.642 16.137 137 H GLY 16 HN GLY 16 -17.773 3.968 14.050 138 1HA GLY 16 HA2 GLY 16 -18.967 6.443 14.951 139 2HA GLY 16 HA1 GLY 16 -17.259 6.283 15.340 140 H ILE 17 HN ILE 17 -18.381 4.718 12.507 141 HA ILE 17 HA ILE 17 -17.188 6.841 10.850 142 HB ILE 17 HB ILE 17 -17.093 3.843 10.426 143 1HG1 ILE 17 HG12 ILE 17 -14.566 4.406 10.331 144 2HG1 ILE 17 HG11 ILE 17 -15.019 5.909 11.126 145 1HG2 ILE 17 HG21 ILE 17 -15.810 4.322 8.394 146 2HG2 ILE 17 HG22 ILE 17 -16.122 6.043 8.615 147 3HG2 ILE 17 HG23 ILE 17 -17.460 4.937 8.302 148 1HD1 ILE 17 HD11 ILE 17 -15.472 3.129 12.184 149 2HD1 ILE 17 HD12 ILE 17 -15.977 4.620 12.977 150 3HD1 ILE 17 HD13 ILE 17 -14.261 4.285 12.743 151 H THR 18 HN THR 18 -18.324 7.487 9.053 152 HA THR 18 HA THR 18 -21.102 6.575 8.971 153 HB THR 18 HB THR 18 -19.816 8.992 7.680 154 HG1 THR 18 HG1 THR 18 -21.241 8.565 10.101 155 1HG2 THR 18 HG21 THR 18 -21.814 8.234 6.471 156 2HG2 THR 18 HG22 THR 18 -22.117 9.756 7.309 157 3HG2 THR 18 HG23 THR 18 -22.733 8.245 7.978 158 H PHE 19 HN PHE 19 -21.682 5.118 7.542 159 HA PHE 19 HA PHE 19 -20.210 4.918 5.006 160 1HB PHE 19 HB2 PHE 19 -22.031 2.907 6.354 161 2HB PHE 19 HB1 PHE 19 -21.173 2.655 4.837 162 HD1 PHE 19 HD2 PHE 19 -20.757 3.106 8.471 163 HD2 PHE 19 HD1 PHE 19 -18.901 2.034 4.799 164 HE1 PHE 19 HE2 PHE 19 -18.813 2.247 9.708 165 HE2 PHE 19 HE1 PHE 19 -16.958 1.168 6.030 166 HZ PHE 19 HZ PHE 19 -16.913 1.273 8.488 167 H ARG 20 HN ARG 20 -21.272 5.080 3.083 168 HA ARG 20 HA ARG 20 -24.139 5.726 3.209 169 1HB ARG 20 HB2 ARG 20 -22.021 6.987 1.459 170 2HB ARG 20 HB1 ARG 20 -23.747 7.277 1.305 171 1HG ARG 20 HG2 ARG 20 -23.805 8.254 3.528 172 2HG ARG 20 HG1 ARG 20 -22.083 7.918 3.731 173 1HD ARG 20 HD2 ARG 20 -22.555 10.263 3.094 174 2HD ARG 20 HD1 ARG 20 -21.528 9.418 1.934 175 HE ARG 20 HE ARG 20 -24.261 9.227 1.195 176 1HH1 ARG 20 HH11 ARG 20 -21.590 11.476 1.253 177 2HH1 ARG 20 HH12 ARG 20 -22.144 12.383 -0.125 178 1HH2 ARG 20 HH21 ARG 20 -25.011 10.397 -0.603 179 2HH2 ARG 20 HH22 ARG 20 -24.120 11.784 -1.159 180 H ALA 21 HN ALA 21 -25.434 4.882 1.624 181 HA ALA 21 HA ALA 21 -24.560 2.504 0.380 182 1HB ALA 21 HB1 ALA 21 -27.043 4.113 -0.195 183 2HB ALA 21 HB2 ALA 21 -26.885 2.873 1.050 184 3HB ALA 21 HB3 ALA 21 -26.758 2.435 -0.653 185 H GLY 22 HN GLY 22 -23.087 2.512 -1.161 186 1HA GLY 22 HA2 GLY 22 -22.728 2.746 -3.550 187 2HA GLY 22 HA1 GLY 22 -23.502 4.323 -3.458 188 H VAL 23 HN VAL 23 -21.712 4.241 -0.762 189 HA VAL 23 HA VAL 23 -19.395 5.469 -2.113 190 HB VAL 23 HB VAL 23 -20.496 6.114 0.631 191 1HG1 VAL 23 HG11 VAL 23 -18.076 6.411 0.498 192 2HG1 VAL 23 HG12 VAL 23 -18.900 7.966 0.613 193 3HG1 VAL 23 HG13 VAL 23 -18.271 7.415 -0.939 194 1HG2 VAL 23 HG21 VAL 23 -21.151 8.262 -0.358 195 2HG2 VAL 23 HG22 VAL 23 -21.977 6.907 -1.129 196 3HG2 VAL 23 HG23 VAL 23 -20.619 7.691 -1.939 197 H SER 24 HN SER 24 -17.537 4.448 -1.884 198 HA SER 24 HA SER 24 -17.302 2.233 -0.041 199 1HB SER 24 HB2 SER 24 -15.197 3.363 -1.898 200 2HB SER 24 HB1 SER 24 -15.234 1.750 -1.185 201 HG SER 24 HG SER 24 -16.824 2.830 -3.245 202 H GLN 25 HN GLN 25 -17.041 2.849 2.034 203 HA GLN 25 HA GLN 25 -15.432 5.179 2.679 204 1HB GLN 25 HB2 GLN 25 -17.623 4.726 3.783 205 2HB GLN 25 HB1 GLN 25 -16.911 3.301 4.530 206 1HG GLN 25 HG2 GLN 25 -16.991 5.210 6.052 207 2HG GLN 25 HG1 GLN 25 -15.338 4.679 5.738 208 1HE2 GLN 25 HE21 GLN 25 -17.708 7.162 5.191 209 2HE2 GLN 25 HE22 GLN 25 -16.609 8.365 4.604 210 H THR 26 HN THR 26 -13.536 5.164 3.846 211 HA THR 26 HA THR 26 -11.952 2.767 3.579 212 HB THR 26 HB THR 26 -11.100 5.349 4.883 213 HG1 THR 26 HG1 THR 26 -11.798 4.834 2.274 214 1HG2 THR 26 HG21 THR 26 -9.561 3.449 5.100 215 2HG2 THR 26 HG22 THR 26 -8.889 4.693 4.044 216 3HG2 THR 26 HG23 THR 26 -9.585 3.230 3.350 217 H VAL 27 HN VAL 27 -11.592 1.300 5.126 218 HA VAL 27 HA VAL 27 -12.127 2.046 7.923 219 HB VAL 27 HB VAL 27 -13.181 -0.118 8.336 220 1HG1 VAL 27 HG11 VAL 27 -15.288 0.251 7.130 221 2HG1 VAL 27 HG12 VAL 27 -14.464 1.397 6.071 222 3HG1 VAL 27 HG13 VAL 27 -14.624 1.744 7.793 223 1HG2 VAL 27 HG21 VAL 27 -12.098 -1.474 6.649 224 2HG2 VAL 27 HG22 VAL 27 -12.896 -0.567 5.365 225 3HG2 VAL 27 HG23 VAL 27 -13.849 -1.575 6.455 226 HA PRO 28 HA PRO 28 -8.400 -0.321 8.781 227 1HB PRO 28 HB2 PRO 28 -9.477 -0.961 11.415 228 2HB PRO 28 HB1 PRO 28 -8.118 0.085 11.001 229 1HG PRO 28 HG2 PRO 28 -10.458 1.032 12.003 230 2HG PRO 28 HG1 PRO 28 -9.427 1.967 10.905 231 1HD PRO 28 HD2 PRO 28 -11.928 0.431 10.310 232 2HD PRO 28 HD1 PRO 28 -11.402 2.012 9.693 233 H LYS 29 HN LYS 29 -7.795 -2.557 9.313 234 HA LYS 29 HA LYS 29 -9.505 -4.430 8.120 235 1HB LYS 29 HB2 LYS 29 -7.008 -4.624 8.356 236 2HB LYS 29 HB1 LYS 29 -7.265 -5.090 10.033 237 1HG LYS 29 HG2 LYS 29 -8.453 -7.058 9.373 238 2HG LYS 29 HG1 LYS 29 -8.438 -6.557 7.682 239 1HD LYS 29 HD2 LYS 29 -5.964 -6.692 7.716 240 2HD LYS 29 HD1 LYS 29 -6.056 -7.318 9.365 241 1HE LYS 29 HE2 LYS 29 -7.302 -9.241 8.608 242 2HE LYS 29 HE1 LYS 29 -7.365 -8.595 6.969 243 1HZ LYS 29 HZ1 LYS 29 -4.919 -9.441 8.427 244 2HZ LYS 29 HZ2 LYS 29 -4.937 -8.747 6.881 245 3HZ LYS 29 HZ3 LYS 29 -5.656 -10.265 7.137 246 H LYS 30 HN LYS 30 -9.288 -3.340 11.401 247 HA LYS 30 HA LYS 30 -10.640 -5.363 12.756 248 1HB LYS 30 HB2 LYS 30 -10.779 -2.366 13.149 249 2HB LYS 30 HB1 LYS 30 -11.491 -3.527 14.255 250 1HG LYS 30 HG2 LYS 30 -9.462 -2.904 15.233 251 2HG LYS 30 HG1 LYS 30 -9.155 -4.487 14.523 252 1HD LYS 30 HD2 LYS 30 -7.972 -3.529 12.695 253 2HD LYS 30 HD1 LYS 30 -8.498 -1.900 13.125 254 1HE LYS 30 HE2 LYS 30 -6.174 -2.261 13.775 255 2HE LYS 30 HE1 LYS 30 -7.193 -2.019 15.192 256 1HZ LYS 30 HZ1 LYS 30 -5.583 -3.832 15.466 257 2HZ LYS 30 HZ2 LYS 30 -6.303 -4.670 14.181 258 3HZ LYS 30 HZ3 LYS 30 -7.183 -4.374 15.603 259 H LEU 31 HN LEU 31 -11.970 -2.506 11.101 260 HA LEU 31 HA LEU 31 -14.680 -3.384 11.403 261 1HB LEU 31 HB2 LEU 31 -13.395 -1.160 9.836 262 2HB LEU 31 HB1 LEU 31 -15.109 -1.507 9.720 263 HG LEU 31 HG LEU 31 -13.658 -0.744 12.255 264 1HD1 LEU 31 HD11 LEU 31 -13.770 1.120 10.721 265 2HD1 LEU 31 HD12 LEU 31 -14.912 1.359 12.044 266 3HD1 LEU 31 HD13 LEU 31 -15.491 0.838 10.462 267 1HD2 LEU 31 HD21 LEU 31 -15.906 -0.558 13.202 268 2HD2 LEU 31 HD22 LEU 31 -15.572 -2.202 12.658 269 3HD2 LEU 31 HD23 LEU 31 -16.595 -1.143 11.687 270 H TYR 32 HN TYR 32 -12.188 -3.680 8.985 271 HA TYR 32 HA TYR 32 -13.726 -4.409 6.782 272 1HB TYR 32 HB2 TYR 32 -11.342 -4.001 6.572 273 2HB TYR 32 HB1 TYR 32 -10.983 -5.376 7.613 274 HD1 TYR 32 HD2 TYR 32 -12.509 -4.477 4.341 275 HD2 TYR 32 HD1 TYR 32 -10.672 -7.505 6.698 276 HE1 TYR 32 HE2 TYR 32 -12.414 -5.944 2.373 277 HE2 TYR 32 HE1 TYR 32 -10.573 -8.981 4.735 278 HH TYR 32 HH TYR 32 -11.697 -9.275 2.602 279 H GLU 33 HN GLU 33 -12.506 -6.385 9.449 280 HA GLU 33 HA GLU 33 -13.696 -8.785 8.381 281 1HB GLU 33 HB2 GLU 33 -11.597 -8.722 9.757 282 2HB GLU 33 HB1 GLU 33 -12.586 -8.308 11.148 283 1HG GLU 33 HG2 GLU 33 -13.685 -10.406 11.099 284 2HG GLU 33 HG1 GLU 33 -12.988 -10.804 9.528 285 H TYR 34 HN TYR 34 -14.412 -6.455 10.918 286 HA TYR 34 HA TYR 34 -16.607 -7.746 12.085 287 1HB TYR 34 HB2 TYR 34 -15.413 -5.807 13.072 288 2HB TYR 34 HB1 TYR 34 -16.112 -4.769 11.834 289 HD1 TYR 34 HD1 TYR 34 -16.898 -6.871 14.771 290 HD2 TYR 34 HD2 TYR 34 -18.316 -3.917 12.057 291 HE1 TYR 34 HE1 TYR 34 -18.851 -6.492 16.212 292 HE2 TYR 34 HE2 TYR 34 -20.273 -3.530 13.493 293 HH TYR 34 HH TYR 34 -21.581 -4.858 15.196 294 H LEU 35 HN LEU 35 -16.380 -5.658 9.250 295 HA LEU 35 HA LEU 35 -19.266 -5.779 8.888 296 1HB LEU 35 HB2 LEU 35 -17.129 -4.389 7.279 297 2HB LEU 35 HB1 LEU 35 -18.846 -4.318 6.926 298 HG LEU 35 HG LEU 35 -17.509 -3.269 9.422 299 1HD1 LEU 35 HD11 LEU 35 -18.770 -1.839 7.089 300 2HD1 LEU 35 HD12 LEU 35 -17.047 -1.912 7.461 301 3HD1 LEU 35 HD13 LEU 35 -18.151 -1.076 8.554 302 1HD2 LEU 35 HD21 LEU 35 -20.397 -3.142 8.563 303 2HD2 LEU 35 HD22 LEU 35 -19.702 -2.366 9.987 304 3HD2 LEU 35 HD23 LEU 35 -19.751 -4.125 9.877 305 H ASN 36 HN ASN 36 -16.467 -7.449 7.893 306 HA ASN 36 HA ASN 36 -17.329 -8.484 5.424 307 1HB ASN 36 HB2 ASN 36 -15.031 -8.771 6.132 308 2HB ASN 36 HB1 ASN 36 -15.536 -9.692 7.543 309 1HD2 ASN 36 HD21 ASN 36 -15.972 -11.829 7.352 310 2HD2 ASN 36 HD22 ASN 36 -15.743 -12.730 5.887 311 H GLU 37 HN GLU 37 -17.920 -9.460 8.756 312 HA GLU 37 HA GLU 37 -19.541 -11.720 7.996 313 1HB GLU 37 HB2 GLU 37 -20.116 -11.780 10.433 314 2HB GLU 37 HB1 GLU 37 -18.394 -11.857 10.085 315 1HG GLU 37 HG2 GLU 37 -18.160 -9.505 10.637 316 2HG GLU 37 HG1 GLU 37 -19.893 -9.390 10.936 317 H ASN 38 HN ASN 38 -20.154 -8.615 7.486 318 HA ASN 38 HA ASN 38 -23.019 -8.869 8.129 319 1HB ASN 38 HB2 ASN 38 -21.212 -6.473 8.131 320 2HB ASN 38 HB1 ASN 38 -22.935 -6.268 7.828 321 1HD2 ASN 38 HD21 ASN 38 -20.519 -7.167 10.179 322 2HD2 ASN 38 HD22 ASN 38 -21.568 -7.128 11.555 323 HA PRO 39 HA PRO 39 -23.099 -9.241 3.714 324 1HB PRO 39 HB2 PRO 39 -25.621 -10.106 3.477 325 2HB PRO 39 HB1 PRO 39 -24.352 -11.107 4.196 326 1HG PRO 39 HG2 PRO 39 -26.481 -9.493 5.543 327 2HG PRO 39 HG1 PRO 39 -25.902 -11.123 5.928 328 1HD PRO 39 HD2 PRO 39 -25.106 -8.845 7.247 329 2HD PRO 39 HD1 PRO 39 -24.140 -10.331 7.154 330 H TYR 40 HN TYR 40 -23.948 -6.551 5.096 331 HA TYR 40 HA TYR 40 -25.433 -5.646 2.729 332 1HB TYR 40 HB2 TYR 40 -26.302 -3.756 4.210 333 2HB TYR 40 HB1 TYR 40 -27.012 -5.347 4.424 334 HD1 TYR 40 HD1 TYR 40 -26.219 -6.749 6.397 335 HD2 TYR 40 HD2 TYR 40 -25.369 -2.603 6.015 336 HE1 TYR 40 HE1 TYR 40 -25.808 -6.619 8.816 337 HE2 TYR 40 HE2 TYR 40 -24.943 -2.460 8.433 338 HH TYR 40 HH TYR 40 -24.596 -5.223 10.404 339 H PHE 41 HN PHE 41 -22.545 -5.836 3.670 340 HA PHE 41 HA PHE 41 -21.810 -3.194 2.610 341 1HB PHE 41 HB2 PHE 41 -20.463 -4.783 4.795 342 2HB PHE 41 HB1 PHE 41 -19.600 -3.559 3.875 343 HD1 PHE 41 HD2 PHE 41 -20.187 -1.205 4.091 344 HD2 PHE 41 HD1 PHE 41 -22.062 -4.189 6.472 345 HE1 PHE 41 HE2 PHE 41 -20.979 0.533 5.637 346 HE2 PHE 41 HE1 PHE 41 -22.855 -2.453 8.025 347 HZ PHE 41 HZ PHE 41 -22.321 -0.086 7.608 348 H ILE 42 HN ILE 42 -20.585 -3.295 0.781 349 HA ILE 42 HA ILE 42 -19.305 -5.860 0.149 350 HB ILE 42 HB ILE 42 -20.644 -4.695 -1.628 351 1HG1 ILE 42 HG12 ILE 42 -17.710 -5.080 -2.247 352 2HG1 ILE 42 HG11 ILE 42 -18.905 -6.369 -2.154 353 1HG2 ILE 42 HG21 ILE 42 -18.392 -2.709 -1.543 354 2HG2 ILE 42 HG22 ILE 42 -20.088 -2.402 -1.172 355 3HG2 ILE 42 HG23 ILE 42 -19.606 -2.811 -2.818 356 1HD1 ILE 42 HD11 ILE 42 -20.092 -5.422 -4.049 357 2HD1 ILE 42 HD12 ILE 42 -18.408 -5.757 -4.456 358 3HD1 ILE 42 HD13 ILE 42 -18.925 -4.103 -4.132 359 H LEU 43 HN LEU 43 -17.126 -6.124 0.350 360 HA LEU 43 HA LEU 43 -15.679 -3.722 1.227 361 1HB LEU 43 HB2 LEU 43 -15.201 -6.564 2.117 362 2HB LEU 43 HB1 LEU 43 -14.344 -5.142 2.684 363 HG LEU 43 HG LEU 43 -16.874 -4.411 3.268 364 1HD1 LEU 43 HD11 LEU 43 -17.843 -6.503 2.507 365 2HD1 LEU 43 HD12 LEU 43 -18.041 -6.323 4.249 366 3HD1 LEU 43 HD13 LEU 43 -16.803 -7.404 3.610 367 1HD2 LEU 43 HD21 LEU 43 -14.977 -4.343 4.780 368 2HD2 LEU 43 HD22 LEU 43 -15.063 -6.091 4.990 369 3HD2 LEU 43 HD23 LEU 43 -16.380 -5.070 5.567 370 H THR 44 HN THR 44 -14.151 -3.071 -0.027 371 HA THR 44 HA THR 44 -12.940 -4.965 -1.921 372 HB THR 44 HB THR 44 -12.379 -2.563 -3.009 373 HG1 THR 44 HG1 THR 44 -13.517 -1.276 -1.609 374 1HG2 THR 44 HG21 THR 44 -14.974 -4.063 -3.363 375 2HG2 THR 44 HG22 THR 44 -13.443 -4.451 -4.146 376 3HG2 THR 44 HG23 THR 44 -14.263 -2.936 -4.517 377 H GLN 45 HN GLN 45 -10.778 -5.085 -2.134 378 HA GLN 45 HA GLN 45 -9.119 -3.460 -0.335 379 1HB GLN 45 HB2 GLN 45 -8.828 -5.908 -0.217 380 2HB GLN 45 HB1 GLN 45 -8.452 -5.946 -1.933 381 1HG GLN 45 HG2 GLN 45 -6.722 -4.101 -0.575 382 2HG GLN 45 HG1 GLN 45 -6.674 -5.680 0.204 383 1HE2 GLN 45 HE21 GLN 45 -4.608 -6.141 -0.465 384 2HE2 GLN 45 HE22 GLN 45 -4.210 -6.481 -2.118 385 H GLU 46 HN GLU 46 -8.523 -1.594 -1.292 386 HA GLU 46 HA GLU 46 -8.186 -1.636 -4.197 387 1HB GLU 46 HB2 GLU 46 -8.305 0.953 -3.822 388 2HB GLU 46 HB1 GLU 46 -9.763 -0.024 -3.845 389 1HG GLU 46 HG2 GLU 46 -10.113 1.340 -2.035 390 2HG GLU 46 HG1 GLU 46 -9.462 -0.111 -1.282 391 H LEU 47 HN LEU 47 -6.488 -0.557 -5.209 392 HA LEU 47 HA LEU 47 -4.005 -0.907 -3.774 393 1HB LEU 47 HB2 LEU 47 -4.672 -0.329 -6.648 394 2HB LEU 47 HB1 LEU 47 -3.027 -0.227 -6.056 395 HG LEU 47 HG LEU 47 -3.247 -2.636 -5.327 396 1HD1 LEU 47 HD11 LEU 47 -5.713 -2.531 -7.055 397 2HD1 LEU 47 HD12 LEU 47 -5.686 -2.768 -5.307 398 3HD1 LEU 47 HD13 LEU 47 -4.981 -3.984 -6.374 399 1HD2 LEU 47 HD21 LEU 47 -2.022 -2.000 -7.316 400 2HD2 LEU 47 HD22 LEU 47 -3.513 -1.993 -8.258 401 3HD2 LEU 47 HD23 LEU 47 -2.897 -3.506 -7.592 402 H ASN 48 HN ASN 48 -2.951 0.632 -2.794 403 HA ASN 48 HA ASN 48 -3.686 3.425 -3.279 404 1HB ASN 48 HB2 ASN 48 -1.961 2.246 -1.083 405 2HB ASN 48 HB1 ASN 48 -2.544 3.904 -1.175 406 1HD2 ASN 48 HD21 ASN 48 -5.172 3.173 -2.121 407 2HD2 ASN 48 HD22 ASN 48 -6.017 2.473 -0.786 408 H ASN 49 HN ASN 49 -1.733 4.983 -3.072 409 HA ASN 49 HA ASN 49 0.346 4.028 -4.870 410 1HB ASN 49 HB2 ASN 49 1.068 6.378 -4.987 411 2HB ASN 49 HB1 ASN 49 -0.636 6.209 -5.376 412 1HD2 ASN 49 HD21 ASN 49 0.895 8.520 -4.460 413 2HD2 ASN 49 HD22 ASN 49 0.112 9.068 -3.020 414 H GLN 50 HN GLN 50 2.534 4.006 -4.347 415 HA GLN 50 HA GLN 50 3.091 3.044 -1.789 416 1HB GLN 50 HB2 GLN 50 5.465 3.145 -2.449 417 2HB GLN 50 HB1 GLN 50 4.449 2.407 -3.678 418 1HG GLN 50 HG2 GLN 50 4.447 4.561 -4.899 419 2HG GLN 50 HG1 GLN 50 5.580 5.193 -3.705 420 1HE2 GLN 50 HE21 GLN 50 5.899 4.798 -6.573 421 2HE2 GLN 50 HE22 GLN 50 7.278 3.774 -6.765 422 H LYS 51 HN LYS 51 4.013 3.903 0.017 423 HA LYS 51 HA LYS 51 3.473 6.732 0.309 424 1HB LYS 51 HB2 LYS 51 2.680 4.879 1.883 425 2HB LYS 51 HB1 LYS 51 4.333 4.834 2.479 426 1HG LYS 51 HG2 LYS 51 4.192 6.971 3.389 427 2HG LYS 51 HG1 LYS 51 2.770 7.387 2.427 428 1HD LYS 51 HD2 LYS 51 1.522 5.615 3.692 429 2HD LYS 51 HD1 LYS 51 2.929 5.469 4.749 430 1HE LYS 51 HE2 LYS 51 1.134 6.954 5.635 431 2HE LYS 51 HE1 LYS 51 2.707 7.735 5.471 432 1HZ LYS 51 HZ1 LYS 51 2.006 8.934 3.627 433 2HZ LYS 51 HZ2 LYS 51 0.662 8.998 4.661 434 3HZ LYS 51 HZ3 LYS 51 0.669 7.933 3.338 435 H ASP 52 HN ASP 52 6.182 4.646 0.029 436 HA ASP 52 HA ASP 52 7.964 6.891 0.703 437 1HB ASP 52 HB2 ASP 52 8.335 5.032 2.227 438 2HB ASP 52 HB1 ASP 52 8.519 3.921 0.872 439 H ASP 53 HN ASP 53 8.746 7.815 -1.051 440 HA ASP 53 HA ASP 53 9.493 6.123 -3.340 441 1HB ASP 53 HB2 ASP 53 7.325 7.455 -3.661 442 2HB ASP 53 HB1 ASP 53 8.332 8.898 -3.640 443 HA PRO 54 HA PRO 54 13.381 7.905 -2.146 444 1HB PRO 54 HB2 PRO 54 14.743 7.087 -4.411 445 2HB PRO 54 HB1 PRO 54 14.486 6.105 -2.966 446 1HG PRO 54 HG2 PRO 54 12.981 6.113 -5.547 447 2HG PRO 54 HG1 PRO 54 13.452 4.742 -4.524 448 1HD PRO 54 HD2 PRO 54 10.945 5.681 -4.523 449 2HD PRO 54 HD1 PRO 54 11.714 5.098 -3.031 450 H ILE 55 HN ILE 55 14.457 9.739 -2.483 451 HA ILE 55 HA ILE 55 14.904 11.847 -3.154 452 HB ILE 55 HB ILE 55 16.153 10.402 -4.857 453 1HG1 ILE 55 HG12 ILE 55 16.862 12.401 -6.126 454 2HG1 ILE 55 HG11 ILE 55 15.448 13.266 -5.530 455 1HG2 ILE 55 HG21 ILE 55 14.298 9.781 -6.303 456 2HG2 ILE 55 HG22 ILE 55 15.510 10.688 -7.207 457 3HG2 ILE 55 HG23 ILE 55 14.017 11.476 -6.697 458 1HD1 ILE 55 HD11 ILE 55 17.422 13.881 -4.284 459 2HD1 ILE 55 HD12 ILE 55 17.710 12.192 -3.863 460 3HD1 ILE 55 HD13 ILE 55 16.283 13.026 -3.244 461 H ASN 56 HN ASN 56 12.095 11.149 -2.936 462 HA ASN 56 HA ASN 56 10.936 13.311 -4.491 463 1HB ASN 56 HB2 ASN 56 10.688 11.287 -5.919 464 2HB ASN 56 HB1 ASN 56 9.804 10.502 -4.617 465 1HD2 ASN 56 HD21 ASN 56 7.716 11.205 -4.125 466 2HD2 ASN 56 HD22 ASN 56 6.788 12.168 -5.225 467 H TYR 57 HN TYR 57 10.858 14.213 -2.384 468 HA TYR 57 HA TYR 57 8.563 13.290 -0.809 469 1HB TYR 57 HB2 TYR 57 11.222 14.105 0.392 470 2HB TYR 57 HB1 TYR 57 9.774 13.671 1.286 471 HD1 TYR 57 HD2 TYR 57 12.472 12.351 -0.868 472 HD2 TYR 57 HD1 TYR 57 9.241 11.392 1.729 473 HE1 TYR 57 HE2 TYR 57 13.244 10.021 -0.779 474 HE2 TYR 57 HE1 TYR 57 10.009 9.057 1.828 475 HH TYR 57 HH TYR 57 11.373 7.515 0.846 476 H THR 58 HN THR 58 7.667 14.993 0.547 477 HA THR 58 HA THR 58 7.913 17.604 -0.601 478 HB THR 58 HB THR 58 6.406 18.057 1.579 479 HG1 THR 58 HG1 THR 58 5.827 15.359 0.842 480 1HG2 THR 58 HG21 THR 58 5.458 16.788 -0.993 481 2HG2 THR 58 HG22 THR 58 5.762 18.506 -0.737 482 3HG2 THR 58 HG23 THR 58 4.458 17.704 0.137 483 H GLU 59 HN GLU 59 8.692 19.495 0.352 484 HA GLU 59 HA GLU 59 10.983 19.245 1.935 485 1HB GLU 59 HB2 GLU 59 10.689 21.241 0.670 486 2HB GLU 59 HB1 GLU 59 9.158 21.601 1.455 487 1HG GLU 59 HG2 GLU 59 10.368 21.955 3.570 488 2HG GLU 59 HG1 GLU 59 11.886 21.663 2.722 489 H SER 60 HN SER 60 7.641 19.998 2.807 490 HA SER 60 HA SER 60 7.985 20.222 5.571 491 1HB SER 60 HB2 SER 60 5.604 19.107 4.064 492 2HB SER 60 HB1 SER 60 5.591 19.698 5.726 493 HG SER 60 HG SER 60 6.146 21.766 4.926 494 H GLU 61 HN GLU 61 7.798 17.409 3.441 495 HA GLU 61 HA GLU 61 7.437 15.552 5.625 496 1HB GLU 61 HB2 GLU 61 6.656 15.060 3.355 497 2HB GLU 61 HB1 GLU 61 8.307 15.116 2.765 498 1HG GLU 61 HG2 GLU 61 8.875 13.113 3.825 499 2HG GLU 61 HG1 GLU 61 7.448 13.161 4.864 500 H LEU 62 HN LEU 62 10.127 16.826 3.790 501 HA LEU 62 HA LEU 62 12.049 15.027 4.947 502 1HB LEU 62 HB2 LEU 62 12.305 17.435 3.156 503 2HB LEU 62 HB1 LEU 62 13.683 16.501 3.709 504 HG LEU 62 HG LEU 62 11.399 15.307 2.145 505 1HD1 LEU 62 HD11 LEU 62 12.484 16.985 0.767 506 2HD1 LEU 62 HD12 LEU 62 12.904 15.362 0.207 507 3HD1 LEU 62 HD13 LEU 62 14.065 16.302 1.150 508 1HD2 LEU 62 HD21 LEU 62 12.999 13.491 1.764 509 2HD2 LEU 62 HD22 LEU 62 12.664 13.719 3.480 510 3HD2 LEU 62 HD23 LEU 62 14.172 14.317 2.787 511 H LYS 63 HN LYS 63 10.726 18.086 5.797 512 HA LYS 63 HA LYS 63 12.851 19.115 7.347 513 1HB LYS 63 HB2 LYS 63 9.867 19.527 7.453 514 2HB LYS 63 HB1 LYS 63 10.946 20.314 8.595 515 1HG LYS 63 HG2 LYS 63 11.038 20.621 5.600 516 2HG LYS 63 HG1 LYS 63 10.332 21.774 6.732 517 1HD LYS 63 HD2 LYS 63 12.519 22.107 7.767 518 2HD LYS 63 HD1 LYS 63 13.231 20.931 6.659 519 1HE LYS 63 HE2 LYS 63 13.710 23.114 5.813 520 2HE LYS 63 HE1 LYS 63 12.500 22.379 4.765 521 1HZ LYS 63 HZ1 LYS 63 10.834 23.633 6.242 522 2HZ LYS 63 HZ2 LYS 63 11.709 24.512 5.092 523 3HZ LYS 63 HZ3 LYS 63 12.169 24.564 6.719 524 H GLY 64 HN GLY 64 10.440 16.686 7.973 525 1HA GLY 64 HA2 GLY 64 11.055 16.606 10.821 526 2HA GLY 64 HA1 GLY 64 9.835 15.653 9.989 527 H MET 65 HN MET 65 12.585 15.494 8.189 528 HA MET 65 HA MET 65 13.304 12.915 9.387 529 1HB MET 65 HB2 MET 65 13.766 13.998 6.604 530 2HB MET 65 HB1 MET 65 14.381 12.454 7.175 531 1HG MET 65 HG2 MET 65 12.085 11.689 7.546 532 2HG MET 65 HG1 MET 65 11.485 13.235 6.948 533 1HE MET 65 HE1 MET 65 10.593 10.688 4.079 534 2HE MET 65 HE2 MET 65 9.951 11.879 5.211 535 3HE MET 65 HE3 MET 65 10.611 10.356 5.810 536 H ASN 66 HN ASN 66 15.340 12.486 10.053 537 HA ASN 66 HA ASN 66 17.044 14.735 10.583 538 1HB ASN 66 HB2 ASN 66 17.526 11.776 11.013 539 2HB ASN 66 HB1 ASN 66 18.529 13.074 11.650 540 1HD2 ASN 66 HD21 ASN 66 15.532 11.363 11.918 541 2HD2 ASN 66 HD22 ASN 66 15.062 12.020 13.456 542 H LYS 67 HN LYS 67 19.489 14.424 10.130 543 HA LYS 67 HA LYS 67 19.856 14.630 7.370 544 1HB LYS 67 HB2 LYS 67 22.280 14.589 7.869 545 2HB LYS 67 HB1 LYS 67 21.384 15.695 8.897 546 1HG LYS 67 HG2 LYS 67 21.419 13.980 10.688 547 2HG LYS 67 HG1 LYS 67 22.435 12.976 9.650 548 1HD LYS 67 HD2 LYS 67 24.137 14.720 9.606 549 2HD LYS 67 HD1 LYS 67 23.116 15.759 10.601 550 1HE LYS 67 HE2 LYS 67 24.273 13.094 11.409 551 2HE LYS 67 HE1 LYS 67 24.844 14.676 11.936 552 1HZ LYS 67 HZ1 LYS 67 23.471 13.762 13.633 553 2HZ LYS 67 HZ2 LYS 67 22.223 13.425 12.542 554 3HZ LYS 67 HZ3 LYS 67 22.609 15.036 12.915 555 H ALA 68 HN ALA 68 20.240 11.883 9.522 556 HA ALA 68 HA ALA 68 21.613 10.151 7.815 557 1HB ALA 68 HB1 ALA 68 20.805 8.357 9.254 558 2HB ALA 68 HB2 ALA 68 19.614 9.450 9.961 559 3HB ALA 68 HB3 ALA 68 21.335 9.744 10.208 560 H GLU 69 HN GLU 69 18.093 10.541 8.299 561 HA GLU 69 HA GLU 69 17.247 8.622 6.470 562 1HB GLU 69 HB2 GLU 69 15.959 11.241 7.249 563 2HB GLU 69 HB1 GLU 69 15.175 10.051 6.222 564 1HG GLU 69 HG2 GLU 69 14.283 9.533 8.256 565 2HG GLU 69 HG1 GLU 69 15.658 8.435 8.209 566 H HIS 70 HN HIS 70 17.947 12.060 5.947 567 HA HIS 70 HA HIS 70 17.406 12.178 3.214 568 1HB HIS 70 HB2 HIS 70 19.372 13.703 4.918 569 2HB HIS 70 HB1 HIS 70 19.116 14.062 3.215 570 HD1 HIS 70 HD1 HIS 70 17.372 15.735 2.734 571 HD2 HIS 70 HD2 HIS 70 16.848 13.996 6.471 572 HE1 HIS 70 HE1 HIS 70 15.507 17.010 3.817 573 HE2 HIS 70 HE2 HIS 70 15.152 15.907 6.052 574 H GLU 71 HN GLU 71 20.331 11.240 4.952 575 HA GLU 71 HA GLU 71 22.040 11.113 2.748 576 1HB GLU 71 HB2 GLU 71 22.102 9.603 5.359 577 2HB GLU 71 HB1 GLU 71 23.403 9.561 4.174 578 1HG GLU 71 HG2 GLU 71 23.578 12.030 4.364 579 2HG GLU 71 HG1 GLU 71 22.389 11.970 5.663 580 H SER 72 HN SER 72 20.107 8.516 4.255 581 HA SER 72 HA SER 72 20.896 6.532 2.422 582 1HB SER 72 HB2 SER 72 18.653 5.462 3.201 583 2HB SER 72 HB1 SER 72 19.949 5.695 4.374 584 HG SER 72 HG SER 72 17.703 7.393 3.971 585 H ILE 73 HN ILE 73 18.339 8.939 2.321 586 HA ILE 73 HA ILE 73 16.872 7.934 0.147 587 HB ILE 73 HB ILE 73 17.299 10.787 1.049 588 1HG1 ILE 73 HG12 ILE 73 14.913 8.959 1.406 589 2HG1 ILE 73 HG11 ILE 73 16.146 9.228 2.633 590 1HG2 ILE 73 HG21 ILE 73 15.300 9.719 -0.943 591 2HG2 ILE 73 HG22 ILE 73 16.670 10.770 -1.300 592 3HG2 ILE 73 HG23 ILE 73 15.339 11.364 -0.307 593 1HD1 ILE 73 HD11 ILE 73 15.555 11.604 2.693 594 2HD1 ILE 73 HD12 ILE 73 14.180 10.568 3.075 595 3HD1 ILE 73 HD13 ILE 73 14.305 11.314 1.483 596 H ILE 74 HN ILE 74 19.489 10.371 0.192 597 HA ILE 74 HA ILE 74 19.437 10.584 -2.665 598 HB ILE 74 HB ILE 74 21.735 11.620 -1.040 599 1HG1 ILE 74 HG12 ILE 74 19.002 12.920 -1.248 600 2HG1 ILE 74 HG11 ILE 74 19.650 12.181 0.213 601 1HG2 ILE 74 HG21 ILE 74 21.597 13.424 -2.695 602 2HG2 ILE 74 HG22 ILE 74 20.167 12.662 -3.400 603 3HG2 ILE 74 HG23 ILE 74 21.734 11.848 -3.475 604 1HD1 ILE 74 HD11 ILE 74 19.859 14.594 0.284 605 2HD1 ILE 74 HD12 ILE 74 20.788 14.574 -1.215 606 3HD1 ILE 74 HD13 ILE 74 21.450 13.833 0.242 607 H SER 75 HN SER 75 21.147 8.627 -0.376 608 HA SER 75 HA SER 75 23.247 7.753 -2.045 609 1HB SER 75 HB2 SER 75 21.794 6.318 0.192 610 2HB SER 75 HB1 SER 75 23.263 5.721 -0.582 611 HG SER 75 HG SER 75 22.914 8.055 0.988 612 H ASN 76 HN ASN 76 19.888 6.734 -1.669 613 HA ASN 76 HA ASN 76 20.026 4.565 -3.490 614 1HB ASN 76 HB2 ASN 76 17.699 6.230 -2.527 615 2HB ASN 76 HB1 ASN 76 17.512 4.876 -3.635 616 1HD2 ASN 76 HD21 ASN 76 19.632 3.315 -2.372 617 2HD2 ASN 76 HD22 ASN 76 18.974 2.742 -0.877 618 H LEU 77 HN LEU 77 19.409 8.011 -3.835 619 HA LEU 77 HA LEU 77 18.719 8.004 -6.575 620 1HB LEU 77 HB2 LEU 77 18.371 9.974 -5.203 621 2HB LEU 77 HB1 LEU 77 20.094 10.117 -4.912 622 HG LEU 77 HG LEU 77 20.374 10.469 -7.399 623 1HD1 LEU 77 HD11 LEU 77 18.416 11.201 -8.648 624 2HD1 LEU 77 HD12 LEU 77 17.386 10.819 -7.267 625 3HD1 LEU 77 HD13 LEU 77 18.246 9.530 -8.110 626 1HD2 LEU 77 HD21 LEU 77 18.735 12.489 -5.875 627 2HD2 LEU 77 HD22 LEU 77 19.727 12.816 -7.295 628 3HD2 LEU 77 HD23 LEU 77 20.486 12.298 -5.790 629 H GLY 78 HN GLY 78 21.820 8.054 -4.908 630 1HA GLY 78 HA2 GLY 78 23.697 6.953 -5.995 631 2HA GLY 78 HA1 GLY 78 23.120 7.611 -7.519 632 H ARG 79 HN ARG 79 23.057 9.664 -4.736 633 HA ARG 79 HA ARG 79 25.583 10.920 -5.591 634 1HB ARG 79 HB2 ARG 79 23.698 12.339 -6.280 635 2HB ARG 79 HB1 ARG 79 23.084 12.337 -4.632 636 1HG ARG 79 HG2 ARG 79 24.169 14.370 -4.764 637 2HG ARG 79 HG1 ARG 79 25.387 13.336 -4.017 638 1HD ARG 79 HD2 ARG 79 25.960 12.952 -6.625 639 2HD ARG 79 HD1 ARG 79 25.335 14.601 -6.679 640 HE ARG 79 HE ARG 79 27.772 13.678 -5.368 641 1HH1 ARG 79 HH11 ARG 79 25.536 16.312 -5.944 642 2HH1 ARG 79 HH12 ARG 79 26.662 17.542 -5.472 643 1HH2 ARG 79 HH21 ARG 79 29.270 15.282 -4.765 644 2HH2 ARG 79 HH22 ARG 79 28.804 16.960 -4.803 645 H ASN 80 HN ASN 80 27.034 11.207 -3.999 646 HA ASN 80 HA ASN 80 26.554 10.188 -1.410 647 1HB ASN 80 HB2 ASN 80 28.801 10.912 -0.871 648 2HB ASN 80 HB1 ASN 80 28.792 10.225 -2.489 649 1HD2 ASN 80 HD21 ASN 80 29.522 12.937 -0.580 650 2HD2 ASN 80 HD22 ASN 80 30.016 13.990 -1.857 651 HA PRO 81 HA PRO 81 24.536 13.862 0.046 652 1HB PRO 81 HB2 PRO 81 23.480 12.816 2.265 653 2HB PRO 81 HB1 PRO 81 22.898 12.357 0.659 654 1HG PRO 81 HG2 PRO 81 24.723 10.886 2.507 655 2HG PRO 81 HG1 PRO 81 23.430 10.260 1.472 656 1HD PRO 81 HD2 PRO 81 26.137 10.213 0.851 657 2HD PRO 81 HD1 PRO 81 24.817 10.081 -0.328 658 H SER 82 HN SER 82 27.252 12.375 1.408 659 HA SER 82 HA SER 82 27.386 13.959 3.799 660 1HB SER 82 HB2 SER 82 28.497 11.754 3.630 661 2HB SER 82 HB1 SER 82 29.578 12.403 2.400 662 HG SER 82 HG SER 82 29.834 14.079 4.317 663 H ASP 83 HN ASP 83 27.621 14.770 0.645 664 HA ASP 83 HA ASP 83 29.796 16.639 0.772 665 1HB ASP 83 HB2 ASP 83 28.978 15.573 -1.351 666 2HB ASP 83 HB1 ASP 83 27.511 16.537 -1.212 667 H PHE 84 HN PHE 84 26.592 16.551 1.831 668 HA PHE 84 HA PHE 84 26.407 19.471 2.037 669 1HB PHE 84 HB2 PHE 84 24.254 17.465 2.718 670 2HB PHE 84 HB1 PHE 84 24.067 19.190 2.417 671 HD1 PHE 84 HD2 PHE 84 24.615 20.035 0.059 672 HD2 PHE 84 HD1 PHE 84 23.973 15.936 1.000 673 HE1 PHE 84 HE2 PHE 84 24.167 19.561 -2.312 674 HE2 PHE 84 HE1 PHE 84 23.529 15.457 -1.371 675 HZ PHE 84 HZ PHE 84 23.625 17.272 -3.027 676 H LYS 85 HN LYS 85 26.674 20.438 3.973 677 HA LYS 85 HA LYS 85 27.646 18.738 6.112 678 1HB LYS 85 HB2 LYS 85 28.557 21.056 5.202 679 2HB LYS 85 HB1 LYS 85 27.444 21.694 6.405 680 1HG LYS 85 HG2 LYS 85 28.567 20.323 8.122 681 2HG LYS 85 HG1 LYS 85 29.724 19.793 6.899 682 1HD LYS 85 HD2 LYS 85 30.769 21.571 8.049 683 2HD LYS 85 HD1 LYS 85 30.225 22.247 6.512 684 1HE LYS 85 HE2 LYS 85 29.678 23.815 8.216 685 2HE LYS 85 HE1 LYS 85 28.174 23.054 7.697 686 1HZ LYS 85 HZ1 LYS 85 29.731 22.289 10.105 687 2HZ LYS 85 HZ2 LYS 85 28.251 21.620 9.626 688 3HZ LYS 85 HZ3 LYS 85 28.331 23.244 10.113 689 H ASN 86 HN ASN 86 24.811 20.587 5.379 690 HA ASN 86 HA ASN 86 23.753 19.897 8.032 691 1HB ASN 86 HB2 ASN 86 22.421 21.979 8.007 692 2HB ASN 86 HB1 ASN 86 24.151 22.294 8.013 693 1HD2 ASN 86 HD21 ASN 86 24.122 24.270 7.112 694 2HD2 ASN 86 HD22 ASN 86 23.591 24.595 5.494 695 H ALA 87 HN ALA 87 21.244 20.016 7.992 696 HA ALA 87 HA ALA 87 20.459 18.126 5.971 697 1HB ALA 87 HB1 ALA 87 18.350 18.011 7.158 698 2HB ALA 87 HB2 ALA 87 18.784 19.431 8.109 699 3HB ALA 87 HB3 ALA 87 19.697 17.933 8.294 700 H ASP 88 HN ASP 88 20.358 21.505 6.260 701 HA ASP 88 HA ASP 88 17.990 22.089 4.833 702 1HB ASP 88 HB2 ASP 88 19.180 23.718 6.271 703 2HB ASP 88 HB1 ASP 88 20.502 23.758 5.108 704 H GLU 89 HN GLU 89 21.400 21.978 3.818 705 HA GLU 89 HA GLU 89 20.964 22.466 1.083 706 1HB GLU 89 HB2 GLU 89 23.174 20.944 2.474 707 2HB GLU 89 HB1 GLU 89 23.208 21.406 0.779 708 1HG GLU 89 HG2 GLU 89 22.974 23.357 3.053 709 2HG GLU 89 HG1 GLU 89 24.494 22.896 2.291 710 H ARG 90 HN ARG 90 20.820 19.542 2.994 711 HA ARG 90 HA ARG 90 20.757 17.681 0.867 712 1HB ARG 90 HB2 ARG 90 19.388 17.369 3.541 713 2HB ARG 90 HB1 ARG 90 19.930 16.089 2.467 714 1HG ARG 90 HG2 ARG 90 22.250 16.735 2.865 715 2HG ARG 90 HG1 ARG 90 21.702 18.020 3.946 716 1HD ARG 90 HD2 ARG 90 20.475 16.114 5.194 717 2HD ARG 90 HD1 ARG 90 21.580 15.050 4.321 718 HE ARG 90 HE ARG 90 22.343 17.074 6.311 719 1HH1 ARG 90 HH11 ARG 90 23.236 14.368 4.280 720 2HH1 ARG 90 HH12 ARG 90 24.692 14.033 5.161 721 1HH2 ARG 90 HH21 ARG 90 24.247 16.625 7.474 722 2HH2 ARG 90 HH22 ARG 90 25.267 15.310 6.962 723 H ILE 91 HN ILE 91 18.243 19.478 2.578 724 HA ILE 91 HA ILE 91 16.013 18.349 1.276 725 HB ILE 91 HB ILE 91 16.414 21.063 2.546 726 1HG1 ILE 91 HG12 ILE 91 14.684 18.782 3.475 727 2HG1 ILE 91 HG11 ILE 91 16.385 18.898 3.920 728 1HG2 ILE 91 HG21 ILE 91 13.848 19.870 1.503 729 2HG2 ILE 91 HG22 ILE 91 14.692 21.265 0.833 730 3HG2 ILE 91 HG23 ILE 91 13.985 21.354 2.446 731 1HD1 ILE 91 HD11 ILE 91 15.953 21.041 4.995 732 2HD1 ILE 91 HD12 ILE 91 14.934 19.767 5.666 733 3HD1 ILE 91 HD13 ILE 91 14.255 20.933 4.532 734 H ALA 92 HN ALA 92 17.974 21.215 0.554 735 HA ALA 92 HA ALA 92 16.551 22.139 -1.657 736 1HB ALA 92 HB1 ALA 92 19.514 22.357 -1.138 737 2HB ALA 92 HB2 ALA 92 18.271 23.443 -0.517 738 3HB ALA 92 HB3 ALA 92 18.578 23.356 -2.251 739 H TYR 93 HN TYR 93 19.146 19.737 -1.472 740 HA TYR 93 HA TYR 93 19.451 19.416 -4.268 741 1HB TYR 93 HB2 TYR 93 21.069 18.650 -2.457 742 2HB TYR 93 HB1 TYR 93 19.988 17.286 -2.194 743 HD1 TYR 93 HD1 TYR 93 22.353 18.838 -4.526 744 HD2 TYR 93 HD2 TYR 93 19.869 15.463 -3.799 745 HE1 TYR 93 HE1 TYR 93 23.493 17.624 -6.326 746 HE2 TYR 93 HE2 TYR 93 21.002 14.235 -5.603 747 HH TYR 93 HH TYR 93 22.323 14.970 -7.792 748 H ILE 94 HN ILE 94 17.524 17.660 -1.851 749 HA ILE 94 HA ILE 94 16.473 15.771 -3.678 750 HB ILE 94 HB ILE 94 15.268 16.702 -1.060 751 1HG1 ILE 94 HG12 ILE 94 17.034 14.313 -1.656 752 2HG1 ILE 94 HG11 ILE 94 17.573 15.783 -0.855 753 1HG2 ILE 94 HG21 ILE 94 13.638 15.574 -2.478 754 2HG2 ILE 94 HG22 ILE 94 14.072 14.559 -1.102 755 3HG2 ILE 94 HG23 ILE 94 14.747 14.219 -2.696 756 1HD1 ILE 94 HD11 ILE 94 15.517 13.843 0.191 757 2HD1 ILE 94 HD12 ILE 94 16.026 15.328 0.993 758 3HD1 ILE 94 HD13 ILE 94 17.179 14.014 0.757 759 H LEU 95 HN LEU 95 15.359 18.945 -2.582 760 HA LEU 95 HA LEU 95 12.829 18.862 -3.832 761 1HB LEU 95 HB2 LEU 95 14.560 21.193 -3.039 762 2HB LEU 95 HB1 LEU 95 12.938 21.369 -3.673 763 HG LEU 95 HG LEU 95 13.720 20.021 -1.092 764 1HD1 LEU 95 HD11 LEU 95 13.785 22.462 -1.040 765 2HD1 LEU 95 HD12 LEU 95 12.457 21.835 -0.067 766 3HD1 LEU 95 HD13 LEU 95 12.136 22.524 -1.658 767 1HD2 LEU 95 HD21 LEU 95 11.312 19.737 -0.726 768 2HD2 LEU 95 HD22 LEU 95 11.868 18.830 -2.134 769 3HD2 LEU 95 HD23 LEU 95 10.998 20.350 -2.350 770 H LYS 96 HN LYS 96 16.009 19.671 -5.060 771 HA LYS 96 HA LYS 96 14.939 20.811 -7.484 772 1HB LYS 96 HB2 LYS 96 17.123 21.536 -6.566 773 2HB LYS 96 HB1 LYS 96 17.766 19.928 -6.873 774 1HG LYS 96 HG2 LYS 96 17.553 20.199 -9.220 775 2HG LYS 96 HG1 LYS 96 16.629 21.689 -9.026 776 1HD LYS 96 HD2 LYS 96 18.616 22.745 -8.013 777 2HD LYS 96 HD1 LYS 96 19.524 21.258 -8.306 778 1HE LYS 96 HE2 LYS 96 19.913 22.961 -10.046 779 2HE LYS 96 HE1 LYS 96 19.203 21.480 -10.687 780 1HZ LYS 96 HZ1 LYS 96 17.030 22.570 -10.673 781 2HZ LYS 96 HZ2 LYS 96 18.137 23.420 -11.629 782 3HZ LYS 96 HZ3 LYS 96 17.736 23.997 -10.089 783 H GLN 97 HN GLN 97 16.156 17.716 -6.410 784 HA GLN 97 HA GLN 97 16.213 16.578 -9.035 785 1HB GLN 97 HB2 GLN 97 16.743 15.630 -6.285 786 2HB GLN 97 HB1 GLN 97 16.255 14.410 -7.452 787 1HG GLN 97 HG2 GLN 97 18.750 14.843 -7.143 788 2HG GLN 97 HG1 GLN 97 18.123 14.751 -8.786 789 1HE2 GLN 97 HE21 GLN 97 19.370 16.863 -6.316 790 2HE2 GLN 97 HE22 GLN 97 19.717 18.208 -7.349 791 H ILE 98 HN ILE 98 13.855 16.723 -6.423 792 HA ILE 98 HA ILE 98 12.048 14.858 -7.583 793 HB ILE 98 HB ILE 98 11.889 15.574 -5.204 794 1HG1 ILE 98 HG12 ILE 98 9.414 16.068 -6.873 795 2HG1 ILE 98 HG11 ILE 98 9.973 14.509 -6.279 796 1HG2 ILE 98 HG21 ILE 98 10.838 18.151 -6.364 797 2HG2 ILE 98 HG22 ILE 98 12.340 17.941 -5.461 798 3HG2 ILE 98 HG23 ILE 98 10.787 17.698 -4.660 799 1HD1 ILE 98 HD11 ILE 98 9.589 15.242 -3.984 800 2HD1 ILE 98 HD12 ILE 98 8.120 15.355 -4.955 801 3HD1 ILE 98 HD13 ILE 98 9.041 16.811 -4.576 802 H ASP 99 HN ASP 99 12.824 18.159 -8.198 803 HA ASP 99 HA ASP 99 10.529 18.822 -9.755 804 1HB ASP 99 HB2 ASP 99 11.807 20.639 -8.896 805 2HB ASP 99 HB1 ASP 99 13.305 19.989 -9.552 806 H ASN 100 HN ASN 100 13.737 17.545 -10.451 807 HA ASN 100 HA ASN 100 13.125 17.395 -13.295 808 1HB ASN 100 HB2 ASN 100 15.340 18.217 -12.589 809 2HB ASN 100 HB1 ASN 100 15.659 16.677 -11.799 810 1HD2 ASN 100 HD21 ASN 100 17.485 16.373 -13.065 811 2HD2 ASN 100 HD22 ASN 100 17.376 15.892 -14.725 812 H LYS 101 HN LYS 101 11.358 15.841 -12.428 813 HA LYS 101 HA LYS 101 12.406 13.136 -12.907 814 1HB LYS 101 HB2 LYS 101 10.156 13.886 -11.023 815 2HB LYS 101 HB1 LYS 101 10.549 12.238 -11.495 816 1HG LYS 101 HG2 LYS 101 12.731 12.435 -10.456 817 2HG LYS 101 HG1 LYS 101 12.394 14.113 -10.030 818 1HD LYS 101 HD2 LYS 101 11.913 13.014 -8.055 819 2HD LYS 101 HD1 LYS 101 10.326 13.109 -8.811 820 1HE LYS 101 HE2 LYS 101 12.142 10.716 -9.023 821 2HE LYS 101 HE1 LYS 101 10.904 10.893 -7.784 822 1HZ LYS 101 HZ1 LYS 101 9.257 11.092 -9.627 823 2HZ LYS 101 HZ2 LYS 101 10.021 9.583 -9.528 824 3HZ LYS 101 HZ3 LYS 101 10.494 10.690 -10.721 825 H GLY 102 HN GLY 102 11.963 13.611 -15.133 826 1HA GLY 102 HA2 GLY 102 9.376 12.763 -15.961 827 2HA GLY 102 HA1 GLY 102 9.571 14.494 -16.198 828 H GLU 103 HN GLU 103 10.852 11.331 -17.045 829 HA GLU 103 HA GLU 103 12.486 12.459 -19.164 830 1HB GLU 103 HB2 GLU 103 12.059 9.634 -18.191 831 2HB GLU 103 HB1 GLU 103 13.066 10.034 -19.577 832 1HG GLU 103 HG2 GLU 103 13.483 11.002 -16.758 833 2HG GLU 103 HG1 GLU 103 14.396 9.726 -17.564 834 H LEU 104 HN LEU 104 9.387 12.255 -19.024 835 HA LEU 104 HA LEU 104 8.858 10.861 -21.518 836 1HB LEU 104 HB2 LEU 104 7.032 12.447 -19.702 837 2HB LEU 104 HB1 LEU 104 6.512 11.640 -21.167 838 HG LEU 104 HG LEU 104 7.375 9.478 -20.070 839 1HD1 LEU 104 HD11 LEU 104 7.168 11.221 -17.620 840 2HD1 LEU 104 HD12 LEU 104 8.641 10.494 -18.261 841 3HD1 LEU 104 HD13 LEU 104 7.356 9.467 -17.628 842 1HD2 LEU 104 HD21 LEU 104 5.024 9.946 -20.421 843 2HD2 LEU 104 HD22 LEU 104 4.976 10.910 -18.945 844 3HD2 LEU 104 HD23 LEU 104 5.271 9.174 -18.856 845 H GLU 105 HN GLU 105 9.569 11.879 -23.265 846 HA GLU 105 HA GLU 105 9.758 14.787 -23.245 847 1HB GLU 105 HB2 GLU 105 11.432 12.763 -24.146 848 2HB GLU 105 HB1 GLU 105 10.761 13.437 -25.623 849 1HG GLU 105 HG2 GLU 105 12.220 14.957 -23.474 850 2HG GLU 105 HG1 GLU 105 12.853 14.508 -25.056 851 H HIS 106 HN HIS 106 8.934 16.104 -24.839 852 HA HIS 106 HA HIS 106 7.378 14.973 -27.016 853 1HB HIS 106 HB2 HIS 106 6.198 16.541 -24.779 854 2HB HIS 106 HB1 HIS 106 5.657 16.939 -26.405 855 HD1 HIS 106 HD1 HIS 106 4.556 14.928 -27.783 856 HD2 HIS 106 HD2 HIS 106 5.052 14.290 -23.699 857 HE1 HIS 106 HE1 HIS 106 3.088 12.967 -27.217 858 HE2 HIS 106 HE2 HIS 106 3.270 12.707 -24.721 859 H HIS 107 HN HIS 107 8.400 15.850 -28.692 860 HA HIS 107 HA HIS 107 9.454 18.580 -28.406 861 1HB HIS 107 HB2 HIS 107 11.122 18.020 -30.068 862 2HB HIS 107 HB1 HIS 107 11.143 16.804 -28.800 863 HD1 HIS 107 HD1 HIS 107 11.571 16.955 -32.232 864 HD2 HIS 107 HD2 HIS 107 9.214 14.546 -29.790 865 HE1 HIS 107 HE1 HIS 107 11.046 14.904 -33.596 866 HE2 HIS 107 HE2 HIS 107 9.814 13.372 -32.015 867 H HIS 108 HN HIS 108 9.259 20.068 -30.075 868 HA HIS 108 HA HIS 108 6.851 19.992 -31.574 869 1HB HIS 108 HB2 HIS 108 7.772 22.113 -30.855 870 2HB HIS 108 HB1 HIS 108 9.267 21.810 -31.728 871 HD1 HIS 108 HD1 HIS 108 5.710 22.911 -32.238 872 HD2 HIS 108 HD2 HIS 108 9.188 22.393 -34.468 873 HE1 HIS 108 HE1 HIS 108 5.275 24.022 -34.450 874 HE2 HIS 108 HE2 HIS 108 7.437 23.831 -35.726 875 H HIS 109 HN HIS 109 6.521 18.716 -33.272 876 HA HIS 109 HA HIS 109 8.636 17.794 -34.978 877 1HB HIS 109 HB2 HIS 109 6.454 16.568 -34.503 878 2HB HIS 109 HB1 HIS 109 5.660 17.747 -35.540 879 HD1 HIS 109 HD1 HIS 109 5.732 17.332 -38.024 880 HD2 HIS 109 HD2 HIS 109 8.287 14.834 -35.888 881 HE1 HIS 109 HE1 HIS 109 6.560 15.631 -39.675 882 HE2 HIS 109 HE2 HIS 109 7.908 14.007 -38.316 883 H HIS 110 HN HIS 110 9.279 18.653 -36.954 884 HA HIS 110 HA HIS 110 8.969 21.430 -37.230 885 1HB HIS 110 HB2 HIS 110 10.009 19.411 -39.227 886 2HB HIS 110 HB1 HIS 110 10.145 21.156 -39.414 887 HD1 HIS 110 HD1 HIS 110 12.324 18.641 -38.747 888 HD2 HIS 110 HD2 HIS 110 11.311 22.026 -36.549 889 HE1 HIS 110 HE1 HIS 110 14.253 19.039 -37.183 890 HE2 HIS 110 HE2 HIS 110 13.680 21.168 -35.959 891 H HIS 111 HN HIS 111 7.857 18.926 -39.530 892 HA HIS 111 HA HIS 111 5.444 20.555 -39.936 893 1HB HIS 111 HB2 HIS 111 7.033 19.189 -42.127 894 2HB HIS 111 HB1 HIS 111 5.460 19.945 -42.346 895 HD1 HIS 111 HD1 HIS 111 8.727 20.641 -43.174 896 HD2 HIS 111 HD2 HIS 111 5.836 22.849 -41.157 897 HE1 HIS 111 HE1 HIS 111 9.452 23.038 -43.360 898 HE2 HIS 111 HE2 HIS 111 7.805 24.325 -41.959 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -3.764 0.382 2.120 2 2H MET 1 HT2 MET 1 -4.743 -0.258 0.893 3 3H MET 1 HT3 MET 1 -4.547 -1.105 2.347 4 HA MET 1 HA MET 1 -5.699 0.578 3.562 5 1HB MET 1 HB2 MET 1 -4.967 2.511 2.298 6 2HB MET 1 HB1 MET 1 -5.830 1.956 0.872 7 1HG MET 1 HG2 MET 1 -7.428 2.394 3.318 8 2HG MET 1 HG1 MET 1 -6.774 3.822 2.516 9 1HE MET 1 HE1 MET 1 -8.358 3.653 -1.021 10 2HE MET 1 HE2 MET 1 -6.762 3.095 -0.518 11 3HE MET 1 HE3 MET 1 -7.407 4.610 0.116 12 H PHE 2 HN PHE 2 -7.858 0.180 3.970 13 HA PHE 2 HA PHE 2 -9.185 -1.559 1.983 14 1HB PHE 2 HB2 PHE 2 -9.487 -1.603 4.994 15 2HB PHE 2 HB1 PHE 2 -10.266 -2.698 3.858 16 HD1 PHE 2 HD1 PHE 2 -8.819 -4.265 2.513 17 HD2 PHE 2 HD2 PHE 2 -7.351 -2.037 5.828 18 HE1 PHE 2 HE1 PHE 2 -6.914 -5.812 2.704 19 HE2 PHE 2 HE2 PHE 2 -5.442 -3.576 6.025 20 HZ PHE 2 HZ PHE 2 -5.222 -5.467 4.462 21 H THR 3 HN THR 3 -11.338 -1.218 1.508 22 HA THR 3 HA THR 3 -12.686 0.964 2.944 23 HB THR 3 HB THR 3 -13.799 1.579 0.759 24 HG1 THR 3 HG1 THR 3 -12.211 -0.465 -0.115 25 1HG2 THR 3 HG21 THR 3 -11.926 2.949 -0.028 26 2HG2 THR 3 HG22 THR 3 -10.817 1.988 0.950 27 3HG2 THR 3 HG23 THR 3 -12.055 2.970 1.731 28 H ALA 4 HN ALA 4 -14.837 0.700 3.349 29 HA ALA 4 HA ALA 4 -16.085 -1.798 2.390 30 1HB ALA 4 HB1 ALA 4 -16.587 -0.364 4.998 31 2HB ALA 4 HB2 ALA 4 -15.664 -1.854 4.802 32 3HB ALA 4 HB3 ALA 4 -17.392 -1.835 4.452 33 H LYS 5 HN LYS 5 -18.186 -1.662 1.602 34 HA LYS 5 HA LYS 5 -19.182 1.085 1.263 35 1HB LYS 5 HB2 LYS 5 -18.180 0.278 -0.798 36 2HB LYS 5 HB1 LYS 5 -19.174 -1.167 -0.747 37 1HG LYS 5 HG2 LYS 5 -21.160 0.114 -1.134 38 2HG LYS 5 HG1 LYS 5 -20.258 1.627 -1.005 39 1HD LYS 5 HD2 LYS 5 -20.738 0.941 -3.351 40 2HD LYS 5 HD1 LYS 5 -19.018 1.127 -3.000 41 1HE LYS 5 HE2 LYS 5 -18.787 -1.271 -2.744 42 2HE LYS 5 HE1 LYS 5 -20.515 -1.491 -3.011 43 1HZ LYS 5 HZ1 LYS 5 -18.504 -0.528 -4.967 44 2HZ LYS 5 HZ2 LYS 5 -20.176 -0.482 -5.242 45 3HZ LYS 5 HZ3 LYS 5 -19.395 -1.970 -5.029 46 H LEU 6 HN LEU 6 -21.102 1.421 2.042 47 HA LEU 6 HA LEU 6 -22.809 -0.681 2.965 48 1HB LEU 6 HB2 LEU 6 -22.579 1.557 4.045 49 2HB LEU 6 HB1 LEU 6 -23.352 2.282 2.656 50 HG LEU 6 HG LEU 6 -24.756 1.940 4.759 51 1HD1 LEU 6 HD11 LEU 6 -25.764 0.821 2.152 52 2HD1 LEU 6 HD12 LEU 6 -25.737 2.522 2.617 53 3HD1 LEU 6 HD13 LEU 6 -26.763 1.386 3.491 54 1HD2 LEU 6 HD21 LEU 6 -25.793 -0.261 5.011 55 2HD2 LEU 6 HD22 LEU 6 -24.051 -0.319 5.288 56 3HD2 LEU 6 HD23 LEU 6 -24.722 -0.903 3.764 57 H ILE 7 HN ILE 7 -24.324 -1.738 1.817 58 HA ILE 7 HA ILE 7 -25.041 -0.609 -0.813 59 HB ILE 7 HB ILE 7 -25.483 -2.875 -1.580 60 1HG1 ILE 7 HG12 ILE 7 -24.420 -3.854 1.072 61 2HG1 ILE 7 HG11 ILE 7 -26.138 -3.737 0.711 62 1HG2 ILE 7 HG21 ILE 7 -23.248 -1.975 -1.868 63 2HG2 ILE 7 HG22 ILE 7 -23.184 -3.715 -1.588 64 3HG2 ILE 7 HG23 ILE 7 -22.778 -2.597 -0.286 65 1HD1 ILE 7 HD11 ILE 7 -25.897 -5.337 -1.085 66 2HD1 ILE 7 HD12 ILE 7 -25.268 -6.004 0.423 67 3HD1 ILE 7 HD13 ILE 7 -24.158 -5.412 -0.810 68 H LYS 8 HN LYS 8 -26.278 -1.398 2.240 69 HA LYS 8 HA LYS 8 -29.020 -1.112 1.247 70 1HB LYS 8 HB2 LYS 8 -28.490 -3.552 1.515 71 2HB LYS 8 HB1 LYS 8 -28.187 -3.245 3.208 72 1HG LYS 8 HG2 LYS 8 -30.517 -2.459 3.449 73 2HG LYS 8 HG1 LYS 8 -30.802 -2.941 1.775 74 1HD LYS 8 HD2 LYS 8 -30.288 -5.232 2.294 75 2HD LYS 8 HD1 LYS 8 -29.815 -4.796 3.936 76 1HE LYS 8 HE2 LYS 8 -32.146 -4.011 4.325 77 2HE LYS 8 HE1 LYS 8 -32.571 -4.634 2.730 78 1HZ LYS 8 HZ1 LYS 8 -31.988 -6.838 3.428 79 2HZ LYS 8 HZ2 LYS 8 -33.079 -6.191 4.557 80 3HZ LYS 8 HZ3 LYS 8 -31.430 -6.271 4.926 81 H GLY 9 HN GLY 9 -29.716 0.673 2.265 82 1HA GLY 9 HA2 GLY 9 -30.736 1.057 4.568 83 2HA GLY 9 HA1 GLY 9 -29.078 0.944 5.134 84 H LYS 10 HN LYS 10 -28.694 2.387 2.273 85 HA LYS 10 HA LYS 10 -28.504 4.500 1.467 86 1HB LYS 10 HB2 LYS 10 -30.837 4.868 2.200 87 2HB LYS 10 HB1 LYS 10 -30.251 5.342 3.787 88 1HG LYS 10 HG2 LYS 10 -28.989 7.193 2.664 89 2HG LYS 10 HG1 LYS 10 -29.837 6.774 1.177 90 1HD LYS 10 HD2 LYS 10 -31.216 7.511 3.755 91 2HD LYS 10 HD1 LYS 10 -30.851 8.663 2.475 92 1HE LYS 10 HE2 LYS 10 -33.106 8.029 2.172 93 2HE LYS 10 HE1 LYS 10 -32.190 7.188 0.926 94 1HZ LYS 10 HZ1 LYS 10 -32.392 5.161 2.062 95 2HZ LYS 10 HZ2 LYS 10 -33.932 5.860 2.163 96 3HZ LYS 10 HZ3 LYS 10 -32.893 5.904 3.502 97 H THR 11 HN THR 11 -28.433 4.548 5.019 98 HA THR 11 HA THR 11 -25.659 5.435 4.951 99 HB THR 11 HB THR 11 -26.347 7.101 6.866 100 HG1 THR 11 HG1 THR 11 -28.660 6.348 6.475 101 1HG2 THR 11 HG21 THR 11 -25.241 7.789 4.820 102 2HG2 THR 11 HG22 THR 11 -26.537 8.918 5.212 103 3HG2 THR 11 HG23 THR 11 -26.768 7.717 3.941 104 H TYR 12 HN TYR 12 -24.485 4.749 6.724 105 HA TYR 12 HA TYR 12 -25.845 3.711 9.060 106 1HB TYR 12 HB2 TYR 12 -25.813 1.830 7.359 107 2HB TYR 12 HB1 TYR 12 -24.057 1.864 7.463 108 HD1 TYR 12 HD2 TYR 12 -27.160 1.132 9.317 109 HD2 TYR 12 HD1 TYR 12 -22.914 0.883 9.324 110 HE1 TYR 12 HE2 TYR 12 -27.259 -0.396 11.244 111 HE2 TYR 12 HE1 TYR 12 -23.000 -0.644 11.247 112 HH TYR 12 HH TYR 12 -24.620 -1.109 13.155 113 H ASN 13 HN ASN 13 -24.544 3.726 10.863 114 HA ASN 13 HA ASN 13 -21.867 4.890 10.454 115 1HB ASN 13 HB2 ASN 13 -23.540 6.251 11.722 116 2HB ASN 13 HB1 ASN 13 -23.592 4.980 12.939 117 1HD2 ASN 13 HD21 ASN 13 -21.899 7.674 11.706 118 2HD2 ASN 13 HD22 ASN 13 -20.640 7.713 12.901 119 H VAL 14 HN VAL 14 -20.130 3.757 11.034 120 HA VAL 14 HA VAL 14 -20.451 1.608 13.028 121 HB VAL 14 HB VAL 14 -18.664 1.536 10.587 122 1HG1 VAL 14 HG11 VAL 14 -17.574 0.490 12.476 123 2HG1 VAL 14 HG12 VAL 14 -18.095 -0.740 11.324 124 3HG1 VAL 14 HG13 VAL 14 -19.014 -0.475 12.805 125 1HG2 VAL 14 HG21 VAL 14 -21.088 -0.112 11.299 126 2HG2 VAL 14 HG22 VAL 14 -20.043 -0.376 9.902 127 3HG2 VAL 14 HG23 VAL 14 -20.988 1.107 10.029 128 H MET 15 HN MET 15 -19.625 2.613 14.780 129 HA MET 15 HA MET 15 -18.095 3.489 16.216 130 1HB MET 15 HB2 MET 15 -16.151 2.259 14.256 131 2HB MET 15 HB1 MET 15 -15.740 2.808 15.875 132 1HG MET 15 HG2 MET 15 -17.285 1.160 16.819 133 2HG MET 15 HG1 MET 15 -17.674 0.606 15.192 134 1HE MET 15 HE1 MET 15 -16.713 -1.335 17.517 135 2HE MET 15 HE2 MET 15 -15.568 -2.355 16.646 136 3HE MET 15 HE3 MET 15 -17.087 -1.888 15.883 137 H GLY 16 HN GLY 16 -19.049 5.223 14.119 138 1HA GLY 16 HA2 GLY 16 -18.511 7.567 14.058 139 2HA GLY 16 HA1 GLY 16 -16.809 7.136 14.125 140 H ILE 17 HN ILE 17 -17.325 4.962 12.106 141 HA ILE 17 HA ILE 17 -16.771 6.551 9.782 142 HB ILE 17 HB ILE 17 -17.353 3.587 9.844 143 1HG1 ILE 17 HG12 ILE 17 -15.608 4.066 11.492 144 2HG1 ILE 17 HG11 ILE 17 -14.929 3.235 10.098 145 1HG2 ILE 17 HG21 ILE 17 -15.733 5.289 7.958 146 2HG2 ILE 17 HG22 ILE 17 -17.317 4.586 7.631 147 3HG2 ILE 17 HG23 ILE 17 -15.917 3.537 7.861 148 1HD1 ILE 17 HD11 ILE 17 -14.063 5.347 9.253 149 2HD1 ILE 17 HD12 ILE 17 -13.472 5.012 10.880 150 3HD1 ILE 17 HD13 ILE 17 -14.762 6.191 10.636 151 H THR 18 HN THR 18 -18.272 7.438 8.499 152 HA THR 18 HA THR 18 -21.030 6.479 8.761 153 HB THR 18 HB THR 18 -20.084 9.066 7.515 154 HG1 THR 18 HG1 THR 18 -20.009 8.351 10.055 155 1HG2 THR 18 HG21 THR 18 -22.793 8.178 8.528 156 2HG2 THR 18 HG22 THR 18 -22.330 8.357 6.835 157 3HG2 THR 18 HG23 THR 18 -22.408 9.774 7.882 158 H PHE 19 HN PHE 19 -21.470 4.959 7.312 159 HA PHE 19 HA PHE 19 -20.330 5.092 4.633 160 1HB PHE 19 HB2 PHE 19 -22.015 2.968 5.969 161 2HB PHE 19 HB1 PHE 19 -21.327 2.846 4.355 162 HD1 PHE 19 HD1 PHE 19 -18.821 2.883 4.115 163 HD2 PHE 19 HD2 PHE 19 -20.786 2.367 7.851 164 HE1 PHE 19 HE1 PHE 19 -16.770 1.906 5.056 165 HE2 PHE 19 HE2 PHE 19 -18.738 1.391 8.797 166 HZ PHE 19 HZ PHE 19 -16.727 1.160 7.399 167 H ARG 20 HN ARG 20 -21.600 4.958 2.760 168 HA ARG 20 HA ARG 20 -24.451 5.596 3.039 169 1HB ARG 20 HB2 ARG 20 -22.470 6.983 1.217 170 2HB ARG 20 HB1 ARG 20 -24.215 7.166 1.103 171 1HG ARG 20 HG2 ARG 20 -24.312 8.209 3.249 172 2HG ARG 20 HG1 ARG 20 -22.609 7.859 3.550 173 1HD ARG 20 HD2 ARG 20 -21.960 9.338 1.742 174 2HD ARG 20 HD1 ARG 20 -23.653 9.634 1.345 175 HE ARG 20 HE ARG 20 -23.845 10.997 3.221 176 1HH1 ARG 20 HH11 ARG 20 -20.653 9.592 2.993 177 2HH1 ARG 20 HH12 ARG 20 -19.954 10.643 4.185 178 1HH2 ARG 20 HH21 ARG 20 -22.946 12.387 4.806 179 2HH2 ARG 20 HH22 ARG 20 -21.267 12.213 5.240 180 H ALA 21 HN ALA 21 -25.739 4.901 1.251 181 HA ALA 21 HA ALA 21 -25.072 2.489 0.057 182 1HB ALA 21 HB1 ALA 21 -27.363 3.325 0.252 183 2HB ALA 21 HB2 ALA 21 -26.989 2.841 -1.403 184 3HB ALA 21 HB3 ALA 21 -27.020 4.551 -0.969 185 H GLY 22 HN GLY 22 -23.413 2.122 -1.240 186 1HA GLY 22 HA2 GLY 22 -22.416 2.123 -3.371 187 2HA GLY 22 HA1 GLY 22 -23.206 3.654 -3.718 188 H VAL 23 HN VAL 23 -21.811 3.787 -0.690 189 HA VAL 23 HA VAL 23 -19.429 5.117 -1.802 190 HB VAL 23 HB VAL 23 -20.923 5.763 0.746 191 1HG1 VAL 23 HG11 VAL 23 -18.481 7.066 -0.457 192 2HG1 VAL 23 HG12 VAL 23 -18.530 6.111 1.025 193 3HG1 VAL 23 HG13 VAL 23 -19.375 7.658 0.944 194 1HG2 VAL 23 HG21 VAL 23 -20.633 7.314 -1.827 195 2HG2 VAL 23 HG22 VAL 23 -21.452 7.879 -0.370 196 3HG2 VAL 23 HG23 VAL 23 -22.093 6.500 -1.264 197 H SER 24 HN SER 24 -17.751 3.807 -1.580 198 HA SER 24 HA SER 24 -17.408 2.145 0.763 199 1HB SER 24 HB2 SER 24 -15.246 1.531 -0.406 200 2HB SER 24 HB1 SER 24 -16.711 1.185 -1.324 201 HG SER 24 HG SER 24 -15.611 3.702 -1.716 202 H GLN 25 HN GLN 25 -16.634 3.006 2.600 203 HA GLN 25 HA GLN 25 -14.652 5.177 2.358 204 1HB GLN 25 HB2 GLN 25 -16.954 5.396 3.690 205 2HB GLN 25 HB1 GLN 25 -16.000 4.643 4.964 206 1HG GLN 25 HG2 GLN 25 -14.308 6.439 4.674 207 2HG GLN 25 HG1 GLN 25 -15.399 7.221 3.533 208 1HE2 GLN 25 HE21 GLN 25 -17.336 8.122 4.307 209 2HE2 GLN 25 HE22 GLN 25 -17.553 8.496 5.983 210 H THR 26 HN THR 26 -12.944 5.183 4.031 211 HA THR 26 HA THR 26 -11.590 2.700 3.974 212 HB THR 26 HB THR 26 -9.951 3.938 5.512 213 HG1 THR 26 HG1 THR 26 -11.004 5.601 6.399 214 1HG2 THR 26 HG21 THR 26 -9.645 3.752 3.093 215 2HG2 THR 26 HG22 THR 26 -9.138 5.338 3.672 216 3HG2 THR 26 HG23 THR 26 -10.686 5.154 2.847 217 H VAL 27 HN VAL 27 -11.325 1.135 5.459 218 HA VAL 27 HA VAL 27 -12.436 1.579 8.148 219 HB VAL 27 HB VAL 27 -13.280 -0.731 8.200 220 1HG1 VAL 27 HG11 VAL 27 -14.803 1.073 7.644 221 2HG1 VAL 27 HG12 VAL 27 -15.229 -0.393 6.759 222 3HG1 VAL 27 HG13 VAL 27 -14.386 0.920 5.936 223 1HG2 VAL 27 HG21 VAL 27 -11.815 -1.739 6.539 224 2HG2 VAL 27 HG22 VAL 27 -12.581 -0.788 5.264 225 3HG2 VAL 27 HG23 VAL 27 -13.506 -2.018 6.126 226 HA PRO 28 HA PRO 28 -8.591 -0.119 9.626 227 1HB PRO 28 HB2 PRO 28 -10.182 -0.978 11.960 228 2HB PRO 28 HB1 PRO 28 -8.789 0.102 11.891 229 1HG PRO 28 HG2 PRO 28 -11.243 1.050 12.355 230 2HG PRO 28 HG1 PRO 28 -10.086 1.951 11.353 231 1HD PRO 28 HD2 PRO 28 -12.388 0.226 10.499 232 2HD PRO 28 HD1 PRO 28 -11.879 1.811 9.878 233 H LYS 29 HN LYS 29 -7.760 -2.177 10.538 234 HA LYS 29 HA LYS 29 -8.388 -4.300 8.871 235 1HB LYS 29 HB2 LYS 29 -6.911 -5.651 10.293 236 2HB LYS 29 HB1 LYS 29 -6.222 -4.071 9.952 237 1HG LYS 29 HG2 LYS 29 -6.887 -3.290 12.163 238 2HG LYS 29 HG1 LYS 29 -7.612 -4.861 12.506 239 1HD LYS 29 HD2 LYS 29 -5.477 -4.842 13.547 240 2HD LYS 29 HD1 LYS 29 -5.340 -5.873 12.123 241 1HE LYS 29 HE2 LYS 29 -3.396 -4.446 12.296 242 2HE LYS 29 HE1 LYS 29 -4.349 -3.990 10.885 243 1HZ LYS 29 HZ1 LYS 29 -4.635 -2.603 13.486 244 2HZ LYS 29 HZ2 LYS 29 -5.128 -2.072 11.951 245 3HZ LYS 29 HZ3 LYS 29 -3.479 -2.129 12.340 246 H LYS 30 HN LYS 30 -9.528 -3.698 12.188 247 HA LYS 30 HA LYS 30 -10.705 -6.304 12.403 248 1HB LYS 30 HB2 LYS 30 -11.150 -3.849 14.108 249 2HB LYS 30 HB1 LYS 30 -11.686 -5.477 14.500 250 1HG LYS 30 HG2 LYS 30 -9.255 -6.163 14.385 251 2HG LYS 30 HG1 LYS 30 -8.874 -4.439 14.336 252 1HD LYS 30 HD2 LYS 30 -10.437 -5.828 16.514 253 2HD LYS 30 HD1 LYS 30 -8.737 -5.370 16.612 254 1HE LYS 30 HE2 LYS 30 -9.359 -3.017 16.346 255 2HE LYS 30 HE1 LYS 30 -11.059 -3.478 16.247 256 1HZ LYS 30 HZ1 LYS 30 -9.285 -3.935 18.589 257 2HZ LYS 30 HZ2 LYS 30 -10.929 -4.345 18.492 258 3HZ LYS 30 HZ3 LYS 30 -10.461 -2.717 18.469 259 H LEU 31 HN LEU 31 -11.849 -3.128 11.452 260 HA LEU 31 HA LEU 31 -14.609 -3.895 11.499 261 1HB LEU 31 HB2 LEU 31 -13.190 -1.500 10.359 262 2HB LEU 31 HB1 LEU 31 -14.919 -1.743 10.186 263 HG LEU 31 HG LEU 31 -13.395 -1.379 12.766 264 1HD1 LEU 31 HD11 LEU 31 -13.782 0.689 11.556 265 2HD1 LEU 31 HD12 LEU 31 -14.806 0.615 12.989 266 3HD1 LEU 31 HD13 LEU 31 -15.495 0.298 11.398 267 1HD2 LEU 31 HD21 LEU 31 -15.155 -3.046 13.050 268 2HD2 LEU 31 HD22 LEU 31 -16.327 -1.935 12.342 269 3HD2 LEU 31 HD23 LEU 31 -15.558 -1.544 13.881 270 H TYR 32 HN TYR 32 -12.030 -4.034 9.178 271 HA TYR 32 HA TYR 32 -13.527 -4.374 6.835 272 1HB TYR 32 HB2 TYR 32 -11.062 -4.079 6.877 273 2HB TYR 32 HB1 TYR 32 -10.897 -5.697 7.551 274 HD1 TYR 32 HD1 TYR 32 -12.016 -3.824 4.553 275 HD2 TYR 32 HD2 TYR 32 -10.874 -7.602 6.142 276 HE1 TYR 32 HE1 TYR 32 -11.951 -4.752 2.278 277 HE2 TYR 32 HE2 TYR 32 -10.805 -8.542 3.870 278 HH TYR 32 HH TYR 32 -11.684 -8.129 1.680 279 H GLU 33 HN GLU 33 -12.506 -6.707 9.295 280 HA GLU 33 HA GLU 33 -13.746 -8.920 7.938 281 1HB GLU 33 HB2 GLU 33 -11.770 -9.205 9.411 282 2HB GLU 33 HB1 GLU 33 -12.760 -8.749 10.792 283 1HG GLU 33 HG2 GLU 33 -14.203 -10.687 10.384 284 2HG GLU 33 HG1 GLU 33 -13.179 -11.151 9.026 285 H TYR 34 HN TYR 34 -14.559 -6.785 10.618 286 HA TYR 34 HA TYR 34 -16.860 -8.047 11.552 287 1HB TYR 34 HB2 TYR 34 -15.865 -6.213 12.767 288 2HB TYR 34 HB1 TYR 34 -16.155 -5.106 11.431 289 HD1 TYR 34 HD1 TYR 34 -17.861 -7.145 14.027 290 HD2 TYR 34 HD2 TYR 34 -18.179 -3.919 11.268 291 HE1 TYR 34 HE1 TYR 34 -20.008 -6.497 15.038 292 HE2 TYR 34 HE2 TYR 34 -20.325 -3.265 12.270 293 HH TYR 34 HH TYR 34 -22.162 -4.352 13.584 294 H LEU 35 HN LEU 35 -16.461 -5.707 8.923 295 HA LEU 35 HA LEU 35 -19.287 -5.771 8.308 296 1HB LEU 35 HB2 LEU 35 -16.984 -4.428 6.891 297 2HB LEU 35 HB1 LEU 35 -18.677 -4.220 6.482 298 HG LEU 35 HG LEU 35 -17.434 -3.452 9.126 299 1HD1 LEU 35 HD11 LEU 35 -18.290 -1.744 6.798 300 2HD1 LEU 35 HD12 LEU 35 -16.632 -2.032 7.326 301 3HD1 LEU 35 HD13 LEU 35 -17.748 -1.150 8.368 302 1HD2 LEU 35 HD21 LEU 35 -19.563 -2.323 9.532 303 2HD2 LEU 35 HD22 LEU 35 -19.786 -4.060 9.320 304 3HD2 LEU 35 HD23 LEU 35 -20.190 -2.953 8.007 305 H ASN 36 HN ASN 36 -16.430 -7.427 7.321 306 HA ASN 36 HA ASN 36 -17.250 -8.375 4.801 307 1HB ASN 36 HB2 ASN 36 -14.963 -8.676 5.556 308 2HB ASN 36 HB1 ASN 36 -15.499 -9.658 6.913 309 1HD2 ASN 36 HD21 ASN 36 -16.050 -11.792 6.581 310 2HD2 ASN 36 HD22 ASN 36 -15.718 -12.620 5.099 311 H GLU 37 HN GLU 37 -17.908 -9.432 8.068 312 HA GLU 37 HA GLU 37 -19.570 -11.643 7.154 313 1HB GLU 37 HB2 GLU 37 -18.079 -11.034 9.515 314 2HB GLU 37 HB1 GLU 37 -19.765 -11.242 9.967 315 1HG GLU 37 HG2 GLU 37 -18.396 -13.311 10.090 316 2HG GLU 37 HG1 GLU 37 -19.820 -13.438 9.059 317 H ASN 38 HN ASN 38 -20.226 -8.773 6.687 318 HA ASN 38 HA ASN 38 -22.816 -8.687 8.088 319 1HB ASN 38 HB2 ASN 38 -21.229 -6.839 8.670 320 2HB ASN 38 HB1 ASN 38 -21.248 -6.343 6.983 321 1HD2 ASN 38 HD21 ASN 38 -22.092 -5.023 9.512 322 2HD2 ASN 38 HD22 ASN 38 -23.715 -4.507 9.224 323 HA PRO 39 HA PRO 39 -24.408 -9.687 4.093 324 1HB PRO 39 HB2 PRO 39 -27.028 -9.027 4.626 325 2HB PRO 39 HB1 PRO 39 -26.262 -10.555 5.069 326 1HG PRO 39 HG2 PRO 39 -26.741 -8.119 6.735 327 2HG PRO 39 HG1 PRO 39 -26.917 -9.830 7.171 328 1HD PRO 39 HD2 PRO 39 -24.784 -8.402 7.940 329 2HD PRO 39 HD1 PRO 39 -24.639 -10.113 7.484 330 H TYR 40 HN TYR 40 -25.082 -6.508 5.528 331 HA TYR 40 HA TYR 40 -25.917 -5.570 2.881 332 1HB TYR 40 HB2 TYR 40 -26.556 -3.454 4.229 333 2HB TYR 40 HB1 TYR 40 -27.570 -4.885 4.324 334 HD1 TYR 40 HD1 TYR 40 -27.596 -6.237 6.369 335 HD2 TYR 40 HD2 TYR 40 -25.395 -2.612 6.134 336 HE1 TYR 40 HE1 TYR 40 -27.475 -6.166 8.827 337 HE2 TYR 40 HE2 TYR 40 -25.256 -2.527 8.592 338 HH TYR 40 HH TYR 40 -26.574 -3.431 10.545 339 H PHE 41 HN PHE 41 -23.098 -6.038 3.795 340 HA PHE 41 HA PHE 41 -22.114 -3.430 2.865 341 1HB PHE 41 HB2 PHE 41 -21.135 -5.066 5.170 342 2HB PHE 41 HB1 PHE 41 -19.980 -4.116 4.244 343 HD1 PHE 41 HD1 PHE 41 -20.079 -1.692 4.245 344 HD2 PHE 41 HD2 PHE 41 -22.765 -4.013 6.587 345 HE1 PHE 41 HE1 PHE 41 -20.657 0.306 5.553 346 HE2 PHE 41 HE2 PHE 41 -23.351 -2.018 7.899 347 HZ PHE 41 HZ PHE 41 -22.296 0.147 7.384 348 H ILE 42 HN ILE 42 -21.221 -3.662 0.929 349 HA ILE 42 HA ILE 42 -19.647 -6.096 0.404 350 HB ILE 42 HB ILE 42 -20.745 -4.050 -1.536 351 1HG1 ILE 42 HG12 ILE 42 -21.311 -7.003 -1.178 352 2HG1 ILE 42 HG11 ILE 42 -22.373 -5.692 -0.682 353 1HG2 ILE 42 HG21 ILE 42 -19.001 -6.450 -2.092 354 2HG2 ILE 42 HG22 ILE 42 -18.532 -4.758 -2.263 355 3HG2 ILE 42 HG23 ILE 42 -19.774 -5.439 -3.314 356 1HD1 ILE 42 HD11 ILE 42 -21.567 -6.329 -3.510 357 2HD1 ILE 42 HD12 ILE 42 -22.648 -5.028 -3.011 358 3HD1 ILE 42 HD13 ILE 42 -23.116 -6.710 -2.760 359 H LEU 43 HN LEU 43 -17.580 -5.869 0.860 360 HA LEU 43 HA LEU 43 -16.448 -3.195 1.033 361 1HB LEU 43 HB2 LEU 43 -15.351 -5.865 1.918 362 2HB LEU 43 HB1 LEU 43 -14.542 -4.328 2.149 363 HG LEU 43 HG LEU 43 -16.657 -3.642 3.460 364 1HD1 LEU 43 HD11 LEU 43 -18.066 -5.507 2.773 365 2HD1 LEU 43 HD12 LEU 43 -17.854 -5.477 4.524 366 3HD1 LEU 43 HD13 LEU 43 -16.957 -6.639 3.547 367 1HD2 LEU 43 HD21 LEU 43 -14.484 -3.992 4.480 368 2HD2 LEU 43 HD22 LEU 43 -14.776 -5.730 4.545 369 3HD2 LEU 43 HD23 LEU 43 -15.765 -4.632 5.509 370 H THR 44 HN THR 44 -14.110 -2.992 0.373 371 HA THR 44 HA THR 44 -13.280 -4.627 -1.870 372 HB THR 44 HB THR 44 -13.735 -1.650 -2.242 373 HG1 THR 44 HG1 THR 44 -15.415 -3.723 -2.527 374 1HG2 THR 44 HG21 THR 44 -13.108 -2.078 -4.575 375 2HG2 THR 44 HG22 THR 44 -12.790 -3.768 -4.182 376 3HG2 THR 44 HG23 THR 44 -11.794 -2.496 -3.475 377 H GLN 45 HN GLN 45 -11.129 -4.864 -1.761 378 HA GLN 45 HA GLN 45 -9.631 -3.131 0.027 379 1HB GLN 45 HB2 GLN 45 -7.791 -4.716 -0.256 380 2HB GLN 45 HB1 GLN 45 -9.271 -5.555 0.188 381 1HG GLN 45 HG2 GLN 45 -9.579 -6.354 -2.029 382 2HG GLN 45 HG1 GLN 45 -8.292 -5.317 -2.644 383 1HE2 GLN 45 HE21 GLN 45 -9.052 -8.212 -0.892 384 2HE2 GLN 45 HE22 GLN 45 -7.455 -8.880 -0.902 385 H GLU 46 HN GLU 46 -8.158 -1.680 -0.574 386 HA GLU 46 HA GLU 46 -7.839 -1.186 -3.443 387 1HB GLU 46 HB2 GLU 46 -7.373 0.583 -1.035 388 2HB GLU 46 HB1 GLU 46 -7.006 1.056 -2.688 389 1HG GLU 46 HG2 GLU 46 -9.744 0.274 -1.721 390 2HG GLU 46 HG1 GLU 46 -9.156 1.933 -1.823 391 H LEU 47 HN LEU 47 -5.534 0.138 -3.608 392 HA LEU 47 HA LEU 47 -3.593 -1.917 -3.401 393 1HB LEU 47 HB2 LEU 47 -3.209 1.028 -3.941 394 2HB LEU 47 HB1 LEU 47 -2.012 -0.223 -4.213 395 HG LEU 47 HG LEU 47 -4.645 0.043 -5.668 396 1HD1 LEU 47 HD11 LEU 47 -3.035 1.760 -6.294 397 2HD1 LEU 47 HD12 LEU 47 -3.251 0.594 -7.599 398 3HD1 LEU 47 HD13 LEU 47 -1.812 0.523 -6.582 399 1HD2 LEU 47 HD21 LEU 47 -2.383 -1.917 -6.044 400 2HD2 LEU 47 HD22 LEU 47 -3.788 -1.755 -7.097 401 3HD2 LEU 47 HD23 LEU 47 -3.993 -2.288 -5.428 402 H ASN 48 HN ASN 48 -1.617 -1.867 -2.215 403 HA ASN 48 HA ASN 48 -1.909 -0.915 0.492 404 1HB ASN 48 HB2 ASN 48 -0.794 -3.098 -0.259 405 2HB ASN 48 HB1 ASN 48 0.570 -2.111 -0.761 406 1HD2 ASN 48 HD21 ASN 48 0.460 -0.258 1.447 407 2HD2 ASN 48 HD22 ASN 48 0.986 -1.129 2.850 408 H ASN 49 HN ASN 49 0.089 -0.183 -2.320 409 HA ASN 49 HA ASN 49 1.186 1.679 -2.993 410 1HB ASN 49 HB2 ASN 49 -0.495 2.969 -0.838 411 2HB ASN 49 HB1 ASN 49 0.586 3.878 -1.885 412 1HD2 ASN 49 HD21 ASN 49 0.077 4.094 -4.074 413 2HD2 ASN 49 HD22 ASN 49 -1.512 3.783 -4.677 414 H GLN 50 HN GLN 50 2.523 3.640 -2.003 415 HA GLN 50 HA GLN 50 4.276 2.523 0.064 416 1HB GLN 50 HB2 GLN 50 4.654 4.911 -1.767 417 2HB GLN 50 HB1 GLN 50 5.839 4.319 -0.613 418 1HG GLN 50 HG2 GLN 50 6.088 2.267 -1.840 419 2HG GLN 50 HG1 GLN 50 4.784 2.721 -2.934 420 1HE2 GLN 50 HE21 GLN 50 7.167 4.987 -1.770 421 2HE2 GLN 50 HE22 GLN 50 7.962 5.229 -3.290 422 H LYS 51 HN LYS 51 5.066 4.132 1.723 423 HA LYS 51 HA LYS 51 4.676 5.603 3.416 424 1HB LYS 51 HB2 LYS 51 2.728 6.945 1.529 425 2HB LYS 51 HB1 LYS 51 3.453 7.655 2.966 426 1HG LYS 51 HG2 LYS 51 5.643 7.575 1.932 427 2HG LYS 51 HG1 LYS 51 4.961 6.787 0.508 428 1HD LYS 51 HD2 LYS 51 3.532 8.781 0.150 429 2HD LYS 51 HD1 LYS 51 4.350 9.567 1.502 430 1HE LYS 51 HE2 LYS 51 5.659 8.587 -1.032 431 2HE LYS 51 HE1 LYS 51 5.295 10.267 -0.641 432 1HZ LYS 51 HZ1 LYS 51 7.131 8.508 0.896 433 2HZ LYS 51 HZ2 LYS 51 6.809 10.144 1.220 434 3HZ LYS 51 HZ3 LYS 51 7.613 9.703 -0.205 435 H ASP 52 HN ASP 52 3.005 3.200 2.903 436 HA ASP 52 HA ASP 52 0.362 3.669 3.814 437 1HB ASP 52 HB2 ASP 52 0.269 1.235 4.162 438 2HB ASP 52 HB1 ASP 52 0.972 1.625 2.598 439 H ASP 53 HN ASP 53 3.368 2.796 5.384 440 HA ASP 53 HA ASP 53 2.251 3.905 7.866 441 1HB ASP 53 HB2 ASP 53 3.961 1.465 7.513 442 2HB ASP 53 HB1 ASP 53 4.118 2.427 8.980 443 HA PRO 54 HA PRO 54 5.620 6.591 6.465 444 1HB PRO 54 HB2 PRO 54 4.227 8.655 7.977 445 2HB PRO 54 HB1 PRO 54 4.529 8.564 6.242 446 1HG PRO 54 HG2 PRO 54 2.055 8.296 7.329 447 2HG PRO 54 HG1 PRO 54 2.541 7.504 5.820 448 1HD PRO 54 HD2 PRO 54 2.341 6.364 8.581 449 2HD PRO 54 HD1 PRO 54 1.880 5.639 7.025 450 H ILE 55 HN ILE 55 7.319 5.907 7.704 451 HA ILE 55 HA ILE 55 8.136 7.516 9.846 452 HB ILE 55 HB ILE 55 6.322 6.190 11.005 453 1HG1 ILE 55 HG12 ILE 55 7.693 5.732 13.029 454 2HG1 ILE 55 HG11 ILE 55 9.147 5.941 12.057 455 1HG2 ILE 55 HG21 ILE 55 6.658 4.040 9.943 456 2HG2 ILE 55 HG22 ILE 55 6.831 3.891 11.691 457 3HG2 ILE 55 HG23 ILE 55 8.263 3.908 10.662 458 1HD1 ILE 55 HD11 ILE 55 7.051 8.048 12.522 459 2HD1 ILE 55 HD12 ILE 55 8.560 8.247 11.629 460 3HD1 ILE 55 HD13 ILE 55 8.595 7.932 13.364 461 H ASN 56 HN ASN 56 9.035 6.273 7.375 462 HA ASN 56 HA ASN 56 11.388 4.801 8.293 463 1HB ASN 56 HB2 ASN 56 11.004 3.016 6.637 464 2HB ASN 56 HB1 ASN 56 9.711 3.085 7.829 465 1HD2 ASN 56 HD21 ASN 56 9.732 1.977 5.136 466 2HD2 ASN 56 HD22 ASN 56 8.455 2.776 4.282 467 H TYR 57 HN TYR 57 11.266 7.422 7.295 468 HA TYR 57 HA TYR 57 12.025 7.243 4.477 469 1HB TYR 57 HB2 TYR 57 11.523 9.687 6.183 470 2HB TYR 57 HB1 TYR 57 11.801 9.678 4.445 471 HD1 TYR 57 HD2 TYR 57 10.076 8.883 2.914 472 HD2 TYR 57 HD1 TYR 57 9.391 9.013 7.109 473 HE1 TYR 57 HE2 TYR 57 7.664 8.634 2.522 474 HE2 TYR 57 HE1 TYR 57 6.976 8.760 6.731 475 HH TYR 57 HH TYR 57 5.350 9.237 4.840 476 H THR 58 HN THR 58 13.838 8.639 3.753 477 HA THR 58 HA THR 58 16.248 7.974 5.038 478 HB THR 58 HB THR 58 15.872 10.150 2.997 479 HG1 THR 58 HG1 THR 58 15.736 8.614 1.470 480 1HG2 THR 58 HG21 THR 58 18.108 10.018 3.988 481 2HG2 THR 58 HG22 THR 58 18.135 9.505 2.300 482 3HG2 THR 58 HG23 THR 58 18.189 8.302 3.589 483 H GLU 59 HN GLU 59 17.540 9.026 6.445 484 HA GLU 59 HA GLU 59 16.689 11.055 8.110 485 1HB GLU 59 HB2 GLU 59 18.645 9.759 8.670 486 2HB GLU 59 HB1 GLU 59 19.490 10.322 7.234 487 1HG GLU 59 HG2 GLU 59 18.947 12.674 8.441 488 2HG GLU 59 HG1 GLU 59 19.116 11.618 9.842 489 H SER 60 HN SER 60 18.859 11.347 5.315 490 HA SER 60 HA SER 60 18.962 14.127 5.201 491 1HB SER 60 HB2 SER 60 20.467 12.611 3.947 492 2HB SER 60 HB1 SER 60 19.125 12.171 2.894 493 HG SER 60 HG SER 60 19.142 14.142 1.990 494 H GLU 61 HN GLU 61 16.518 11.864 3.997 495 HA GLU 61 HA GLU 61 15.258 13.819 2.311 496 1HB GLU 61 HB2 GLU 61 15.029 11.382 1.934 497 2HB GLU 61 HB1 GLU 61 14.116 11.253 3.431 498 1HG GLU 61 HG2 GLU 61 12.332 12.561 2.540 499 2HG GLU 61 HG1 GLU 61 13.273 12.956 1.103 500 H LEU 62 HN LEU 62 14.707 12.587 5.559 501 HA LEU 62 HA LEU 62 12.349 14.023 6.120 502 1HB LEU 62 HB2 LEU 62 14.497 12.964 7.951 503 2HB LEU 62 HB1 LEU 62 12.954 13.592 8.498 504 HG LEU 62 HG LEU 62 13.212 11.231 6.641 505 1HD1 LEU 62 HD11 LEU 62 14.294 10.710 8.751 506 2HD1 LEU 62 HD12 LEU 62 12.756 9.856 8.619 507 3HD1 LEU 62 HD13 LEU 62 12.884 11.290 9.636 508 1HD2 LEU 62 HD21 LEU 62 11.072 12.402 6.564 509 2HD2 LEU 62 HD22 LEU 62 10.932 12.273 8.318 510 3HD2 LEU 62 HD23 LEU 62 10.902 10.818 7.322 511 H LYS 63 HN LYS 63 15.767 14.787 6.601 512 HA LYS 63 HA LYS 63 15.310 17.161 8.080 513 1HB LYS 63 HB2 LYS 63 17.712 16.148 6.562 514 2HB LYS 63 HB1 LYS 63 17.722 17.666 7.454 515 1HG LYS 63 HG2 LYS 63 17.200 16.486 9.511 516 2HG LYS 63 HG1 LYS 63 17.122 14.961 8.634 517 1HD LYS 63 HD2 LYS 63 19.480 15.105 8.106 518 2HD LYS 63 HD1 LYS 63 19.574 16.702 8.857 519 1HE LYS 63 HE2 LYS 63 19.044 15.765 11.017 520 2HE LYS 63 HE1 LYS 63 18.792 14.174 10.305 521 1HZ LYS 63 HZ1 LYS 63 21.398 15.551 10.089 522 2HZ LYS 63 HZ2 LYS 63 21.062 13.896 9.939 523 3HZ LYS 63 HZ3 LYS 63 20.997 14.643 11.458 524 H GLY 64 HN GLY 64 15.052 16.428 4.764 525 1HA GLY 64 HA2 GLY 64 15.078 19.288 4.066 526 2HA GLY 64 HA1 GLY 64 15.225 17.963 2.919 527 H MET 65 HN MET 65 12.898 17.350 5.288 528 HA MET 65 HA MET 65 10.774 17.702 3.331 529 1HB MET 65 HB2 MET 65 10.989 16.278 5.957 530 2HB MET 65 HB1 MET 65 9.407 16.658 5.297 531 1HG MET 65 HG2 MET 65 9.955 15.399 3.275 532 2HG MET 65 HG1 MET 65 11.533 15.004 3.959 533 1HE MET 65 HE1 MET 65 10.934 12.425 3.456 534 2HE MET 65 HE2 MET 65 9.330 12.874 2.878 535 3HE MET 65 HE3 MET 65 9.506 11.619 4.103 536 H ASN 66 HN ASN 66 8.734 18.631 3.930 537 HA ASN 66 HA ASN 66 8.919 21.145 5.265 538 1HB ASN 66 HB2 ASN 66 7.368 20.651 3.366 539 2HB ASN 66 HB1 ASN 66 6.461 19.575 4.416 540 1HD2 ASN 66 HD21 ASN 66 5.662 21.977 2.946 541 2HD2 ASN 66 HD22 ASN 66 4.984 23.047 4.129 542 H LYS 67 HN LYS 67 8.091 21.741 7.265 543 HA LYS 67 HA LYS 67 8.230 19.992 9.413 544 1HB LYS 67 HB2 LYS 67 8.354 22.440 9.596 545 2HB LYS 67 HB1 LYS 67 6.660 22.569 9.160 546 1HG LYS 67 HG2 LYS 67 7.194 20.872 11.490 547 2HG LYS 67 HG1 LYS 67 7.622 22.572 11.691 548 1HD LYS 67 HD2 LYS 67 5.319 23.142 10.853 549 2HD LYS 67 HD1 LYS 67 4.936 21.422 10.951 550 1HE LYS 67 HE2 LYS 67 5.441 21.436 13.337 551 2HE LYS 67 HE1 LYS 67 5.863 23.145 13.247 552 1HZ LYS 67 HZ1 LYS 67 3.654 22.953 14.080 553 2HZ LYS 67 HZ2 LYS 67 3.187 21.932 12.811 554 3HZ LYS 67 HZ3 LYS 67 3.546 23.563 12.500 555 H ALA 68 HN ALA 68 5.462 20.936 7.444 556 HA ALA 68 HA ALA 68 3.462 19.707 9.028 557 1HB ALA 68 HB1 ALA 68 3.411 20.355 6.084 558 2HB ALA 68 HB2 ALA 68 2.973 21.457 7.391 559 3HB ALA 68 HB3 ALA 68 2.011 20.007 7.098 560 H GLU 69 HN GLU 69 5.620 18.470 6.575 561 HA GLU 69 HA GLU 69 4.236 16.080 5.978 562 1HB GLU 69 HB2 GLU 69 7.200 16.675 5.921 563 2HB GLU 69 HB1 GLU 69 6.460 15.229 5.247 564 1HG GLU 69 HG2 GLU 69 5.889 18.046 4.367 565 2HG GLU 69 HG1 GLU 69 6.967 16.916 3.549 566 H HIS 70 HN HIS 70 6.872 16.767 8.252 567 HA HIS 70 HA HIS 70 7.035 14.296 9.486 568 1HB HIS 70 HB2 HIS 70 7.506 17.071 10.570 569 2HB HIS 70 HB1 HIS 70 7.840 15.615 11.504 570 HD1 HIS 70 HD1 HIS 70 10.008 14.436 11.061 571 HD2 HIS 70 HD2 HIS 70 9.165 17.352 8.224 572 HE1 HIS 70 HE1 HIS 70 12.086 14.641 9.667 573 HE2 HIS 70 HE2 HIS 70 11.591 16.473 8.014 574 H GLU 71 HN GLU 71 4.894 17.030 10.206 575 HA GLU 71 HA GLU 71 3.654 15.973 12.482 576 1HB GLU 71 HB2 GLU 71 2.398 17.708 10.342 577 2HB GLU 71 HB1 GLU 71 1.783 17.471 11.970 578 1HG GLU 71 HG2 GLU 71 3.858 18.495 12.849 579 2HG GLU 71 HG1 GLU 71 4.345 18.832 11.187 580 H SER 72 HN SER 72 2.654 15.790 9.078 581 HA SER 72 HA SER 72 0.412 14.181 9.378 582 1HB SER 72 HB2 SER 72 2.391 14.104 7.085 583 2HB SER 72 HB1 SER 72 0.697 13.613 7.028 584 HG SER 72 HG SER 72 1.732 16.235 7.427 585 H ILE 73 HN ILE 73 3.800 13.288 9.019 586 HA ILE 73 HA ILE 73 3.568 10.517 8.900 587 HB ILE 73 HB ILE 73 5.747 12.274 10.029 588 1HG1 ILE 73 HG12 ILE 73 5.586 10.711 7.445 589 2HG1 ILE 73 HG11 ILE 73 5.256 12.434 7.599 590 1HG2 ILE 73 HG21 ILE 73 5.934 10.108 11.098 591 2HG2 ILE 73 HG22 ILE 73 7.231 10.322 9.924 592 3HG2 ILE 73 HG23 ILE 73 5.846 9.303 9.532 593 1HD1 ILE 73 HD11 ILE 73 7.561 12.801 8.324 594 2HD1 ILE 73 HD12 ILE 73 7.482 12.047 6.732 595 3HD1 ILE 73 HD13 ILE 73 7.884 11.076 8.148 596 H ILE 74 HN ILE 74 4.272 12.490 11.808 597 HA ILE 74 HA ILE 74 4.029 10.174 13.475 598 HB ILE 74 HB ILE 74 4.210 11.911 15.359 599 1HG1 ILE 74 HG12 ILE 74 4.879 13.611 12.956 600 2HG1 ILE 74 HG11 ILE 74 3.616 13.905 14.147 601 1HG2 ILE 74 HG21 ILE 74 6.385 11.380 13.347 602 2HG2 ILE 74 HG22 ILE 74 6.010 10.467 14.812 603 3HG2 ILE 74 HG23 ILE 74 6.667 12.100 14.934 604 1HD1 ILE 74 HD11 ILE 74 5.316 14.259 15.859 605 2HD1 ILE 74 HD12 ILE 74 5.517 15.365 14.500 606 3HD1 ILE 74 HD13 ILE 74 6.579 13.966 14.663 607 H SER 75 HN SER 75 1.745 12.442 12.311 608 HA SER 75 HA SER 75 -0.133 12.121 14.445 609 1HB SER 75 HB2 SER 75 -0.573 12.901 11.549 610 2HB SER 75 HB1 SER 75 -1.805 12.974 12.809 611 HG SER 75 HG SER 75 0.580 14.483 12.573 612 H ASN 76 HN ASN 76 0.371 10.538 11.308 613 HA ASN 76 HA ASN 76 -1.801 8.710 11.672 614 1HB ASN 76 HB2 ASN 76 0.500 8.765 9.712 615 2HB ASN 76 HB1 ASN 76 -0.747 7.520 9.700 616 1HD2 ASN 76 HD21 ASN 76 -0.068 9.514 7.676 617 2HD2 ASN 76 HD22 ASN 76 -1.514 10.422 7.392 618 H LEU 77 HN LEU 77 1.619 8.691 12.384 619 HA LEU 77 HA LEU 77 1.864 5.930 12.957 620 1HB LEU 77 HB2 LEU 77 3.807 7.375 12.612 621 2HB LEU 77 HB1 LEU 77 3.406 8.282 14.058 622 HG LEU 77 HG LEU 77 3.703 6.114 15.346 623 1HD1 LEU 77 HD11 LEU 77 5.008 5.271 12.766 624 2HD1 LEU 77 HD12 LEU 77 3.548 4.578 13.473 625 3HD1 LEU 77 HD13 LEU 77 5.096 4.405 14.300 626 1HD2 LEU 77 HD21 LEU 77 6.136 6.338 15.414 627 2HD2 LEU 77 HD22 LEU 77 5.337 7.910 15.409 628 3HD2 LEU 77 HD23 LEU 77 6.086 7.297 13.935 629 H GLY 78 HN GLY 78 0.751 8.677 14.821 630 1HA GLY 78 HA2 GLY 78 -0.728 8.412 16.679 631 2HA GLY 78 HA1 GLY 78 -0.002 6.842 16.988 632 H ARG 79 HN ARG 79 1.769 9.801 16.341 633 HA ARG 79 HA ARG 79 2.724 9.768 19.127 634 1HB ARG 79 HB2 ARG 79 4.500 9.227 17.514 635 2HB ARG 79 HB1 ARG 79 4.192 10.739 16.669 636 1HG ARG 79 HG2 ARG 79 6.145 10.906 18.120 637 2HG ARG 79 HG1 ARG 79 4.861 12.000 18.645 638 1HD ARG 79 HD2 ARG 79 4.161 10.260 20.292 639 2HD ARG 79 HD1 ARG 79 5.587 9.330 19.838 640 HE ARG 79 HE ARG 79 6.593 11.755 20.535 641 1HH1 ARG 79 HH11 ARG 79 4.478 9.442 22.103 642 2HH1 ARG 79 HH12 ARG 79 4.992 9.869 23.709 643 1HH2 ARG 79 HH21 ARG 79 7.283 12.316 22.651 644 2HH2 ARG 79 HH22 ARG 79 6.601 11.484 24.019 645 H ASN 80 HN ASN 80 2.105 11.868 16.354 646 HA ASN 80 HA ASN 80 1.367 13.990 16.126 647 1HB ASN 80 HB2 ASN 80 -0.401 13.255 17.758 648 2HB ASN 80 HB1 ASN 80 0.597 13.918 19.048 649 1HD2 ASN 80 HD21 ASN 80 0.808 16.149 19.243 650 2HD2 ASN 80 HD22 ASN 80 -0.216 17.257 18.394 651 HA PRO 81 HA PRO 81 4.947 16.183 17.485 652 1HB PRO 81 HB2 PRO 81 4.487 18.473 16.041 653 2HB PRO 81 HB1 PRO 81 5.195 16.997 15.387 654 1HG PRO 81 HG2 PRO 81 2.562 18.143 14.916 655 2HG PRO 81 HG1 PRO 81 3.406 16.871 14.027 656 1HD PRO 81 HD2 PRO 81 1.282 16.606 15.944 657 2HD PRO 81 HD1 PRO 81 2.085 15.336 15.005 658 H SER 82 HN SER 82 3.417 16.202 19.566 659 HA SER 82 HA SER 82 2.410 18.841 20.188 660 1HB SER 82 HB2 SER 82 2.026 17.616 22.473 661 2HB SER 82 HB1 SER 82 1.026 17.206 21.079 662 HG SER 82 HG SER 82 2.822 15.674 22.457 663 H ASP 83 HN ASP 83 5.348 17.101 20.596 664 HA ASP 83 HA ASP 83 6.477 19.453 21.860 665 1HB ASP 83 HB2 ASP 83 5.864 17.970 23.771 666 2HB ASP 83 HB1 ASP 83 6.929 16.733 23.108 667 H PHE 84 HN PHE 84 7.333 19.612 19.754 668 HA PHE 84 HA PHE 84 9.916 18.266 19.584 669 1HB PHE 84 HB2 PHE 84 7.919 18.419 17.315 670 2HB PHE 84 HB1 PHE 84 9.635 18.126 17.060 671 HD1 PHE 84 HD2 PHE 84 10.655 16.028 17.738 672 HD2 PHE 84 HD1 PHE 84 6.489 16.721 18.235 673 HE1 PHE 84 HE2 PHE 84 10.299 13.617 18.079 674 HE2 PHE 84 HE1 PHE 84 6.123 14.312 18.576 675 HZ PHE 84 HZ PHE 84 8.030 12.757 18.499 676 H LYS 85 HN LYS 85 11.254 19.914 19.823 677 HA LYS 85 HA LYS 85 10.495 22.531 18.723 678 1HB LYS 85 HB2 LYS 85 12.544 21.800 20.824 679 2HB LYS 85 HB1 LYS 85 12.169 23.437 20.299 680 1HG LYS 85 HG2 LYS 85 9.936 23.266 21.163 681 2HG LYS 85 HG1 LYS 85 10.171 21.560 21.543 682 1HD LYS 85 HD2 LYS 85 11.887 22.155 23.175 683 2HD LYS 85 HD1 LYS 85 11.679 23.863 22.778 684 1HE LYS 85 HE2 LYS 85 10.485 23.234 24.835 685 2HE LYS 85 HE1 LYS 85 9.392 23.803 23.576 686 1HZ LYS 85 HZ1 LYS 85 8.567 21.818 24.730 687 2HZ LYS 85 HZ2 LYS 85 9.912 20.941 24.199 688 3HZ LYS 85 HZ3 LYS 85 8.790 21.539 23.077 689 H ASN 86 HN ASN 86 12.883 20.019 18.513 690 HA ASN 86 HA ASN 86 14.502 21.686 16.708 691 1HB ASN 86 HB2 ASN 86 15.220 19.109 18.126 692 2HB ASN 86 HB1 ASN 86 16.274 19.972 17.014 693 1HD2 ASN 86 HD21 ASN 86 16.736 19.291 19.765 694 2HD2 ASN 86 HD22 ASN 86 16.988 20.782 20.614 695 H ALA 87 HN ALA 87 15.162 20.867 14.698 696 HA ALA 87 HA ALA 87 13.339 19.113 13.369 697 1HB ALA 87 HB1 ALA 87 14.508 20.892 12.158 698 2HB ALA 87 HB2 ALA 87 14.874 19.314 11.459 699 3HB ALA 87 HB3 ALA 87 16.055 20.115 12.494 700 H ASP 88 HN ASP 88 16.539 18.856 14.752 701 HA ASP 88 HA ASP 88 17.276 16.296 13.984 702 1HB ASP 88 HB2 ASP 88 18.827 17.749 15.122 703 2HB ASP 88 HB1 ASP 88 17.805 17.801 16.553 704 H GLU 89 HN GLU 89 15.252 17.340 16.679 705 HA GLU 89 HA GLU 89 14.810 14.871 17.915 706 1HB GLU 89 HB2 GLU 89 13.051 17.315 17.685 707 2HB GLU 89 HB1 GLU 89 12.681 15.946 18.725 708 1HG GLU 89 HG2 GLU 89 15.206 17.561 18.930 709 2HG GLU 89 HG1 GLU 89 13.745 17.895 19.858 710 H ARG 90 HN ARG 90 13.047 16.497 15.318 711 HA ARG 90 HA ARG 90 10.947 14.638 15.100 712 1HB ARG 90 HB2 ARG 90 12.113 16.523 13.041 713 2HB ARG 90 HB1 ARG 90 10.607 15.638 12.837 714 1HG ARG 90 HG2 ARG 90 9.603 16.816 14.679 715 2HG ARG 90 HG1 ARG 90 11.134 17.610 15.053 716 1HD ARG 90 HD2 ARG 90 11.082 18.779 12.930 717 2HD ARG 90 HD1 ARG 90 9.609 17.926 12.470 718 HE ARG 90 HE ARG 90 8.733 19.106 14.636 719 1HH1 ARG 90 HH11 ARG 90 10.861 20.447 12.198 720 2HH1 ARG 90 HH12 ARG 90 10.317 22.079 12.438 721 1HH2 ARG 90 HH21 ARG 90 7.997 21.239 14.941 722 2HH2 ARG 90 HH22 ARG 90 8.675 22.531 13.984 723 H ILE 91 HN ILE 91 14.013 14.925 13.333 724 HA ILE 91 HA ILE 91 13.589 12.649 11.697 725 HB ILE 91 HB ILE 91 16.020 14.260 12.412 726 1HG1 ILE 91 HG12 ILE 91 16.061 14.533 9.902 727 2HG1 ILE 91 HG11 ILE 91 14.530 13.672 9.853 728 1HG2 ILE 91 HG21 ILE 91 17.382 12.882 10.907 729 2HG2 ILE 91 HG22 ILE 91 16.054 11.728 10.782 730 3HG2 ILE 91 HG23 ILE 91 16.853 11.989 12.333 731 1HD1 ILE 91 HD11 ILE 91 14.202 16.061 9.711 732 2HD1 ILE 91 HD12 ILE 91 15.048 16.285 11.243 733 3HD1 ILE 91 HD13 ILE 91 13.508 15.425 11.202 734 H ALA 92 HN ALA 92 15.135 13.121 14.836 735 HA ALA 92 HA ALA 92 16.313 10.599 15.112 736 1HB ALA 92 HB1 ALA 92 15.226 12.373 17.296 737 2HB ALA 92 HB2 ALA 92 16.828 12.499 16.570 738 3HB ALA 92 HB3 ALA 92 16.391 11.065 17.497 739 H TYR 93 HN TYR 93 13.046 11.715 15.923 740 HA TYR 93 HA TYR 93 12.317 9.278 17.196 741 1HB TYR 93 HB2 TYR 93 11.148 11.455 17.599 742 2HB TYR 93 HB1 TYR 93 10.436 11.317 15.993 743 HD1 TYR 93 HD2 TYR 93 10.558 9.799 19.353 744 HD2 TYR 93 HD1 TYR 93 8.586 9.849 15.582 745 HE1 TYR 93 HE2 TYR 93 8.768 8.390 20.277 746 HE2 TYR 93 HE1 TYR 93 6.795 8.438 16.496 747 HH TYR 93 HH TYR 93 6.636 6.703 18.454 748 H ILE 94 HN ILE 94 12.014 10.500 13.891 749 HA ILE 94 HA ILE 94 10.421 8.307 12.996 750 HB ILE 94 HB ILE 94 12.146 10.195 11.376 751 1HG1 ILE 94 HG12 ILE 94 9.179 10.257 12.009 752 2HG1 ILE 94 HG11 ILE 94 10.392 11.335 12.687 753 1HG2 ILE 94 HG21 ILE 94 10.742 9.509 9.477 754 2HG2 ILE 94 HG22 ILE 94 9.941 8.325 10.510 755 3HG2 ILE 94 HG23 ILE 94 11.657 8.158 10.142 756 1HD1 ILE 94 HD11 ILE 94 9.114 12.422 10.920 757 2HD1 ILE 94 HD12 ILE 94 9.612 11.169 9.783 758 3HD1 ILE 94 HD13 ILE 94 10.812 12.262 10.469 759 H LEU 95 HN LEU 95 13.899 8.944 13.069 760 HA LEU 95 HA LEU 95 14.622 6.527 11.735 761 1HB LEU 95 HB2 LEU 95 16.038 8.670 13.199 762 2HB LEU 95 HB1 LEU 95 16.834 7.110 13.173 763 HG LEU 95 HG LEU 95 17.636 8.577 11.380 764 1HD1 LEU 95 HD11 LEU 95 16.050 6.218 10.381 765 2HD1 LEU 95 HD12 LEU 95 17.680 6.168 11.050 766 3HD1 LEU 95 HD13 LEU 95 17.376 7.007 9.529 767 1HD2 LEU 95 HD21 LEU 95 14.798 8.458 10.368 768 2HD2 LEU 95 HD22 LEU 95 16.174 9.140 9.498 769 3HD2 LEU 95 HD23 LEU 95 15.622 9.882 11.000 770 H LYS 96 HN LYS 96 13.586 7.244 14.907 771 HA LYS 96 HA LYS 96 14.864 5.244 16.392 772 1HB LYS 96 HB2 LYS 96 13.584 7.088 17.397 773 2HB LYS 96 HB1 LYS 96 12.095 6.396 16.772 774 1HG LYS 96 HG2 LYS 96 12.427 4.419 18.174 775 2HG LYS 96 HG1 LYS 96 13.917 5.124 18.807 776 1HD LYS 96 HD2 LYS 96 12.645 7.019 19.688 777 2HD LYS 96 HD1 LYS 96 11.156 6.316 19.056 778 1HE LYS 96 HE2 LYS 96 11.361 5.855 21.426 779 2HE LYS 96 HE1 LYS 96 11.480 4.360 20.501 780 1HZ LYS 96 HZ1 LYS 96 13.120 4.550 22.315 781 2HZ LYS 96 HZ2 LYS 96 13.821 5.878 21.526 782 3HZ LYS 96 HZ3 LYS 96 13.836 4.346 20.794 783 H GLN 97 HN GLN 97 11.835 5.173 14.544 784 HA GLN 97 HA GLN 97 11.196 2.487 15.237 785 1HB GLN 97 HB2 GLN 97 10.199 4.405 13.162 786 2HB GLN 97 HB1 GLN 97 9.736 2.713 13.075 787 1HG GLN 97 HG2 GLN 97 8.046 4.052 14.202 788 2HG GLN 97 HG1 GLN 97 8.738 2.842 15.279 789 1HE2 GLN 97 HE21 GLN 97 8.552 6.225 14.519 790 2HE2 GLN 97 HE22 GLN 97 9.194 6.805 16.012 791 H ILE 98 HN ILE 98 12.923 3.990 12.566 792 HA ILE 98 HA ILE 98 13.260 1.667 10.993 793 HB ILE 98 HB ILE 98 15.046 4.100 11.195 794 1HG1 ILE 98 HG12 ILE 98 12.807 3.415 9.277 795 2HG1 ILE 98 HG11 ILE 98 12.734 4.624 10.554 796 1HG2 ILE 98 HG21 ILE 98 14.902 1.975 9.057 797 2HG2 ILE 98 HG22 ILE 98 16.226 2.214 10.198 798 3HG2 ILE 98 HG23 ILE 98 15.875 3.443 8.983 799 1HD1 ILE 98 HD11 ILE 98 14.430 5.939 9.429 800 2HD1 ILE 98 HD12 ILE 98 13.070 5.620 8.354 801 3HD1 ILE 98 HD13 ILE 98 14.570 4.710 8.172 802 H ASP 99 HN ASP 99 15.217 3.099 13.565 803 HA ASP 99 HA ASP 99 17.284 1.152 13.505 804 1HB ASP 99 HB2 ASP 99 17.734 3.258 14.532 805 2HB ASP 99 HB1 ASP 99 16.349 3.110 15.603 806 H ASN 100 HN ASN 100 14.243 1.421 15.223 807 HA ASN 100 HA ASN 100 14.599 -0.744 16.993 808 1HB ASN 100 HB2 ASN 100 12.908 0.891 17.462 809 2HB ASN 100 HB1 ASN 100 12.106 0.588 15.925 810 1HD2 ASN 100 HD21 ASN 100 10.776 -1.182 15.712 811 2HD2 ASN 100 HD22 ASN 100 10.265 -2.148 17.055 812 H LYS 101 HN LYS 101 12.842 -0.579 13.876 813 HA LYS 101 HA LYS 101 12.547 -3.503 14.011 814 1HB LYS 101 HB2 LYS 101 10.534 -1.977 13.748 815 2HB LYS 101 HB1 LYS 101 11.130 -1.603 12.137 816 1HG LYS 101 HG2 LYS 101 10.916 -3.925 11.486 817 2HG LYS 101 HG1 LYS 101 10.407 -4.357 13.120 818 1HD LYS 101 HD2 LYS 101 8.423 -2.957 12.883 819 2HD LYS 101 HD1 LYS 101 8.938 -2.485 11.261 820 1HE LYS 101 HE2 LYS 101 8.378 -5.322 12.109 821 2HE LYS 101 HE1 LYS 101 7.204 -4.279 11.310 822 1HZ LYS 101 HZ1 LYS 101 8.602 -4.152 9.390 823 2HZ LYS 101 HZ2 LYS 101 8.386 -5.786 9.779 824 3HZ LYS 101 HZ3 LYS 101 9.847 -5.012 10.158 825 H GLY 102 HN GLY 102 14.989 -1.996 13.149 826 1HA GLY 102 HA2 GLY 102 15.115 -2.770 10.318 827 2HA GLY 102 HA1 GLY 102 16.217 -1.666 11.124 828 H GLU 103 HN GLU 103 16.091 -3.893 13.370 829 HA GLU 103 HA GLU 103 18.543 -5.084 12.428 830 1HB GLU 103 HB2 GLU 103 18.642 -6.089 14.722 831 2HB GLU 103 HB1 GLU 103 18.602 -4.334 14.676 832 1HG GLU 103 HG2 GLU 103 16.261 -4.339 15.280 833 2HG GLU 103 HG1 GLU 103 16.231 -6.102 15.234 834 H LEU 104 HN LEU 104 17.931 -6.452 10.807 835 HA LEU 104 HA LEU 104 16.774 -8.983 11.766 836 1HB LEU 104 HB2 LEU 104 16.401 -7.712 9.047 837 2HB LEU 104 HB1 LEU 104 16.027 -9.388 9.388 838 HG LEU 104 HG LEU 104 14.437 -8.448 11.199 839 1HD1 LEU 104 HD11 LEU 104 15.226 -6.149 11.162 840 2HD1 LEU 104 HD12 LEU 104 13.526 -6.237 10.699 841 3HD1 LEU 104 HD13 LEU 104 14.765 -6.006 9.465 842 1HD2 LEU 104 HD21 LEU 104 12.645 -8.222 9.556 843 2HD2 LEU 104 HD22 LEU 104 13.701 -9.581 9.175 844 3HD2 LEU 104 HD23 LEU 104 13.841 -8.077 8.268 845 H GLU 105 HN GLU 105 18.042 -8.420 8.561 846 HA GLU 105 HA GLU 105 20.304 -10.159 9.103 847 1HB GLU 105 HB2 GLU 105 19.047 -10.429 6.996 848 2HB GLU 105 HB1 GLU 105 19.469 -8.785 6.539 849 1HG GLU 105 HG2 GLU 105 20.851 -10.482 5.420 850 2HG GLU 105 HG1 GLU 105 21.797 -9.362 6.398 851 H HIS 106 HN HIS 106 19.653 -6.820 8.108 852 HA HIS 106 HA HIS 106 22.350 -5.937 8.425 853 1HB HIS 106 HB2 HIS 106 19.762 -4.362 8.572 854 2HB HIS 106 HB1 HIS 106 21.371 -3.656 8.495 855 HD1 HIS 106 HD1 HIS 106 18.617 -4.767 6.411 856 HD2 HIS 106 HD2 HIS 106 22.722 -4.250 5.952 857 HE1 HIS 106 HE1 HIS 106 19.025 -4.716 3.927 858 HE2 HIS 106 HE2 HIS 106 21.503 -4.339 3.667 859 H HIS 107 HN HIS 107 23.294 -4.960 10.232 860 HA HIS 107 HA HIS 107 23.806 -4.860 12.445 861 1HB HIS 107 HB2 HIS 107 21.806 -3.278 12.335 862 2HB HIS 107 HB1 HIS 107 20.827 -4.613 12.928 863 HD1 HIS 107 HD1 HIS 107 23.848 -2.576 14.005 864 HD2 HIS 107 HD2 HIS 107 20.723 -4.784 15.634 865 HE1 HIS 107 HE1 HIS 107 23.987 -2.221 16.493 866 HE2 HIS 107 HE2 HIS 107 21.982 -3.425 17.439 867 H HIS 108 HN HIS 108 23.816 -7.310 11.425 868 HA HIS 108 HA HIS 108 22.111 -9.260 12.455 869 1HB HIS 108 HB2 HIS 108 23.986 -9.399 10.630 870 2HB HIS 108 HB1 HIS 108 25.026 -9.828 11.981 871 HD1 HIS 108 HD1 HIS 108 23.008 -11.343 9.459 872 HD2 HIS 108 HD2 HIS 108 23.815 -12.190 13.458 873 HE1 HIS 108 HE1 HIS 108 22.399 -13.758 9.782 874 HE2 HIS 108 HE2 HIS 108 22.707 -14.193 12.245 875 H HIS 109 HN HIS 109 22.116 -10.502 14.289 876 HA HIS 109 HA HIS 109 23.145 -9.133 16.591 877 1HB HIS 109 HB2 HIS 109 21.573 -11.705 16.378 878 2HB HIS 109 HB1 HIS 109 21.906 -10.842 17.876 879 HD1 HIS 109 HD1 HIS 109 19.326 -11.234 15.475 880 HD2 HIS 109 HD2 HIS 109 20.848 -8.000 17.604 881 HE1 HIS 109 HE1 HIS 109 17.536 -9.470 15.403 882 HE2 HIS 109 HE2 HIS 109 18.406 -7.592 16.843 883 H HIS 110 HN HIS 110 24.723 -11.157 14.622 884 HA HIS 110 HA HIS 110 26.819 -11.651 16.452 885 1HB HIS 110 HB2 HIS 110 25.160 -13.444 17.126 886 2HB HIS 110 HB1 HIS 110 25.367 -14.138 15.523 887 HD1 HIS 110 HD1 HIS 110 27.488 -15.496 15.088 888 HD2 HIS 110 HD2 HIS 110 27.384 -13.712 18.846 889 HE1 HIS 110 HE1 HIS 110 29.386 -16.525 16.384 890 HE2 HIS 110 HE2 HIS 110 29.162 -15.584 18.717 891 H HIS 111 HN HIS 111 28.659 -11.726 15.272 892 HA HIS 111 HA HIS 111 28.351 -12.410 12.425 893 1HB HIS 111 HB2 HIS 111 29.969 -10.787 11.807 894 2HB HIS 111 HB1 HIS 111 28.879 -9.982 12.922 895 HD1 HIS 111 HD1 HIS 111 29.857 -9.429 15.327 896 HD2 HIS 111 HD2 HIS 111 32.608 -10.872 12.563 897 HE1 HIS 111 HE1 HIS 111 32.118 -8.928 16.294 898 HE2 HIS 111 HE2 HIS 111 33.748 -9.581 14.488 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -4.780 -0.456 4.122 2 2H MET 1 HT2 MET 1 -5.313 -1.938 3.483 3 3H MET 1 HT3 MET 1 -6.284 -1.087 4.586 4 HA MET 1 HA MET 1 -6.573 0.705 3.031 5 1HB MET 1 HB2 MET 1 -4.904 -1.053 1.228 6 2HB MET 1 HB1 MET 1 -5.869 0.296 0.651 7 1HG MET 1 HG2 MET 1 -4.557 1.804 2.104 8 2HG MET 1 HG1 MET 1 -3.542 0.434 2.552 9 1HE MET 1 HE1 MET 1 -4.753 2.735 -0.399 10 2HE MET 1 HE2 MET 1 -5.124 1.115 -0.993 11 3HE MET 1 HE3 MET 1 -3.852 2.065 -1.760 12 H PHE 2 HN PHE 2 -8.381 -0.713 3.988 13 HA PHE 2 HA PHE 2 -9.648 -2.240 1.806 14 1HB PHE 2 HB2 PHE 2 -10.316 -2.322 4.758 15 2HB PHE 2 HB1 PHE 2 -10.975 -3.363 3.502 16 HD1 PHE 2 HD1 PHE 2 -9.232 -4.799 2.199 17 HD2 PHE 2 HD2 PHE 2 -8.528 -3.043 6.009 18 HE1 PHE 2 HE1 PHE 2 -7.435 -6.426 2.612 19 HE2 PHE 2 HE2 PHE 2 -6.728 -4.665 6.429 20 HZ PHE 2 HZ PHE 2 -6.180 -6.358 4.729 21 H THR 3 HN THR 3 -11.487 -1.437 0.937 22 HA THR 3 HA THR 3 -12.672 0.884 2.307 23 HB THR 3 HB THR 3 -13.531 1.507 -0.023 24 HG1 THR 3 HG1 THR 3 -12.392 -0.760 -0.674 25 1HG2 THR 3 HG21 THR 3 -11.435 2.641 -0.611 26 2HG2 THR 3 HG22 THR 3 -10.566 1.615 0.530 27 3HG2 THR 3 HG23 THR 3 -11.776 2.755 1.117 28 H ALA 4 HN ALA 4 -14.654 0.664 3.019 29 HA ALA 4 HA ALA 4 -16.250 -1.605 2.033 30 1HB ALA 4 HB1 ALA 4 -15.707 -1.701 4.415 31 2HB ALA 4 HB2 ALA 4 -17.441 -1.494 4.167 32 3HB ALA 4 HB3 ALA 4 -16.448 -0.120 4.654 33 H LYS 5 HN LYS 5 -18.211 -1.274 1.172 34 HA LYS 5 HA LYS 5 -19.240 1.486 1.156 35 1HB LYS 5 HB2 LYS 5 -18.143 0.922 -0.986 36 2HB LYS 5 HB1 LYS 5 -19.214 -0.458 -1.160 37 1HG LYS 5 HG2 LYS 5 -21.092 0.906 -1.513 38 2HG LYS 5 HG1 LYS 5 -20.251 2.348 -0.940 39 1HD LYS 5 HD2 LYS 5 -20.417 2.399 -3.356 40 2HD LYS 5 HD1 LYS 5 -18.732 2.205 -2.874 41 1HE LYS 5 HE2 LYS 5 -19.047 0.705 -4.655 42 2HE LYS 5 HE1 LYS 5 -19.083 -0.287 -3.200 43 1HZ LYS 5 HZ1 LYS 5 -20.844 -0.957 -4.658 44 2HZ LYS 5 HZ2 LYS 5 -21.420 0.633 -4.784 45 3HZ LYS 5 HZ3 LYS 5 -21.538 -0.191 -3.309 46 H LEU 6 HN LEU 6 -21.208 1.628 1.948 47 HA LEU 6 HA LEU 6 -22.752 -0.597 2.733 48 1HB LEU 6 HB2 LEU 6 -22.795 1.696 3.754 49 2HB LEU 6 HB1 LEU 6 -23.658 2.265 2.343 50 HG LEU 6 HG LEU 6 -25.028 1.812 4.433 51 1HD1 LEU 6 HD11 LEU 6 -26.907 0.880 3.194 52 2HD1 LEU 6 HD12 LEU 6 -25.814 0.392 1.898 53 3HD1 LEU 6 HD13 LEU 6 -26.055 2.103 2.251 54 1HD2 LEU 6 HD21 LEU 6 -25.708 -0.499 4.828 55 2HD2 LEU 6 HD22 LEU 6 -23.976 -0.285 5.085 56 3HD2 LEU 6 HD23 LEU 6 -24.561 -1.048 3.607 57 H ILE 7 HN ILE 7 -23.897 -1.914 1.475 58 HA ILE 7 HA ILE 7 -24.727 -0.921 -1.167 59 HB ILE 7 HB ILE 7 -24.852 -3.278 -1.865 60 1HG1 ILE 7 HG12 ILE 7 -23.684 -3.876 0.860 61 2HG1 ILE 7 HG11 ILE 7 -25.317 -4.281 0.339 62 1HG2 ILE 7 HG21 ILE 7 -22.827 -2.013 -2.259 63 2HG2 ILE 7 HG22 ILE 7 -22.448 -3.702 -1.918 64 3HG2 ILE 7 HG23 ILE 7 -22.211 -2.476 -0.672 65 1HD1 ILE 7 HD11 ILE 7 -22.764 -5.361 -0.837 66 2HD1 ILE 7 HD12 ILE 7 -24.396 -5.766 -1.367 67 3HD1 ILE 7 HD13 ILE 7 -23.858 -6.216 0.251 68 H LYS 8 HN LYS 8 -25.905 -2.256 1.801 69 HA LYS 8 HA LYS 8 -28.616 -2.372 0.659 70 1HB LYS 8 HB2 LYS 8 -27.431 -3.967 2.934 71 2HB LYS 8 HB1 LYS 8 -29.115 -4.033 2.450 72 1HG LYS 8 HG2 LYS 8 -28.464 -4.901 0.269 73 2HG LYS 8 HG1 LYS 8 -26.764 -4.793 0.724 74 1HD LYS 8 HD2 LYS 8 -27.433 -7.061 1.006 75 2HD LYS 8 HD1 LYS 8 -27.263 -6.358 2.616 76 1HE LYS 8 HE2 LYS 8 -29.267 -7.712 2.510 77 2HE LYS 8 HE1 LYS 8 -29.699 -6.012 2.693 78 1HZ LYS 8 HZ1 LYS 8 -31.032 -7.266 1.023 79 2HZ LYS 8 HZ2 LYS 8 -29.638 -7.407 0.074 80 3HZ LYS 8 HZ3 LYS 8 -30.282 -5.876 0.413 81 H GLY 9 HN GLY 9 -29.418 -0.393 1.158 82 1HA GLY 9 HA2 GLY 9 -30.687 0.366 3.291 83 2HA GLY 9 HA1 GLY 9 -29.054 0.601 3.895 84 H LYS 10 HN LYS 10 -28.331 2.608 3.755 85 HA LYS 10 HA LYS 10 -28.543 4.319 1.567 86 1HB LYS 10 HB2 LYS 10 -30.168 5.993 2.551 87 2HB LYS 10 HB1 LYS 10 -30.895 4.517 1.936 88 1HG LYS 10 HG2 LYS 10 -31.088 3.647 4.202 89 2HG LYS 10 HG1 LYS 10 -30.320 5.104 4.834 90 1HD LYS 10 HD2 LYS 10 -32.170 6.454 4.005 91 2HD LYS 10 HD1 LYS 10 -32.925 5.016 3.311 92 1HE LYS 10 HE2 LYS 10 -33.972 5.579 5.428 93 2HE LYS 10 HE1 LYS 10 -33.110 4.047 5.558 94 1HZ LYS 10 HZ1 LYS 10 -32.526 5.178 7.478 95 2HZ LYS 10 HZ2 LYS 10 -32.393 6.676 6.697 96 3HZ LYS 10 HZ3 LYS 10 -31.210 5.491 6.460 97 H THR 11 HN THR 11 -28.794 4.460 5.103 98 HA THR 11 HA THR 11 -26.257 5.899 5.234 99 HB THR 11 HB THR 11 -27.416 7.354 7.053 100 HG1 THR 11 HG1 THR 11 -29.470 6.808 7.244 101 1HG2 THR 11 HG21 THR 11 -28.063 9.036 5.386 102 2HG2 THR 11 HG22 THR 11 -28.014 7.803 4.126 103 3HG2 THR 11 HG23 THR 11 -26.533 8.267 4.965 104 H TYR 12 HN TYR 12 -25.006 4.832 6.647 105 HA TYR 12 HA TYR 12 -26.087 3.941 9.178 106 1HB TYR 12 HB2 TYR 12 -26.557 2.043 7.611 107 2HB TYR 12 HB1 TYR 12 -24.828 1.921 7.306 108 HD1 TYR 12 HD1 TYR 12 -27.394 1.652 9.975 109 HD2 TYR 12 HD2 TYR 12 -23.438 0.674 8.748 110 HE1 TYR 12 HE1 TYR 12 -27.174 0.144 11.905 111 HE2 TYR 12 HE2 TYR 12 -23.207 -0.835 10.677 112 HH TYR 12 HH TYR 12 -24.175 -1.179 12.881 113 H ASN 13 HN ASN 13 -24.606 4.401 10.674 114 HA ASN 13 HA ASN 13 -21.815 4.633 9.797 115 1HB ASN 13 HB2 ASN 13 -21.480 6.179 11.669 116 2HB ASN 13 HB1 ASN 13 -22.754 6.743 10.598 117 1HD2 ASN 13 HD21 ASN 13 -22.189 7.393 13.369 118 2HD2 ASN 13 HD22 ASN 13 -23.633 7.015 14.254 119 H VAL 14 HN VAL 14 -20.251 3.514 10.774 120 HA VAL 14 HA VAL 14 -21.089 1.616 12.863 121 HB VAL 14 HB VAL 14 -18.719 1.415 10.990 122 1HG1 VAL 14 HG11 VAL 14 -18.526 -0.880 11.827 123 2HG1 VAL 14 HG12 VAL 14 -19.848 -0.578 12.953 124 3HG1 VAL 14 HG13 VAL 14 -18.329 0.301 13.123 125 1HG2 VAL 14 HG21 VAL 14 -20.816 1.160 9.782 126 2HG2 VAL 14 HG22 VAL 14 -21.359 -0.047 10.949 127 3HG2 VAL 14 HG23 VAL 14 -19.981 -0.389 9.902 128 H MET 15 HN MET 15 -20.615 2.395 14.779 129 HA MET 15 HA MET 15 -19.500 3.204 16.567 130 1HB MET 15 HB2 MET 15 -17.047 2.688 14.874 131 2HB MET 15 HB1 MET 15 -17.014 3.116 16.581 132 1HG MET 15 HG2 MET 15 -18.241 1.082 17.124 133 2HG MET 15 HG1 MET 15 -18.296 0.657 15.414 134 1HE MET 15 HE1 MET 15 -17.273 -1.727 15.969 135 2HE MET 15 HE2 MET 15 -17.217 -1.306 17.681 136 3HE MET 15 HE3 MET 15 -15.786 -1.964 16.889 137 H GLY 16 HN GLY 16 -17.367 4.484 14.026 138 1HA GLY 16 HA2 GLY 16 -18.366 7.179 14.641 139 2HA GLY 16 HA1 GLY 16 -16.643 6.859 14.753 140 H ILE 17 HN ILE 17 -17.661 4.936 12.312 141 HA ILE 17 HA ILE 17 -16.895 6.958 10.329 142 HB ILE 17 HB ILE 17 -16.924 3.942 10.027 143 1HG1 ILE 17 HG12 ILE 17 -14.371 4.375 9.830 144 2HG1 ILE 17 HG11 ILE 17 -14.714 5.899 10.637 145 1HG2 ILE 17 HG21 ILE 17 -15.707 4.368 7.934 146 2HG2 ILE 17 HG22 ILE 17 -15.911 6.103 8.179 147 3HG2 ILE 17 HG23 ILE 17 -17.322 5.076 7.920 148 1HD1 ILE 17 HD11 ILE 17 -15.641 4.670 12.539 149 2HD1 ILE 17 HD12 ILE 17 -13.962 4.234 12.217 150 3HD1 ILE 17 HD13 ILE 17 -15.264 3.150 11.727 151 H THR 18 HN THR 18 -18.470 7.839 9.204 152 HA THR 18 HA THR 18 -21.115 6.614 9.271 153 HB THR 18 HB THR 18 -20.366 9.312 8.140 154 HG1 THR 18 HG1 THR 18 -19.758 9.574 10.197 155 1HG2 THR 18 HG21 THR 18 -22.703 9.856 8.674 156 2HG2 THR 18 HG22 THR 18 -22.951 8.210 9.257 157 3HG2 THR 18 HG23 THR 18 -22.600 8.499 7.553 158 H PHE 19 HN PHE 19 -21.641 5.256 7.667 159 HA PHE 19 HA PHE 19 -20.432 5.643 5.021 160 1HB PHE 19 HB2 PHE 19 -21.919 3.269 6.160 161 2HB PHE 19 HB1 PHE 19 -21.223 3.347 4.548 162 HD1 PHE 19 HD1 PHE 19 -18.762 3.451 4.280 163 HD2 PHE 19 HD2 PHE 19 -20.611 2.764 8.049 164 HE1 PHE 19 HE1 PHE 19 -16.643 2.555 5.152 165 HE2 PHE 19 HE2 PHE 19 -18.496 1.871 8.931 166 HZ PHE 19 HZ PHE 19 -16.511 1.763 7.481 167 H ARG 20 HN ARG 20 -21.678 5.566 3.144 168 HA ARG 20 HA ARG 20 -24.591 5.794 3.442 169 1HB ARG 20 HB2 ARG 20 -22.766 7.534 1.780 170 2HB ARG 20 HB1 ARG 20 -24.489 7.407 1.469 171 1HG ARG 20 HG2 ARG 20 -24.971 8.292 3.682 172 2HG ARG 20 HG1 ARG 20 -23.242 8.381 4.030 173 1HD ARG 20 HD2 ARG 20 -22.914 10.009 2.303 174 2HD ARG 20 HD1 ARG 20 -24.569 9.810 1.733 175 HE ARG 20 HE ARG 20 -24.954 10.622 4.258 176 1HH1 ARG 20 HH11 ARG 20 -22.856 11.858 1.740 177 2HH1 ARG 20 HH12 ARG 20 -22.992 13.511 2.264 178 1HH2 ARG 20 HH21 ARG 20 -25.147 12.776 4.942 179 2HH2 ARG 20 HH22 ARG 20 -24.322 14.039 4.074 180 H ALA 21 HN ALA 21 -25.786 4.929 1.696 181 HA ALA 21 HA ALA 21 -24.713 2.747 0.322 182 1HB ALA 21 HB1 ALA 21 -27.116 3.076 0.686 183 2HB ALA 21 HB2 ALA 21 -26.750 2.773 -1.012 184 3HB ALA 21 HB3 ALA 21 -27.103 4.412 -0.466 185 H GLY 22 HN GLY 22 -23.112 2.801 -1.126 186 1HA GLY 22 HA2 GLY 22 -22.492 3.232 -3.411 187 2HA GLY 22 HA1 GLY 22 -23.286 4.794 -3.289 188 H VAL 23 HN VAL 23 -21.804 4.659 -0.458 189 HA VAL 23 HA VAL 23 -19.409 6.006 -1.503 190 HB VAL 23 HB VAL 23 -20.663 6.203 1.243 191 1HG1 VAL 23 HG11 VAL 23 -18.373 7.749 0.029 192 2HG1 VAL 23 HG12 VAL 23 -18.251 6.552 1.317 193 3HG1 VAL 23 HG13 VAL 23 -19.110 8.066 1.599 194 1HG2 VAL 23 HG21 VAL 23 -20.651 8.162 -1.050 195 2HG2 VAL 23 HG22 VAL 23 -21.318 8.459 0.556 196 3HG2 VAL 23 HG23 VAL 23 -22.040 7.233 -0.487 197 H SER 24 HN SER 24 -17.570 4.930 -1.417 198 HA SER 24 HA SER 24 -17.260 2.745 0.518 199 1HB SER 24 HB2 SER 24 -15.306 2.121 -0.980 200 2HB SER 24 HB1 SER 24 -16.897 2.002 -1.731 201 HG SER 24 HG SER 24 -15.930 3.179 -3.214 202 H GLN 25 HN GLN 25 -15.991 3.059 2.243 203 HA GLN 25 HA GLN 25 -13.922 5.151 2.082 204 1HB GLN 25 HB2 GLN 25 -15.813 4.629 4.376 205 2HB GLN 25 HB1 GLN 25 -14.405 5.677 4.477 206 1HG GLN 25 HG2 GLN 25 -15.333 7.136 2.782 207 2HG GLN 25 HG1 GLN 25 -16.723 6.067 2.599 208 1HE2 GLN 25 HE21 GLN 25 -18.263 5.984 4.214 209 2HE2 GLN 25 HE22 GLN 25 -18.408 7.217 5.418 210 H THR 26 HN THR 26 -12.165 4.912 3.596 211 HA THR 26 HA THR 26 -11.217 2.235 3.682 212 HB THR 26 HB THR 26 -9.403 3.511 5.167 213 HG1 THR 26 HG1 THR 26 -10.096 5.529 5.364 214 1HG2 THR 26 HG21 THR 26 -8.984 2.506 2.979 215 2HG2 THR 26 HG22 THR 26 -8.242 4.102 3.081 216 3HG2 THR 26 HG23 THR 26 -9.746 3.885 2.188 217 H VAL 27 HN VAL 27 -11.357 0.779 5.236 218 HA VAL 27 HA VAL 27 -12.073 1.670 7.952 219 HB VAL 27 HB VAL 27 -13.320 -0.410 8.281 220 1HG1 VAL 27 HG11 VAL 27 -14.231 1.138 5.863 221 2HG1 VAL 27 HG12 VAL 27 -14.538 1.551 7.551 222 3HG1 VAL 27 HG13 VAL 27 -15.248 0.094 6.857 223 1HG2 VAL 27 HG21 VAL 27 -13.875 -1.860 6.366 224 2HG2 VAL 27 HG22 VAL 27 -12.149 -1.867 6.727 225 3HG2 VAL 27 HG23 VAL 27 -12.761 -0.935 5.359 226 HA PRO 28 HA PRO 28 -8.471 -0.557 9.353 227 1HB PRO 28 HB2 PRO 28 -10.055 -1.109 11.787 228 2HB PRO 28 HB1 PRO 28 -8.517 -0.257 11.620 229 1HG PRO 28 HG2 PRO 28 -10.784 1.056 12.167 230 2HG PRO 28 HG1 PRO 28 -9.532 1.757 11.126 231 1HD PRO 28 HD2 PRO 28 -12.126 0.469 10.370 232 2HD PRO 28 HD1 PRO 28 -11.335 1.903 9.681 233 H LYS 29 HN LYS 29 -7.835 -2.712 9.876 234 HA LYS 29 HA LYS 29 -9.177 -4.710 8.501 235 1HB LYS 29 HB2 LYS 29 -6.792 -4.795 9.128 236 2HB LYS 29 HB1 LYS 29 -7.253 -5.073 10.802 237 1HG LYS 29 HG2 LYS 29 -8.273 -7.189 10.201 238 2HG LYS 29 HG1 LYS 29 -7.899 -6.903 8.499 239 1HD LYS 29 HD2 LYS 29 -5.506 -6.887 9.040 240 2HD LYS 29 HD1 LYS 29 -5.892 -7.198 10.733 241 1HE LYS 29 HE2 LYS 29 -6.603 -9.008 8.429 242 2HE LYS 29 HE1 LYS 29 -5.222 -9.232 9.500 243 1HZ LYS 29 HZ1 LYS 29 -7.017 -10.618 10.218 244 2HZ LYS 29 HZ2 LYS 29 -8.096 -9.312 10.267 245 3HZ LYS 29 HZ3 LYS 29 -6.807 -9.388 11.367 246 H LYS 30 HN LYS 30 -9.423 -3.831 11.897 247 HA LYS 30 HA LYS 30 -10.884 -6.032 12.810 248 1HB LYS 30 HB2 LYS 30 -10.947 -3.161 13.750 249 2HB LYS 30 HB1 LYS 30 -11.661 -4.512 14.621 250 1HG LYS 30 HG2 LYS 30 -9.452 -5.540 14.831 251 2HG LYS 30 HG1 LYS 30 -8.740 -4.177 13.968 252 1HD LYS 30 HD2 LYS 30 -10.269 -3.949 16.558 253 2HD LYS 30 HD1 LYS 30 -8.511 -4.031 16.442 254 1HE LYS 30 HE2 LYS 30 -8.514 -1.991 15.081 255 2HE LYS 30 HE1 LYS 30 -10.270 -1.908 15.217 256 1HZ LYS 30 HZ1 LYS 30 -8.468 -1.878 17.574 257 2HZ LYS 30 HZ2 LYS 30 -10.121 -1.491 17.524 258 3HZ LYS 30 HZ3 LYS 30 -8.986 -0.467 16.788 259 H LEU 31 HN LEU 31 -11.993 -2.967 11.397 260 HA LEU 31 HA LEU 31 -14.763 -3.704 11.645 261 1HB LEU 31 HB2 LEU 31 -13.420 -1.434 10.181 262 2HB LEU 31 HB1 LEU 31 -15.158 -1.652 10.267 263 HG LEU 31 HG LEU 31 -13.312 -1.136 12.601 264 1HD1 LEU 31 HD11 LEU 31 -14.517 0.984 12.766 265 2HD1 LEU 31 HD12 LEU 31 -15.431 0.578 11.314 266 3HD1 LEU 31 HD13 LEU 31 -13.688 0.829 11.217 267 1HD2 LEU 31 HD21 LEU 31 -16.308 -1.479 12.544 268 2HD2 LEU 31 HD22 LEU 31 -15.343 -1.022 13.947 269 3HD2 LEU 31 HD23 LEU 31 -15.150 -2.620 13.227 270 H TYR 32 HN TYR 32 -12.266 -3.955 9.257 271 HA TYR 32 HA TYR 32 -13.757 -4.480 6.965 272 1HB TYR 32 HB2 TYR 32 -11.371 -4.189 6.841 273 2HB TYR 32 HB1 TYR 32 -11.095 -5.571 7.891 274 HD1 TYR 32 HD2 TYR 32 -12.532 -4.682 4.562 275 HD2 TYR 32 HD1 TYR 32 -10.642 -7.645 6.960 276 HE1 TYR 32 HE2 TYR 32 -12.301 -6.126 2.584 277 HE2 TYR 32 HE1 TYR 32 -10.406 -9.098 4.994 278 HH TYR 32 HH TYR 32 -11.534 -9.395 2.774 279 H GLU 33 HN GLU 33 -12.607 -6.732 9.464 280 HA GLU 33 HA GLU 33 -14.008 -8.957 8.312 281 1HB GLU 33 HB2 GLU 33 -12.573 -8.567 10.932 282 2HB GLU 33 HB1 GLU 33 -13.373 -10.074 10.499 283 1HG GLU 33 HG2 GLU 33 -11.924 -10.403 8.643 284 2HG GLU 33 HG1 GLU 33 -11.236 -8.788 8.824 285 H TYR 34 HN TYR 34 -14.659 -6.584 10.796 286 HA TYR 34 HA TYR 34 -16.895 -7.791 11.983 287 1HB TYR 34 HB2 TYR 34 -15.723 -5.767 12.850 288 2HB TYR 34 HB1 TYR 34 -16.429 -4.833 11.538 289 HD1 TYR 34 HD1 TYR 34 -17.419 -7.028 14.382 290 HD2 TYR 34 HD2 TYR 34 -18.445 -3.738 11.891 291 HE1 TYR 34 HE1 TYR 34 -19.390 -6.592 15.782 292 HE2 TYR 34 HE2 TYR 34 -20.423 -3.293 13.284 293 HH TYR 34 HH TYR 34 -20.871 -4.746 16.341 294 H LEU 35 HN LEU 35 -16.650 -5.584 9.206 295 HA LEU 35 HA LEU 35 -19.457 -5.782 8.617 296 1HB LEU 35 HB2 LEU 35 -17.187 -4.713 6.937 297 2HB LEU 35 HB1 LEU 35 -18.892 -4.519 6.582 298 HG LEU 35 HG LEU 35 -17.426 -3.357 8.952 299 1HD1 LEU 35 HD11 LEU 35 -16.918 -2.230 6.856 300 2HD1 LEU 35 HD12 LEU 35 -17.911 -1.210 7.896 301 3HD1 LEU 35 HD13 LEU 35 -18.641 -2.046 6.525 302 1HD2 LEU 35 HD21 LEU 35 -19.701 -3.967 9.562 303 2HD2 LEU 35 HD22 LEU 35 -20.324 -3.112 8.151 304 3HD2 LEU 35 HD23 LEU 35 -19.537 -2.214 9.448 305 H ASN 36 HN ASN 36 -16.637 -7.580 7.880 306 HA ASN 36 HA ASN 36 -17.497 -8.910 5.545 307 1HB ASN 36 HB2 ASN 36 -15.167 -8.943 6.350 308 2HB ASN 36 HB1 ASN 36 -15.662 -9.883 7.750 309 1HD2 ASN 36 HD21 ASN 36 -16.085 -12.055 7.528 310 2HD2 ASN 36 HD22 ASN 36 -15.660 -12.932 6.099 311 H GLU 37 HN GLU 37 -18.209 -9.305 8.921 312 HA GLU 37 HA GLU 37 -19.692 -11.768 8.470 313 1HB GLU 37 HB2 GLU 37 -19.433 -10.108 10.982 314 2HB GLU 37 HB1 GLU 37 -20.109 -11.725 10.872 315 1HG GLU 37 HG2 GLU 37 -17.249 -10.927 10.397 316 2HG GLU 37 HG1 GLU 37 -17.887 -11.840 11.763 317 H ASN 38 HN ASN 38 -20.355 -8.825 7.556 318 HA ASN 38 HA ASN 38 -23.218 -9.048 8.167 319 1HB ASN 38 HB2 ASN 38 -21.501 -6.587 8.466 320 2HB ASN 38 HB1 ASN 38 -23.248 -6.488 8.261 321 1HD2 ASN 38 HD21 ASN 38 -20.654 -7.367 10.401 322 2HD2 ASN 38 HD22 ASN 38 -21.633 -7.595 11.814 323 HA PRO 39 HA PRO 39 -22.565 -9.025 3.710 324 1HB PRO 39 HB2 PRO 39 -25.289 -10.078 3.556 325 2HB PRO 39 HB1 PRO 39 -23.764 -10.843 3.105 326 1HG PRO 39 HG2 PRO 39 -25.194 -11.648 5.243 327 2HG PRO 39 HG1 PRO 39 -23.422 -11.712 5.209 328 1HD PRO 39 HD2 PRO 39 -25.220 -9.678 6.486 329 2HD PRO 39 HD1 PRO 39 -23.755 -10.450 7.133 330 H TYR 40 HN TYR 40 -23.861 -6.620 5.149 331 HA TYR 40 HA TYR 40 -25.416 -5.769 2.805 332 1HB TYR 40 HB2 TYR 40 -26.233 -3.888 4.388 333 2HB TYR 40 HB1 TYR 40 -26.938 -5.491 4.517 334 HD1 TYR 40 HD2 TYR 40 -24.671 -3.070 6.102 335 HD2 TYR 40 HD1 TYR 40 -26.687 -6.787 6.489 336 HE1 TYR 40 HE2 TYR 40 -24.167 -3.080 8.510 337 HE2 TYR 40 HE1 TYR 40 -26.198 -6.812 8.901 338 HH TYR 40 HH TYR 40 -24.563 -5.833 10.460 339 H PHE 41 HN PHE 41 -22.427 -5.686 3.801 340 HA PHE 41 HA PHE 41 -21.965 -3.058 2.550 341 1HB PHE 41 HB2 PHE 41 -20.483 -4.429 4.784 342 2HB PHE 41 HB1 PHE 41 -19.654 -3.287 3.737 343 HD1 PHE 41 HD2 PHE 41 -22.183 -3.693 6.345 344 HD2 PHE 41 HD1 PHE 41 -20.126 -0.935 3.846 345 HE1 PHE 41 HE2 PHE 41 -22.959 -1.835 7.760 346 HE2 PHE 41 HE1 PHE 41 -20.893 0.925 5.258 347 HZ PHE 41 HZ PHE 41 -22.311 0.478 7.218 348 H ILE 42 HN ILE 42 -20.601 -3.078 0.772 349 HA ILE 42 HA ILE 42 -19.452 -5.681 0.079 350 HB ILE 42 HB ILE 42 -20.723 -4.458 -1.698 351 1HG1 ILE 42 HG12 ILE 42 -17.787 -4.880 -2.294 352 2HG1 ILE 42 HG11 ILE 42 -19.000 -6.154 -2.221 353 1HG2 ILE 42 HG21 ILE 42 -20.079 -2.179 -1.149 354 2HG2 ILE 42 HG22 ILE 42 -19.666 -2.557 -2.821 355 3HG2 ILE 42 HG23 ILE 42 -18.407 -2.531 -1.586 356 1HD1 ILE 42 HD11 ILE 42 -20.164 -5.173 -4.114 357 2HD1 ILE 42 HD12 ILE 42 -18.481 -5.520 -4.515 358 3HD1 ILE 42 HD13 ILE 42 -18.982 -3.864 -4.174 359 H LEU 43 HN LEU 43 -17.369 -6.084 0.296 360 HA LEU 43 HA LEU 43 -15.716 -3.919 1.375 361 1HB LEU 43 HB2 LEU 43 -15.554 -6.912 1.720 362 2HB LEU 43 HB1 LEU 43 -14.393 -5.774 2.387 363 HG LEU 43 HG LEU 43 -17.283 -5.414 3.037 364 1HD1 LEU 43 HD11 LEU 43 -17.116 -6.914 4.920 365 2HD1 LEU 43 HD12 LEU 43 -15.479 -7.372 4.441 366 3HD1 LEU 43 HD13 LEU 43 -16.851 -7.796 3.416 367 1HD2 LEU 43 HD21 LEU 43 -16.365 -4.539 5.110 368 2HD2 LEU 43 HD22 LEU 43 -15.639 -3.738 3.716 369 3HD2 LEU 43 HD23 LEU 43 -14.739 -4.978 4.591 370 H THR 44 HN THR 44 -14.578 -3.046 -0.183 371 HA THR 44 HA THR 44 -13.371 -4.780 -2.224 372 HB THR 44 HB THR 44 -13.713 -1.778 -2.328 373 HG1 THR 44 HG1 THR 44 -15.552 -3.770 -2.598 374 1HG2 THR 44 HG21 THR 44 -13.222 -3.841 -4.481 375 2HG2 THR 44 HG22 THR 44 -12.040 -2.688 -3.863 376 3HG2 THR 44 HG23 THR 44 -13.454 -2.114 -4.748 377 H GLN 45 HN GLN 45 -11.236 -5.105 -2.136 378 HA GLN 45 HA GLN 45 -9.626 -3.249 -0.528 379 1HB GLN 45 HB2 GLN 45 -7.937 -5.112 -0.487 380 2HB GLN 45 HB1 GLN 45 -9.443 -5.459 0.347 381 1HG GLN 45 HG2 GLN 45 -10.199 -6.711 -1.654 382 2HG GLN 45 HG1 GLN 45 -8.607 -6.451 -2.367 383 1HE2 GLN 45 HE21 GLN 45 -9.942 -8.934 -1.670 384 2HE2 GLN 45 HE22 GLN 45 -8.897 -9.753 -0.559 385 H GLU 46 HN GLU 46 -8.732 -1.748 -1.725 386 HA GLU 46 HA GLU 46 -8.142 -2.337 -4.531 387 1HB GLU 46 HB2 GLU 46 -8.559 0.284 -3.086 388 2HB GLU 46 HB1 GLU 46 -8.133 0.148 -4.787 389 1HG GLU 46 HG2 GLU 46 -10.590 -1.132 -3.632 390 2HG GLU 46 HG1 GLU 46 -10.575 0.522 -4.242 391 H LEU 47 HN LEU 47 -6.140 -3.026 -4.735 392 HA LEU 47 HA LEU 47 -3.983 -1.425 -3.527 393 1HB LEU 47 HB2 LEU 47 -3.967 -4.370 -4.217 394 2HB LEU 47 HB1 LEU 47 -2.593 -3.468 -3.608 395 HG LEU 47 HG LEU 47 -5.165 -3.926 -2.092 396 1HD1 LEU 47 HD11 LEU 47 -2.458 -5.216 -1.790 397 2HD1 LEU 47 HD12 LEU 47 -3.921 -5.996 -2.392 398 3HD1 LEU 47 HD13 LEU 47 -3.837 -5.450 -0.717 399 1HD2 LEU 47 HD21 LEU 47 -3.907 -3.054 -0.179 400 2HD2 LEU 47 HD22 LEU 47 -4.056 -1.853 -1.462 401 3HD2 LEU 47 HD23 LEU 47 -2.537 -2.720 -1.238 402 H ASN 48 HN ASN 48 -3.400 -0.087 -5.151 403 HA ASN 48 HA ASN 48 -2.414 -1.272 -7.609 404 1HB ASN 48 HB2 ASN 48 -4.808 -0.846 -8.079 405 2HB ASN 48 HB1 ASN 48 -4.575 0.849 -7.665 406 1HD2 ASN 48 HD21 ASN 48 -4.079 -1.618 -10.026 407 2HD2 ASN 48 HD22 ASN 48 -3.517 -0.579 -11.292 408 H ASN 49 HN ASN 49 -0.444 -0.471 -7.694 409 HA ASN 49 HA ASN 49 1.280 0.976 -7.885 410 1HB ASN 49 HB2 ASN 49 -1.032 2.717 -8.656 411 2HB ASN 49 HB1 ASN 49 0.591 3.394 -8.546 412 1HD2 ASN 49 HD21 ASN 49 -1.533 1.315 -10.312 413 2HD2 ASN 49 HD22 ASN 49 -0.465 1.023 -11.645 414 H GLN 50 HN GLN 50 1.398 3.776 -7.247 415 HA GLN 50 HA GLN 50 1.089 3.798 -4.346 416 1HB GLN 50 HB2 GLN 50 3.770 3.998 -5.730 417 2HB GLN 50 HB1 GLN 50 3.495 4.352 -4.032 418 1HG GLN 50 HG2 GLN 50 2.903 2.062 -3.600 419 2HG GLN 50 HG1 GLN 50 3.010 1.676 -5.318 420 1HE2 GLN 50 HE21 GLN 50 5.025 1.495 -6.281 421 2HE2 GLN 50 HE22 GLN 50 6.487 1.377 -5.362 422 H LYS 51 HN LYS 51 2.757 5.531 -6.977 423 HA LYS 51 HA LYS 51 2.536 8.033 -5.577 424 1HB LYS 51 HB2 LYS 51 3.711 8.874 -7.706 425 2HB LYS 51 HB1 LYS 51 4.583 7.763 -6.661 426 1HG LYS 51 HG2 LYS 51 5.021 6.970 -8.796 427 2HG LYS 51 HG1 LYS 51 3.724 5.922 -8.230 428 1HD LYS 51 HD2 LYS 51 2.826 6.411 -10.243 429 2HD LYS 51 HD1 LYS 51 2.274 7.862 -9.406 430 1HE LYS 51 HE2 LYS 51 4.757 7.599 -11.098 431 2HE LYS 51 HE1 LYS 51 3.275 8.433 -11.547 432 1HZ LYS 51 HZ1 LYS 51 5.089 9.207 -9.321 433 2HZ LYS 51 HZ2 LYS 51 3.669 10.020 -9.762 434 3HZ LYS 51 HZ3 LYS 51 4.986 9.971 -10.830 435 H ASP 52 HN ASP 52 0.021 6.885 -6.384 436 HA ASP 52 HA ASP 52 -0.889 8.546 -8.593 437 1HB ASP 52 HB2 ASP 52 -2.218 6.377 -6.971 438 2HB ASP 52 HB1 ASP 52 -3.089 7.345 -8.158 439 H ASP 53 HN ASP 53 -0.684 8.713 -5.225 440 HA ASP 53 HA ASP 53 -2.204 11.191 -5.265 441 1HB ASP 53 HB2 ASP 53 -3.653 9.122 -4.502 442 2HB ASP 53 HB1 ASP 53 -2.771 9.321 -2.992 443 HA PRO 54 HA PRO 54 1.599 11.576 -2.837 444 1HB PRO 54 HB2 PRO 54 2.406 13.913 -3.835 445 2HB PRO 54 HB1 PRO 54 2.512 12.430 -4.790 446 1HG PRO 54 HG2 PRO 54 0.547 14.662 -4.970 447 2HG PRO 54 HG1 PRO 54 1.245 13.672 -6.261 448 1HD PRO 54 HD2 PRO 54 -1.275 13.316 -5.075 449 2HD PRO 54 HD1 PRO 54 -0.429 12.148 -6.107 450 H ILE 55 HN ILE 55 2.432 13.203 -1.343 451 HA ILE 55 HA ILE 55 2.282 14.498 0.505 452 HB ILE 55 HB ILE 55 2.102 16.171 -1.417 453 1HG1 ILE 55 HG12 ILE 55 1.753 18.046 0.132 454 2HG1 ILE 55 HG11 ILE 55 1.037 16.944 1.304 455 1HG2 ILE 55 HG21 ILE 55 0.054 17.508 -1.532 456 2HG2 ILE 55 HG22 ILE 55 -0.741 16.373 -0.439 457 3HG2 ILE 55 HG23 ILE 55 -0.222 15.841 -2.038 458 1HD1 ILE 55 HD11 ILE 55 3.163 15.757 1.479 459 2HD1 ILE 55 HD12 ILE 55 3.334 17.467 1.876 460 3HD1 ILE 55 HD13 ILE 55 3.876 16.866 0.309 461 H ASN 56 HN ASN 56 0.332 12.359 0.213 462 HA ASN 56 HA ASN 56 -1.515 13.060 2.310 463 1HB ASN 56 HB2 ASN 56 -2.767 13.858 0.366 464 2HB ASN 56 HB1 ASN 56 -2.535 12.312 -0.443 465 1HD2 ASN 56 HD21 ASN 56 -4.617 11.701 -0.637 466 2HD2 ASN 56 HD22 ASN 56 -5.667 11.400 0.710 467 H TYR 57 HN TYR 57 -0.587 11.389 3.477 468 HA TYR 57 HA TYR 57 -1.332 8.703 2.605 469 1HB TYR 57 HB2 TYR 57 1.462 9.403 3.549 470 2HB TYR 57 HB1 TYR 57 0.871 7.784 3.200 471 HD1 TYR 57 HD1 TYR 57 1.935 10.978 1.750 472 HD2 TYR 57 HD2 TYR 57 0.627 7.015 0.918 473 HE1 TYR 57 HE1 TYR 57 2.642 11.241 -0.585 474 HE2 TYR 57 HE2 TYR 57 1.343 7.266 -1.423 475 HH TYR 57 HH TYR 57 1.718 9.139 -3.030 476 H THR 58 HN THR 58 -1.344 7.162 4.380 477 HA THR 58 HA THR 58 -2.197 8.232 6.845 478 HB THR 58 HB THR 58 -1.230 5.419 6.514 479 HG1 THR 58 HG1 THR 58 -2.682 5.142 5.011 480 1HG2 THR 58 HG21 THR 58 -1.971 6.118 8.744 481 2HG2 THR 58 HG22 THR 58 -3.077 4.932 8.053 482 3HG2 THR 58 HG23 THR 58 -3.516 6.640 8.072 483 H GLU 59 HN GLU 59 -1.156 8.480 8.796 484 HA GLU 59 HA GLU 59 1.611 8.770 8.917 485 1HB GLU 59 HB2 GLU 59 0.462 9.793 10.649 486 2HB GLU 59 HB1 GLU 59 -0.543 8.388 10.960 487 1HG GLU 59 HG2 GLU 59 2.361 8.174 11.519 488 2HG GLU 59 HG1 GLU 59 1.372 9.153 12.602 489 H SER 60 HN SER 60 -0.428 5.961 9.343 490 HA SER 60 HA SER 60 1.483 4.100 10.152 491 1HB SER 60 HB2 SER 60 -0.809 3.608 8.236 492 2HB SER 60 HB1 SER 60 -0.022 2.420 9.276 493 HG SER 60 HG SER 60 -0.969 3.292 11.033 494 H GLU 61 HN GLU 61 0.707 5.417 6.928 495 HA GLU 61 HA GLU 61 2.582 3.575 5.670 496 1HB GLU 61 HB2 GLU 61 0.766 5.724 4.654 497 2HB GLU 61 HB1 GLU 61 2.088 5.166 3.641 498 1HG GLU 61 HG2 GLU 61 0.216 3.924 2.985 499 2HG GLU 61 HG1 GLU 61 1.187 2.831 3.966 500 H LEU 62 HN LEU 62 2.500 6.938 6.647 501 HA LEU 62 HA LEU 62 4.907 7.687 5.314 502 1HB LEU 62 HB2 LEU 62 3.332 8.981 7.534 503 2HB LEU 62 HB1 LEU 62 4.760 9.706 6.815 504 HG LEU 62 HG LEU 62 2.243 9.008 5.301 505 1HD1 LEU 62 HD11 LEU 62 3.258 11.671 6.280 506 2HD1 LEU 62 HD12 LEU 62 1.831 10.817 6.866 507 3HD1 LEU 62 HD13 LEU 62 1.876 11.430 5.211 508 1HD2 LEU 62 HD21 LEU 62 4.698 10.556 4.483 509 2HD2 LEU 62 HD22 LEU 62 3.252 10.313 3.503 510 3HD2 LEU 62 HD23 LEU 62 4.266 8.936 3.934 511 H LYS 63 HN LYS 63 4.240 6.022 8.203 512 HA LYS 63 HA LYS 63 6.529 6.624 9.724 513 1HB LYS 63 HB2 LYS 63 4.340 4.805 9.864 514 2HB LYS 63 HB1 LYS 63 5.817 3.875 10.069 515 1HG LYS 63 HG2 LYS 63 4.908 4.600 12.209 516 2HG LYS 63 HG1 LYS 63 6.493 5.318 11.908 517 1HD LYS 63 HD2 LYS 63 5.422 7.387 11.185 518 2HD LYS 63 HD1 LYS 63 3.834 6.672 11.464 519 1HE LYS 63 HE2 LYS 63 5.931 7.030 13.595 520 2HE LYS 63 HE1 LYS 63 4.633 8.180 13.284 521 1HZ LYS 63 HZ1 LYS 63 4.378 5.381 14.232 522 2HZ LYS 63 HZ2 LYS 63 3.060 6.299 13.683 523 3HZ LYS 63 HZ3 LYS 63 3.936 6.805 15.046 524 H GLY 64 HN GLY 64 5.966 4.432 7.048 525 1HA GLY 64 HA2 GLY 64 8.789 3.587 7.223 526 2HA GLY 64 HA1 GLY 64 7.500 2.533 6.667 527 H MET 65 HN MET 65 7.912 2.122 4.628 528 HA MET 65 HA MET 65 8.436 2.327 2.438 529 1HB MET 65 HB2 MET 65 7.428 5.148 2.851 530 2HB MET 65 HB1 MET 65 7.832 4.469 1.280 531 1HG MET 65 HG2 MET 65 6.133 2.678 1.731 532 2HG MET 65 HG1 MET 65 5.646 3.599 3.151 533 1HE MET 65 HE1 MET 65 5.849 6.593 2.238 534 2HE MET 65 HE2 MET 65 4.443 5.934 3.076 535 3HE MET 65 HE3 MET 65 4.228 6.880 1.603 536 H ASN 66 HN ASN 66 9.618 4.350 0.930 537 HA ASN 66 HA ASN 66 12.211 4.580 2.311 538 1HB ASN 66 HB2 ASN 66 12.186 3.238 0.227 539 2HB ASN 66 HB1 ASN 66 11.593 4.638 -0.656 540 1HD2 ASN 66 HD21 ASN 66 13.339 4.671 -2.026 541 2HD2 ASN 66 HD22 ASN 66 14.921 5.168 -1.520 542 H LYS 67 HN LYS 67 13.487 6.560 1.712 543 HA LYS 67 HA LYS 67 11.893 8.841 2.310 544 1HB LYS 67 HB2 LYS 67 14.811 8.605 1.574 545 2HB LYS 67 HB1 LYS 67 14.040 10.119 2.017 546 1HG LYS 67 HG2 LYS 67 15.062 9.427 3.978 547 2HG LYS 67 HG1 LYS 67 13.386 8.920 4.191 548 1HD LYS 67 HD2 LYS 67 14.928 7.168 4.903 549 2HD LYS 67 HD1 LYS 67 13.987 6.648 3.503 550 1HE LYS 67 HE2 LYS 67 15.860 7.160 2.035 551 2HE LYS 67 HE1 LYS 67 16.797 7.739 3.410 552 1HZ LYS 67 HZ1 LYS 67 16.799 5.540 4.339 553 2HZ LYS 67 HZ2 LYS 67 17.378 5.465 2.747 554 3HZ LYS 67 HZ3 LYS 67 15.796 4.958 3.100 555 H ALA 68 HN ALA 68 13.287 7.516 -0.590 556 HA ALA 68 HA ALA 68 13.391 9.654 -2.295 557 1HB ALA 68 HB1 ALA 68 14.161 7.401 -2.855 558 2HB ALA 68 HB2 ALA 68 13.134 8.076 -4.120 559 3HB ALA 68 HB3 ALA 68 12.486 6.871 -3.007 560 H GLU 69 HN GLU 69 10.531 7.620 -1.667 561 HA GLU 69 HA GLU 69 8.750 8.911 -3.378 562 1HB GLU 69 HB2 GLU 69 8.137 7.697 -0.674 563 2HB GLU 69 HB1 GLU 69 6.950 8.078 -1.909 564 1HG GLU 69 HG2 GLU 69 7.243 5.804 -2.145 565 2HG GLU 69 HG1 GLU 69 8.293 6.466 -3.395 566 H HIS 70 HN HIS 70 9.275 9.491 0.086 567 HA HIS 70 HA HIS 70 7.545 11.628 0.412 568 1HB HIS 70 HB2 HIS 70 10.164 11.264 1.879 569 2HB HIS 70 HB1 HIS 70 8.744 12.129 2.447 570 HD1 HIS 70 HD1 HIS 70 6.503 10.309 2.430 571 HD2 HIS 70 HD2 HIS 70 10.346 8.872 3.094 572 HE1 HIS 70 HE1 HIS 70 6.207 8.105 3.605 573 HE2 HIS 70 HE2 HIS 70 8.537 7.180 3.858 574 H GLU 71 HN GLU 71 10.996 11.654 -0.412 575 HA GLU 71 HA GLU 71 11.442 14.399 -0.352 576 1HB GLU 71 HB2 GLU 71 12.712 12.298 -2.112 577 2HB GLU 71 HB1 GLU 71 13.332 13.927 -1.898 578 1HG GLU 71 HG2 GLU 71 13.738 13.508 0.443 579 2HG GLU 71 HG1 GLU 71 13.010 11.907 0.306 580 H SER 72 HN SER 72 10.562 12.354 -3.125 581 HA SER 72 HA SER 72 10.525 14.331 -5.087 582 1HB SER 72 HB2 SER 72 8.723 11.901 -4.937 583 2HB SER 72 HB1 SER 72 9.196 12.774 -6.394 584 HG SER 72 HG SER 72 10.664 10.992 -4.812 585 H ILE 73 HN ILE 73 8.065 13.339 -2.799 586 HA ILE 73 HA ILE 73 5.873 14.725 -3.847 587 HB ILE 73 HB ILE 73 6.505 14.046 -0.973 588 1HG1 ILE 73 HG12 ILE 73 4.690 12.610 -2.914 589 2HG1 ILE 73 HG11 ILE 73 6.370 12.152 -2.643 590 1HG2 ILE 73 HG21 ILE 73 3.893 14.841 -2.251 591 2HG2 ILE 73 HG22 ILE 73 4.829 15.799 -1.102 592 3HG2 ILE 73 HG23 ILE 73 4.094 14.279 -0.592 593 1HD1 ILE 73 HD11 ILE 73 4.790 10.781 -1.368 594 2HD1 ILE 73 HD12 ILE 73 4.237 12.228 -0.526 595 3HD1 ILE 73 HD13 ILE 73 5.897 11.674 -0.328 596 H ILE 74 HN ILE 74 8.014 15.696 -1.147 597 HA ILE 74 HA ILE 74 6.744 18.231 -0.913 598 HB ILE 74 HB ILE 74 9.213 18.486 0.352 599 1HG1 ILE 74 HG12 ILE 74 8.073 15.705 0.715 600 2HG1 ILE 74 HG11 ILE 74 9.649 16.101 0.041 601 1HG2 ILE 74 HG21 ILE 74 7.775 18.177 2.379 602 2HG2 ILE 74 HG22 ILE 74 6.447 17.747 1.288 603 3HG2 ILE 74 HG23 ILE 74 7.197 19.356 1.201 604 1HD1 ILE 74 HD11 ILE 74 10.351 16.991 2.200 605 2HD1 ILE 74 HD12 ILE 74 9.831 15.310 2.329 606 3HD1 ILE 74 HD13 ILE 74 8.768 16.607 2.874 607 H SER 75 HN SER 75 9.547 17.120 -2.696 608 HA SER 75 HA SER 75 10.643 19.686 -3.186 609 1HB SER 75 HB2 SER 75 11.746 18.520 -5.165 610 2HB SER 75 HB1 SER 75 12.080 17.839 -3.574 611 HG SER 75 HG SER 75 10.836 16.131 -4.015 612 H ASN 76 HN ASN 76 8.137 17.789 -4.768 613 HA ASN 76 HA ASN 76 7.774 19.822 -6.814 614 1HB ASN 76 HB2 ASN 76 6.403 17.211 -6.217 615 2HB ASN 76 HB1 ASN 76 5.722 18.354 -7.372 616 1HD2 ASN 76 HD21 ASN 76 8.308 16.140 -6.704 617 2HD2 ASN 76 HD22 ASN 76 8.968 16.114 -8.308 618 H LEU 77 HN LEU 77 6.626 19.145 -3.667 619 HA LEU 77 HA LEU 77 4.175 20.598 -3.801 620 1HB LEU 77 HB2 LEU 77 4.618 18.970 -2.022 621 2HB LEU 77 HB1 LEU 77 5.959 19.941 -1.450 622 HG LEU 77 HG LEU 77 4.329 21.762 -0.915 623 1HD1 LEU 77 HD11 LEU 77 2.296 19.618 -1.515 624 2HD1 LEU 77 HD12 LEU 77 2.543 21.104 -2.432 625 3HD1 LEU 77 HD13 LEU 77 1.960 21.181 -0.769 626 1HD2 LEU 77 HD21 LEU 77 3.496 20.695 1.113 627 2HD2 LEU 77 HD22 LEU 77 5.169 20.233 0.795 628 3HD2 LEU 77 HD23 LEU 77 3.860 19.107 0.434 629 H GLY 78 HN GLY 78 7.511 21.377 -3.018 630 1HA GLY 78 HA2 GLY 78 8.130 23.697 -3.764 631 2HA GLY 78 HA1 GLY 78 6.744 24.223 -2.821 632 H ARG 79 HN ARG 79 7.665 21.880 -0.947 633 HA ARG 79 HA ARG 79 9.642 23.525 0.476 634 1HB ARG 79 HB2 ARG 79 7.340 23.200 1.540 635 2HB ARG 79 HB1 ARG 79 7.817 21.525 1.792 636 1HG ARG 79 HG2 ARG 79 8.759 22.150 3.694 637 2HG ARG 79 HG1 ARG 79 9.949 23.051 2.751 638 1HD ARG 79 HD2 ARG 79 7.323 24.083 3.816 639 2HD ARG 79 HD1 ARG 79 8.935 24.510 4.387 640 HE ARG 79 HE ARG 79 9.294 25.593 2.210 641 1HH1 ARG 79 HH11 ARG 79 5.998 24.841 3.137 642 2HH1 ARG 79 HH12 ARG 79 5.301 26.128 2.192 643 1HH2 ARG 79 HH21 ARG 79 8.387 27.283 0.964 644 2HH2 ARG 79 HH22 ARG 79 6.667 27.535 0.979 645 H ASN 80 HN ASN 80 11.236 22.464 -0.751 646 HA ASN 80 HA ASN 80 11.825 19.784 -0.911 647 1HB ASN 80 HB2 ASN 80 13.794 22.066 -0.610 648 2HB ASN 80 HB1 ASN 80 14.188 20.454 -1.194 649 1HD2 ASN 80 HD21 ASN 80 14.506 23.012 -2.517 650 2HD2 ASN 80 HD22 ASN 80 13.583 22.918 -3.981 651 HA PRO 81 HA PRO 81 12.710 18.607 3.252 652 1HB PRO 81 HB2 PRO 81 13.906 16.235 2.775 653 2HB PRO 81 HB1 PRO 81 12.175 16.489 2.541 654 1HG PRO 81 HG2 PRO 81 14.369 16.428 0.517 655 2HG PRO 81 HG1 PRO 81 12.735 15.749 0.422 656 1HD PRO 81 HD2 PRO 81 13.472 18.115 -0.738 657 2HD PRO 81 HD1 PRO 81 11.816 17.737 -0.228 658 H SER 82 HN SER 82 14.512 20.538 2.452 659 HA SER 82 HA SER 82 17.213 19.641 2.607 660 1HB SER 82 HB2 SER 82 16.052 22.388 3.140 661 2HB SER 82 HB1 SER 82 17.758 22.024 2.875 662 HG SER 82 HG SER 82 17.125 21.199 0.787 663 H ASP 83 HN ASP 83 15.061 21.241 4.959 664 HA ASP 83 HA ASP 83 16.875 20.403 7.103 665 1HB ASP 83 HB2 ASP 83 15.622 21.957 8.532 666 2HB ASP 83 HB1 ASP 83 16.250 22.766 7.101 667 H PHE 84 HN PHE 84 14.138 19.378 5.534 668 HA PHE 84 HA PHE 84 13.042 17.956 7.826 669 1HB PHE 84 HB2 PHE 84 12.239 17.931 4.905 670 2HB PHE 84 HB1 PHE 84 11.412 17.041 6.180 671 HD1 PHE 84 HD1 PHE 84 10.317 18.325 8.037 672 HD2 PHE 84 HD2 PHE 84 11.758 20.185 4.491 673 HE1 PHE 84 HE1 PHE 84 8.909 20.289 8.500 674 HE2 PHE 84 HE2 PHE 84 10.353 22.150 4.947 675 HZ PHE 84 HZ PHE 84 8.927 22.205 6.953 676 H LYS 85 HN LYS 85 14.101 16.238 8.467 677 HA LYS 85 HA LYS 85 15.202 14.348 6.524 678 1HB LYS 85 HB2 LYS 85 16.973 15.985 6.944 679 2HB LYS 85 HB1 LYS 85 16.804 15.747 8.673 680 1HG LYS 85 HG2 LYS 85 17.571 13.428 8.410 681 2HG LYS 85 HG1 LYS 85 17.790 13.719 6.680 682 1HD LYS 85 HD2 LYS 85 19.407 15.454 7.139 683 2HD LYS 85 HD1 LYS 85 19.134 15.292 8.873 684 1HE LYS 85 HE2 LYS 85 19.962 12.953 8.720 685 2HE LYS 85 HE1 LYS 85 20.358 13.250 7.026 686 1HZ LYS 85 HZ1 LYS 85 21.459 14.730 9.352 687 2HZ LYS 85 HZ2 LYS 85 21.834 15.036 7.726 688 3HZ LYS 85 HZ3 LYS 85 22.292 13.567 8.436 689 H ASN 86 HN ASN 86 14.587 15.227 9.872 690 HA ASN 86 HA ASN 86 14.892 12.648 10.992 691 1HB ASN 86 HB2 ASN 86 14.985 14.632 12.380 692 2HB ASN 86 HB1 ASN 86 13.345 15.074 11.922 693 1HD2 ASN 86 HD21 ASN 86 12.615 15.102 14.005 694 2HD2 ASN 86 HD22 ASN 86 12.363 13.655 14.924 695 H ALA 87 HN ALA 87 13.432 11.055 11.412 696 HA ALA 87 HA ALA 87 11.519 10.484 9.511 697 1HB ALA 87 HB1 ALA 87 12.587 8.815 10.943 698 2HB ALA 87 HB2 ALA 87 10.831 8.647 10.938 699 3HB ALA 87 HB3 ALA 87 11.642 9.394 12.316 700 H ASP 88 HN ASP 88 10.879 11.661 12.848 701 HA ASP 88 HA ASP 88 8.060 11.612 12.361 702 1HB ASP 88 HB2 ASP 88 7.785 12.545 14.591 703 2HB ASP 88 HB1 ASP 88 8.908 11.196 14.613 704 H GLU 89 HN GLU 89 10.532 14.042 12.038 705 HA GLU 89 HA GLU 89 8.772 16.275 11.831 706 1HB GLU 89 HB2 GLU 89 11.571 15.794 10.808 707 2HB GLU 89 HB1 GLU 89 10.718 17.313 10.564 708 1HG GLU 89 HG2 GLU 89 11.258 16.098 13.260 709 2HG GLU 89 HG1 GLU 89 12.290 17.300 12.487 710 H ARG 90 HN ARG 90 10.165 14.015 9.545 711 HA ARG 90 HA ARG 90 9.178 14.947 7.131 712 1HB ARG 90 HB2 ARG 90 10.718 13.082 7.298 713 2HB ARG 90 HB1 ARG 90 9.533 12.129 8.175 714 1HG ARG 90 HG2 ARG 90 8.187 12.654 5.884 715 2HG ARG 90 HG1 ARG 90 9.851 12.564 5.302 716 1HD ARG 90 HD2 ARG 90 8.352 10.475 6.876 717 2HD ARG 90 HD1 ARG 90 8.868 10.370 5.195 718 HE ARG 90 HE ARG 90 11.214 10.685 6.458 719 1HH1 ARG 90 HH11 ARG 90 8.507 8.553 7.176 720 2HH1 ARG 90 HH12 ARG 90 9.513 7.304 7.831 721 1HH2 ARG 90 HH21 ARG 90 12.521 9.034 7.333 722 2HH2 ARG 90 HH22 ARG 90 11.789 7.564 7.919 723 H ILE 91 HN ILE 91 7.687 12.634 9.360 724 HA ILE 91 HA ILE 91 5.246 12.326 8.008 725 HB ILE 91 HB ILE 91 5.873 11.986 10.949 726 1HG1 ILE 91 HG12 ILE 91 5.607 9.793 8.916 727 2HG1 ILE 91 HG11 ILE 91 7.140 10.643 9.112 728 1HG2 ILE 91 HG21 ILE 91 3.561 10.907 9.335 729 2HG2 ILE 91 HG22 ILE 91 3.467 12.180 10.554 730 3HG2 ILE 91 HG23 ILE 91 3.907 10.539 11.026 731 1HD1 ILE 91 HD11 ILE 91 7.199 9.980 11.456 732 2HD1 ILE 91 HD12 ILE 91 7.094 8.581 10.388 733 3HD1 ILE 91 HD13 ILE 91 5.663 9.137 11.257 734 H ALA 92 HN ALA 92 6.248 14.515 10.598 735 HA ALA 92 HA ALA 92 3.796 15.620 11.261 736 1HB ALA 92 HB1 ALA 92 6.466 17.021 11.227 737 2HB ALA 92 HB2 ALA 92 5.856 16.000 12.529 738 3HB ALA 92 HB3 ALA 92 5.039 17.513 12.140 739 H TYR 93 HN TYR 93 6.091 16.719 8.744 740 HA TYR 93 HA TYR 93 4.554 18.989 8.050 741 1HB TYR 93 HB2 TYR 93 7.001 18.598 7.449 742 2HB TYR 93 HB1 TYR 93 6.415 17.569 6.144 743 HD1 TYR 93 HD1 TYR 93 6.028 20.996 7.534 744 HD2 TYR 93 HD2 TYR 93 5.911 18.544 4.048 745 HE1 TYR 93 HE1 TYR 93 5.706 22.995 6.146 746 HE2 TYR 93 HE2 TYR 93 5.585 20.543 2.654 747 HH TYR 93 HH TYR 93 4.706 22.873 2.928 748 H ILE 94 HN ILE 94 4.752 15.734 6.609 749 HA ILE 94 HA ILE 94 2.952 16.358 4.496 750 HB ILE 94 HB ILE 94 3.702 13.645 5.600 751 1HG1 ILE 94 HG12 ILE 94 4.767 15.223 3.244 752 2HG1 ILE 94 HG11 ILE 94 5.609 14.987 4.769 753 1HG2 ILE 94 HG21 ILE 94 1.624 13.546 4.322 754 2HG2 ILE 94 HG22 ILE 94 2.940 12.783 3.427 755 3HG2 ILE 94 HG23 ILE 94 2.395 14.402 2.986 756 1HD1 ILE 94 HD11 ILE 94 4.876 12.818 2.805 757 2HD1 ILE 94 HD12 ILE 94 5.730 12.581 4.329 758 3HD1 ILE 94 HD13 ILE 94 6.480 13.512 3.033 759 H LEU 95 HN LEU 95 2.446 15.046 7.750 760 HA LEU 95 HA LEU 95 -0.284 14.391 7.388 761 1HB LEU 95 HB2 LEU 95 1.300 15.091 9.849 762 2HB LEU 95 HB1 LEU 95 -0.408 14.708 9.916 763 HG LEU 95 HG LEU 95 1.829 12.876 9.054 764 1HD1 LEU 95 HD11 LEU 95 1.122 11.558 10.979 765 2HD1 LEU 95 HD12 LEU 95 -0.113 12.759 11.358 766 3HD1 LEU 95 HD13 LEU 95 1.595 13.185 11.467 767 1HD2 LEU 95 HD21 LEU 95 -0.131 12.524 7.639 768 2HD2 LEU 95 HD22 LEU 95 -1.146 12.375 9.073 769 3HD2 LEU 95 HD23 LEU 95 0.103 11.174 8.749 770 H LYS 96 HN LYS 96 1.341 17.377 8.357 771 HA LYS 96 HA LYS 96 -1.045 18.770 8.996 772 1HB LYS 96 HB2 LYS 96 1.716 19.757 8.298 773 2HB LYS 96 HB1 LYS 96 0.395 20.832 8.740 774 1HG LYS 96 HG2 LYS 96 0.201 19.551 10.887 775 2HG LYS 96 HG1 LYS 96 1.694 18.721 10.441 776 1HD LYS 96 HD2 LYS 96 2.846 20.885 10.325 777 2HD LYS 96 HD1 LYS 96 1.353 21.699 10.795 778 1HE LYS 96 HE2 LYS 96 2.935 19.726 12.435 779 2HE LYS 96 HE1 LYS 96 2.789 21.459 12.721 780 1HZ LYS 96 HZ1 LYS 96 1.334 20.328 14.200 781 2HZ LYS 96 HZ2 LYS 96 0.646 19.416 12.952 782 3HZ LYS 96 HZ3 LYS 96 0.365 21.086 13.038 783 H GLN 97 HN GLN 97 0.389 17.916 6.009 784 HA GLN 97 HA GLN 97 -0.800 19.999 4.444 785 1HB GLN 97 HB2 GLN 97 0.086 17.238 3.573 786 2HB GLN 97 HB1 GLN 97 -0.306 18.573 2.504 787 1HG GLN 97 HG2 GLN 97 2.078 18.206 4.266 788 2HG GLN 97 HG1 GLN 97 2.007 18.535 2.536 789 1HE2 GLN 97 HE21 GLN 97 2.208 19.821 5.653 790 2HE2 GLN 97 HE22 GLN 97 2.187 21.502 5.226 791 H ILE 98 HN ILE 98 -1.819 17.046 5.836 792 HA ILE 98 HA ILE 98 -4.175 16.762 4.169 793 HB ILE 98 HB ILE 98 -3.408 15.237 6.665 794 1HG1 ILE 98 HG12 ILE 98 -2.963 14.450 3.777 795 2HG1 ILE 98 HG11 ILE 98 -1.710 15.118 4.819 796 1HG2 ILE 98 HG21 ILE 98 -4.940 13.526 5.791 797 2HG2 ILE 98 HG22 ILE 98 -5.364 14.600 4.458 798 3HG2 ILE 98 HG23 ILE 98 -5.766 15.051 6.114 799 1HD1 ILE 98 HD11 ILE 98 -1.569 12.690 4.648 800 2HD1 ILE 98 HD12 ILE 98 -3.200 12.549 5.303 801 3HD1 ILE 98 HD13 ILE 98 -1.904 13.208 6.301 802 H ASP 99 HN ASP 99 -3.400 17.498 7.558 803 HA ASP 99 HA ASP 99 -6.073 17.922 8.370 804 1HB ASP 99 HB2 ASP 99 -3.405 18.539 9.554 805 2HB ASP 99 HB1 ASP 99 -4.822 19.338 10.226 806 H ASN 100 HN ASN 100 -3.527 20.207 7.369 807 HA ASN 100 HA ASN 100 -5.429 22.401 7.514 808 1HB ASN 100 HB2 ASN 100 -3.107 22.816 8.217 809 2HB ASN 100 HB1 ASN 100 -2.539 22.388 6.605 810 1HD2 ASN 100 HD21 ASN 100 -1.633 24.365 6.179 811 2HD2 ASN 100 HD22 ASN 100 -2.567 25.802 5.919 812 H LYS 101 HN LYS 101 -6.932 21.942 5.951 813 HA LYS 101 HA LYS 101 -6.053 22.440 3.223 814 1HB LYS 101 HB2 LYS 101 -6.034 19.933 3.653 815 2HB LYS 101 HB1 LYS 101 -7.780 20.039 3.819 816 1HG LYS 101 HG2 LYS 101 -7.025 19.303 1.578 817 2HG LYS 101 HG1 LYS 101 -8.017 20.762 1.548 818 1HD LYS 101 HD2 LYS 101 -6.067 20.910 0.040 819 2HD LYS 101 HD1 LYS 101 -6.041 22.143 1.301 820 1HE LYS 101 HE2 LYS 101 -4.489 20.717 2.602 821 2HE LYS 101 HE1 LYS 101 -4.462 19.573 1.261 822 1HZ LYS 101 HZ1 LYS 101 -3.630 22.418 1.059 823 2HZ LYS 101 HZ2 LYS 101 -3.495 21.232 -0.149 824 3HZ LYS 101 HZ3 LYS 101 -2.562 21.114 1.263 825 H GLY 102 HN GLY 102 -8.317 22.707 5.719 826 1HA GLY 102 HA2 GLY 102 -9.807 24.648 5.405 827 2HA GLY 102 HA1 GLY 102 -10.206 23.972 3.833 828 H GLU 103 HN GLU 103 -10.332 23.204 7.303 829 HA GLU 103 HA GLU 103 -12.554 21.422 6.985 830 1HB GLU 103 HB2 GLU 103 -11.469 22.803 9.450 831 2HB GLU 103 HB1 GLU 103 -12.709 21.558 9.464 832 1HG GLU 103 HG2 GLU 103 -11.128 19.956 8.535 833 2HG GLU 103 HG1 GLU 103 -9.884 21.205 8.483 834 H LEU 104 HN LEU 104 -14.245 22.413 5.976 835 HA LEU 104 HA LEU 104 -15.239 24.911 7.171 836 1HB LEU 104 HB2 LEU 104 -14.343 25.209 4.905 837 2HB LEU 104 HB1 LEU 104 -15.453 23.991 4.306 838 HG LEU 104 HG LEU 104 -17.354 25.444 4.957 839 1HD1 LEU 104 HD11 LEU 104 -16.937 27.775 5.538 840 2HD1 LEU 104 HD12 LEU 104 -15.201 27.468 5.557 841 3HD1 LEU 104 HD13 LEU 104 -16.246 26.689 6.745 842 1HD2 LEU 104 HD21 LEU 104 -15.336 26.736 3.126 843 2HD2 LEU 104 HD22 LEU 104 -17.068 27.066 3.157 844 3HD2 LEU 104 HD23 LEU 104 -16.482 25.474 2.675 845 H GLU 105 HN GLU 105 -16.869 24.360 8.440 846 HA GLU 105 HA GLU 105 -19.112 22.880 7.207 847 1HB GLU 105 HB2 GLU 105 -18.566 22.980 10.168 848 2HB GLU 105 HB1 GLU 105 -19.713 21.962 9.321 849 1HG GLU 105 HG2 GLU 105 -17.925 20.641 8.402 850 2HG GLU 105 HG1 GLU 105 -16.724 21.717 9.125 851 H HIS 106 HN HIS 106 -17.966 25.528 9.164 852 HA HIS 106 HA HIS 106 -20.736 26.315 9.782 853 1HB HIS 106 HB2 HIS 106 -18.293 27.140 11.352 854 2HB HIS 106 HB1 HIS 106 -19.980 27.214 11.849 855 HD1 HIS 106 HD1 HIS 106 -21.097 24.930 12.561 856 HD2 HIS 106 HD2 HIS 106 -17.021 24.721 11.778 857 HE1 HIS 106 HE1 HIS 106 -20.341 22.719 13.485 858 HE2 HIS 106 HE2 HIS 106 -17.948 22.502 12.723 859 H HIS 107 HN HIS 107 -21.429 28.041 8.745 860 HA HIS 107 HA HIS 107 -19.596 29.962 7.607 861 1HB HIS 107 HB2 HIS 107 -21.641 31.124 6.821 862 2HB HIS 107 HB1 HIS 107 -21.605 29.431 6.350 863 HD1 HIS 107 HD1 HIS 107 -23.568 28.033 6.984 864 HD2 HIS 107 HD2 HIS 107 -23.497 31.672 9.001 865 HE1 HIS 107 HE1 HIS 107 -25.769 28.183 8.195 866 HE2 HIS 107 HE2 HIS 107 -25.775 30.466 9.264 867 H HIS 108 HN HIS 108 -20.156 32.385 8.006 868 HA HIS 108 HA HIS 108 -19.733 32.719 10.863 869 1HB HIS 108 HB2 HIS 108 -19.572 34.701 8.584 870 2HB HIS 108 HB1 HIS 108 -19.203 35.083 10.262 871 HD1 HIS 108 HD1 HIS 108 -17.043 35.438 8.132 872 HD2 HIS 108 HD2 HIS 108 -17.550 31.947 10.343 873 HE1 HIS 108 HE1 HIS 108 -14.815 34.266 8.076 874 HE2 HIS 108 HE2 HIS 108 -15.132 32.164 9.440 875 H HIS 109 HN HIS 109 -21.921 34.106 8.415 876 HA HIS 109 HA HIS 109 -24.095 34.081 10.302 877 1HB HIS 109 HB2 HIS 109 -22.887 36.210 10.870 878 2HB HIS 109 HB1 HIS 109 -23.196 36.770 9.231 879 HD1 HIS 109 HD1 HIS 109 -24.800 36.307 12.544 880 HD2 HIS 109 HD2 HIS 109 -25.900 37.460 8.704 881 HE1 HIS 109 HE1 HIS 109 -27.083 37.350 12.773 882 HE2 HIS 109 HE2 HIS 109 -27.768 37.961 10.419 883 H HIS 110 HN HIS 110 -23.714 36.343 7.627 884 HA HIS 110 HA HIS 110 -25.739 34.891 6.110 885 1HB HIS 110 HB2 HIS 110 -25.905 37.356 6.292 886 2HB HIS 110 HB1 HIS 110 -24.338 37.514 5.513 887 HD1 HIS 110 HD1 HIS 110 -27.895 36.453 4.764 888 HD2 HIS 110 HD2 HIS 110 -24.393 37.494 2.770 889 HE1 HIS 110 HE1 HIS 110 -28.529 36.672 2.339 890 HE2 HIS 110 HE2 HIS 110 -26.445 37.510 1.201 891 H HIS 111 HN HIS 111 -22.380 35.886 5.959 892 HA HIS 111 HA HIS 111 -21.868 33.523 4.299 893 1HB HIS 111 HB2 HIS 111 -20.670 36.276 4.039 894 2HB HIS 111 HB1 HIS 111 -19.786 34.853 3.504 895 HD1 HIS 111 HD1 HIS 111 -20.774 33.544 1.468 896 HD2 HIS 111 HD2 HIS 111 -22.685 37.130 2.351 897 HE1 HIS 111 HE1 HIS 111 -22.162 34.091 -0.558 898 HE2 HIS 111 HE2 HIS 111 -23.203 36.335 -0.058 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -4.113 -1.766 0.591 2 2H MET 1 HT2 MET 1 -5.468 -2.446 -0.171 3 3H MET 1 HT3 MET 1 -4.895 -3.100 1.278 4 HA MET 1 HA MET 1 -5.511 -1.174 2.507 5 1HB MET 1 HB2 MET 1 -5.049 0.480 0.737 6 2HB MET 1 HB1 MET 1 -6.439 -0.099 -0.171 7 1HG MET 1 HG2 MET 1 -7.919 0.636 1.638 8 2HG MET 1 HG1 MET 1 -6.520 1.226 2.531 9 1HE MET 1 HE1 MET 1 -7.094 1.406 -1.353 10 2HE MET 1 HE2 MET 1 -7.862 2.985 -1.526 11 3HE MET 1 HE3 MET 1 -8.715 1.670 -0.715 12 H PHE 2 HN PHE 2 -7.575 -1.114 3.466 13 HA PHE 2 HA PHE 2 -9.539 -2.898 2.195 14 1HB PHE 2 HB2 PHE 2 -9.180 -2.140 5.101 15 2HB PHE 2 HB1 PHE 2 -10.501 -3.130 4.489 16 HD1 PHE 2 HD1 PHE 2 -9.344 -4.992 2.702 17 HD2 PHE 2 HD2 PHE 2 -7.710 -3.419 6.301 18 HE1 PHE 2 HE1 PHE 2 -7.960 -7.009 2.949 19 HE2 PHE 2 HE2 PHE 2 -6.320 -5.433 6.554 20 HZ PHE 2 HZ PHE 2 -6.444 -7.231 4.877 21 H THR 3 HN THR 3 -11.468 -2.135 1.597 22 HA THR 3 HA THR 3 -12.349 0.473 2.623 23 HB THR 3 HB THR 3 -12.428 -0.228 -0.316 24 HG1 THR 3 HG1 THR 3 -10.401 0.821 1.248 25 1HG2 THR 3 HG21 THR 3 -14.100 1.398 0.418 26 2HG2 THR 3 HG22 THR 3 -12.879 2.162 -0.601 27 3HG2 THR 3 HG23 THR 3 -12.831 2.380 1.149 28 H ALA 4 HN ALA 4 -14.451 0.427 3.189 29 HA ALA 4 HA ALA 4 -16.068 -1.837 2.217 30 1HB ALA 4 HB1 ALA 4 -15.689 -1.830 4.638 31 2HB ALA 4 HB2 ALA 4 -17.395 -1.609 4.247 32 3HB ALA 4 HB3 ALA 4 -16.416 -0.229 4.746 33 H LYS 5 HN LYS 5 -18.018 -1.469 1.264 34 HA LYS 5 HA LYS 5 -18.933 1.321 1.101 35 1HB LYS 5 HB2 LYS 5 -17.813 0.800 -0.985 36 2HB LYS 5 HB1 LYS 5 -18.742 -0.680 -1.155 37 1HG LYS 5 HG2 LYS 5 -20.755 0.543 -1.548 38 2HG LYS 5 HG1 LYS 5 -19.967 2.070 -1.142 39 1HD LYS 5 HD2 LYS 5 -20.208 1.768 -3.573 40 2HD LYS 5 HD1 LYS 5 -18.516 1.862 -3.081 41 1HE LYS 5 HE2 LYS 5 -18.480 -0.642 -3.077 42 2HE LYS 5 HE1 LYS 5 -20.085 -0.605 -3.801 43 1HZ LYS 5 HZ1 LYS 5 -18.514 -0.845 -5.540 44 2HZ LYS 5 HZ2 LYS 5 -17.560 0.425 -4.959 45 3HZ LYS 5 HZ3 LYS 5 -19.085 0.753 -5.629 46 H LEU 6 HN LEU 6 -20.858 1.463 1.998 47 HA LEU 6 HA LEU 6 -22.579 -0.730 2.501 48 1HB LEU 6 HB2 LEU 6 -22.467 1.462 3.766 49 2HB LEU 6 HB1 LEU 6 -23.303 2.207 2.425 50 HG LEU 6 HG LEU 6 -24.714 1.649 4.441 51 1HD1 LEU 6 HD11 LEU 6 -25.742 2.099 2.294 52 2HD1 LEU 6 HD12 LEU 6 -26.618 0.829 3.150 53 3HD1 LEU 6 HD13 LEU 6 -25.534 0.412 1.823 54 1HD2 LEU 6 HD21 LEU 6 -25.472 -0.655 4.699 55 2HD2 LEU 6 HD22 LEU 6 -23.737 -0.507 4.984 56 3HD2 LEU 6 HD23 LEU 6 -24.328 -1.172 3.460 57 H ILE 7 HN ILE 7 -23.980 -1.715 1.154 58 HA ILE 7 HA ILE 7 -24.699 -0.275 -1.317 59 HB ILE 7 HB ILE 7 -24.805 -2.366 -2.515 60 1HG1 ILE 7 HG12 ILE 7 -23.750 -3.837 -0.107 61 2HG1 ILE 7 HG11 ILE 7 -25.482 -3.681 -0.381 62 1HG2 ILE 7 HG21 ILE 7 -22.628 -1.205 -2.282 63 2HG2 ILE 7 HG22 ILE 7 -22.471 -2.940 -2.551 64 3HG2 ILE 7 HG23 ILE 7 -22.242 -2.277 -0.933 65 1HD1 ILE 7 HD11 ILE 7 -23.552 -4.892 -2.344 66 2HD1 ILE 7 HD12 ILE 7 -25.308 -4.856 -2.464 67 3HD1 ILE 7 HD13 ILE 7 -24.531 -5.806 -1.199 68 H LYS 8 HN LYS 8 -25.824 -2.438 1.216 69 HA LYS 8 HA LYS 8 -28.547 -2.270 0.154 70 1HB LYS 8 HB2 LYS 8 -27.329 -4.098 2.234 71 2HB LYS 8 HB1 LYS 8 -29.028 -4.112 1.771 72 1HG LYS 8 HG2 LYS 8 -28.511 -4.820 -0.434 73 2HG LYS 8 HG1 LYS 8 -26.788 -4.543 -0.187 74 1HD LYS 8 HD2 LYS 8 -27.272 -6.915 -0.089 75 2HD LYS 8 HD1 LYS 8 -26.762 -6.339 1.497 76 1HE LYS 8 HE2 LYS 8 -29.048 -6.291 2.260 77 2HE LYS 8 HE1 LYS 8 -29.629 -6.724 0.652 78 1HZ LYS 8 HZ1 LYS 8 -28.501 -8.848 0.849 79 2HZ LYS 8 HZ2 LYS 8 -29.589 -8.633 2.131 80 3HZ LYS 8 HZ3 LYS 8 -27.927 -8.436 2.388 81 H GLY 9 HN GLY 9 -29.093 -0.227 0.791 82 1HA GLY 9 HA2 GLY 9 -30.508 0.343 2.933 83 2HA GLY 9 HA1 GLY 9 -28.892 0.479 3.614 84 H LYS 10 HN LYS 10 -28.609 2.593 3.911 85 HA LYS 10 HA LYS 10 -28.574 4.392 1.665 86 1HB LYS 10 HB2 LYS 10 -30.529 4.747 3.943 87 2HB LYS 10 HB1 LYS 10 -30.004 6.081 2.930 88 1HG LYS 10 HG2 LYS 10 -30.965 5.007 0.977 89 2HG LYS 10 HG1 LYS 10 -31.441 3.618 1.959 90 1HD LYS 10 HD2 LYS 10 -33.320 5.148 1.592 91 2HD LYS 10 HD1 LYS 10 -32.891 5.045 3.302 92 1HE LYS 10 HE2 LYS 10 -31.483 7.121 2.921 93 2HE LYS 10 HE1 LYS 10 -32.296 7.266 1.362 94 1HZ LYS 10 HZ1 LYS 10 -33.671 7.179 3.991 95 2HZ LYS 10 HZ2 LYS 10 -34.403 7.431 2.482 96 3HZ LYS 10 HZ3 LYS 10 -33.345 8.594 3.116 97 H THR 11 HN THR 11 -28.704 4.334 5.219 98 HA THR 11 HA THR 11 -25.964 5.300 5.346 99 HB THR 11 HB THR 11 -28.202 6.784 6.745 100 HG1 THR 11 HG1 THR 11 -27.136 7.026 4.247 101 1HG2 THR 11 HG21 THR 11 -26.095 6.800 7.987 102 2HG2 THR 11 HG22 THR 11 -26.436 8.395 7.314 103 3HG2 THR 11 HG23 THR 11 -25.242 7.350 6.544 104 H TYR 12 HN TYR 12 -24.900 4.408 7.027 105 HA TYR 12 HA TYR 12 -26.415 3.269 9.250 106 1HB TYR 12 HB2 TYR 12 -26.225 1.509 7.482 107 2HB TYR 12 HB1 TYR 12 -24.475 1.636 7.595 108 HD1 TYR 12 HD2 TYR 12 -27.514 0.742 9.533 109 HD2 TYR 12 HD1 TYR 12 -23.286 0.420 9.215 110 HE1 TYR 12 HE2 TYR 12 -27.513 -0.952 11.315 111 HE2 TYR 12 HE1 TYR 12 -23.271 -1.273 10.992 112 HH TYR 12 HH TYR 12 -26.166 -2.733 12.162 113 H ASN 13 HN ASN 13 -25.431 3.767 11.087 114 HA ASN 13 HA ASN 13 -22.761 4.893 11.032 115 1HB ASN 13 HB2 ASN 13 -24.803 4.595 13.242 116 2HB ASN 13 HB1 ASN 13 -23.209 5.293 13.493 117 1HD2 ASN 13 HD21 ASN 13 -24.106 7.242 14.132 118 2HD2 ASN 13 HD22 ASN 13 -24.817 8.350 13.009 119 H VAL 14 HN VAL 14 -21.012 3.663 11.242 120 HA VAL 14 HA VAL 14 -21.182 1.272 12.968 121 HB VAL 14 HB VAL 14 -19.280 1.780 10.670 122 1HG1 VAL 14 HG11 VAL 14 -19.573 -0.642 12.443 123 2HG1 VAL 14 HG12 VAL 14 -18.224 0.492 12.455 124 3HG1 VAL 14 HG13 VAL 14 -18.515 -0.513 11.036 125 1HG2 VAL 14 HG21 VAL 14 -21.571 -0.156 10.931 126 2HG2 VAL 14 HG22 VAL 14 -20.441 -0.083 9.581 127 3HG2 VAL 14 HG23 VAL 14 -21.524 1.272 9.899 128 H MET 15 HN MET 15 -20.419 1.810 14.901 129 HA MET 15 HA MET 15 -19.130 2.617 16.570 130 1HB MET 15 HB2 MET 15 -17.084 2.247 14.412 131 2HB MET 15 HB1 MET 15 -16.628 3.010 15.927 132 1HG MET 15 HG2 MET 15 -16.103 0.656 15.970 133 2HG MET 15 HG1 MET 15 -17.355 1.029 17.149 134 1HE MET 15 HE1 MET 15 -17.795 -1.612 17.339 135 2HE MET 15 HE2 MET 15 -16.575 -1.918 16.101 136 3HE MET 15 HE3 MET 15 -18.180 -2.634 15.954 137 H GLY 16 HN GLY 16 -17.175 4.377 14.257 138 1HA GLY 16 HA2 GLY 16 -18.564 6.859 15.052 139 2HA GLY 16 HA1 GLY 16 -16.807 6.751 15.050 140 H ILE 17 HN ILE 17 -18.079 4.914 12.577 141 HA ILE 17 HA ILE 17 -17.473 7.045 10.640 142 HB ILE 17 HB ILE 17 -17.323 4.045 10.232 143 1HG1 ILE 17 HG12 ILE 17 -14.826 4.626 9.888 144 2HG1 ILE 17 HG11 ILE 17 -15.194 6.117 10.747 145 1HG2 ILE 17 HG21 ILE 17 -16.282 4.598 8.085 146 2HG2 ILE 17 HG22 ILE 17 -16.559 6.311 8.399 147 3HG2 ILE 17 HG23 ILE 17 -17.929 5.219 8.197 148 1HD1 ILE 17 HD11 ILE 17 -14.245 4.452 12.230 149 2HD1 ILE 17 HD12 ILE 17 -15.539 3.326 11.818 150 3HD1 ILE 17 HD13 ILE 17 -15.910 4.817 12.684 151 H THR 18 HN THR 18 -19.040 7.678 9.275 152 HA THR 18 HA THR 18 -21.615 6.296 9.454 153 HB THR 18 HB THR 18 -20.996 9.030 8.316 154 HG1 THR 18 HG1 THR 18 -20.676 9.123 10.515 155 1HG2 THR 18 HG21 THR 18 -23.416 9.381 8.447 156 2HG2 THR 18 HG22 THR 18 -23.630 7.728 9.019 157 3HG2 THR 18 HG23 THR 18 -23.032 8.024 7.388 158 H PHE 19 HN PHE 19 -21.779 4.732 7.979 159 HA PHE 19 HA PHE 19 -20.625 5.036 5.330 160 1HB PHE 19 HB2 PHE 19 -22.101 2.767 6.672 161 2HB PHE 19 HB1 PHE 19 -21.571 2.714 4.995 162 HD1 PHE 19 HD2 PHE 19 -20.417 2.909 8.491 163 HD2 PHE 19 HD1 PHE 19 -19.334 2.247 4.431 164 HE1 PHE 19 HE2 PHE 19 -18.213 2.094 9.215 165 HE2 PHE 19 HE1 PHE 19 -17.129 1.431 5.148 166 HZ PHE 19 HZ PHE 19 -16.567 1.356 7.543 167 H ARG 20 HN ARG 20 -21.770 5.170 3.439 168 HA ARG 20 HA ARG 20 -24.686 5.348 3.634 169 1HB ARG 20 HB2 ARG 20 -22.848 7.383 2.379 170 2HB ARG 20 HB1 ARG 20 -24.551 7.266 1.956 171 1HG ARG 20 HG2 ARG 20 -25.157 7.664 4.292 172 2HG ARG 20 HG1 ARG 20 -23.447 7.796 4.707 173 1HD ARG 20 HD2 ARG 20 -24.810 9.564 2.688 174 2HD ARG 20 HD1 ARG 20 -24.669 9.972 4.398 175 HE ARG 20 HE ARG 20 -22.325 9.534 2.656 176 1HH1 ARG 20 HH11 ARG 20 -24.016 11.301 5.162 177 2HH1 ARG 20 HH12 ARG 20 -22.729 12.442 5.397 178 1HH2 ARG 20 HH21 ARG 20 -20.622 11.038 2.967 179 2HH2 ARG 20 HH22 ARG 20 -20.812 12.308 4.152 180 H ALA 21 HN ALA 21 -25.813 4.632 1.871 181 HA ALA 21 HA ALA 21 -24.794 2.604 0.323 182 1HB ALA 21 HB1 ALA 21 -27.063 4.435 -0.440 183 2HB ALA 21 HB2 ALA 21 -27.184 3.043 0.634 184 3HB ALA 21 HB3 ALA 21 -26.772 2.812 -1.065 185 H GLY 22 HN GLY 22 -23.295 2.547 -1.173 186 1HA GLY 22 HA2 GLY 22 -22.598 2.967 -3.397 187 2HA GLY 22 HA1 GLY 22 -23.355 4.549 -3.313 188 H VAL 23 HN VAL 23 -21.741 4.326 -0.486 189 HA VAL 23 HA VAL 23 -19.451 5.758 -1.651 190 HB VAL 23 HB VAL 23 -20.550 5.938 1.158 191 1HG1 VAL 23 HG11 VAL 23 -18.405 7.545 -0.227 192 2HG1 VAL 23 HG12 VAL 23 -18.165 6.391 1.084 193 3HG1 VAL 23 HG13 VAL 23 -19.062 7.881 1.375 194 1HG2 VAL 23 HG21 VAL 23 -21.341 8.161 0.498 195 2HG2 VAL 23 HG22 VAL 23 -22.089 6.893 -0.475 196 3HG2 VAL 23 HG23 VAL 23 -20.783 7.868 -1.149 197 H SER 24 HN SER 24 -17.700 4.515 -1.804 198 HA SER 24 HA SER 24 -17.022 2.488 0.115 199 1HB SER 24 HB2 SER 24 -15.319 3.769 -2.042 200 2HB SER 24 HB1 SER 24 -14.933 2.292 -1.159 201 HG SER 24 HG SER 24 -16.283 2.502 -3.392 202 H GLN 25 HN GLN 25 -15.804 2.712 1.924 203 HA GLN 25 HA GLN 25 -14.398 5.269 2.331 204 1HB GLN 25 HB2 GLN 25 -16.189 3.846 4.305 205 2HB GLN 25 HB1 GLN 25 -15.121 5.176 4.729 206 1HG GLN 25 HG2 GLN 25 -16.326 6.673 3.290 207 2HG GLN 25 HG1 GLN 25 -17.325 5.352 2.688 208 1HE2 GLN 25 HE21 GLN 25 -18.096 7.841 4.022 209 2HE2 GLN 25 HE22 GLN 25 -19.015 7.356 5.407 210 H THR 26 HN THR 26 -12.452 5.162 3.338 211 HA THR 26 HA THR 26 -11.129 2.631 3.376 212 HB THR 26 HB THR 26 -10.107 5.246 4.500 213 HG1 THR 26 HG1 THR 26 -9.248 4.636 1.988 214 1HG2 THR 26 HG21 THR 26 -8.757 3.289 5.063 215 2HG2 THR 26 HG22 THR 26 -7.907 4.321 3.912 216 3HG2 THR 26 HG23 THR 26 -8.684 2.836 3.361 217 H VAL 27 HN VAL 27 -11.481 1.196 4.947 218 HA VAL 27 HA VAL 27 -11.964 2.191 7.673 219 HB VAL 27 HB VAL 27 -13.136 0.105 8.127 220 1HG1 VAL 27 HG11 VAL 27 -14.100 1.460 5.614 221 2HG1 VAL 27 HG12 VAL 27 -14.432 1.961 7.272 222 3HG1 VAL 27 HG13 VAL 27 -15.080 0.437 6.664 223 1HG2 VAL 27 HG21 VAL 27 -12.581 -0.594 5.240 224 2HG2 VAL 27 HG22 VAL 27 -13.621 -1.503 6.336 225 3HG2 VAL 27 HG23 VAL 27 -11.891 -1.392 6.654 226 HA PRO 28 HA PRO 28 -8.341 0.088 9.172 227 1HB PRO 28 HB2 PRO 28 -9.882 -0.647 11.569 228 2HB PRO 28 HB1 PRO 28 -8.460 0.390 11.427 229 1HG PRO 28 HG2 PRO 28 -10.891 1.392 11.970 230 2HG PRO 28 HG1 PRO 28 -9.712 2.274 10.983 231 1HD PRO 28 HD2 PRO 28 -12.096 0.685 10.116 232 2HD PRO 28 HD1 PRO 28 -11.498 2.242 9.506 233 H LYS 29 HN LYS 29 -7.626 -2.015 9.969 234 HA LYS 29 HA LYS 29 -8.582 -4.094 8.381 235 1HB LYS 29 HB2 LYS 29 -6.882 -4.259 10.877 236 2HB LYS 29 HB1 LYS 29 -7.035 -5.517 9.655 237 1HG LYS 29 HG2 LYS 29 -5.949 -4.178 8.020 238 2HG LYS 29 HG1 LYS 29 -6.014 -2.753 9.058 239 1HD LYS 29 HD2 LYS 29 -4.496 -3.829 10.640 240 2HD LYS 29 HD1 LYS 29 -4.443 -5.268 9.619 241 1HE LYS 29 HE2 LYS 29 -2.477 -3.833 9.298 242 2HE LYS 29 HE1 LYS 29 -3.430 -3.990 7.823 243 1HZ LYS 29 HZ1 LYS 29 -4.409 -1.825 8.263 244 2HZ LYS 29 HZ2 LYS 29 -2.721 -1.707 8.198 245 3HZ LYS 29 HZ3 LYS 29 -3.515 -1.681 9.696 246 H LYS 30 HN LYS 30 -9.168 -3.371 11.788 247 HA LYS 30 HA LYS 30 -10.543 -5.748 12.417 248 1HB LYS 30 HB2 LYS 30 -10.711 -2.995 13.643 249 2HB LYS 30 HB1 LYS 30 -11.475 -4.423 14.329 250 1HG LYS 30 HG2 LYS 30 -9.281 -5.481 14.558 251 2HG LYS 30 HG1 LYS 30 -8.523 -4.035 13.888 252 1HD LYS 30 HD2 LYS 30 -10.215 -4.075 16.382 253 2HD LYS 30 HD1 LYS 30 -8.453 -4.156 16.371 254 1HE LYS 30 HE2 LYS 30 -8.375 -1.987 15.225 255 2HE LYS 30 HE1 LYS 30 -10.136 -1.904 15.277 256 1HZ LYS 30 HZ1 LYS 30 -10.098 -1.771 17.627 257 2HZ LYS 30 HZ2 LYS 30 -8.953 -0.653 17.069 258 3HZ LYS 30 HZ3 LYS 30 -8.446 -2.143 17.703 259 H LEU 31 HN LEU 31 -11.763 -2.563 11.404 260 HA LEU 31 HA LEU 31 -14.490 -3.300 11.613 261 1HB LEU 31 HB2 LEU 31 -13.160 -1.046 10.120 262 2HB LEU 31 HB1 LEU 31 -14.898 -1.241 10.239 263 HG LEU 31 HG LEU 31 -12.984 -0.726 12.515 264 1HD1 LEU 31 HD11 LEU 31 -15.199 0.936 11.326 265 2HD1 LEU 31 HD12 LEU 31 -13.468 1.235 11.166 266 3HD1 LEU 31 HD13 LEU 31 -14.243 1.360 12.746 267 1HD2 LEU 31 HD21 LEU 31 -15.969 -1.160 12.586 268 2HD2 LEU 31 HD22 LEU 31 -14.967 -0.659 13.948 269 3HD2 LEU 31 HD23 LEU 31 -14.746 -2.255 13.230 270 H TYR 32 HN TYR 32 -12.120 -3.603 9.077 271 HA TYR 32 HA TYR 32 -13.808 -4.123 6.909 272 1HB TYR 32 HB2 TYR 32 -11.385 -3.846 6.659 273 2HB TYR 32 HB1 TYR 32 -11.108 -5.339 7.549 274 HD1 TYR 32 HD1 TYR 32 -12.561 -3.969 4.418 275 HD2 TYR 32 HD2 TYR 32 -11.097 -7.415 6.440 276 HE1 TYR 32 HE1 TYR 32 -12.612 -5.224 2.304 277 HE2 TYR 32 HE2 TYR 32 -11.151 -8.681 4.332 278 HH TYR 32 HH TYR 32 -12.208 -8.640 2.179 279 H GLU 33 HN GLU 33 -12.472 -6.357 9.339 280 HA GLU 33 HA GLU 33 -13.898 -8.591 8.262 281 1HB GLU 33 HB2 GLU 33 -12.517 -8.245 10.926 282 2HB GLU 33 HB1 GLU 33 -13.143 -9.769 10.303 283 1HG GLU 33 HG2 GLU 33 -11.630 -9.446 8.319 284 2HG GLU 33 HG1 GLU 33 -10.887 -8.116 9.208 285 H TYR 34 HN TYR 34 -14.412 -6.327 10.899 286 HA TYR 34 HA TYR 34 -16.626 -7.482 12.115 287 1HB TYR 34 HB2 TYR 34 -15.531 -5.560 13.090 288 2HB TYR 34 HB1 TYR 34 -15.943 -4.565 11.699 289 HD1 TYR 34 HD1 TYR 34 -17.534 -6.535 14.441 290 HD2 TYR 34 HD2 TYR 34 -17.850 -3.253 11.754 291 HE1 TYR 34 HE1 TYR 34 -19.604 -5.820 15.564 292 HE2 TYR 34 HE2 TYR 34 -19.917 -2.531 12.864 293 HH TYR 34 HH TYR 34 -21.699 -3.462 14.223 294 H LEU 35 HN LEU 35 -16.479 -5.362 9.268 295 HA LEU 35 HA LEU 35 -19.347 -5.531 8.912 296 1HB LEU 35 HB2 LEU 35 -17.211 -4.252 7.210 297 2HB LEU 35 HB1 LEU 35 -18.933 -4.150 6.897 298 HG LEU 35 HG LEU 35 -17.496 -3.041 9.308 299 1HD1 LEU 35 HD11 LEU 35 -17.107 -1.756 7.282 300 2HD1 LEU 35 HD12 LEU 35 -18.153 -0.872 8.394 301 3HD1 LEU 35 HD13 LEU 35 -18.842 -1.677 6.985 302 1HD2 LEU 35 HD21 LEU 35 -20.422 -2.945 8.570 303 2HD2 LEU 35 HD22 LEU 35 -19.669 -2.084 9.915 304 3HD2 LEU 35 HD23 LEU 35 -19.715 -3.847 9.911 305 H ASN 36 HN ASN 36 -16.551 -7.217 7.858 306 HA ASN 36 HA ASN 36 -17.494 -8.375 5.478 307 1HB ASN 36 HB2 ASN 36 -15.155 -8.555 6.244 308 2HB ASN 36 HB1 ASN 36 -15.669 -9.571 7.584 309 1HD2 ASN 36 HD21 ASN 36 -14.316 -11.238 6.918 310 2HD2 ASN 36 HD22 ASN 36 -14.677 -12.219 5.539 311 H GLU 37 HN GLU 37 -18.116 -9.060 8.843 312 HA GLU 37 HA GLU 37 -19.591 -11.484 8.307 313 1HB GLU 37 HB2 GLU 37 -19.541 -9.839 10.838 314 2HB GLU 37 HB1 GLU 37 -20.041 -11.518 10.678 315 1HG GLU 37 HG2 GLU 37 -17.748 -12.123 10.051 316 2HG GLU 37 HG1 GLU 37 -17.262 -10.442 10.266 317 H ASN 38 HN ASN 38 -20.344 -8.346 7.688 318 HA ASN 38 HA ASN 38 -23.206 -8.785 8.244 319 1HB ASN 38 HB2 ASN 38 -21.593 -6.248 8.455 320 2HB ASN 38 HB1 ASN 38 -23.345 -6.220 8.284 321 1HD2 ASN 38 HD21 ASN 38 -20.678 -6.987 10.371 322 2HD2 ASN 38 HD22 ASN 38 -21.611 -7.215 11.807 323 HA PRO 39 HA PRO 39 -23.198 -8.651 3.802 324 1HB PRO 39 HB2 PRO 39 -25.697 -9.552 3.434 325 2HB PRO 39 HB1 PRO 39 -24.405 -10.604 4.023 326 1HG PRO 39 HG2 PRO 39 -26.577 -9.233 5.555 327 2HG PRO 39 HG1 PRO 39 -25.963 -10.888 5.719 328 1HD PRO 39 HD2 PRO 39 -25.222 -8.812 7.350 329 2HD PRO 39 HD1 PRO 39 -24.210 -10.235 7.036 330 H TYR 40 HN TYR 40 -23.578 -6.107 5.070 331 HA TYR 40 HA TYR 40 -25.825 -4.989 3.518 332 1HB TYR 40 HB2 TYR 40 -24.128 -3.586 5.589 333 2HB TYR 40 HB1 TYR 40 -25.601 -2.981 4.848 334 HD1 TYR 40 HD1 TYR 40 -27.737 -4.501 5.265 335 HD2 TYR 40 HD2 TYR 40 -24.233 -4.504 7.675 336 HE1 TYR 40 HE1 TYR 40 -29.042 -5.373 7.156 337 HE2 TYR 40 HE2 TYR 40 -25.522 -5.383 9.568 338 HH TYR 40 HH TYR 40 -27.882 -5.410 10.330 339 H PHE 41 HN PHE 41 -22.515 -5.462 3.394 340 HA PHE 41 HA PHE 41 -22.032 -2.992 1.873 341 1HB PHE 41 HB2 PHE 41 -20.040 -4.388 3.676 342 2HB PHE 41 HB1 PHE 41 -19.819 -2.857 2.841 343 HD1 PHE 41 HD2 PHE 41 -21.640 -4.534 5.583 344 HD2 PHE 41 HD1 PHE 41 -20.539 -0.830 3.802 345 HE1 PHE 41 HE2 PHE 41 -22.432 -3.342 7.582 346 HE2 PHE 41 HE1 PHE 41 -21.323 0.367 5.801 347 HZ PHE 41 HZ PHE 41 -22.273 -0.887 7.695 348 H ILE 42 HN ILE 42 -20.633 -3.126 0.135 349 HA ILE 42 HA ILE 42 -19.538 -5.773 -0.520 350 HB ILE 42 HB ILE 42 -19.778 -3.253 -2.176 351 1HG1 ILE 42 HG12 ILE 42 -21.787 -4.638 -2.033 352 2HG1 ILE 42 HG11 ILE 42 -21.114 -4.675 -3.658 353 1HG2 ILE 42 HG21 ILE 42 -17.594 -4.243 -2.610 354 2HG2 ILE 42 HG22 ILE 42 -18.664 -4.459 -3.996 355 3HG2 ILE 42 HG23 ILE 42 -18.348 -5.809 -2.905 356 1HD1 ILE 42 HD11 ILE 42 -20.805 -6.815 -1.566 357 2HD1 ILE 42 HD12 ILE 42 -20.123 -6.855 -3.191 358 3HD1 ILE 42 HD13 ILE 42 -21.873 -6.871 -2.969 359 H LEU 43 HN LEU 43 -17.656 -6.104 0.454 360 HA LEU 43 HA LEU 43 -16.013 -3.815 1.152 361 1HB LEU 43 HB2 LEU 43 -15.751 -6.729 1.883 362 2HB LEU 43 HB1 LEU 43 -14.671 -5.462 2.433 363 HG LEU 43 HG LEU 43 -17.039 -4.429 3.220 364 1HD1 LEU 43 HD11 LEU 43 -18.344 -6.331 2.486 365 2HD1 LEU 43 HD12 LEU 43 -18.360 -6.217 4.246 366 3HD1 LEU 43 HD13 LEU 43 -17.341 -7.415 3.449 367 1HD2 LEU 43 HD21 LEU 43 -15.340 -6.389 4.743 368 2HD2 LEU 43 HD22 LEU 43 -16.486 -5.255 5.455 369 3HD2 LEU 43 HD23 LEU 43 -15.066 -4.652 4.599 370 H THR 44 HN THR 44 -14.441 -3.166 -0.048 371 HA THR 44 HA THR 44 -13.528 -4.879 -2.237 372 HB THR 44 HB THR 44 -13.065 -1.909 -1.948 373 HG1 THR 44 HG1 THR 44 -15.398 -3.230 -2.370 374 1HG2 THR 44 HG21 THR 44 -12.872 -1.993 -4.384 375 2HG2 THR 44 HG22 THR 44 -13.194 -3.726 -4.359 376 3HG2 THR 44 HG23 THR 44 -11.717 -3.092 -3.631 377 H GLN 45 HN GLN 45 -11.676 -5.892 -1.886 378 HA GLN 45 HA GLN 45 -9.704 -4.769 -0.066 379 1HB GLN 45 HB2 GLN 45 -8.483 -6.931 -0.532 380 2HB GLN 45 HB1 GLN 45 -10.053 -7.104 0.236 381 1HG GLN 45 HG2 GLN 45 -11.024 -7.608 -1.992 382 2HG GLN 45 HG1 GLN 45 -9.397 -7.570 -2.665 383 1HE2 GLN 45 HE21 GLN 45 -8.250 -8.791 -0.253 384 2HE2 GLN 45 HE22 GLN 45 -8.671 -10.463 -0.329 385 H GLU 46 HN GLU 46 -8.264 -3.387 -0.809 386 HA GLU 46 HA GLU 46 -7.888 -3.259 -3.711 387 1HB GLU 46 HB2 GLU 46 -7.544 -1.191 -1.544 388 2HB GLU 46 HB1 GLU 46 -7.086 -0.923 -3.222 389 1HG GLU 46 HG2 GLU 46 -9.858 -1.647 -2.309 390 2HG GLU 46 HG1 GLU 46 -9.303 -0.001 -2.620 391 H LEU 47 HN LEU 47 -5.848 -2.804 -4.585 392 HA LEU 47 HA LEU 47 -3.963 -4.653 -3.524 393 1HB LEU 47 HB2 LEU 47 -3.734 -2.822 -5.909 394 2HB LEU 47 HB1 LEU 47 -2.700 -4.195 -5.563 395 HG LEU 47 HG LEU 47 -5.656 -4.371 -6.148 396 1HD1 LEU 47 HD11 LEU 47 -4.951 -5.306 -8.298 397 2HD1 LEU 47 HD12 LEU 47 -3.269 -4.961 -7.891 398 3HD1 LEU 47 HD13 LEU 47 -4.416 -3.638 -8.101 399 1HD2 LEU 47 HD21 LEU 47 -3.542 -6.502 -5.858 400 2HD2 LEU 47 HD22 LEU 47 -5.213 -6.770 -6.352 401 3HD2 LEU 47 HD23 LEU 47 -4.858 -6.177 -4.729 402 H ASN 48 HN ASN 48 -2.268 -4.291 -2.286 403 HA ASN 48 HA ASN 48 -0.983 -1.640 -2.290 404 1HB ASN 48 HB2 ASN 48 -0.857 -4.006 -0.426 405 2HB ASN 48 HB1 ASN 48 0.433 -2.812 -0.436 406 1HD2 ASN 48 HD21 ASN 48 0.020 -2.231 1.663 407 2HD2 ASN 48 HD22 ASN 48 -1.353 -1.278 2.110 408 H ASN 49 HN ASN 49 -1.029 -4.208 -4.095 409 HA ASN 49 HA ASN 49 1.654 -5.208 -4.009 410 1HB ASN 49 HB2 ASN 49 -0.518 -5.719 -6.054 411 2HB ASN 49 HB1 ASN 49 0.932 -6.687 -5.801 412 1HD2 ASN 49 HD21 ASN 49 1.002 -8.136 -4.136 413 2HD2 ASN 49 HD22 ASN 49 -0.362 -8.505 -3.133 414 H GLN 50 HN GLN 50 0.218 -2.543 -5.505 415 HA GLN 50 HA GLN 50 1.694 -2.598 -7.944 416 1HB GLN 50 HB2 GLN 50 0.936 -0.233 -8.194 417 2HB GLN 50 HB1 GLN 50 -0.365 -1.385 -7.947 418 1HG GLN 50 HG2 GLN 50 -0.618 -0.698 -5.664 419 2HG GLN 50 HG1 GLN 50 0.808 0.334 -5.775 420 1HE2 GLN 50 HE21 GLN 50 0.692 2.255 -6.958 421 2HE2 GLN 50 HE22 GLN 50 -0.828 2.984 -7.349 422 H LYS 51 HN LYS 51 3.821 -2.903 -7.393 423 HA LYS 51 HA LYS 51 5.166 -0.452 -6.519 424 1HB LYS 51 HB2 LYS 51 5.556 -3.212 -5.419 425 2HB LYS 51 HB1 LYS 51 6.918 -2.098 -5.475 426 1HG LYS 51 HG2 LYS 51 5.655 -0.483 -4.150 427 2HG LYS 51 HG1 LYS 51 4.288 -1.596 -4.099 428 1HD LYS 51 HD2 LYS 51 5.481 -3.152 -2.783 429 2HD LYS 51 HD1 LYS 51 7.017 -2.334 -3.079 430 1HE LYS 51 HE2 LYS 51 6.158 -1.876 -0.829 431 2HE LYS 51 HE1 LYS 51 6.270 -0.411 -1.802 432 1HZ LYS 51 HZ1 LYS 51 4.220 -0.350 -0.660 433 2HZ LYS 51 HZ2 LYS 51 3.820 -1.937 -1.104 434 3HZ LYS 51 HZ3 LYS 51 3.843 -0.707 -2.276 435 H ASP 52 HN ASP 52 4.997 -0.543 -8.976 436 HA ASP 52 HA ASP 52 6.890 -2.157 -10.378 437 1HB ASP 52 HB2 ASP 52 4.967 -1.274 -11.557 438 2HB ASP 52 HB1 ASP 52 5.424 0.377 -11.148 439 H ASP 53 HN ASP 53 6.953 0.833 -8.682 440 HA ASP 53 HA ASP 53 8.495 2.430 -8.277 441 1HB ASP 53 HB2 ASP 53 10.321 0.100 -8.836 442 2HB ASP 53 HB1 ASP 53 10.938 1.683 -8.379 443 HA PRO 54 HA PRO 54 9.260 3.576 -12.592 444 1HB PRO 54 HB2 PRO 54 7.510 5.586 -12.764 445 2HB PRO 54 HB1 PRO 54 6.984 3.903 -12.862 446 1HG PRO 54 HG2 PRO 54 6.690 5.848 -10.646 447 2HG PRO 54 HG1 PRO 54 5.667 4.467 -11.075 448 1HD PRO 54 HD2 PRO 54 7.697 4.582 -9.068 449 2HD PRO 54 HD1 PRO 54 6.742 3.171 -9.561 450 H ILE 55 HN ILE 55 10.648 5.087 -13.298 451 HA ILE 55 HA ILE 55 11.949 6.906 -13.489 452 HB ILE 55 HB ILE 55 9.522 7.880 -13.276 453 1HG1 ILE 55 HG12 ILE 55 10.510 10.190 -13.519 454 2HG1 ILE 55 HG11 ILE 55 12.075 9.475 -13.146 455 1HG2 ILE 55 HG21 ILE 55 10.822 9.072 -10.829 456 2HG2 ILE 55 HG22 ILE 55 9.425 7.994 -10.850 457 3HG2 ILE 55 HG23 ILE 55 9.306 9.606 -11.557 458 1HD1 ILE 55 HD11 ILE 55 10.310 8.740 -15.468 459 2HD1 ILE 55 HD12 ILE 55 11.881 8.028 -15.096 460 3HD1 ILE 55 HD13 ILE 55 11.765 9.733 -15.538 461 H ASN 56 HN ASN 56 12.364 5.145 -11.187 462 HA ASN 56 HA ASN 56 13.965 6.968 -9.536 463 1HB ASN 56 HB2 ASN 56 13.231 5.957 -7.469 464 2HB ASN 56 HB1 ASN 56 11.818 6.514 -8.356 465 1HD2 ASN 56 HD21 ASN 56 12.002 4.514 -6.269 466 2HD2 ASN 56 HD22 ASN 56 11.409 3.035 -6.946 467 H TYR 57 HN TYR 57 14.875 5.332 -11.597 468 HA TYR 57 HA TYR 57 16.036 2.973 -10.316 469 1HB TYR 57 HB2 TYR 57 16.200 3.866 -13.203 470 2HB TYR 57 HB1 TYR 57 16.743 2.322 -12.560 471 HD1 TYR 57 HD2 TYR 57 13.817 4.345 -13.455 472 HD2 TYR 57 HD1 TYR 57 15.169 0.562 -12.054 473 HE1 TYR 57 HE2 TYR 57 11.600 3.391 -13.907 474 HE2 TYR 57 HE1 TYR 57 12.952 -0.401 -12.506 475 HH TYR 57 HH TYR 57 10.561 0.492 -12.685 476 H THR 58 HN THR 58 18.311 2.566 -10.416 477 HA THR 58 HA THR 58 20.006 4.658 -9.744 478 HB THR 58 HB THR 58 21.305 2.369 -11.019 479 HG1 THR 58 HG1 THR 58 20.589 1.009 -9.185 480 1HG2 THR 58 HG21 THR 58 21.383 3.527 -8.229 481 2HG2 THR 58 HG22 THR 58 22.484 3.934 -9.547 482 3HG2 THR 58 HG23 THR 58 22.483 2.306 -8.867 483 H GLU 59 HN GLU 59 21.011 6.205 -10.887 484 HA GLU 59 HA GLU 59 20.632 6.427 -13.663 485 1HB GLU 59 HB2 GLU 59 22.323 8.262 -13.558 486 2HB GLU 59 HB1 GLU 59 20.989 8.432 -12.433 487 1HG GLU 59 HG2 GLU 59 22.924 9.092 -11.281 488 2HG GLU 59 HG1 GLU 59 22.510 7.498 -10.659 489 H SER 60 HN SER 60 23.076 4.891 -11.759 490 HA SER 60 HA SER 60 24.927 4.486 -13.867 491 1HB SER 60 HB2 SER 60 25.734 2.604 -12.309 492 2HB SER 60 HB1 SER 60 25.815 4.257 -11.697 493 HG SER 60 HG SER 60 24.526 3.687 -10.154 494 H GLU 61 HN GLU 61 22.034 2.821 -12.727 495 HA GLU 61 HA GLU 61 22.478 0.586 -14.533 496 1HB GLU 61 HB2 GLU 61 19.995 1.436 -13.025 497 2HB GLU 61 HB1 GLU 61 20.145 -0.049 -13.956 498 1HG GLU 61 HG2 GLU 61 21.697 0.702 -11.491 499 2HG GLU 61 HG1 GLU 61 20.439 -0.525 -11.622 500 H LEU 62 HN LEU 62 20.559 3.531 -14.470 501 HA LEU 62 HA LEU 62 19.197 3.217 -16.908 502 1HB LEU 62 HB2 LEU 62 20.087 5.718 -15.475 503 2HB LEU 62 HB1 LEU 62 18.975 5.699 -16.830 504 HG LEU 62 HG LEU 62 18.458 4.316 -14.198 505 1HD1 LEU 62 HD11 LEU 62 17.434 6.960 -15.224 506 2HD1 LEU 62 HD12 LEU 62 18.574 6.733 -13.899 507 3HD1 LEU 62 HD13 LEU 62 16.916 6.154 -13.743 508 1HD2 LEU 62 HD21 LEU 62 17.287 3.330 -16.096 509 2HD2 LEU 62 HD22 LEU 62 16.666 4.917 -16.551 510 3HD2 LEU 62 HD23 LEU 62 16.163 4.174 -15.032 511 H LYS 63 HN LYS 63 22.464 3.959 -16.215 512 HA LYS 63 HA LYS 63 23.164 5.405 -18.532 513 1HB LYS 63 HB2 LYS 63 24.480 4.850 -16.285 514 2HB LYS 63 HB1 LYS 63 25.116 3.533 -17.260 515 1HG LYS 63 HG2 LYS 63 26.655 5.320 -17.426 516 2HG LYS 63 HG1 LYS 63 25.792 5.248 -18.963 517 1HD LYS 63 HD2 LYS 63 25.717 7.501 -18.555 518 2HD LYS 63 HD1 LYS 63 24.212 6.992 -17.793 519 1HE LYS 63 HE2 LYS 63 26.840 7.566 -16.419 520 2HE LYS 63 HE1 LYS 63 25.375 8.539 -16.343 521 1HZ LYS 63 HZ1 LYS 63 25.915 5.918 -15.100 522 2HZ LYS 63 HZ2 LYS 63 24.326 6.445 -15.364 523 3HZ LYS 63 HZ3 LYS 63 25.360 7.350 -14.374 524 H GLY 64 HN GLY 64 22.812 1.993 -17.834 525 1HA GLY 64 HA2 GLY 64 23.805 1.268 -20.493 526 2HA GLY 64 HA1 GLY 64 23.460 0.154 -19.178 527 H MET 65 HN MET 65 20.839 1.570 -18.719 528 HA MET 65 HA MET 65 19.128 -0.102 -20.113 529 1HB MET 65 HB2 MET 65 18.570 2.646 -18.988 530 2HB MET 65 HB1 MET 65 17.327 1.536 -19.541 531 1HG MET 65 HG2 MET 65 19.263 0.988 -17.304 532 2HG MET 65 HG1 MET 65 17.608 1.558 -17.099 533 1HE MET 65 HE1 MET 65 18.585 -0.956 -15.549 534 2HE MET 65 HE2 MET 65 17.262 -2.089 -15.830 535 3HE MET 65 HE3 MET 65 16.915 -0.389 -15.513 536 H ASN 66 HN ASN 66 17.960 0.019 -21.985 537 HA ASN 66 HA ASN 66 19.212 1.675 -24.008 538 1HB ASN 66 HB2 ASN 66 18.078 0.274 -25.629 539 2HB ASN 66 HB1 ASN 66 18.850 -0.733 -24.415 540 1HD2 ASN 66 HD21 ASN 66 17.571 -2.499 -24.712 541 2HD2 ASN 66 HD22 ASN 66 15.891 -2.543 -24.290 542 H LYS 67 HN LYS 67 17.408 2.095 -25.886 543 HA LYS 67 HA LYS 67 16.172 4.477 -25.122 544 1HB LYS 67 HB2 LYS 67 16.870 3.967 -27.414 545 2HB LYS 67 HB1 LYS 67 15.647 2.713 -27.522 546 1HG LYS 67 HG2 LYS 67 13.891 4.389 -27.330 547 2HG LYS 67 HG1 LYS 67 15.111 5.657 -27.182 548 1HD LYS 67 HD2 LYS 67 15.964 5.080 -29.410 549 2HD LYS 67 HD1 LYS 67 14.726 3.833 -29.558 550 1HE LYS 67 HE2 LYS 67 14.124 6.751 -29.128 551 2HE LYS 67 HE1 LYS 67 14.220 6.001 -30.717 552 1HZ LYS 67 HZ1 LYS 67 12.380 4.601 -30.197 553 2HZ LYS 67 HZ2 LYS 67 11.941 6.191 -29.815 554 3HZ LYS 67 HZ3 LYS 67 12.358 5.109 -28.577 555 H ALA 68 HN ALA 68 14.697 1.321 -25.872 556 HA ALA 68 HA ALA 68 12.032 2.111 -25.561 557 1HB ALA 68 HB1 ALA 68 13.208 -0.638 -25.185 558 2HB ALA 68 HB2 ALA 68 12.715 0.070 -26.724 559 3HB ALA 68 HB3 ALA 68 11.510 -0.260 -25.480 560 H GLU 69 HN GLU 69 14.328 0.777 -23.232 561 HA GLU 69 HA GLU 69 12.493 0.397 -21.127 562 1HB GLU 69 HB2 GLU 69 15.469 0.923 -21.022 563 2HB GLU 69 HB1 GLU 69 14.498 0.342 -19.674 564 1HG GLU 69 HG2 GLU 69 13.976 -1.682 -20.856 565 2HG GLU 69 HG1 GLU 69 14.792 -1.095 -22.301 566 H HIS 70 HN HIS 70 14.766 3.089 -21.735 567 HA HIS 70 HA HIS 70 13.933 4.792 -19.713 568 1HB HIS 70 HB2 HIS 70 15.075 5.299 -22.444 569 2HB HIS 70 HB1 HIS 70 14.595 6.642 -21.413 570 HD1 HIS 70 HD1 HIS 70 16.276 7.422 -19.769 571 HD2 HIS 70 HD2 HIS 70 17.146 3.626 -21.207 572 HE1 HIS 70 HE1 HIS 70 18.543 6.862 -18.859 573 HE2 HIS 70 HE2 HIS 70 19.128 4.643 -19.892 574 H GLU 71 HN GLU 71 12.607 4.368 -22.973 575 HA GLU 71 HA GLU 71 10.755 6.461 -22.867 576 1HB GLU 71 HB2 GLU 71 10.683 3.870 -24.407 577 2HB GLU 71 HB1 GLU 71 9.520 5.169 -24.633 578 1HG GLU 71 HG2 GLU 71 11.385 6.681 -25.223 579 2HG GLU 71 HG1 GLU 71 12.489 5.312 -25.107 580 H SER 72 HN SER 72 10.409 3.059 -21.946 581 HA SER 72 HA SER 72 7.682 3.240 -21.243 582 1HB SER 72 HB2 SER 72 8.969 1.111 -21.654 583 2HB SER 72 HB1 SER 72 9.719 1.332 -20.073 584 HG SER 72 HG SER 72 6.921 1.427 -20.254 585 H ILE 73 HN ILE 73 10.662 3.573 -19.359 586 HA ILE 73 HA ILE 73 9.593 3.750 -16.804 587 HB ILE 73 HB ILE 73 12.032 5.125 -17.936 588 1HG1 ILE 73 HG12 ILE 73 11.804 2.635 -16.235 589 2HG1 ILE 73 HG11 ILE 73 11.974 2.621 -17.987 590 1HG2 ILE 73 HG21 ILE 73 11.305 6.287 -15.928 591 2HG2 ILE 73 HG22 ILE 73 12.781 5.373 -15.610 592 3HG2 ILE 73 HG23 ILE 73 11.223 4.758 -15.051 593 1HD1 ILE 73 HD11 ILE 73 14.097 2.208 -16.901 594 2HD1 ILE 73 HD12 ILE 73 13.965 3.733 -16.025 595 3HD1 ILE 73 HD13 ILE 73 14.139 3.736 -17.781 596 H ILE 74 HN ILE 74 10.381 6.471 -18.997 597 HA ILE 74 HA ILE 74 9.417 8.357 -17.067 598 HB ILE 74 HB ILE 74 9.865 9.147 -19.919 599 1HG1 ILE 74 HG12 ILE 74 12.059 8.620 -17.892 600 2HG1 ILE 74 HG11 ILE 74 11.744 7.627 -19.312 601 1HG2 ILE 74 HG21 ILE 74 9.108 10.807 -18.318 602 2HG2 ILE 74 HG22 ILE 74 10.773 11.151 -18.793 603 3HG2 ILE 74 HG23 ILE 74 10.437 10.392 -17.232 604 1HD1 ILE 74 HD11 ILE 74 12.585 10.518 -19.334 605 2HD1 ILE 74 HD12 ILE 74 12.275 9.519 -20.754 606 3HD1 ILE 74 HD13 ILE 74 13.614 9.128 -19.677 607 H SER 75 HN SER 75 8.035 6.703 -19.805 608 HA SER 75 HA SER 75 5.765 8.410 -20.047 609 1HB SER 75 HB2 SER 75 6.113 5.520 -20.879 610 2HB SER 75 HB1 SER 75 4.774 6.566 -21.360 611 HG SER 75 HG SER 75 7.441 6.570 -22.178 612 H ASN 76 HN ASN 76 6.605 5.692 -18.011 613 HA ASN 76 HA ASN 76 4.026 5.365 -16.853 614 1HB ASN 76 HB2 ASN 76 6.790 4.709 -15.814 615 2HB ASN 76 HB1 ASN 76 5.319 4.351 -14.918 616 1HD2 ASN 76 HD21 ASN 76 7.302 2.509 -15.906 617 2HD2 ASN 76 HD22 ASN 76 6.482 1.440 -16.992 618 H LEU 77 HN LEU 77 6.770 7.456 -16.234 619 HA LEU 77 HA LEU 77 5.768 8.707 -13.899 620 1HB LEU 77 HB2 LEU 77 8.098 8.938 -14.569 621 2HB LEU 77 HB1 LEU 77 7.616 9.752 -16.046 622 HG LEU 77 HG LEU 77 6.633 11.574 -14.591 623 1HD1 LEU 77 HD11 LEU 77 6.462 10.329 -12.519 624 2HD1 LEU 77 HD12 LEU 77 7.503 11.737 -12.305 625 3HD1 LEU 77 HD13 LEU 77 8.215 10.132 -12.472 626 1HD2 LEU 77 HD21 LEU 77 8.799 12.628 -14.185 627 2HD2 LEU 77 HD22 LEU 77 8.752 11.838 -15.761 628 3HD2 LEU 77 HD23 LEU 77 9.601 11.075 -14.417 629 H GLY 78 HN GLY 78 5.350 9.325 -17.346 630 1HA GLY 78 HA2 GLY 78 3.035 10.081 -17.894 631 2HA GLY 78 HA1 GLY 78 3.262 11.293 -16.643 632 H ARG 79 HN ARG 79 5.965 10.543 -18.669 633 HA ARG 79 HA ARG 79 5.324 12.675 -20.539 634 1HB ARG 79 HB2 ARG 79 6.396 13.922 -18.790 635 2HB ARG 79 HB1 ARG 79 7.713 12.762 -18.699 636 1HG ARG 79 HG2 ARG 79 8.722 13.549 -20.605 637 2HG ARG 79 HG1 ARG 79 7.216 14.189 -21.267 638 1HD ARG 79 HD2 ARG 79 8.543 15.325 -18.819 639 2HD ARG 79 HD1 ARG 79 8.897 15.894 -20.451 640 HE ARG 79 HE ARG 79 6.279 16.171 -20.452 641 1HH1 ARG 79 HH11 ARG 79 8.463 16.844 -17.794 642 2HH1 ARG 79 HH12 ARG 79 7.567 18.231 -17.246 643 1HH2 ARG 79 HH21 ARG 79 5.095 17.977 -19.728 644 2HH2 ARG 79 HH22 ARG 79 5.623 18.843 -18.316 645 H ASN 80 HN ASN 80 5.912 12.153 -22.502 646 HA ASN 80 HA ASN 80 7.412 9.740 -22.977 647 1HB ASN 80 HB2 ASN 80 6.233 11.749 -24.914 648 2HB ASN 80 HB1 ASN 80 6.911 10.189 -25.360 649 1HD2 ASN 80 HD21 ASN 80 5.829 8.719 -23.150 650 2HD2 ASN 80 HD22 ASN 80 4.125 8.597 -23.418 651 HA PRO 81 HA PRO 81 11.223 11.949 -23.561 652 1HB PRO 81 HB2 PRO 81 12.626 9.697 -24.462 653 2HB PRO 81 HB1 PRO 81 12.457 10.227 -22.789 654 1HG PRO 81 HG2 PRO 81 11.382 7.897 -23.971 655 2HG PRO 81 HG1 PRO 81 11.082 8.509 -22.337 656 1HD PRO 81 HD2 PRO 81 9.400 8.691 -24.761 657 2HD PRO 81 HD1 PRO 81 8.934 8.751 -23.049 658 H SER 82 HN SER 82 9.458 12.317 -25.677 659 HA SER 82 HA SER 82 10.900 11.729 -28.122 660 1HB SER 82 HB2 SER 82 9.044 13.197 -29.111 661 2HB SER 82 HB1 SER 82 8.540 11.680 -28.364 662 HG SER 82 HG SER 82 8.127 14.310 -27.542 663 H ASP 83 HN ASP 83 10.259 14.417 -25.967 664 HA ASP 83 HA ASP 83 11.558 16.443 -27.449 665 1HB ASP 83 HB2 ASP 83 11.155 16.185 -24.456 666 2HB ASP 83 HB1 ASP 83 11.658 17.654 -25.285 667 H PHE 84 HN PHE 84 12.655 14.045 -25.156 668 HA PHE 84 HA PHE 84 15.400 15.040 -25.293 669 1HB PHE 84 HB2 PHE 84 14.352 12.690 -23.701 670 2HB PHE 84 HB1 PHE 84 15.876 13.539 -23.474 671 HD1 PHE 84 HD2 PHE 84 15.816 15.925 -22.644 672 HD2 PHE 84 HD1 PHE 84 12.406 13.378 -22.612 673 HE1 PHE 84 HE2 PHE 84 14.735 17.396 -20.996 674 HE2 PHE 84 HE1 PHE 84 11.318 14.848 -20.966 675 HZ PHE 84 HZ PHE 84 12.483 16.859 -20.156 676 H LYS 85 HN LYS 85 16.505 14.346 -27.016 677 HA LYS 85 HA LYS 85 15.713 11.825 -28.272 678 1HB LYS 85 HB2 LYS 85 15.846 13.833 -29.676 679 2HB LYS 85 HB1 LYS 85 17.540 14.027 -29.249 680 1HG LYS 85 HG2 LYS 85 18.091 11.957 -30.378 681 2HG LYS 85 HG1 LYS 85 16.386 11.681 -30.745 682 1HD LYS 85 HD2 LYS 85 17.969 14.070 -31.680 683 2HD LYS 85 HD1 LYS 85 17.683 12.622 -32.647 684 1HE LYS 85 HE2 LYS 85 15.310 13.003 -32.612 685 2HE LYS 85 HE1 LYS 85 15.500 14.347 -31.486 686 1HZ LYS 85 HZ1 LYS 85 16.703 14.327 -34.195 687 2HZ LYS 85 HZ2 LYS 85 16.536 15.647 -33.142 688 3HZ LYS 85 HZ3 LYS 85 15.165 14.965 -33.875 689 H ASN 86 HN ASN 86 18.295 13.243 -26.478 690 HA ASN 86 HA ASN 86 20.077 11.005 -27.107 691 1HB ASN 86 HB2 ASN 86 20.998 13.294 -27.272 692 2HB ASN 86 HB1 ASN 86 20.627 13.558 -25.573 693 1HD2 ASN 86 HD21 ASN 86 21.884 10.592 -26.966 694 2HD2 ASN 86 HD22 ASN 86 23.402 10.638 -26.135 695 H ALA 87 HN ALA 87 21.040 9.775 -25.419 696 HA ALA 87 HA ALA 87 19.199 8.950 -23.454 697 1HB ALA 87 HB1 ALA 87 20.842 7.454 -24.479 698 2HB ALA 87 HB2 ALA 87 20.937 7.426 -22.719 699 3HB ALA 87 HB3 ALA 87 22.138 8.319 -23.653 700 H ASP 88 HN ASP 88 21.902 11.183 -23.327 701 HA ASP 88 HA ASP 88 22.441 11.105 -20.590 702 1HB ASP 88 HB2 ASP 88 23.903 12.253 -22.188 703 2HB ASP 88 HB1 ASP 88 22.667 13.482 -22.447 704 H GLU 89 HN GLU 89 20.399 13.472 -22.317 705 HA GLU 89 HA GLU 89 19.327 14.682 -20.033 706 1HB GLU 89 HB2 GLU 89 17.321 15.113 -21.718 707 2HB GLU 89 HB1 GLU 89 18.854 15.957 -21.862 708 1HG GLU 89 HG2 GLU 89 18.536 13.402 -23.336 709 2HG GLU 89 HG1 GLU 89 17.673 14.821 -23.929 710 H ARG 90 HN ARG 90 18.348 11.782 -21.753 711 HA ARG 90 HA ARG 90 15.865 11.417 -20.456 712 1HB ARG 90 HB2 ARG 90 17.761 9.413 -21.691 713 2HB ARG 90 HB1 ARG 90 16.151 9.010 -21.110 714 1HG ARG 90 HG2 ARG 90 15.147 10.490 -22.722 715 2HG ARG 90 HG1 ARG 90 16.738 11.032 -23.257 716 1HD ARG 90 HD2 ARG 90 17.259 8.790 -24.039 717 2HD ARG 90 HD1 ARG 90 15.700 8.208 -23.452 718 HE ARG 90 HE ARG 90 14.960 10.177 -25.118 719 1HH1 ARG 90 HH11 ARG 90 17.226 7.532 -25.570 720 2HH1 ARG 90 HH12 ARG 90 16.934 7.424 -27.272 721 1HH2 ARG 90 HH21 ARG 90 14.578 10.021 -27.342 722 2HH2 ARG 90 HH22 ARG 90 15.436 8.840 -28.292 723 H ILE 91 HN ILE 91 19.133 10.264 -19.707 724 HA ILE 91 HA ILE 91 18.430 8.846 -17.358 725 HB ILE 91 HB ILE 91 21.072 10.132 -18.085 726 1HG1 ILE 91 HG12 ILE 91 20.156 7.267 -18.423 727 2HG1 ILE 91 HG11 ILE 91 20.212 8.455 -19.722 728 1HG2 ILE 91 HG21 ILE 91 22.058 8.554 -16.488 729 2HG2 ILE 91 HG22 ILE 91 20.444 7.993 -16.051 730 3HG2 ILE 91 HG23 ILE 91 20.927 9.653 -15.700 731 1HD1 ILE 91 HD11 ILE 91 22.571 7.454 -18.142 732 2HD1 ILE 91 HD12 ILE 91 22.628 8.639 -19.446 733 3HD1 ILE 91 HD13 ILE 91 22.137 6.980 -19.785 734 H ALA 92 HN ALA 92 19.556 12.141 -17.949 735 HA ALA 92 HA ALA 92 19.812 12.947 -15.273 736 1HB ALA 92 HB1 ALA 92 19.824 15.218 -16.146 737 2HB ALA 92 HB2 ALA 92 19.201 14.639 -17.692 738 3HB ALA 92 HB3 ALA 92 20.809 14.154 -17.151 739 H TYR 93 HN TYR 93 17.069 13.090 -17.505 740 HA TYR 93 HA TYR 93 15.380 14.625 -15.852 741 1HB TYR 93 HB2 TYR 93 15.039 14.177 -18.312 742 2HB TYR 93 HB1 TYR 93 14.491 12.561 -17.877 743 HD1 TYR 93 HD2 TYR 93 13.728 16.158 -17.602 744 HD2 TYR 93 HD1 TYR 93 12.283 12.199 -17.027 745 HE1 TYR 93 HE2 TYR 93 11.460 17.042 -17.268 746 HE2 TYR 93 HE1 TYR 93 10.009 13.073 -16.691 747 HH TYR 93 HH TYR 93 8.958 15.259 -15.948 748 H ILE 94 HN ILE 94 15.814 11.123 -16.204 749 HA ILE 94 HA ILE 94 13.813 10.418 -14.298 750 HB ILE 94 HB ILE 94 16.224 8.796 -15.162 751 1HG1 ILE 94 HG12 ILE 94 13.401 8.785 -16.260 752 2HG1 ILE 94 HG11 ILE 94 14.787 9.512 -17.060 753 1HG2 ILE 94 HG21 ILE 94 15.204 7.963 -13.117 754 2HG2 ILE 94 HG22 ILE 94 14.880 6.863 -14.457 755 3HG2 ILE 94 HG23 ILE 94 13.619 7.958 -13.890 756 1HD1 ILE 94 HD11 ILE 94 14.258 7.337 -18.024 757 2HD1 ILE 94 HD12 ILE 94 14.442 6.579 -16.443 758 3HD1 ILE 94 HD13 ILE 94 15.837 7.304 -17.240 759 H LEU 95 HN LEU 95 17.286 10.957 -14.151 760 HA LEU 95 HA LEU 95 17.808 10.120 -11.546 761 1HB LEU 95 HB2 LEU 95 19.259 11.196 -13.583 762 2HB LEU 95 HB1 LEU 95 19.218 12.546 -12.468 763 HG LEU 95 HG LEU 95 20.347 9.798 -11.940 764 1HD1 LEU 95 HD11 LEU 95 21.746 11.226 -13.323 765 2HD1 LEU 95 HD12 LEU 95 22.457 11.004 -11.724 766 3HD1 LEU 95 HD13 LEU 95 21.638 12.514 -12.123 767 1HD2 LEU 95 HD21 LEU 95 20.174 12.157 -10.070 768 2HD2 LEU 95 HD22 LEU 95 21.018 10.639 -9.757 769 3HD2 LEU 95 HD23 LEU 95 19.263 10.654 -9.924 770 H LYS 96 HN LYS 96 16.760 13.293 -12.753 771 HA LYS 96 HA LYS 96 16.965 14.490 -10.164 772 1HB LYS 96 HB2 LYS 96 15.926 15.477 -12.800 773 2HB LYS 96 HB1 LYS 96 15.790 16.435 -11.329 774 1HG LYS 96 HG2 LYS 96 18.299 16.110 -11.072 775 2HG LYS 96 HG1 LYS 96 18.280 15.537 -12.741 776 1HD LYS 96 HD2 LYS 96 17.542 17.619 -13.555 777 2HD LYS 96 HD1 LYS 96 17.086 18.174 -11.942 778 1HE LYS 96 HE2 LYS 96 19.531 18.010 -11.333 779 2HE LYS 96 HE1 LYS 96 19.855 17.777 -13.051 780 1HZ LYS 96 HZ1 LYS 96 20.035 20.116 -12.184 781 2HZ LYS 96 HZ2 LYS 96 18.346 20.108 -12.018 782 3HZ LYS 96 HZ3 LYS 96 19.049 19.914 -13.548 783 H GLN 97 HN GLN 97 14.629 12.476 -11.442 784 HA GLN 97 HA GLN 97 12.410 13.652 -10.007 785 1HB GLN 97 HB2 GLN 97 12.693 10.821 -11.038 786 2HB GLN 97 HB1 GLN 97 11.203 11.615 -10.547 787 1HG GLN 97 HG2 GLN 97 12.918 12.334 -12.907 788 2HG GLN 97 HG1 GLN 97 11.361 11.512 -12.950 789 1HE2 GLN 97 HE21 GLN 97 12.264 14.008 -14.167 790 2HE2 GLN 97 HE22 GLN 97 11.160 15.234 -13.618 791 H ILE 98 HN ILE 98 14.936 11.336 -9.508 792 HA ILE 98 HA ILE 98 14.067 10.433 -6.935 793 HB ILE 98 HB ILE 98 16.872 10.421 -8.072 794 1HG1 ILE 98 HG12 ILE 98 14.746 8.276 -8.267 795 2HG1 ILE 98 HG11 ILE 98 15.229 9.336 -9.588 796 1HG2 ILE 98 HG21 ILE 98 16.793 9.992 -5.685 797 2HG2 ILE 98 HG22 ILE 98 17.212 8.519 -6.557 798 3HG2 ILE 98 HG23 ILE 98 15.578 8.738 -5.930 799 1HD1 ILE 98 HD11 ILE 98 16.264 7.148 -9.779 800 2HD1 ILE 98 HD12 ILE 98 16.998 7.345 -8.189 801 3HD1 ILE 98 HD13 ILE 98 17.479 8.399 -9.518 802 H ASP 99 HN ASP 99 16.094 13.001 -8.177 803 HA ASP 99 HA ASP 99 17.087 13.859 -5.637 804 1HB ASP 99 HB2 ASP 99 18.323 14.346 -7.688 805 2HB ASP 99 HB1 ASP 99 16.972 15.296 -8.299 806 H ASN 100 HN ASN 100 14.464 14.909 -7.773 807 HA ASN 100 HA ASN 100 13.549 16.732 -5.657 808 1HB ASN 100 HB2 ASN 100 13.905 17.688 -7.934 809 2HB ASN 100 HB1 ASN 100 12.655 16.610 -8.545 810 1HD2 ASN 100 HD21 ASN 100 11.408 18.351 -9.222 811 2HD2 ASN 100 HD22 ASN 100 10.533 19.344 -8.107 812 H LYS 101 HN LYS 101 12.883 14.745 -4.519 813 HA LYS 101 HA LYS 101 10.327 13.696 -5.523 814 1HB LYS 101 HB2 LYS 101 10.763 11.765 -3.970 815 2HB LYS 101 HB1 LYS 101 11.883 11.900 -5.318 816 1HG LYS 101 HG2 LYS 101 13.548 12.897 -3.853 817 2HG LYS 101 HG1 LYS 101 12.420 12.810 -2.498 818 1HD LYS 101 HD2 LYS 101 12.395 10.386 -2.639 819 2HD LYS 101 HD1 LYS 101 13.446 10.439 -4.059 820 1HE LYS 101 HE2 LYS 101 15.224 11.431 -2.732 821 2HE LYS 101 HE1 LYS 101 14.175 11.461 -1.315 822 1HZ LYS 101 HZ1 LYS 101 15.115 9.017 -2.731 823 2HZ LYS 101 HZ2 LYS 101 14.094 9.041 -1.375 824 3HZ LYS 101 HZ3 LYS 101 15.690 9.591 -1.244 825 H GLY 102 HN GLY 102 8.630 14.571 -4.582 826 1HA GLY 102 HA2 GLY 102 7.314 14.525 -2.519 827 2HA GLY 102 HA1 GLY 102 8.765 15.022 -1.663 828 H GLU 103 HN GLU 103 5.910 16.038 -3.061 829 HA GLU 103 HA GLU 103 6.800 18.817 -3.325 830 1HB GLU 103 HB2 GLU 103 4.115 17.568 -3.961 831 2HB GLU 103 HB1 GLU 103 4.595 19.221 -4.322 832 1HG GLU 103 HG2 GLU 103 6.289 18.423 -5.860 833 2HG GLU 103 HG1 GLU 103 5.899 16.754 -5.454 834 H LEU 104 HN LEU 104 6.848 17.672 -0.791 835 HA LEU 104 HA LEU 104 4.464 18.585 0.629 836 1HB LEU 104 HB2 LEU 104 6.933 17.225 1.717 837 2HB LEU 104 HB1 LEU 104 5.414 17.467 2.559 838 HG LEU 104 HG LEU 104 5.783 15.709 0.127 839 1HD1 LEU 104 HD11 LEU 104 6.921 14.790 2.067 840 2HD1 LEU 104 HD12 LEU 104 5.477 13.851 1.689 841 3HD1 LEU 104 HD13 LEU 104 5.461 14.989 3.036 842 1HD2 LEU 104 HD21 LEU 104 3.539 16.643 0.285 843 2HD2 LEU 104 HD22 LEU 104 3.417 16.098 1.957 844 3HD2 LEU 104 HD23 LEU 104 3.526 14.917 0.652 845 H GLU 105 HN GLU 105 4.570 20.156 2.293 846 HA GLU 105 HA GLU 105 6.880 21.949 1.983 847 1HB GLU 105 HB2 GLU 105 4.793 23.522 2.920 848 2HB GLU 105 HB1 GLU 105 5.408 23.462 1.277 849 1HG GLU 105 HG2 GLU 105 3.074 23.211 1.125 850 2HG GLU 105 HG1 GLU 105 3.757 21.613 0.842 851 H HIS 106 HN HIS 106 4.256 21.349 4.374 852 HA HIS 106 HA HIS 106 6.149 22.306 6.418 853 1HB HIS 106 HB2 HIS 106 3.133 22.205 6.410 854 2HB HIS 106 HB1 HIS 106 4.080 22.593 7.842 855 HD1 HIS 106 HD1 HIS 106 4.928 24.961 8.071 856 HD2 HIS 106 HD2 HIS 106 3.324 24.166 4.314 857 HE1 HIS 106 HE1 HIS 106 4.766 27.187 6.913 858 HE2 HIS 106 HE2 HIS 106 3.968 26.659 4.582 859 H HIS 107 HN HIS 107 7.097 20.085 6.208 860 HA HIS 107 HA HIS 107 7.610 18.104 7.190 861 1HB HIS 107 HB2 HIS 107 5.878 19.243 9.389 862 2HB HIS 107 HB1 HIS 107 6.884 17.811 9.565 863 HD1 HIS 107 HD1 HIS 107 6.941 21.257 10.317 864 HD2 HIS 107 HD2 HIS 107 9.751 18.578 8.820 865 HE1 HIS 107 HE1 HIS 107 9.184 22.310 10.747 866 HE2 HIS 107 HE2 HIS 107 10.860 20.568 10.052 867 H HIS 108 HN HIS 108 5.102 18.338 5.580 868 HA HIS 108 HA HIS 108 3.429 17.095 4.791 869 1HB HIS 108 HB2 HIS 108 3.692 14.797 4.601 870 2HB HIS 108 HB1 HIS 108 5.330 15.390 4.790 871 HD1 HIS 108 HD1 HIS 108 2.636 13.551 6.712 872 HD2 HIS 108 HD2 HIS 108 6.733 14.250 6.857 873 HE1 HIS 108 HE1 HIS 108 3.527 11.993 8.470 874 HE2 HIS 108 HE2 HIS 108 6.032 12.268 8.368 875 H HIS 109 HN HIS 109 1.491 15.884 5.194 876 HA HIS 109 HA HIS 109 0.315 16.724 7.722 877 1HB HIS 109 HB2 HIS 109 -0.745 17.085 5.430 878 2HB HIS 109 HB1 HIS 109 -1.047 15.354 5.392 879 HD1 HIS 109 HD1 HIS 109 -2.004 18.449 7.345 880 HD2 HIS 109 HD2 HIS 109 -3.329 14.558 6.696 881 HE1 HIS 109 HE1 HIS 109 -4.287 18.322 8.397 882 HE2 HIS 109 HE2 HIS 109 -5.139 16.021 7.835 883 H HIS 110 HN HIS 110 -0.853 15.271 9.099 884 HA HIS 110 HA HIS 110 0.232 12.547 9.005 885 1HB HIS 110 HB2 HIS 110 -1.051 14.088 11.269 886 2HB HIS 110 HB1 HIS 110 -0.528 12.412 11.386 887 HD1 HIS 110 HD1 HIS 110 2.080 11.983 11.246 888 HD2 HIS 110 HD2 HIS 110 0.945 15.974 11.566 889 HE1 HIS 110 HE1 HIS 110 4.165 13.233 11.884 890 HE2 HIS 110 HE2 HIS 110 3.426 15.617 12.232 891 H HIS 111 HN HIS 111 -2.794 13.671 10.482 892 HA HIS 111 HA HIS 111 -4.485 12.600 8.496 893 1HB HIS 111 HB2 HIS 111 -5.381 10.649 9.569 894 2HB HIS 111 HB1 HIS 111 -3.639 10.450 9.484 895 HD1 HIS 111 HD1 HIS 111 -2.352 10.324 11.703 896 HD2 HIS 111 HD2 HIS 111 -6.444 10.915 12.156 897 HE1 HIS 111 HE1 HIS 111 -2.831 9.921 14.141 898 HE2 HIS 111 HE2 HIS 111 -5.348 10.010 14.314
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